A0A2K5LSC3_CERAT Loading...

E3 ubiquitin-protein ligase TRIM9

AlphaFold DB , UniProt , Accession A0A2K5LSC3, Species CERAT (Cercocebus atys, Sooty mangabey), Gene TRIM9, Length 795 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M48.8Very low76.4Confident146 Ų14689.8 Ų89.872%0.71944%0.435SS*.  0-35.60-171.5174.2-75.500111.5E3 M4 Y158M1-E3 VanDerWaalsContact C-N 3.34Å; M1-E3 PolarHBondContact O-N 3.43Å; M1-M4 WeakPolarHBondContact O-CB 3.38Å; M1-M4 PolarHBondContact O-N 3.33Å; M1-Y158 HydrophobicContact CG-CE2 3.78Å; M1-Y158 PolarHBondContact O-OH 3.3Å; M1-Y158 VanDerWaalsContact O-OH 3.05Å; M1-Y158 HydrophobicContact SD-CE2 4.48Å
2E52.3Low77.3Confident153 Ų15387.1 Ų87.172%0.71543%0.427SS*.THydrogen-bonded Turntrans-65-33.4178.5-66.8163.1143.700113.1M4 E5E2-M4 PolarHBondContact O-N 3.22Å; E2-M4 VanDerWaalsContact O-N 3.13Å; E2-E5 WeakPolarHBondContact O-CB 3.4Å; E2-E5 PolarHBondContact O-N 3.44Å
3E63.9Low78Confident173 Ų17384.8 Ų84.881%0.80843%0.425SS*.Hα-helixtrans-55.7-29172.9-60.816614000113.5M1 E5M1-E3 VanDerWaalsContact C-N 3.34Å; M1-E3 PolarHBondContact O-N 3.43Å; E3-E5 VanDerWaalsContact C-N 3.27Å; E3-E5 PolarHBondContact O-N 3.31Å
4M73.3Confident78.5Confident109 Ų10982.6 Ų82.654%0.53743%0.434SS..Hα-helixtrans-76.6-13.8175.8-178176.4-72.900112.4M1 E2 L8 Y158M1-M4 WeakPolarHBondContact O-CB 3.38Å; M1-M4 PolarHBondContact O-N 3.33Å; E2-M4 PolarHBondContact O-N 3.22Å; E2-M4 VanDerWaalsContact O-N 3.13Å; M4-L8 HydrophobicContact CG-CD1 4.23Å; M4-L8 WeakPolarHBondContact O-CG 3.32Å; M4-Y158 HydrophobicContact CB-CE2 4.07Å; M4-Y158 HydrophobicContact CG-CD2 4.2Å; M4-Y158 HydrophobicContact CG-CE2 4.06Å; M4-Y158 HydrophobicContact SD-CD2 3.89Å; M4-Y158 HydrophobicContact SD-CE2 4.13Å
5E81.4Confident79.2Confident30 Ų3081.3 Ų81.314%0.1444%0.435CS..Hα-helixtrans-73.4-33.8-175.2-154.9174.795.300112.8E2 E3 L8 K9 F16 Y158 K162E2-E5 WeakPolarHBondContact O-CB 3.4Å; E2-E5 PolarHBondContact O-N 3.44Å; E3-E5 VanDerWaalsContact C-N 3.27Å; E3-E5 PolarHBondContact O-N 3.31Å; E5-L8 CarbonylContact O-C 3.56Å; E5-L8 PolarHBondContact O-N 3.38Å; E5-L8 VanDerWaalsContact O-N 3.11Å; E5-K9 WeakPolarHBondContact O-CG 3.46Å; E5-K9 PolarHBondContact O-N 3.03Å; E5-K9 VanDerWaalsContact OE1-CE 3.25Å; E5-K9 WeakPolarHBondContact OE1-CE 3.32Å; E5-K9 IonicContact OE1-NZ 3.01Å; E5-K9 PolarHBondContact OE1-NZ 2.75Å; E5-F16 HydrophobicContact CG-CE1 3.76Å; E5-F16 HydrophobicContact CG-CZ 3.67Å; E5-Y158 HydrophobicContact CB-CE1 4.39Å; E5-Y158 WeakPolarHBondContact CB-OH 3.49Å; E5-Y158 HydrophobicContact CG-CE1 3.95Å; E5-Y158 PolarHBondContact OE2-OH 3.2Å; E5-K162 IonicContact OE2-NZ 3.34Å; E5-K162 PolarHBondContact OE2-NZ 2.86Å
6E82.6Confident79.7Confident117 Ų11779.5 Ų79.555%0.54742%0.422SS..Hα-helixtrans-66.6-41.1178.4-60-47.8118.100111.8L8 K9E6-L8 PolarHBondContact O-N 3.31Å; E6-L8 VanDerWaalsContact O-N 3.09Å; E6-K9 PolarHBondContact O-N 3.4Å; E6-K9 IonicContact OE1-NZ 2.86Å; E6-K9 PolarHBondContact OE1-NZ 2.77Å
7E85.4Confident80.1Confident148 Ų14875.6 Ų75.669%0.69240%0.4SS*.THydrogen-bonded Turntrans-59.9-19.9172-66-61.114800113.3
8L88.4Confident80.3Confident7 Ų782.2 Ų82.24%0.03742%0.419CS..THydrogen-bonded Turntrans-101-3.4179.7-60.9179.6000113.3M4 E5 E6 F16 Y17 L151 V154 I155 Y158M4-L8 HydrophobicContact CG-CD1 4.23Å; M4-L8 WeakPolarHBondContact O-CG 3.32Å; E5-L8 CarbonylContact O-C 3.56Å; E5-L8 PolarHBondContact O-N 3.38Å; E5-L8 VanDerWaalsContact O-N 3.11Å; E6-L8 PolarHBondContact O-N 3.31Å; E6-L8 VanDerWaalsContact O-N 3.09Å; L8-F16 HydrophobicContact CB-CD1 3.89Å; L8-F16 HydrophobicContact CB-CE1 3.99Å; L8-F16 WeakPolarHBondContact O-CA 3.24Å; L8-Y17 WeakPolarHBondContact O-CD2 3.47Å; L8-Y17 PolarHBondContact O-N 3.18Å; L8-L151 HydrophobicContact CD2-CD1 3.67Å; L8-V154 HydrophobicContact CD2-CG1 3.73Å; L8-I155 HydrophobicContact CB-CG1 4.15Å; L8-I155 HydrophobicContact CD2-CG1 3.94Å; L8-I155 HydrophobicContact CG-CG1 4.44Å; L8-Y158 HydrophobicContact CD1-CD1 3.75Å; L8-Y158 HydrophobicContact CD1-CD2 3.7Å; L8-Y158 HydrophobicContact CD1-CE1 4.35Å; L8-Y158 HydrophobicContact CD1-CE2 4.29Å; L8-Y158 HydrophobicContact CD1-CG 3.41Å; L8-Y158 VanDerWaalsContact CD1-CG 3.41Å
9K88.8Confident80.4Confident43 Ų4382.9 Ų82.919%0.18742%0.42CS..BIsolated β-bridgetrans-95143.3176-75.6164.9-177.9157.40111.5E5 E6 Y17E5-K9 WeakPolarHBondContact O-CG 3.46Å; E5-K9 PolarHBondContact O-N 3.03Å; E5-K9 VanDerWaalsContact OE1-CE 3.25Å; E5-K9 WeakPolarHBondContact OE1-CE 3.32Å; E5-K9 IonicContact OE1-NZ 3.01Å; E5-K9 PolarHBondContact OE1-NZ 2.75Å; E6-K9 PolarHBondContact O-N 3.4Å; E6-K9 IonicContact OE1-NZ 2.86Å; E6-K9 PolarHBondContact OE1-NZ 2.77Å; K9-Y17 VanDerWaalsContact C-CE2 3.41Å; K9-Y17 WeakPolarHBondContact O-CE2 3.15Å; K9-Y17 PolarHBondContact O-OH 3.23Å
10C89.2Confident80.8Confident1 Ų178.8 Ų78.81%0.00740%0.399CS..  trans-82.4125.1173.3179.70000110.4V12 C13 G14 S15 Y17 C30C10-V12 PolarHBondContact O-N 2.95Å; C10-C13 PolarHBondContact O-N 3.1Å; C10-C13 VanDerWaalsContact O-N 3.17Å; C10-G14 PolarHBondContact O-N 3.14Å; C10-S15 PolarHBondContact N-O 3.25Å; C10-Y17 HydrophobicContact CB-CD1 3.66Å; C10-Y17 HydrophobicContact CB-CE1 3.61Å; C10-Y17 HydrophobicContact CB-CG 4.24Å; C10-C30 WeakPolarHBondContact CB-SG 3.48Å
11P86.8Confident81.2Confident61 Ų6175 Ų7540%0.39638%0.38SS..THydrogen-bonded Turntrans-63.9-13.1-174.926.9-37.9000114.4Y17 L29 P129 Q130P11-Y17 WeakPolarHBondContact CD-OH 3.4Å; P11-L29 HydrophobicContact CG-CD2 4.11Å; P11-P129 HydrophobicContact CB-CG 4.31Å; P11-P129 HydrophobicContact CG-CG 3.78Å; P11-Q130 HydrophobicContact CB-CG 4.18Å; P11-Q130 HydrophobicContact CG-CG 3.94Å
12V86.4Confident83.1Confident57 Ų5770.8 Ų70.835%0.34536%0.36SS..THydrogen-bonded Turntrans-93.9-24.6-179.5-178.30000112.9C10 L29 C33 I37 P129C10-V12 PolarHBondContact O-N 2.95Å; V12-L29 HydrophobicContact CG2-CD2 3.69Å; V12-C33 HydrophobicContact CB-CB 3.83Å; V12-C33 HydrophobicContact CG1-CB 3.82Å; V12-C33 HydrophobicContact CG2-CB 4.37Å; V12-I37 HydrophobicContact CG1-CG2 4.04Å; V12-I37 HydrophobicContact CG2-CD1 4.38Å; V12-P129 HydrophobicContact CG2-CG 3.95Å
13C87.2Confident84.8Confident58 Ų5863.7 Ų63.739%0.39233%0.326SS..THydrogen-bonded Turntrans-130.96.5-176.266.60000115C10 S15 C33C10-C13 PolarHBondContact O-N 3.1Å; C10-C13 VanDerWaalsContact O-N 3.17Å; C13-S15 PolarHBondContact O-N 3.37Å; C13-S15 PolarHBondContact O-OG 2.94Å; C13-C33 VanDerWaalsContact SG-SG 3.63Å
14G84.1Confident85.6Confident54 Ų5459.8 Ų59.856%0.55732%0.316SS*.SBendtrans60.72.2178.600000115.4C10C10-G14 PolarHBondContact O-N 3.14Å
15S88.9Confident86.3Confident63 Ų6355.5 Ų55.544%0.44130%0.297SS..SBendtrans-109.2156.1-169.9-590000110.4C10 C13 Y17C10-S15 PolarHBondContact N-O 3.25Å; C13-S15 PolarHBondContact O-N 3.37Å; C13-S15 PolarHBondContact O-OG 2.94Å; S15-Y17 PolarHBondContact O-N 3.19Å
16F87.6Confident86.5Confident52 Ų5258.8 Ų58.823%0.22832%0.323CS..BIsolated β-bridgetrans-50.9137.8171.8-67.6-72.5000112.1E5 L8 R18 I155 Y158 Q159E5-F16 HydrophobicContact CG-CE1 3.76Å; E5-F16 HydrophobicContact CG-CZ 3.67Å; L8-F16 HydrophobicContact CB-CD1 3.89Å; L8-F16 HydrophobicContact CB-CE1 3.99Å; L8-F16 WeakPolarHBondContact O-CA 3.24Å; F16-R18 PolarHBondContact O-N 2.75Å; F16-I155 HydrophobicContact CB-CG2 3.95Å; F16-I155 HydrophobicContact CD1-CG2 4.11Å; F16-I155 HydrophobicContact CG-CG2 4.2Å; F16-Y158 HydrophobicContact CE1-CD1 4.07Å; F16-Y158 HydrophobicContact CE1-CE1 4.12Å; F16-Y158 HydrophobicContact CZ-CD1 4.3Å; F16-Y158 HydrophobicContact CZ-CE1 4.12Å; F16-Q159 HydrophobicContact CE2-CG 4.44Å
17Y86Confident86.9Confident13 Ų1356.2 Ų56.25%0.05131%0.311CS..  trans-56.1139.5-177.2-65.9-89.8000113.1L8 K9 C10 P11 S15 P20 N28 L151 I155L8-Y17 WeakPolarHBondContact O-CD2 3.47Å; L8-Y17 PolarHBondContact O-N 3.18Å; K9-Y17 VanDerWaalsContact C-CE2 3.41Å; K9-Y17 WeakPolarHBondContact O-CE2 3.15Å; K9-Y17 PolarHBondContact O-OH 3.23Å; C10-Y17 HydrophobicContact CB-CD1 3.66Å; C10-Y17 HydrophobicContact CB-CE1 3.61Å; C10-Y17 HydrophobicContact CB-CG 4.24Å; P11-Y17 WeakPolarHBondContact CD-OH 3.4Å; S15-Y17 PolarHBondContact O-N 3.19Å; Y17-P20 HydrophobicContact CD1-CB 4.04Å; Y17-P20 HydrophobicContact CG-CB 4.2Å; Y17-N28 HydrophobicContact CD1-CB 4.31Å; Y17-N28 HydrophobicContact CE1-CB 3.69Å; Y17-N28 WeakPolarHBondContact CE1-O 3.17Å; Y17-L151 HydrophobicContact CD2-CD1 4.5Å; Y17-L151 HydrophobicContact CD2-CD2 3.7Å; Y17-L151 HydrophobicContact CD2-CG 4.27Å; Y17-L151 HydrophobicContact CE2-CD2 4.03Å; Y17-L151 HydrophobicContact CG-CD2 3.97Å; Y17-I155 HydrophobicContact CD2-CD1 4.08Å; Y17-I155 HydrophobicContact CG-CD1 4.36Å
18R83.7Confident87.1Confident195 Ų19550.5 Ų50.574%0.73629%0.285SS*.SBendtrans-129.1124.5171.9-62-179.3-176.7172.71108.4F16 C30F16-R18 PolarHBondContact O-N 2.75Å; R18-C30 PolarHBondContact N-SG 3.34Å; R18-C30 VanDerWaalsContact N-SG 3.38Å; R18-C30 WeakPolarHBondContact O-CA 3.38Å; R18-C30 VanDerWaalsContact O-CB 3.29Å; R18-C30 WeakPolarHBondContact O-CB 3.41Å
19E83Confident87.2Confident96 Ų9650.1 Ų50.145%0.44928%0.283SS..SBendtrans4555.5-168.9-56.4-161.293.500112.9I21 Q31 K147 E152E19-I21 PolarHBondContact O-N 3.3Å; E19-Q31 HydrophobicContact CB-CB 4.1Å; E19-Q31 WeakPolarHBondContact O-CB 3.35Å; E19-Q31 PolarHBondContact O-N 2.84Å; E19-K147 IonicContact OE1-NZ 2.75Å; E19-K147 PolarHBondContact OE1-NZ 3.1Å; E19-E152 VanDerWaalsContact CA-OE1 3.26Å; E19-E152 WeakPolarHBondContact CA-OE1 3.46Å; E19-E152 PolarHBondContact N-OE1 2.83Å; E19-E152 VanDerWaalsContact N-OE1 3.09Å
20P88.9Confident87.3Confident0 Ų048.4 Ų48.40%028%0.277CS..EExtended strand (participates in β ladder)trans-59132.5176.924.1-31.9000111.4Y17 L29 K147 N148 L151 E152Y17-P20 HydrophobicContact CD1-CB 4.04Å; Y17-P20 HydrophobicContact CG-CB 4.2Å; P20-L29 CarbonylContact C-O 3.41Å; P20-L29 VanDerWaalsContact CA-O 3.28Å; P20-L29 WeakPolarHBondContact CA-O 3.32Å; P20-K147 CarbonylContact O-C 3.47Å; P20-K147 WeakPolarHBondContact O-CA 3.4Å; P20-N148 HydrophobicContact CB-CB 4.12Å; P20-N148 HydrophobicContact CG-CB 3.97Å; P20-N148 PolarHBondContact O-N 3.13Å; P20-L151 HydrophobicContact CB-CD2 3.96Å; P20-L151 HydrophobicContact CG-CB 4.26Å; P20-L151 HydrophobicContact CG-CD2 4.14Å; P20-L151 HydrophobicContact CG-CG 4.31Å; P20-E152 VanDerWaalsContact CD-CG 3.41Å; P20-E152 WeakPolarHBondContact CD-OE1 3.32Å; P20-E152 HydrophobicContact CG-CG 3.73Å
21I87.9Confident87.1Confident0 Ų049 Ų490%028%0.279CS..EExtended strand (participates in β ladder)trans-100.2146.1164.454.8157.5000110E19 L23 N28 L29 Q31 A34 F145 P146 K147E19-I21 PolarHBondContact O-N 3.3Å; I21-L23 HydrophobicContact CD1-CD2 4.23Å; I21-N28 WeakPolarHBondContact O-CA 3.3Å; I21-L29 HydrophobicContact CG1-CB 4.3Å; I21-L29 VanDerWaalsContact CG1-O 3.25Å; I21-L29 WeakPolarHBondContact CG1-O 3.43Å; I21-L29 PolarHBondContact N-O 2.95Å; I21-L29 PolarHBondContact O-N 2.87Å; I21-L29 VanDerWaalsContact O-N 3.12Å; I21-Q31 HydrophobicContact CG2-CB 4.3Å; I21-Q31 HydrophobicContact CG2-CG 4.43Å; I21-A34 HydrophobicContact CD1-CB 3.66Å; I21-A34 HydrophobicContact CG1-CB 4.32Å; I21-F145 HydrophobicContact CB-CB 3.96Å; I21-F145 HydrophobicContact CD1-CB 4.12Å; I21-F145 HydrophobicContact CD1-CD2 3.62Å; I21-F145 HydrophobicContact CD1-CE2 4.44Å; I21-F145 HydrophobicContact CD1-CG 4.22Å; I21-F145 HydrophobicContact CG2-CB 4.31Å; I21-P146 CarbonylContact C-O 3.54Å; I21-P146 WeakPolarHBondContact CA-O 3.26Å; I21-K147 HydrophobicContact CG2-CG 4.41Å
22I89.4Confident87Confident57 Ų5749 Ų4929%0.29229%0.285SS..EExtended strand (participates in β ladder)trans-92.4122.6174.8-50.8179.1000108.7P146 N148I22-P146 PolarHBondContact N-O 3.48Å; I22-N148 HydrophobicContact CD1-CB 3.97Å; I22-N148 HydrophobicContact CG1-CB 3.67Å
23L87.2Confident87Confident3 Ų347 Ų472%0.01627%0.272CS..PPolyproline II helixtrans-81.4156.4172-60.8-178.1000110.9I21 C25 S26 H27 L29 C128 L135 F145I21-L23 HydrophobicContact CD1-CD2 4.23Å; L23-C25 PolarHBondContact O-N 3.27Å; L23-S26 WeakPolarHBondContact O-CA 3.38Å; L23-S26 PolarHBondContact O-N 3.22Å; L23-H27 PolarHBondContact N-O 3.33Å; L23-L29 HydrophobicContact CD1-CD1 3.96Å; L23-L29 HydrophobicContact CD1-CG 4.32Å; L23-C128 HydrophobicContact CD1-CB 3.76Å; L23-L135 HydrophobicContact CB-CD1 4.08Å; L23-L135 HydrophobicContact CD1-CD1 4.25Å; L23-L135 HydrophobicContact CD2-CD1 4.05Å; L23-L135 HydrophobicContact CG-CD1 4.36Å; L23-F145 HydrophobicContact CD2-CD2 4.31Å; L23-F145 HydrophobicContact CD2-CE2 4.07Å; L23-F145 HydrophobicContact CD2-CZ 4.25Å
24P82.3Confident86.9Confident91 Ų9144.2 Ų44.259%0.59125%0.254SS*.THydrogen-bonded Turntrans-59.3-9.1173.6-27.337.1000115.7L135 F145P24-L135 HydrophobicContact CB-CD2 4.14Å; P24-L135 HydrophobicContact CG-CD2 4.05Å; P24-F145 HydrophobicContact CG-CE1 3.94Å
25C86.3Confident86.9Confident20 Ų2048.5 Ų48.514%0.13525%0.253CS..THydrogen-bonded Turntrans-94.919.116961.70000113.5L23 H27 C128L23-C25 PolarHBondContact O-N 3.27Å; C25-H27 PolarHBondContact O-N 3.24Å; C25-H27 PolarHBondContact O-ND1 3.32Å; C25-C128 VanDerWaalsContact SG-SG 3.63Å
26S87.4Confident86.6Confident98 Ų9852.1 Ų52.169%0.68527%0.268SS*.SBendtrans63-15.5-177.9-56.10000117.2L23 N28L23-S26 WeakPolarHBondContact O-CA 3.38Å; L23-S26 PolarHBondContact O-N 3.22Å; S26-N28 PolarHBondContact O-ND2 3.21Å
27H89.1Confident86.4Confident63 Ų6352.1 Ų52.129%0.29227%0.27SS..  trans-65156.8172.3-64.1114.8000113L23 C25 Q130 C131L23-H27 PolarHBondContact N-O 3.33Å; C25-H27 PolarHBondContact O-N 3.24Å; C25-H27 PolarHBondContact O-ND1 3.32Å; H27-Q130 PolarHBondContact CD2-OE1 3.05Å; H27-C131 PolarHBondContact ND1-SG 3.07Å
28N90.7Very high86.1Confident28 Ų2854 Ų5415%0.1528%0.28CS..EExtended strand (participates in β ladder)trans-115.1149.7-172.4-64.6-93.6000111.5Y17 I21 S26 N148 L151Y17-N28 HydrophobicContact CD1-CB 4.31Å; Y17-N28 HydrophobicContact CE1-CB 3.69Å; Y17-N28 WeakPolarHBondContact CE1-O 3.17Å; I21-N28 WeakPolarHBondContact O-CA 3.3Å; S26-N28 PolarHBondContact O-ND2 3.21Å; N28-N148 PolarHBondContact OD1-ND2 2.88Å; N28-L151 HydrophobicContact CB-CD2 3.93Å
29L89.9Confident85.6Confident0 Ų047.2 Ų47.20%026%0.26CS..EExtended strand (participates in β ladder)trans-143141.1171.2-73.1178.3000110.6P11 V12 P20 I21 L23 Q31 A34 I37 I126 P129P11-L29 HydrophobicContact CG-CD2 4.11Å; V12-L29 HydrophobicContact CG2-CD2 3.69Å; P20-L29 CarbonylContact C-O 3.41Å; P20-L29 VanDerWaalsContact CA-O 3.28Å; P20-L29 WeakPolarHBondContact CA-O 3.32Å; I21-L29 HydrophobicContact CG1-CB 4.3Å; I21-L29 VanDerWaalsContact CG1-O 3.25Å; I21-L29 WeakPolarHBondContact CG1-O 3.43Å; I21-L29 PolarHBondContact N-O 2.95Å; I21-L29 PolarHBondContact O-N 2.87Å; I21-L29 VanDerWaalsContact O-N 3.12Å; L23-L29 HydrophobicContact CD1-CD1 3.96Å; L23-L29 HydrophobicContact CD1-CG 4.32Å; L29-Q31 PolarHBondContact O-N 2.8Å; L29-A34 HydrophobicContact CB-CB 4.27Å; L29-A34 HydrophobicContact CD1-CB 4.34Å; L29-I37 HydrophobicContact CD1-CD1 3.79Å; L29-I126 HydrophobicContact CD1-CD1 3.99Å; L29-P129 HydrophobicContact CD2-CG 3.85Å
30C90.8Very high84.4Confident7 Ų748.6 Ų48.65%0.04727%0.267CS..EExtended strand (participates in β ladder)trans-57.8137.2167.5-56.40000110.1C10 R18 A32 C33 A34C10-C30 WeakPolarHBondContact CB-SG 3.48Å; R18-C30 PolarHBondContact N-SG 3.34Å; R18-C30 VanDerWaalsContact N-SG 3.38Å; R18-C30 WeakPolarHBondContact O-CA 3.38Å; R18-C30 VanDerWaalsContact O-CB 3.29Å; R18-C30 WeakPolarHBondContact O-CB 3.41Å; C30-A32 PolarHBondContact O-N 2.86Å; C30-A32 VanDerWaalsContact O-N 3.12Å; C30-C33 HydrophobicContact CB-CB 4.04Å; C30-C33 PolarHBondContact O-N 3.34Å; C30-A34 PolarHBondContact O-N 2.91Å
31Q85.5Confident82.5Confident13 Ų1352 Ų526%0.06129%0.288CS..Hα-helixtrans-58.5-31-178.2-171.2168.542.200112.9E19 I21 L29 R35 L142E19-Q31 HydrophobicContact CB-CB 4.1Å; E19-Q31 WeakPolarHBondContact O-CB 3.35Å; E19-Q31 PolarHBondContact O-N 2.84Å; I21-Q31 HydrophobicContact CG2-CB 4.3Å; I21-Q31 HydrophobicContact CG2-CG 4.43Å; L29-Q31 PolarHBondContact O-N 2.8Å; Q31-R35 WeakPolarHBondContact O-CG 3.26Å; Q31-R35 PolarHBondContact O-N 3.41Å; Q31-L142 PolarHBondContact NE2-O 3.3Å; Q31-L142 VanDerWaalsContact NE2-O 3.13Å
32A84.7Confident80.1Confident62 Ų6257.6 Ų57.651%0.51232%0.324SS..Hα-helixtrans-68.6-45.3171.600000112.7C30 A34 R35 N36C30-A32 PolarHBondContact O-N 2.86Å; C30-A32 VanDerWaalsContact O-N 3.12Å; A32-A34 VanDerWaalsContact C-N 3.33Å; A32-A34 PolarHBondContact O-N 2.92Å; A32-R35 WeakPolarHBondContact O-CB 3.1Å; A32-R35 PolarHBondContact O-N 3.41Å; A32-N36 PolarHBondContact O-N 2.97Å; A32-N36 PolarHBondContact O-OD1 3.21Å
33C87.1Confident77.5Confident13 Ų1362.6 Ų62.69%0.08835%0.346CS..Hα-helixtrans-63.4-39.4177.8-62.10000111.8V12 C13 C30 R35 N36 I37V12-C33 HydrophobicContact CB-CB 3.83Å; V12-C33 HydrophobicContact CG1-CB 3.82Å; V12-C33 HydrophobicContact CG2-CB 4.37Å; C13-C33 VanDerWaalsContact SG-SG 3.63Å; C30-C33 HydrophobicContact CB-CB 4.04Å; C30-C33 PolarHBondContact O-N 3.34Å; C33-R35 VanDerWaalsContact C-N 3.28Å; C33-R35 PolarHBondContact O-N 2.95Å; C33-N36 PolarHBondContact O-N 3.47Å; C33-N36 VanDerWaalsContact O-N 3.12Å; C33-I37 PolarHBondContact O-N 3.29Å; C33-I37 VanDerWaalsContact O-N 3.17Å
34A85.3Confident74.9Confident0 Ų067.6 Ų67.60%038%0.381CS..Hα-helixtrans-62.1-32.7175.900000113.1I21 L29 C30 A32 I126 L142I21-A34 HydrophobicContact CD1-CB 3.66Å; I21-A34 HydrophobicContact CG1-CB 4.32Å; L29-A34 HydrophobicContact CB-CB 4.27Å; L29-A34 HydrophobicContact CD1-CB 4.34Å; C30-A34 PolarHBondContact O-N 2.91Å; A32-A34 VanDerWaalsContact C-N 3.33Å; A32-A34 PolarHBondContact O-N 2.92Å; A34-I126 HydrophobicContact CB-CD1 3.83Å; A34-L142 HydrophobicContact CB-CD1 4.26Å; A34-L142 HydrophobicContact CB-CD2 4.33Å; A34-L142 WeakPolarHBondContact O-CD1 3.29Å
35R83.9Confident72.4Confident145 Ų14572.7 Ų72.755%0.54740%0.397SS..Hα-helixtrans-68.9-38.8172.3-69.8171.6-168.9-179.37.6111.9Q31 A32 C33 I37 L38 L142Q31-R35 WeakPolarHBondContact O-CG 3.26Å; Q31-R35 PolarHBondContact O-N 3.41Å; A32-R35 WeakPolarHBondContact O-CB 3.1Å; A32-R35 PolarHBondContact O-N 3.41Å; C33-R35 VanDerWaalsContact C-N 3.28Å; C33-R35 PolarHBondContact O-N 2.95Å; R35-I37 VanDerWaalsContact C-N 3.34Å; R35-I37 PolarHBondContact O-N 3.38Å; R35-L38 WeakPolarHBondContact O-CB 3.18Å; R35-L38 PolarHBondContact O-N 3.19Å; R35-L142 HydrophobicContact CB-CD1 4.21Å; R35-L142 HydrophobicContact CG-CD1 3.66Å
36N82Confident69.5Low138 Ų13876.7 Ų76.774%0.73843%0.426SS*.Hα-helixtrans-73.4-22.8-176.9-667.4000113.7A32 C33A32-N36 PolarHBondContact O-N 2.97Å; A32-N36 PolarHBondContact O-OD1 3.21Å; C33-N36 PolarHBondContact O-N 3.47Å; C33-N36 VanDerWaalsContact O-N 3.12Å
37I82.6Confident66.9Low53 Ų5378.3 Ų78.327%0.27243%0.433SS..THydrogen-bonded Turntrans-103.314.7176.370166.3000113.2V12 L29 C33 R35 I126V12-I37 HydrophobicContact CG1-CG2 4.04Å; V12-I37 HydrophobicContact CG2-CD1 4.38Å; L29-I37 HydrophobicContact CD1-CD1 3.79Å; C33-I37 PolarHBondContact O-N 3.29Å; C33-I37 VanDerWaalsContact O-N 3.17Å; R35-I37 VanDerWaalsContact C-N 3.34Å; R35-I37 PolarHBondContact O-N 3.38Å; I37-I126 HydrophobicContact CD1-CD1 4.15Å; I37-I126 HydrophobicContact CD1-CG1 4.06Å; I37-I126 HydrophobicContact CG1-CD1 4Å; I37-I126 HydrophobicContact CG1-CG1 4.03Å
38L80.4Confident64Low51 Ų5183.7 Ų83.727%0.26746%0.459SS..EExtended strand (participates in β ladder)trans-76.8126.8177.9-17272000110.2R35 C125 I126 L137 L142R35-L38 WeakPolarHBondContact O-CB 3.18Å; R35-L38 PolarHBondContact O-N 3.19Å; L38-C125 WeakPolarHBondContact CD1-O 3.38Å; L38-I126 HydrophobicContact CD1-CB 4.37Å; L38-L137 HydrophobicContact CD1-CD1 3.48Å; L38-L137 VanDerWaalsContact CD1-CD1 3.48Å; L38-L137 HydrophobicContact CD1-CG 4.39Å; L38-L142 HydrophobicContact CD1-CD1 4.32Å; L38-L142 HydrophobicContact CD1-CD2 4.36Å; L38-L142 HydrophobicContact CD1-CG 4.36Å; L38-L142 HydrophobicContact CD2-CD1 4.34Å
39V73.9Confident61.1Low54 Ų5487.5 Ų87.533%0.32749%0.487SS..EExtended strand (participates in β ladder)trans-106.2133.7176.7-176.40000109.1V99 C125V39-V99 HydrophobicContact CG2-CG1 4.47Å; V39-C125 PolarHBondContact N-O 2.61Å; V39-C125 PolarHBondContact O-N 3.04Å
40Q57.8Low58.2Low125 Ų12598.6 Ų98.658%0.58453%0.529SS*.EExtended strand (participates in β ladder)trans-99.2122.3169.4-68.4176.6-3.300108.2
41T47.7Very low55.2Low71 Ų71109.1 Ų109.144%0.43657%0.568SS.*PPolyproline II helixtrans-84.5130.2166.652.50000108.9N123T41-N123 PolarHBondContact OG1-O 3.2Å; T41-N123 VanDerWaalsContact OG1-O 3.05Å
42P38.9Very low52.4Low118 Ų118113 Ų11377%0.76660%0.602SS**PPolyproline II helixtrans-62.1155.6172.228.9-35000110.6S44P42-S44 PolarHBondContact O-N 3.48Å
43E33.3Very low49.8Very low162 Ų162116 Ų11676%0.75762%0.62SS**  trans-70.6100.6-179.6-66.1-173.4139.800110.8
44S33.7Very low46.9Very low108 Ų108118.6 Ų118.676%0.75565%0.649SS**PPolyproline II helixtrans-77.9129160.156.40000109.3P42 S46P42-S44 PolarHBondContact O-N 3.48Å; S44-S46 PolarHBondContact O-N 3.17Å
45E28.7Very low44.2Very low198 Ų198124.7 Ų124.793%0.92569%0.691SS**PPolyproline II helixtrans-53.7133174.8-63.9-175.1113.400111.2
46S27Very low41.5Very low104 Ų104121 Ų12173%0.72770%0.699SS**PPolyproline II helixtrans-91.5130.9179470000110.6S44 Q48S44-S46 PolarHBondContact O-N 3.17Å; S46-Q48 PolarHBondContact O-N 3.12Å
47P32.2Very low38.9Very low131 Ų131121.3 Ų121.385%0.85171%0.705SS**PPolyproline II helixtrans-59.6124.5176.3-24.834.5000111.3S49P47-S49 PolarHBondContact O-N 3.2Å
48Q28.8Very low36.4Very low177 Ų177123.5 Ų123.583%0.82773%0.725SS**PPolyproline II helixtrans-65.6125.5-176.1-68.7-176.7-600111.6S46 R50S46-Q48 PolarHBondContact O-N 3.12Å; Q48-R50 PolarHBondContact O-N 3.38Å
49S29.2Very low33.9Very low107 Ų107127.6 Ų127.675%0.74875%0.747SS**  trans-66.8115.8170.5-1760000110.4P47P47-S49 PolarHBondContact O-N 3.2Å
50R28.2Very low31.9Very low233 Ų233134.8 Ų134.888%0.87977%0.77SS**  trans-97.2131.4156.6-70.4-171176.9-169.10.2108.8Q48Q48-R50 PolarHBondContact O-N 3.38Å
51R27.3Very low30.6Very low229 Ų229136.1 Ų136.186%0.86478%0.781SS**  trans-107.1168.3175-78.9-176.8169.9-175.9-3.1110.3
52A27.8Very low29.7Very low94 Ų94143.5 Ų143.578%0.77780%0.803SS**  trans77.7141.3174.200000115.6
53S29.9Very low29.3Very low125 Ų125144.7 Ų144.787%0.87480%0.802SS**  cis-168.1151.5-15.3-99.90000109.7
54G26.8Very low29.2Very low68 Ų68143.4 Ų143.470%0.70180%0.8SS**  trans116.2106.4156.700000117.8
55S28.2Very low29Very low127 Ų127144.4 Ų144.489%0.88880%0.796SS**  trans28.6124.5136.256.80000122.2
56G26.9Very low29.1Very low69 Ų69141.2 Ų141.271%0.71179%0.786SS**  138.494.211900000121.1
57V28.4Very low29.1Very low143 Ų143146.1 Ų146.187%0.86779%0.794SS**  trans70.7143.9138.8-170.60000120.9
58S29.6Very low28.9Very low99 Ų99147.3 Ų147.369%0.69279%0.79SS**  trans63.9100.8159.7570000122.2
59D28.1Very low29Very low138 Ų138144 Ų14474%0.73879%0.787SS**  58.6129.7106.1-79.26.4000124.8
60Y30.6Very low29Very low205 Ų205145 Ų14580%0.80478%0.783SS**  trans77.3146.9152.5-68.2-61.1000122.6
61D30.6Very low29.2Very low153 Ų153143.4 Ų143.482%0.81878%0.778SS**  trans-83.4170.4-156.6-57.1-82.9000115.9
62Y28.3Very low29.5Very low225 Ų225136.4 Ų136.488%0.88276%0.764SS**  trans-118.7159-174.2-157-94.1000113.3
63L32.5Very low29.6Very low143 Ų143140.1 Ų140.175%0.74977%0.765SS**  trans-95.1131.8-174.3-70.5167.4000113.7
64D29.9Very low29.7Very low135 Ų135138.9 Ų138.972%0.72276%0.763SS**  58.4142.1116.2-142.921.3000123.5
65L30.1Very low29.5Very low130 Ų130142.5 Ų142.568%0.68177%0.766SS**  trans64.8126156.9-77.9163.9000125
66D30.8Very low29.7Very low131 Ų131141.6 Ų141.670%0.70176%0.76SS**  trans53.3124.2136.4-78.15.2000124.5
67K26.4Very low29.8Very low207 Ų207141.5 Ų141.590%0.976%0.759SS**  -158.8154.7102.7-146.3157.3-175.4168.60114.4
68M29.3Very low29.8Very low155 Ų155146.4 Ų146.476%0.76476%0.764SS**  trans-93.7175-169.7-56151.8168.200115.5
69S30.4Very low29.6Very low109 Ų109144.8 Ų144.876%0.76276%0.762SS**  trans107.1148.5150.6-47.20000117.1
70L29.7Very low29.5Very low126 Ų126143.5 Ų143.566%0.6676%0.764SS**  cis-170.9173.8-21.2-112.7166.4000109.4
71Y30.7Very low29.3Very low201 Ų201145 Ų14579%0.78877%0.77SS**  trans70.3163.9168.3-48.5-69.6000116.9
72S34.2Very low29Very low81 Ų81141.4 Ų141.457%0.56677%0.769SS**  cis179.1163.2-30.5-81.20000108.2
73E30.4Very low28.8Very low172 Ų172133.9 Ų133.980%0.80476%0.76SS**  cis-169.3155.7-24.5-103.2164.28900109.4
74A31Very low28.4Very low100 Ų100137.1 Ų137.183%0.82677%0.769SS**  trans61170.7169.800000117.3
75D24.4Very low28.1Very low144 Ų144135 Ų13577%0.7777%0.769SS**  cis-153.3174.812.7-168.919.8000113.4
76S31.2Very low27.9Very low107 Ų107134.6 Ų134.675%0.74878%0.778SS**  trans-36.7167.4170.9-53.20000119.4
77G29.4Very low27.7Very low67 Ų67133 Ų13369%0.69178%0.782SS**  cis158.6-173.4-2.700000113.7
78Y27.4Very low28Very low247 Ų247129 Ų12997%0.96978%0.778SS**  trans64.9153.2175.9-100.2-113.3000117.9
79G25.8Very low27.8Very low64 Ų64128.4 Ų128.466%0.6678%0.783SS**  cis-161.5-172.32.200000113.5
80S27Very low27.7Very low111 Ų111129.5 Ų129.578%0.77679%0.785SS**  trans-101.1-178-156.6-52.40000118.1
81Y25.6Very low27.7Very low236 Ų236129.3 Ų129.393%0.92579%0.791SS**  trans80.3139.2176.3-68.7-98.4000117
82G25.6Very low27.5Very low78 Ų78125.6 Ų125.680%0.80479%0.794SS**  cis150.8129.2-13.600000114.6
83G23.8Very low27.3Very low68 Ų68130.8 Ų130.870%0.70181%0.809SS**  trans133.2117160.700000118.9
84F22.7Very low27.2Very low211 Ų211132.4 Ų132.493%0.92581%0.814SS**  trans62.9110143.5-65-78.2000123.9
85A24.9Very low27.2Very low89 Ų89132 Ų13274%0.73681%0.805SS**  103.1142.111900000122
86S26.2Very low27.5Very low123 Ų123131.1 Ų131.186%0.8681%0.806SS**  trans8399.6157.3-58.70000120.6
87A26.3Very low27.6Very low96 Ų96132.5 Ų132.579%0.79381%0.806SS**  trans-39.6179.7157.900000118.6
88P31.1Very low27.7Very low123 Ų123132.7 Ų132.780%0.79981%0.807SS**  cis-130.1143.1-2728.2-10000113.5
89T25.7Very low28Very low144 Ų144125.4 Ų125.488%0.88379%0.788SS**  trans-110114.2172.653.20000112.6
90T28.5Very low28.3Very low132 Ų132132.5 Ų132.581%0.8180%0.795SS**PPolyproline II helixtrans-67.9153.316424.70000111.3
91P29.6Very low28.5Very low121 Ų121133.6 Ų133.679%0.78680%0.797SS**PPolyproline II helixtrans-81.1126.2-161.330.1-35.4000113.9Q93P91-Q93 PolarHBondContact O-N 3.19Å
92C26.3Very low28.7Very low124 Ų124130.4 Ų130.484%0.83879%0.788SS**PPolyproline II helixtrans-69.6120.6159.8-65.50000109.7K94C92-K94 PolarHBondContact O-N 3.34Å
93Q29.7Very low29Very low190 Ų190131.9 Ų131.989%0.88878%0.783SS**PPolyproline II helixtrans-64.6131.5169.5-69.9-175.7-18.300110P91 S95P91-Q93 PolarHBondContact O-N 3.19Å; Q93-S95 PolarHBondContact O-N 3.43Å
94K29.3Very low29.5Very low206 Ų206134.8 Ų134.890%0.89679%0.79SS**PPolyproline II helixtrans-75.1121.4176.3-68.8-179.3178.6178.20109.7C92C92-K94 PolarHBondContact O-N 3.34Å
95S30Very low29.9Very low92 Ų92129.4 Ų129.464%0.64379%0.785SS**PPolyproline II helixtrans-73143.3164.6-179.60000109.8Q93 N97Q93-S95 PolarHBondContact O-N 3.43Å; S95-N97 PolarHBondContact O-N 2.92Å; S95-N97 VanDerWaalsContact O-N 3.1Å
96P30.9Very low30.3Very low124 Ų124133.6 Ų133.681%0.80579%0.791SS**THydrogen-bonded Turntrans-59.8-26.3-170.4-26.935.7000115.8
97N33.4Very low30.6Very low137 Ų137133.3 Ų133.373%0.73379%0.786SS**THydrogen-bonded Turntrans-104.221-166.1-65.35.9000114.7S95 V99S95-N97 PolarHBondContact O-N 2.92Å; S95-N97 VanDerWaalsContact O-N 3.1Å; N97-V99 PolarHBondContact O-N 3.13Å
98G32.9Very low31.1Very low70 Ų70134.2 Ų134.272%0.72278%0.784SS**  trans67.20.2165.300000118.5R100G98-R100 PolarHBondContact O-N 3.1Å
99V33Very low31.2Very low94 Ų94133.9 Ų133.957%0.5778%0.782SS**PPolyproline II helixtrans-65.8121.8-177.9-177.70000111.4V39 N97V39-V99 HydrophobicContact CG2-CG1 4.47Å; N97-V99 PolarHBondContact O-N 3.13Å
100R31.4Very low31.9Very low213 Ų213131.9 Ų131.980%0.80478%0.78SS**PPolyproline II helixtrans-76.8123.9170.7-68.6-173.3178.4-1640.6110.4G98G98-R100 PolarHBondContact O-N 3.1Å
101V31.6Very low32.1Very low135 Ų135131.9 Ų131.982%0.81878%0.78SS**PPolyproline II helixtrans-92.4122.3168.4-176.50000108.4
102F30.2Very low32.6Very low169 Ų169135 Ų13574%0.74178%0.784SS**PPolyproline II helixtrans-85.5152175.1-79.3-87.5000111.6
103P30.3Very low32.9Very low108 Ų108137.4 Ų137.470%0.70179%0.787SS**PPolyproline II helixtrans-64.7155.9173.8-1831.8000112.2A105P103-A105 PolarHBondContact O-N 2.99Å
104P34.4Very low32.9Very low130 Ų130133.4 Ų133.484%0.84478%0.78SS**PPolyproline II helixtrans-66124175.327.9-34.1000111
105A32.4Very low33.4Very low98 Ų98129.8 Ų129.881%0.8178%0.778SS**PPolyproline II helixtrans-66.6142.5171.200000111P103P103-A105 PolarHBondContact O-N 2.99Å
106M32Very low33.6Very low176 Ų176130 Ų13087%0.86779%0.786SS**PPolyproline II helixtrans-67149.6174-70.7-149.8-59.500111.6
107P34.4Very low34.1Very low117 Ų117132.3 Ų132.376%0.7679%0.79SS**PPolyproline II helixtrans-67.4142176.528.8-35000111.4
108P36.6Very low34.3Very low115 Ų115130 Ų13075%0.74779%0.79SS**PPolyproline II helixtrans-70.5158.4172.331.1-35.2000111.6
109P32.5Very low34.7Very low116 Ų116132.4 Ų132.475%0.75379%0.793SS**PPolyproline II helixtrans-66152.217629.2-35.5000111.8T111P109-T111 PolarHBondContact O-N 2.94Å
110A39.7Very low35.2Very low102 Ų102131.7 Ų131.784%0.84379%0.789SS**PPolyproline II helixtrans-74.7116.3-176.600000112.4
111T32.5Very low36Very low132 Ų132124.8 Ų124.881%0.8177%0.771SS**  trans-113.8131.4162.348.60000109.6P109 L113P109-T111 PolarHBondContact O-N 2.94Å; T111-L113 PolarHBondContact O-N 3.12Å
112H41Very low37Very low188 Ų188126 Ų12687%0.8776%0.761SS**  trans-69.2124.2-177.7-75.6-121.8000111.9
113L31.6Very low38.4Very low173 Ų173121.8 Ų121.891%0.90675%0.747SS**  trans-171.5162.5144-102.9159.4000110.3T111T111-L113 PolarHBondContact O-N 3.12Å
114S31.2Very low40.4Very low106 Ų106116.8 Ų116.874%0.74171%0.714SS**  trans-73.4152.9-168.9-58.80000114.2A116S114-A116 PolarHBondContact O-N 2.87Å
115P39.1Very low42.7Very low131 Ų131111.9 Ų111.985%0.85168%0.682SS**  trans-79.1105.1-172.531-35.3000113.5
116A33.5Very low45.2Very low97 Ų97107.2 Ų107.280%0.80264%0.644SS**PPolyproline II helixtrans-84.7149.1158.300000110.4S114 A118S114-A116 PolarHBondContact O-N 2.87Å; A116-A118 PolarHBondContact O-N 3.46Å
117L43.3Very low47.8Very low171 Ų171101.3 Ų101.390%0.89562%0.618SS**PPolyproline II helixtrans-77.8121.2-175.5-66.191.5000111.8
118A36.9Very low50.3Low89 Ų8995.8 Ų95.874%0.73658%0.582SS**PPolyproline II helixtrans-77.4131.4158.200000109.5A116A116-A118 PolarHBondContact O-N 3.46Å
119P40.8Very low52.7Low121 Ų12192.5 Ų92.579%0.78656%0.561SS**PPolyproline II helixtrans-64.1147.7174-20.833000112.1
120V44Very low55.2Low79 Ų7991 Ų9148%0.47954%0.544SS..PPolyproline II helixtrans-75.5131.9168.1-1780000108.3R122V120-R122 PolarHBondContact O-N 3.4Å
121P47.2Very low57.5Low68 Ų6888.6 Ų88.644%0.44252%0.52SS..PPolyproline II helixtrans-60.6132.2174.9-25.235.9000111.7S124P121-S124 PolarHBondContact O-OG 2.9Å
122R53.5Low60.1Low160 Ų16089.1 Ų89.160%0.60451%0.513SS*.THydrogen-bonded Turntrans-57.1151.1169-62.2-178.5-177.5-77.4-4108.7V120 D139V120-R122 PolarHBondContact O-N 3.4Å; R122-D139 IonicContact CZ-OD1 3.84Å; R122-D139 IonicContact CZ-OD2 2.77Å; R122-D139 IonicContact NH1-OD1 3.72Å; R122-D139 PolarHBondContact NH1-OD1 3.26Å; R122-D139 IonicContact NH1-OD2 3.61Å; R122-D139 PolarHBondContact NH1-OD2 3.24Å; R122-D139 IonicContact NH2-OD2 3.31Å; R122-D139 PolarHBondContact NH2-OD2 2.61Å
123N59.5Low62.3Low81 Ų8188 Ų8843%0.43350%0.501SS..THydrogen-bonded Turntrans68.227.2-177.9-45.6-27.7000115.7T41T41-N123 PolarHBondContact OG1-O 3.2Å; T41-N123 VanDerWaalsContact OG1-O 3.05Å
124S72.6Confident64.8Low2 Ų283.4 Ų83.41%0.01448%0.483CS..EExtended strand (participates in β ladder)trans-73.3139165.3-620000111.1P121 L137P121-S124 PolarHBondContact O-OG 2.9Å; S124-L137 WeakPolarHBondContact O-CB 3.34Å; S124-L137 WeakPolarHBondContact O-CG 3.38Å; S124-L137 PolarHBondContact O-N 2.98Å
125C81.6Confident67.2Low27 Ų2779.4 Ų79.418%0.18245%0.454CS..EExtended strand (participates in β ladder)trans-135.5155.9179.676.30000113.9L38 V39 L135L38-C125 WeakPolarHBondContact CD1-O 3.38Å; V39-C125 PolarHBondContact N-O 2.61Å; V39-C125 PolarHBondContact O-N 3.04Å; C125-L135 CarbonylContact C-O 3.59Å; C125-L135 VanDerWaalsContact CA-O 3.24Å; C125-L135 WeakPolarHBondContact CA-O 3.26Å; C125-L135 WeakPolarHBondContact CB-O 3.21Å
126I86.1Confident69.1Low0 Ų079.9 Ų79.90%045%0.448CS..EExtended strand (participates in β ladder)trans-134.8136.8180-172.4169.9000110.6L29 A34 I37 L38 S134 L135 L137 L142 F145L29-I126 HydrophobicContact CD1-CD1 3.99Å; A34-I126 HydrophobicContact CB-CD1 3.83Å; I37-I126 HydrophobicContact CD1-CD1 4.15Å; I37-I126 HydrophobicContact CD1-CG1 4.06Å; I37-I126 HydrophobicContact CG1-CD1 4Å; I37-I126 HydrophobicContact CG1-CG1 4.03Å; L38-I126 HydrophobicContact CD1-CB 4.37Å; I126-S134 CarbonylContact O-C 3.44Å; I126-L135 HydrophobicContact CG2-CB 3.95Å; I126-L135 HydrophobicContact CG2-CD1 4.26Å; I126-L135 PolarHBondContact N-O 3.04Å; I126-L135 WeakPolarHBondContact O-CB 3.38Å; I126-L135 PolarHBondContact O-N 3.3Å; I126-L137 HydrophobicContact CG2-CD2 3.93Å; I126-L142 HydrophobicContact CD1-CD2 4.09Å; I126-F145 HydrophobicContact CG2-CE2 4.23Å; I126-F145 HydrophobicContact CG2-CZ 4.36Å
127T86.2Confident71.2Confident53 Ų5376.3 Ų76.333%0.32542%0.415SS..EExtended strand (participates in β ladder)trans-105.7129176.1-54.40000110P129 H132 S134T127-P129 WeakPolarHBondContact O-CD 3.44Å; T127-H132 WeakPolarHBondContact CG2-O 3.3Å; T127-S134 PolarHBondContact OG1-OG 3.03Å
128C87.3Confident72.5Confident1 Ų171.5 Ų71.51%0.00739%0.39CS..  trans-68.2123.5175.5179.50000110.8L23 C25 Q130 C131 H132 R133L23-C128 HydrophobicContact CD1-CB 3.76Å; C25-C128 VanDerWaalsContact SG-SG 3.63Å; C128-Q130 VanDerWaalsContact C-N 3.29Å; C128-Q130 PolarHBondContact O-N 3.09Å; C128-C131 VanDerWaalsContact SG-SG 3.67Å; C128-H132 WeakPolarHBondContact O-CA 3.22Å; C128-H132 PolarHBondContact O-N 3.34Å; C128-R133 PolarHBondContact N-O 2.99Å
129P85.9Confident73.7Confident46 Ų4672.3 Ų72.330%0.29938%0.382SS..THydrogen-bonded Turntrans-73.6-16-17929.8-35.8000114.2P11 V12 L29 T127 H132P11-P129 HydrophobicContact CB-CG 4.31Å; P11-P129 HydrophobicContact CG-CG 3.78Å; V12-P129 HydrophobicContact CG2-CG 3.95Å; L29-P129 HydrophobicContact CD2-CG 3.85Å; T127-P129 WeakPolarHBondContact O-CD 3.44Å; P129-H132 PolarHBondContact O-CE1 2.74Å
130Q85Confident75Confident84 Ų8473 Ų7339%0.39337%0.369SS..THydrogen-bonded Turntrans-90.8-20.5-179.9-76175.9-44.800114.3P11 H27 C128P11-Q130 HydrophobicContact CB-CG 4.18Å; P11-Q130 HydrophobicContact CG-CG 3.94Å; H27-Q130 PolarHBondContact CD2-OE1 3.05Å; C128-Q130 VanDerWaalsContact C-N 3.29Å; C128-Q130 PolarHBondContact O-N 3.09Å
131C88.6Confident76.5Confident52 Ų5269.4 Ų69.435%0.35135%0.347SS..THydrogen-bonded Turntrans-143.113.7-178.972.80000114H27 C128 R133H27-C131 PolarHBondContact ND1-SG 3.07Å; C128-C131 VanDerWaalsContact SG-SG 3.67Å; C131-R133 PolarHBondContact O-N 2.86Å
132H87.1Confident77.7Confident142 Ų14266.9 Ų66.966%0.65733%0.33SS*.  trans50.815176.1-50.5-57.6000116.9T127 C128 P129 S134T127-H132 WeakPolarHBondContact CG2-O 3.3Å; C128-H132 WeakPolarHBondContact O-CA 3.22Å; C128-H132 PolarHBondContact O-N 3.34Å; P129-H132 PolarHBondContact O-CE1 2.74Å; H132-S134 PolarHBondContact O-N 2.74Å
133R86.5Confident78.6Confident165 Ų16569.5 Ų69.562%0.62334%0.34SS*.  trans-78.7119.2178.5-167.6172.5-171.91654.1110.3C128 C131C128-R133 PolarHBondContact N-O 2.99Å; C131-R133 PolarHBondContact O-N 2.86Å
134S84.8Confident79.1Confident76 Ų7667.2 Ų67.253%0.53134%0.335SS..EExtended strand (participates in β ladder)trans-77.8147.2173.2-51.80000112I126 T127 H132I126-S134 CarbonylContact O-C 3.44Å; T127-S134 PolarHBondContact OG1-OG 3.03Å; H132-S134 PolarHBondContact O-N 2.74Å
135L81.6Confident79.6Confident23 Ų2368.5 Ų68.512%0.1234%0.341CS..EExtended strand (participates in β ladder)trans-138.8124.7-173.7-60.7162.6000108.8L23 P24 C125 I126L23-L135 HydrophobicContact CB-CD1 4.08Å; L23-L135 HydrophobicContact CD1-CD1 4.25Å; L23-L135 HydrophobicContact CD2-CD1 4.05Å; L23-L135 HydrophobicContact CG-CD1 4.36Å; P24-L135 HydrophobicContact CB-CD2 4.14Å; P24-L135 HydrophobicContact CG-CD2 4.05Å; C125-L135 CarbonylContact C-O 3.59Å; C125-L135 VanDerWaalsContact CA-O 3.24Å; C125-L135 WeakPolarHBondContact CA-O 3.26Å; C125-L135 WeakPolarHBondContact CB-O 3.21Å; I126-L135 HydrophobicContact CG2-CB 3.95Å; I126-L135 HydrophobicContact CG2-CD1 4.26Å; I126-L135 PolarHBondContact N-O 3.04Å; I126-L135 WeakPolarHBondContact O-CB 3.38Å; I126-L135 PolarHBondContact O-N 3.3Å
136I79Confident79.5Confident141 Ų14170.7 Ų70.772%0.72336%0.355SS*.EExtended strand (participates in β ladder)trans-84139.3172.4-55.1173.3000108
137L78.5Confident79.3Confident21 Ų2174.6 Ų74.611%0.1137%0.372CS..  trans-89.9149.6178.9-55.6-171.6000112.3L38 S124 I126 L142 F145L38-L137 HydrophobicContact CD1-CD1 3.48Å; L38-L137 VanDerWaalsContact CD1-CD1 3.48Å; L38-L137 HydrophobicContact CD1-CG 4.39Å; S124-L137 WeakPolarHBondContact O-CB 3.34Å; S124-L137 WeakPolarHBondContact O-CG 3.38Å; S124-L137 PolarHBondContact O-N 2.98Å; I126-L137 HydrophobicContact CG2-CD2 3.93Å; L137-L142 HydrophobicContact CD1-CD2 3.77Å; L137-L142 HydrophobicContact CD1-CG 3.89Å; L137-L142 HydrophobicContact CD2-CD2 4.24Å; L137-F145 HydrophobicContact CD2-CE2 3.45Å; L137-F145 VanDerWaalsContact CD2-CE2 3.45Å; L137-F145 HydrophobicContact CD2-CZ 3.49Å; L137-F145 VanDerWaalsContact CD2-CZ 3.49Å
138D69.1Low79.2Confident70 Ų7073.4 Ų73.437%0.37436%0.363SS..  trans-80.2178.2168.474.9-13.7000111.3R140 G141D138-R140 PolarHBondContact O-N 2.83Å; D138-R140 WeakPolarHBondContact OD1-CB 3.49Å; D138-R140 PolarHBondContact OD1-N 3.32Å; D138-R140 VanDerWaalsContact OD1-N 3.1Å; D138-R140 IonicContact OD2-CZ 2.89Å; D138-R140 VanDerWaalsContact OD2-CZ 3.29Å; D138-R140 IonicContact OD2-NE 3.61Å; D138-R140 PolarHBondContact OD2-NE 3.06Å; D138-R140 IonicContact OD2-NH2 3.43Å; D138-R140 PolarHBondContact OD2-NH2 2.96Å; D138-G141 PolarHBondContact O-N 2.94Å; D138-G141 PolarHBondContact OD1-N 3.3Å
139D63.7Low79Confident107 Ų10780.7 Ų80.757%0.57239%0.391SS*.THydrogen-bonded Turntrans-59.9-9177.7-72.22.3000113.9R122R122-D139 IonicContact CZ-OD1 3.84Å; R122-D139 IonicContact CZ-OD2 2.77Å; R122-D139 IonicContact NH1-OD1 3.72Å; R122-D139 PolarHBondContact NH1-OD1 3.26Å; R122-D139 IonicContact NH1-OD2 3.61Å; R122-D139 PolarHBondContact NH1-OD2 3.24Å; R122-D139 IonicContact NH2-OD2 3.31Å; R122-D139 PolarHBondContact NH2-OD2 2.61Å
140R67.8Low78.8Confident136 Ų13683.6 Ų83.651%0.51341%0.407SS..THydrogen-bonded Turntrans-95.3-6.5174-60.5174.7-67.4175.12.8112.5D138 R143D138-R140 PolarHBondContact O-N 2.83Å; D138-R140 WeakPolarHBondContact OD1-CB 3.49Å; D138-R140 PolarHBondContact OD1-N 3.32Å; D138-R140 VanDerWaalsContact OD1-N 3.1Å; D138-R140 IonicContact OD2-CZ 2.89Å; D138-R140 VanDerWaalsContact OD2-CZ 3.29Å; D138-R140 IonicContact OD2-NE 3.61Å; D138-R140 PolarHBondContact OD2-NE 3.06Å; D138-R140 IonicContact OD2-NH2 3.43Å; D138-R140 PolarHBondContact OD2-NH2 2.96Å; R140-R143 WeakPolarHBondContact O-CB 3.2Å; R140-R143 PolarHBondContact O-N 2.9Å; R140-R143 VanDerWaalsContact O-N 3.14Å
141G76.1Confident78.8Confident2 Ų280.4 Ų80.42%0.02139%0.393CS..G310 helixtrans57.2-143.2173.500000113.1D138 R143 G144D138-G141 PolarHBondContact O-N 2.94Å; D138-G141 PolarHBondContact OD1-N 3.3Å; G141-R143 PolarHBondContact O-N 3.47Å; G141-G144 PolarHBondContact O-N 3Å
142L72Confident78.4Confident16 Ų1681.1 Ų81.18%0.08439%0.391CS..G310 helixtrans-697.8176.5-60.7175.7000114.5Q31 A34 R35 L38 I126 L137 F145Q31-L142 PolarHBondContact NE2-O 3.3Å; Q31-L142 VanDerWaalsContact NE2-O 3.13Å; A34-L142 HydrophobicContact CB-CD1 4.26Å; A34-L142 HydrophobicContact CB-CD2 4.33Å; A34-L142 WeakPolarHBondContact O-CD1 3.29Å; R35-L142 HydrophobicContact CB-CD1 4.21Å; R35-L142 HydrophobicContact CG-CD1 3.66Å; L38-L142 HydrophobicContact CD1-CD1 4.32Å; L38-L142 HydrophobicContact CD1-CD2 4.36Å; L38-L142 HydrophobicContact CD1-CG 4.36Å; L38-L142 HydrophobicContact CD2-CD1 4.34Å; I126-L142 HydrophobicContact CD1-CD2 4.09Å; L137-L142 HydrophobicContact CD1-CD2 3.77Å; L137-L142 HydrophobicContact CD1-CG 3.89Å; L137-L142 HydrophobicContact CD2-CD2 4.24Å; L142-F145 HydrophobicContact CD2-CD2 4.08Å; L142-F145 HydrophobicContact CD2-CE2 3.84Å
143R71.6Confident78Confident215 Ų21575.6 Ų75.681%0.81137%0.373SS*.G310 helixtrans-93.6-16.9165.3-62.5-177175.9-123.86.1112.7R140 G141 F145R140-R143 WeakPolarHBondContact O-CB 3.2Å; R140-R143 PolarHBondContact O-N 2.9Å; R140-R143 VanDerWaalsContact O-N 3.14Å; G141-R143 PolarHBondContact O-N 3.47Å; R143-F145 VanDerWaalsContact C-N 3.27Å; R143-F145 PolarHBondContact O-N 3.02Å
144G71.1Confident77.8Confident32 Ų3270 Ų7033%0.3336%0.356SS..SBendtrans-71.9-15.2177.500000114.6G141G141-G144 PolarHBondContact O-N 3Å
145F81.8Confident77.7Confident30 Ų3066.8 Ų66.813%0.13233%0.333CS..SBendtrans-85.5135179.1-64.8-52.2000112.9I21 L23 P24 I126 L137 L142 R143 K147I21-F145 HydrophobicContact CB-CB 3.96Å; I21-F145 HydrophobicContact CD1-CB 4.12Å; I21-F145 HydrophobicContact CD1-CD2 3.62Å; I21-F145 HydrophobicContact CD1-CE2 4.44Å; I21-F145 HydrophobicContact CD1-CG 4.22Å; I21-F145 HydrophobicContact CG2-CB 4.31Å; L23-F145 HydrophobicContact CD2-CD2 4.31Å; L23-F145 HydrophobicContact CD2-CE2 4.07Å; L23-F145 HydrophobicContact CD2-CZ 4.25Å; P24-F145 HydrophobicContact CG-CE1 3.94Å; I126-F145 HydrophobicContact CG2-CE2 4.23Å; I126-F145 HydrophobicContact CG2-CZ 4.36Å; L137-F145 HydrophobicContact CD2-CE2 3.45Å; L137-F145 VanDerWaalsContact CD2-CE2 3.45Å; L137-F145 HydrophobicContact CD2-CZ 3.49Å; L137-F145 VanDerWaalsContact CD2-CZ 3.49Å; L142-F145 HydrophobicContact CD2-CD2 4.08Å; L142-F145 HydrophobicContact CD2-CE2 3.84Å; R143-F145 VanDerWaalsContact C-N 3.27Å; R143-F145 PolarHBondContact O-N 3.02Å; F145-K147 PolarHBondContact O-N 3.49Å
146P79.6Confident77.4Confident73 Ų7369.4 Ų69.447%0.47435%0.348SS..PPolyproline II helixtrans-60.4134.9177.9-23.833.9000113.1I21 I22I21-P146 CarbonylContact C-O 3.54Å; I21-P146 WeakPolarHBondContact CA-O 3.26Å; I22-P146 PolarHBondContact N-O 3.48Å
147K82.8Confident77.3Confident81 Ų8170 Ų7035%0.35234%0.341SS..BIsolated β-bridgetrans-79123.8172.2-72.7-167.7171.7-172.20111.4E19 P20 I21 F145 R149E19-K147 IonicContact OE1-NZ 2.75Å; E19-K147 PolarHBondContact OE1-NZ 3.1Å; P20-K147 CarbonylContact O-C 3.47Å; P20-K147 WeakPolarHBondContact O-CA 3.4Å; I21-K147 HydrophobicContact CG2-CG 4.41Å; F145-K147 PolarHBondContact O-N 3.49Å; K147-R149 VanDerWaalsContact C-N 3.27Å; K147-R149 PolarHBondContact O-N 2.8Å
148N83.7Confident77.2Confident28 Ų2869.5 Ų69.515%0.1534%0.338CS..  trans-80.966.3-179.1-160.6-15.8000112.6P20 I22 N28 V150 L151 E152P20-N148 HydrophobicContact CB-CB 4.12Å; P20-N148 HydrophobicContact CG-CB 3.97Å; P20-N148 PolarHBondContact O-N 3.13Å; I22-N148 HydrophobicContact CD1-CB 3.97Å; I22-N148 HydrophobicContact CG1-CB 3.67Å; N28-N148 PolarHBondContact OD1-ND2 2.88Å; N148-V150 PolarHBondContact O-N 2.89Å; N148-V150 PolarHBondContact OD1-N 2.87Å; N148-L151 HydrophobicContact CB-CB 4.01Å; N148-L151 VanDerWaalsContact CG-CB 3.41Å; N148-L151 PolarHBondContact O-N 2.93Å; N148-L151 PolarHBondContact OD1-N 3.38Å; N148-E152 PolarHBondContact O-N 2.82Å
149R81.9Confident77.5Confident155 Ų15569.8 Ų69.859%0.58534%0.336SS*.Hα-helixtrans-57.1-20.5174.5-65-178.7-179.4163.82.8113.1K147 G153K147-R149 VanDerWaalsContact C-N 3.27Å; K147-R149 PolarHBondContact O-N 2.8Å; R149-G153 PolarHBondContact O-N 3.4Å; R149-G153 VanDerWaalsContact O-N 3.1Å
150V82.8Confident77.6Confident106 Ų10666.5 Ų66.564%0.64232%0.318SS*.Hα-helixtrans-72.6-44.3174.8-1780000110.8N148 G153 V154N148-V150 PolarHBondContact O-N 2.89Å; N148-V150 PolarHBondContact OD1-N 2.87Å; V150-G153 CarbonylContact O-C 3.6Å; V150-G153 PolarHBondContact O-N 3.47Å; V150-V154 WeakPolarHBondContact O-CG2 3.38Å; V150-V154 PolarHBondContact O-N 3.04Å
151L83.9Confident77.5Confident18 Ų1863.1 Ų63.19%0.09432%0.315CS..Hα-helixtrans-63.4-41.5175.4178.256.6000111.5L8 Y17 P20 N28 N148 G153 V154 I155L8-L151 HydrophobicContact CD2-CD1 3.67Å; Y17-L151 HydrophobicContact CD2-CD1 4.5Å; Y17-L151 HydrophobicContact CD2-CD2 3.7Å; Y17-L151 HydrophobicContact CD2-CG 4.27Å; Y17-L151 HydrophobicContact CE2-CD2 4.03Å; Y17-L151 HydrophobicContact CG-CD2 3.97Å; P20-L151 HydrophobicContact CB-CD2 3.96Å; P20-L151 HydrophobicContact CG-CB 4.26Å; P20-L151 HydrophobicContact CG-CD2 4.14Å; P20-L151 HydrophobicContact CG-CG 4.31Å; N28-L151 HydrophobicContact CB-CD2 3.93Å; N148-L151 HydrophobicContact CB-CB 4.01Å; N148-L151 VanDerWaalsContact CG-CB 3.41Å; N148-L151 PolarHBondContact O-N 2.93Å; N148-L151 PolarHBondContact OD1-N 3.38Å; L151-G153 VanDerWaalsContact C-N 3.35Å; L151-G153 PolarHBondContact O-N 2.93Å; L151-V154 WeakPolarHBondContact O-CB 3.49Å; L151-V154 PolarHBondContact O-N 3.12Å; L151-I155 HydrophobicContact CD1-CD1 4.17Å; L151-I155 HydrophobicContact CD1-CG1 4.26Å; L151-I155 HydrophobicContact CG-CD1 4.06Å; L151-I155 WeakPolarHBondContact O-CG1 3.48Å; L151-I155 PolarHBondContact O-N 3.09Å
152E80.4Confident76.9Confident66 Ų6668.5 Ų68.531%0.30834%0.338SS..Hα-helixtrans-55.3-51.1170.2-62.3-177.6130.500110.5E19 P20 N148 V154 I155 D156E19-E152 VanDerWaalsContact CA-OE1 3.26Å; E19-E152 WeakPolarHBondContact CA-OE1 3.46Å; E19-E152 PolarHBondContact N-OE1 2.83Å; E19-E152 VanDerWaalsContact N-OE1 3.09Å; P20-E152 VanDerWaalsContact CD-CG 3.41Å; P20-E152 WeakPolarHBondContact CD-OE1 3.32Å; P20-E152 HydrophobicContact CG-CG 3.73Å; N148-E152 PolarHBondContact O-N 2.82Å; E152-V154 PolarHBondContact O-N 2.89Å; E152-I155 PolarHBondContact O-N 3.49Å; E152-D156 VanDerWaalsContact O-CB 3.23Å; E152-D156 WeakPolarHBondContact O-CB 3.32Å; E152-D156 PolarHBondContact O-N 3.1Å
153G79.5Confident76.4Confident27 Ų2770.5 Ų70.528%0.27836%0.356SS..Hα-helixtrans-66.6-13.4175.500000115.5R149 V150 L151 R157R149-G153 PolarHBondContact O-N 3.4Å; R149-G153 VanDerWaalsContact O-N 3.1Å; V150-G153 CarbonylContact O-C 3.6Å; V150-G153 PolarHBondContact O-N 3.47Å; L151-G153 VanDerWaalsContact C-N 3.35Å; L151-G153 PolarHBondContact O-N 2.93Å; G153-R157 PolarHBondContact O-NE 3.06Å; G153-R157 PolarHBondContact O-NH2 2.79Å
154V82.8Confident75.6Confident46 Ų4664.1 Ų64.128%0.27935%0.349SS..Hα-helixtrans-84.1-48.7169.2170.80000109.9L8 V150 L151 E152 D156 R157 Y158L8-V154 HydrophobicContact CD2-CG1 3.73Å; V150-V154 WeakPolarHBondContact O-CG2 3.38Å; V150-V154 PolarHBondContact O-N 3.04Å; L151-V154 WeakPolarHBondContact O-CB 3.49Å; L151-V154 PolarHBondContact O-N 3.12Å; E152-V154 PolarHBondContact O-N 2.89Å; V154-D156 VanDerWaalsContact C-N 3.27Å; V154-D156 PolarHBondContact O-N 2.78Å; V154-R157 VanDerWaalsContact CG2-NH2 3.3Å; V154-R157 PolarHBondContact O-N 2.93Å; V154-R157 VanDerWaalsContact O-N 3.12Å; V154-Y158 WeakPolarHBondContact O-CB 3.36Å; V154-Y158 PolarHBondContact O-N 3.11Å
155I81.5Confident75.1Confident9 Ų964.9 Ų64.95%0.04635%0.353CS..Hα-helixtrans-55.6-46.1175.7-69.3167.4000110.2L8 F16 Y17 L151 E152 R157 Y158 Q159L8-I155 HydrophobicContact CB-CG1 4.15Å; L8-I155 HydrophobicContact CD2-CG1 3.94Å; L8-I155 HydrophobicContact CG-CG1 4.44Å; F16-I155 HydrophobicContact CB-CG2 3.95Å; F16-I155 HydrophobicContact CD1-CG2 4.11Å; F16-I155 HydrophobicContact CG-CG2 4.2Å; Y17-I155 HydrophobicContact CD2-CD1 4.08Å; Y17-I155 HydrophobicContact CG-CD1 4.36Å; L151-I155 HydrophobicContact CD1-CD1 4.17Å; L151-I155 HydrophobicContact CD1-CG1 4.26Å; L151-I155 HydrophobicContact CG-CD1 4.06Å; L151-I155 WeakPolarHBondContact O-CG1 3.48Å; L151-I155 PolarHBondContact O-N 3.09Å; E152-I155 PolarHBondContact O-N 3.49Å; I155-R157 VanDerWaalsContact C-N 3.31Å; I155-R157 PolarHBondContact O-N 3.11Å; I155-Y158 PolarHBondContact O-N 3.17Å; I155-Q159 HydrophobicContact CG2-CG 4.21Å; I155-Q159 VanDerWaalsContact CG2-NE2 3.34Å; I155-Q159 WeakPolarHBondContact O-CB 3.29Å; I155-Q159 WeakPolarHBondContact O-CG 3.39Å; I155-Q159 PolarHBondContact O-N 3.02Å
156D75.4Confident74.7Confident79 Ų7965.2 Ų65.242%0.42236%0.356SS..Hα-helixtrans-59.7-42.5179.4-152.933.1000110.9E152 V154 Q160E152-D156 VanDerWaalsContact O-CB 3.23Å; E152-D156 WeakPolarHBondContact O-CB 3.32Å; E152-D156 PolarHBondContact O-N 3.1Å; V154-D156 VanDerWaalsContact C-N 3.27Å; V154-D156 PolarHBondContact O-N 2.78Å; D156-Q160 WeakPolarHBondContact O-CB 3.25Å; D156-Q160 WeakPolarHBondContact O-CG 3.38Å; D156-Q160 PolarHBondContact O-N 3.02Å; D156-Q160 PolarHBondContact O-NE2 2.83Å; D156-Q160 VanDerWaalsContact O-NE2 3.16Å; D156-Q160 PolarHBondContact OD1-NE2 3.24Å; D156-Q160 PolarHBondContact OD2-NE2 3.21Å
157R77.4Confident74.7Confident153 Ų15367.9 Ų67.958%0.57736%0.36SS*.Hα-helixtrans-68.7-43.7173.7-79.3178.4-71.3155.73112.8G153 V154 I155 Q160 S161G153-R157 PolarHBondContact O-NE 3.06Å; G153-R157 PolarHBondContact O-NH2 2.79Å; V154-R157 VanDerWaalsContact CG2-NH2 3.3Å; V154-R157 PolarHBondContact O-N 2.93Å; V154-R157 VanDerWaalsContact O-N 3.12Å; I155-R157 VanDerWaalsContact C-N 3.31Å; I155-R157 PolarHBondContact O-N 3.11Å; R157-Q160 CarbonylContact O-C 3.5Å; R157-Q160 PolarHBondContact O-N 2.85Å; R157-S161 PolarHBondContact O-N 2.95Å; R157-S161 PolarHBondContact O-OG 2.95Å; R157-S161 VanDerWaalsContact O-OG 3.09Å
158Y76.9Confident74.8Confident11 Ų1164.2 Ų64.24%0.04334%0.344CS..Hα-helixtrans-61-48.6179-178.8-91.9000111.4M1 M4 E5 L8 F16 V154 I155 Q160 S161 K162M1-Y158 HydrophobicContact CG-CE2 3.78Å; M1-Y158 PolarHBondContact O-OH 3.3Å; M1-Y158 VanDerWaalsContact O-OH 3.05Å; M1-Y158 HydrophobicContact SD-CE2 4.48Å; M4-Y158 HydrophobicContact CB-CE2 4.07Å; M4-Y158 HydrophobicContact CG-CD2 4.2Å; M4-Y158 HydrophobicContact CG-CE2 4.06Å; M4-Y158 HydrophobicContact SD-CD2 3.89Å; M4-Y158 HydrophobicContact SD-CE2 4.13Å; E5-Y158 HydrophobicContact CB-CE1 4.39Å; E5-Y158 WeakPolarHBondContact CB-OH 3.49Å; E5-Y158 HydrophobicContact CG-CE1 3.95Å; E5-Y158 PolarHBondContact OE2-OH 3.2Å; L8-Y158 HydrophobicContact CD1-CD1 3.75Å; L8-Y158 HydrophobicContact CD1-CD2 3.7Å; L8-Y158 HydrophobicContact CD1-CE1 4.35Å; L8-Y158 HydrophobicContact CD1-CE2 4.29Å; L8-Y158 HydrophobicContact CD1-CG 3.41Å; L8-Y158 VanDerWaalsContact CD1-CG 3.41Å; F16-Y158 HydrophobicContact CE1-CD1 4.07Å; F16-Y158 HydrophobicContact CE1-CE1 4.12Å; F16-Y158 HydrophobicContact CZ-CD1 4.3Å; F16-Y158 HydrophobicContact CZ-CE1 4.12Å; V154-Y158 WeakPolarHBondContact O-CB 3.36Å; V154-Y158 PolarHBondContact O-N 3.11Å; I155-Y158 PolarHBondContact O-N 3.17Å; Y158-Q160 VanDerWaalsContact C-N 3.33Å; Y158-Q160 PolarHBondContact O-N 3.38Å; Y158-S161 WeakPolarHBondContact CA-OG 3.19Å; Y158-S161 PolarHBondContact O-N 2.84Å; Y158-S161 PolarHBondContact O-OG 3.45Å; Y158-K162 HydrophobicContact CE1-CD 4.29Å; Y158-K162 WeakPolarHBondContact O-CB 3.37Å; Y158-K162 PolarHBondContact O-N 3.49Å
159Q74.6Confident74.7Confident75 Ų7568.2 Ų68.235%0.3536%0.362SS..Hα-helixtrans-63.2-38.4173.6-69.6179.83.700111.5F16 I155 S161 K162 A163F16-Q159 HydrophobicContact CE2-CG 4.44Å; I155-Q159 HydrophobicContact CG2-CG 4.21Å; I155-Q159 VanDerWaalsContact CG2-NE2 3.34Å; I155-Q159 WeakPolarHBondContact O-CB 3.29Å; I155-Q159 WeakPolarHBondContact O-CG 3.39Å; I155-Q159 PolarHBondContact O-N 3.02Å; Q159-S161 VanDerWaalsContact C-N 3.33Å; Q159-S161 PolarHBondContact O-N 3.06Å; Q159-K162 PolarHBondContact O-N 3.1Å; Q159-A163 WeakPolarHBondContact O-CB 3.37Å; Q159-A163 PolarHBondContact O-N 3Å
160Q66.8Low74.8Confident39 Ų3964 Ų6418%0.18235%0.351CS..Hα-helixtrans-69-27.3176.2-72.9159.236.100113.4D156 R157 Y158 R220D156-Q160 WeakPolarHBondContact O-CB 3.25Å; D156-Q160 WeakPolarHBondContact O-CG 3.38Å; D156-Q160 PolarHBondContact O-N 3.02Å; D156-Q160 PolarHBondContact O-NE2 2.83Å; D156-Q160 VanDerWaalsContact O-NE2 3.16Å; D156-Q160 PolarHBondContact OD1-NE2 3.24Å; D156-Q160 PolarHBondContact OD2-NE2 3.21Å; R157-Q160 CarbonylContact O-C 3.5Å; R157-Q160 PolarHBondContact O-N 2.85Å; Y158-Q160 VanDerWaalsContact C-N 3.33Å; Y158-Q160 PolarHBondContact O-N 3.38Å; Q160-R220 VanDerWaalsContact OE1-CZ 3.3Å
161S64.2Low74.9Confident64 Ų6460.3 Ų60.345%0.44833%0.33SS..Hα-helixtrans-80.2-32.6169.247.60000113.7R157 Y158 Q159 A164R157-S161 PolarHBondContact O-N 2.95Å; R157-S161 PolarHBondContact O-OG 2.95Å; R157-S161 VanDerWaalsContact O-OG 3.09Å; Y158-S161 WeakPolarHBondContact CA-OG 3.19Å; Y158-S161 PolarHBondContact O-N 2.84Å; Y158-S161 PolarHBondContact O-OG 3.45Å; Q159-S161 VanDerWaalsContact C-N 3.33Å; Q159-S161 PolarHBondContact O-N 3.06Å; S161-A164 WeakPolarHBondContact O-CB 3.28Å
162K65.1Low74.5Confident116 Ų11666.5 Ų66.550%0.50436%0.358SS..Hα-helixtrans-75.3-30.7174.9-158.6173.9-171-178.90111.8E5 Y158 Q159 A164E5-K162 IonicContact OE2-NZ 3.34Å; E5-K162 PolarHBondContact OE2-NZ 2.86Å; Y158-K162 HydrophobicContact CE1-CD 4.29Å; Y158-K162 WeakPolarHBondContact O-CB 3.37Å; Y158-K162 PolarHBondContact O-N 3.49Å; Q159-K162 PolarHBondContact O-N 3.1Å; K162-A164 PolarHBondContact O-N 2.86Å; K162-A164 VanDerWaalsContact O-N 3.15Å
163A60.9Low73.7Confident57 Ų5772.5 Ų72.547%0.47138%0.383SS..THydrogen-bonded Turntrans-84.841.4175.300000113.2Q159 A165Q159-A163 WeakPolarHBondContact O-CB 3.37Å; Q159-A163 PolarHBondContact O-N 3Å; A163-A165 PolarHBondContact O-N 3.16Å
164A55.6Low73.5Confident81 Ų8175.2 Ų75.267%0.66940%0.403SS*.  trans-78.146.5-17700000113.8S161 K162S161-A164 WeakPolarHBondContact O-CB 3.28Å; K162-A164 PolarHBondContact O-N 2.86Å; K162-A164 VanDerWaalsContact O-N 3.15Å
165A59.7Low73.2Confident48 Ų4876.2 Ų76.240%0.39741%0.41SS..  trans-147.185.2170.500000109.4A163 E177A163-A165 PolarHBondContact O-N 3.16Å; A165-E177 WeakPolarHBondContact CA-OE1 3.34Å; A165-E177 HydrophobicContact CB-CG 4.48Å
166L73.7Confident73.2Confident38 Ų3882.1 Ų82.120%0.19944%0.436CS..PPolyproline II helixtrans-69.6131.7176.3-71.5169.1000109E177 A178 F188 P212L166-E177 CarbonylContact O-C 3.59Å; L166-A178 WeakPolarHBondContact O-CB 3.37Å; L166-A178 PolarHBondContact O-N 2.98Å; L166-F188 HydrophobicContact CD1-CD1 4.49Å; L166-F188 HydrophobicContact CD1-CE1 3.9Å; L166-F188 HydrophobicContact CD1-CZ 4.46Å; L166-P212 HydrophobicContact CB-CB 4.31Å; L166-P212 HydrophobicContact CD1-CB 3.61Å
167K79.5Confident73.5Confident129 Ų12983.9 Ų83.956%0.56144%0.441SS*.BIsolated β-bridgetrans-101.1147.3-172.5-61.2-170.2175.8-169.20112.8P175 K176K167-P175 HydrophobicContact CB-CB 4.27Å; K167-P175 HydrophobicContact CD-CG 4.35Å; K167-K176 WeakPolarHBondContact CA-O 3.34Å
168C84.7Confident73.7Confident3 Ų377 Ų772%0.0242%0.417CS..PPolyproline II helixtrans-66.3132.8177.2179.50000111.4C171 P175 K176 F188 C190 C193C168-C171 VanDerWaalsContact SG-SG 3.61Å; C168-P175 WeakPolarHBondContact O-CB 3.49Å; C168-K176 WeakPolarHBondContact CB-O 3.33Å; C168-K176 PolarHBondContact N-O 3.21Å; C168-F188 WeakPolarHBondContact CA-O 3.48Å; C168-C190 HydrophobicContact CB-CB 3.82Å; C168-C190 PolarHBondContact SG-N 3.25Å; C168-C190 VanDerWaalsContact SG-SG 3.61Å; C168-C193 VanDerWaalsContact SG-CB 3.59Å
169Q81.8Confident74Confident112 Ų11279.3 Ų79.352%0.52343%0.432SS..THydrogen-bonded Turntrans-88.4-8.1-176-67166-54.200113.7V187 F188Q169-V187 HydrophobicContact CB-CG1 4.43Å; Q169-F188 HydrophobicContact CG-CB 4.49Å; Q169-F188 PolarHBondContact N-O 3.12Å
170L84.6Confident74.5Confident67 Ų6776.5 Ų76.535%0.35142%0.42SS..THydrogen-bonded Turntrans-114.623.7-177.1-57.4-178.3000113.2V187 Y189 C193 C197L170-V187 HydrophobicContact CD1-CG1 4.26Å; L170-V187 HydrophobicContact CG-CG1 4.23Å; L170-Y189 HydrophobicContact CD1-CD1 3.89Å; L170-Y189 HydrophobicContact CD1-CE1 3.48Å; L170-Y189 VanDerWaalsContact CD1-CE1 3.48Å; L170-C193 HydrophobicContact CB-CB 4.23Å; L170-C193 PolarHBondContact O-SG 3.25Å; L170-C197 HydrophobicContact CD1-CB 3.78Å
171C84.9Confident75.4Confident29 Ų2974.8 Ų74.820%0.19641%0.412CS..  trans-93107.2172.7-72.20000110.5C168 K173 P175 C193C168-C171 VanDerWaalsContact SG-SG 3.61Å; C171-K173 PolarHBondContact O-N 2.93Å; C171-P175 HydrophobicContact CB-CB 4.17Å; C171-C193 VanDerWaalsContact SG-SG 3.66Å
172E74.4Confident76.3Confident147 Ų14771.7 Ų71.769%0.68739%0.391SS*.SBendtrans-59.4-27-178.3-63.5149.9-122.600113.9R196E172-R196 IonicContact OE1-CZ 3.2Å; E172-R196 VanDerWaalsContact OE1-CZ 3.28Å; E172-R196 IonicContact OE1-NH1 2.67Å; E172-R196 PolarHBondContact OE1-NH1 2.86Å; E172-R196 IonicContact OE1-NH2 3.19Å; E172-R196 PolarHBondContact OE1-NH2 3.3Å
173K64.6Low77.1Confident193 Ų19368.6 Ų68.684%0.83938%0.378SS*.SBendtrans-140.6136.3172.6-63.1-176.4-178.2178.70109.4C171C171-K173 PolarHBondContact O-N 2.93Å
174A73.9Confident78.1Confident84 Ų8470.7 Ų70.769%0.69438%0.378SS*.SBendtrans47.487.8179.100000114.5K176A174-K176 PolarHBondContact O-N 3.3Å
175P77.6Confident79.3Confident66 Ų6669 Ų6943%0.42936%0.361SS..  trans-65.6111.1-173.826.9-34.7000112.5K167 C168 C171K167-P175 HydrophobicContact CB-CB 4.27Å; K167-P175 HydrophobicContact CD-CG 4.35Å; C168-P175 WeakPolarHBondContact O-CB 3.49Å; C171-P175 HydrophobicContact CB-CB 4.17Å
176K80.7Confident80.3Confident134 Ų13469.7 Ų69.758%0.58336%0.358SS*.PPolyproline II helixtrans-68.1161.8175.9-61.3-170.8177.9-171.70110.8K167 C168 A174 C190K167-K176 WeakPolarHBondContact CA-O 3.34Å; C168-K176 WeakPolarHBondContact CB-O 3.33Å; C168-K176 PolarHBondContact N-O 3.21Å; A174-K176 PolarHBondContact O-N 3.3Å; K176-C190 HydrophobicContact CB-CB 4.22Å
177E82.2Confident80.7Confident116 Ų11669.6 Ų69.654%0.54236%0.359SS..BIsolated β-bridgetrans-59.8139.5172.5-168.4167.6-16900111.4A165 L166 C190A165-E177 WeakPolarHBondContact CA-OE1 3.34Å; A165-E177 HydrophobicContact CB-CG 4.48Å; L166-E177 CarbonylContact O-C 3.59Å; E177-C190 WeakPolarHBondContact O-CB 3.23Å
178A82Confident80.9Confident8 Ų864.4 Ų64.47%0.06634%0.336CS..PPolyproline II helixtrans-82.4136.6177.800000110.2L166 F188 Y189 P212L166-A178 WeakPolarHBondContact O-CB 3.37Å; L166-A178 PolarHBondContact O-N 2.98Å; A178-F188 HydrophobicContact CB-CB 3.86Å; A178-F188 HydrophobicContact CB-CD1 4.46Å; A178-Y189 CarbonylContact C-O 2.97Å; A178-Y189 WeakPolarHBondContact CA-O 3.08Å; A178-P212 HydrophobicContact CB-CG 4.3Å; A178-P212 WeakPolarHBondContact O-CG 3.24Å
179T82.4Confident81Confident59 Ų5964.8 Ų64.836%0.36234%0.337SS..SBendtrans-103.6-22.1179.855.50000111.9Y189 D191 P212T179-Y189 PolarHBondContact N-O 2.84Å; T179-Y189 PolarHBondContact OG1-O 2.88Å; T179-D191 WeakPolarHBondContact CB-OD1 3.48Å; T179-D191 PolarHBondContact OG1-N 3.12Å; T179-D191 VanDerWaalsContact OG1-N 3.12Å; T179-D191 PolarHBondContact OG1-OD1 3.43Å; T179-P212 WeakPolarHBondContact O-CD 3.41Å
180V85.1Confident81.3Confident16 Ų1659.7 Ų59.710%0.09731%0.314CS..EExtended strand (participates in β ladder)trans-140.8157173.9-59.40000111.9Y189 R194 L209 V210V180-Y189 HydrophobicContact CG2-CD2 4.31Å; V180-Y189 PolarHBondContact N-O 2.69Å; V180-Y189 VanDerWaalsContact N-O 3.12Å; V180-Y189 PolarHBondContact O-N 2.9Å; V180-R194 HydrophobicContact CG2-CB 4.29Å; V180-R194 HydrophobicContact CG2-CG 4.07Å; V180-L209 HydrophobicContact CB-CB 4.43Å; V180-L209 HydrophobicContact CG2-CD1 4.41Å; V180-L209 HydrophobicContact CG2-CD2 4.45Å; V180-V210 WeakPolarHBondContact CA-O 3.43Å
181M85.8Confident81.3Confident3 Ų359.5 Ų59.52%0.01531%0.313CS..EExtended strand (participates in β ladder)trans-114.1141159.2-164.9-166.393.700108.6E183 V187 F188 L209 V210M181-E183 HydrophobicContact CE-CG 4.17Å; M181-V187 WeakPolarHBondContact CA-O 3.44Å; M181-V187 WeakPolarHBondContact CG-O 3.49Å; M181-F188 HydrophobicContact CB-CD1 3.76Å; M181-F188 HydrophobicContact CB-CE1 3.7Å; M181-F188 HydrophobicContact CB-CZ 4.41Å; M181-F188 HydrophobicContact CG-CD1 3.76Å; M181-F188 HydrophobicContact CG-CD2 4.33Å; M181-F188 HydrophobicContact CG-CE1 3.59Å; M181-F188 HydrophobicContact CG-CE2 4.17Å; M181-F188 HydrophobicContact CG-CG 4.14Å; M181-F188 HydrophobicContact CG-CZ 3.81Å; M181-F188 HydrophobicContact SD-CD1 4.43Å; M181-F188 HydrophobicContact SD-CE1 3.66Å; M181-F188 HydrophobicContact SD-CE2 4.01Å; M181-F188 HydrophobicContact SD-CZ 3.41Å; M181-F188 WeakPolarHBondContact SD-CZ 3.49Å; M181-L209 WeakPolarHBondContact O-CA 3.47Å; M181-V210 HydrophobicContact CB-CG2 4.25Å; M181-V210 HydrophobicContact CE-CG2 4.44Å; M181-V210 PolarHBondContact N-O 3.33Å; M181-V210 PolarHBondContact O-N 2.89Å
182C83.4Confident81.4Confident0 Ų061.5 Ų61.50%033%0.326CS..EExtended strand (participates in β ladder)trans-90127.3166.5178.60000109.5C185 D186 V187 Y189 H198 L209C182-C185 HydrophobicContact CB-CB 3.98Å; C182-C185 PolarHBondContact SG-N 2.75Å; C182-D186 WeakPolarHBondContact O-CA 3.49Å; C182-D186 PolarHBondContact O-N 2.81Å; C182-V187 PolarHBondContact N-O 3.4Å; C182-Y189 HydrophobicContact CB-CE2 3.75Å; C182-H198 PolarHBondContact SG-NE2 3.49Å; C182-L209 HydrophobicContact CB-CD2 3.58Å
183E81.1Confident82Confident51 Ų5154.8 Ų54.824%0.23830%0.295CS..THydrogen-bonded Turntrans-72-30.4179.9-67.7-176.8135.600113M181 R208 V210M181-E183 HydrophobicContact CE-CG 4.17Å; E183-R208 PolarHBondContact N-O 3.38Å; E183-R208 IonicContact OE1-NH1 3.44Å; E183-R208 PolarHBondContact OE1-NH1 3.46Å; E183-R208 WeakPolarHBondContact OE2-CB 3.48Å; E183-R208 WeakPolarHBondContact OE2-CD 3.4Å; E183-R208 VanDerWaalsContact OE2-CG 3.3Å; E183-R208 WeakPolarHBondContact OE2-CG 3.46Å; E183-R208 IonicContact OE2-CZ 3.33Å; E183-R208 IonicContact OE2-NE 2.94Å; E183-R208 IonicContact OE2-NH1 2.75Å; E183-R208 PolarHBondContact OE2-NH1 3.35Å; E183-V210 HydrophobicContact CG-CG1 3.98Å; E183-V210 HydrophobicContact CG-CG2 3.79Å
184Q82.7Confident83.1Confident100 Ų10048.7 Ų48.747%0.46727%0.267SS..THydrogen-bonded Turntrans-91.1-30.4-176.1-65.372.823.200113.2H207Q184-H207 HydrophobicContact CB-CB 4.3Å
185C81.4Confident83.5Confident46 Ų4649.7 Ų49.731%0.31126%0.26SS..THydrogen-bonded Turntrans-88-15.3170.3-62.40000112.7C182 V187 H207C182-C185 HydrophobicContact CB-CB 3.98Å; C182-C185 PolarHBondContact SG-N 2.75Å; C185-V187 WeakPolarHBondContact O-CG2 3.41Å; C185-V187 PolarHBondContact O-N 2.87Å; C185-H207 VanDerWaalsContact SG-CE1 3.53Å; C185-H207 PolarHBondContact SG-ND1 2.81Å
186D79.3Confident83.8Confident63 Ų6354 Ų5434%0.33727%0.268SS..  trans55.231.4-178.4-156.226.8000115.2C182 R219C182-D186 WeakPolarHBondContact O-CA 3.49Å; C182-D186 PolarHBondContact O-N 2.81Å; D186-R219 VanDerWaalsContact CG-NE 3.29Å; D186-R219 PolarHBondContact O-NH2 3.37Å; D186-R219 IonicContact OD1-CZ 2.77Å; D186-R219 IonicContact OD1-NE 2.83Å; D186-R219 PolarHBondContact OD1-NE 2.87Å; D186-R219 IonicContact OD1-NH2 3.29Å; D186-R219 PolarHBondContact OD1-NH2 3.03Å; D186-R219 IonicContact OD2-CZ 3.72Å; D186-R219 IonicContact OD2-NE 2.75Å; D186-R219 PolarHBondContact OD2-NE 2.81Å; D186-R219 VanDerWaalsContact OD2-NE 3.07Å; D186-R219 IonicContact OD2-NH1 3.28Å; D186-R219 PolarHBondContact OD2-NH1 3.12Å; D186-R219 IonicContact OD2-NH2 2.8Å; D186-R219 PolarHBondContact OD2-NH2 3.45Å
187V81.9Confident83.7Confident35 Ų3550.2 Ų50.221%0.21226%0.257CS..  trans-117.4144.9-175.9167.10000111.7Q169 L170 M181 C182 C185 Y189Q169-V187 HydrophobicContact CB-CG1 4.43Å; L170-V187 HydrophobicContact CD1-CG1 4.26Å; L170-V187 HydrophobicContact CG-CG1 4.23Å; M181-V187 WeakPolarHBondContact CA-O 3.44Å; M181-V187 WeakPolarHBondContact CG-O 3.49Å; C182-V187 PolarHBondContact N-O 3.4Å; C185-V187 WeakPolarHBondContact O-CG2 3.41Å; C185-V187 PolarHBondContact O-N 2.87Å; V187-Y189 HydrophobicContact CB-CE2 3.76Å; V187-Y189 HydrophobicContact CG1-CD1 4.41Å; V187-Y189 HydrophobicContact CG1-CD2 4.09Å; V187-Y189 HydrophobicContact CG1-CE1 4Å; V187-Y189 HydrophobicContact CG1-CE2 3.62Å; V187-Y189 HydrophobicContact CG1-CG 4.45Å; V187-Y189 VanDerWaalsContact O-CD2 3.3Å; V187-Y189 WeakPolarHBondContact O-CD2 3.4Å; V187-Y189 VanDerWaalsContact O-CE2 3.22Å; V187-Y189 WeakPolarHBondContact O-CE2 3.35Å
188F85.3Confident83.8Confident21 Ų2145.1 Ų45.19%0.09223%0.233CC..EExtended strand (participates in β ladder)trans-96126.6174.9-67-85.6000111.8L166 C168 Q169 A178 M181 P212L166-F188 HydrophobicContact CD1-CD1 4.49Å; L166-F188 HydrophobicContact CD1-CE1 3.9Å; L166-F188 HydrophobicContact CD1-CZ 4.46Å; C168-F188 WeakPolarHBondContact CA-O 3.48Å; Q169-F188 HydrophobicContact CG-CB 4.49Å; Q169-F188 PolarHBondContact N-O 3.12Å; A178-F188 HydrophobicContact CB-CB 3.86Å; A178-F188 HydrophobicContact CB-CD1 4.46Å; M181-F188 HydrophobicContact CB-CD1 3.76Å; M181-F188 HydrophobicContact CB-CE1 3.7Å; M181-F188 HydrophobicContact CB-CZ 4.41Å; M181-F188 HydrophobicContact CG-CD1 3.76Å; M181-F188 HydrophobicContact CG-CD2 4.33Å; M181-F188 HydrophobicContact CG-CE1 3.59Å; M181-F188 HydrophobicContact CG-CE2 4.17Å; M181-F188 HydrophobicContact CG-CG 4.14Å; M181-F188 HydrophobicContact CG-CZ 3.81Å; M181-F188 HydrophobicContact SD-CD1 4.43Å; M181-F188 HydrophobicContact SD-CE1 3.66Å; M181-F188 HydrophobicContact SD-CE2 4.01Å; M181-F188 HydrophobicContact SD-CZ 3.41Å; M181-F188 WeakPolarHBondContact SD-CZ 3.49Å; F188-P212 HydrophobicContact CD1-CB 3.91Å; F188-P212 HydrophobicContact CD1-CG 4.47Å; F188-P212 HydrophobicContact CE1-CB 3.88Å
189Y85.2Confident83.7Confident11 Ų1147.2 Ų47.24%0.04325%0.246CC..EExtended strand (participates in β ladder)trans-122136.2-176.6-53.7-102.7000111L170 A178 T179 V180 C182 V187 C193 R194 C197 H198L170-Y189 HydrophobicContact CD1-CD1 3.89Å; L170-Y189 HydrophobicContact CD1-CE1 3.48Å; L170-Y189 VanDerWaalsContact CD1-CE1 3.48Å; A178-Y189 CarbonylContact C-O 2.97Å; A178-Y189 WeakPolarHBondContact CA-O 3.08Å; T179-Y189 PolarHBondContact N-O 2.84Å; T179-Y189 PolarHBondContact OG1-O 2.88Å; V180-Y189 HydrophobicContact CG2-CD2 4.31Å; V180-Y189 PolarHBondContact N-O 2.69Å; V180-Y189 VanDerWaalsContact N-O 3.12Å; V180-Y189 PolarHBondContact O-N 2.9Å; C182-Y189 HydrophobicContact CB-CE2 3.75Å; V187-Y189 HydrophobicContact CB-CE2 3.76Å; V187-Y189 HydrophobicContact CG1-CD1 4.41Å; V187-Y189 HydrophobicContact CG1-CD2 4.09Å; V187-Y189 HydrophobicContact CG1-CE1 4Å; V187-Y189 HydrophobicContact CG1-CE2 3.62Å; V187-Y189 HydrophobicContact CG1-CG 4.45Å; V187-Y189 VanDerWaalsContact O-CD2 3.3Å; V187-Y189 WeakPolarHBondContact O-CD2 3.4Å; V187-Y189 VanDerWaalsContact O-CE2 3.22Å; V187-Y189 WeakPolarHBondContact O-CE2 3.35Å; Y189-C193 HydrophobicContact CD1-CB 4.49Å; Y189-R194 HydrophobicContact CG-CB 4.49Å; Y189-C197 HydrophobicContact CE1-CB 4.21Å; Y189-H198 HydrophobicContact CD1-CB 4.41Å; Y189-H198 HydrophobicContact CE1-CB 3.9Å; Y189-H198 AromaticContact CZ-CD2 4Å
190C89.1Confident83.3Confident4 Ų449.3 Ų49.33%0.02726%0.261CS..  trans-78.1157.3155.365.60000109.3C168 K176 E177 P192 C193 R194C168-C190 HydrophobicContact CB-CB 3.82Å; C168-C190 PolarHBondContact SG-N 3.25Å; C168-C190 VanDerWaalsContact SG-SG 3.61Å; K176-C190 HydrophobicContact CB-CB 4.22Å; E177-C190 WeakPolarHBondContact O-CB 3.23Å; C190-P192 VanDerWaalsContact C-N 3.35Å; C190-C193 CarbonylContact O-C 3.56Å; C190-C193 PolarHBondContact O-N 3.44Å; C190-R194 PolarHBondContact O-N 2.97Å
191D85.2Confident82.9Confident63 Ų6358.7 Ų58.734%0.33730%0.295SS..Hα-helixtrans-52.4-41.4-174.7-67.2-37.2000114.7T179 C193 R194 L195T179-D191 WeakPolarHBondContact CB-OD1 3.48Å; T179-D191 PolarHBondContact OG1-N 3.12Å; T179-D191 VanDerWaalsContact OG1-N 3.12Å; T179-D191 PolarHBondContact OG1-OD1 3.43Å; D191-C193 PolarHBondContact O-N 3.43Å; D191-R194 WeakPolarHBondContact O-CB 3.39Å; D191-R194 PolarHBondContact O-N 3.14Å; D191-R194 IonicContact OD1-CZ 3.4Å; D191-R194 IonicContact OD1-NE 3.12Å; D191-R194 IonicContact OD1-NH1 3.11Å; D191-R194 PolarHBondContact OD1-NH1 2.96Å; D191-R194 IonicContact OD1-NH2 2.81Å; D191-R194 PolarHBondContact OD1-NH2 3.1Å; D191-R194 VanDerWaalsContact OD1-NH2 3.09Å; D191-L195 WeakPolarHBondContact O-CG 3.21Å; D191-L195 PolarHBondContact O-N 3.45Å
192P85.8Confident82.6Confident72 Ų7261 Ų6147%0.46832%0.32SS..Hα-helixtrans-61.2-41.4174.2-25.335.4000113.8C190 L195 R196C190-P192 VanDerWaalsContact C-N 3.35Å; P192-L195 PolarHBondContact O-N 3.2Å; P192-R196 WeakPolarHBondContact O-CB 3.3Å; P192-R196 WeakPolarHBondContact O-CG 3.46Å; P192-R196 PolarHBondContact O-N 3.46Å
193C86.9Confident82.3Confident5 Ų567 Ų673%0.03436%0.358CS..Hα-helixtrans-74.8-30.9177.5-66.90000111.9C168 L170 C171 Y189 C190 D191 C197C168-C193 VanDerWaalsContact SG-CB 3.59Å; L170-C193 HydrophobicContact CB-CB 4.23Å; L170-C193 PolarHBondContact O-SG 3.25Å; C171-C193 VanDerWaalsContact SG-SG 3.66Å; Y189-C193 HydrophobicContact CD1-CB 4.49Å; C190-C193 CarbonylContact O-C 3.56Å; C190-C193 PolarHBondContact O-N 3.44Å; D191-C193 PolarHBondContact O-N 3.43Å; C193-C197 WeakPolarHBondContact O-CB 3.48Å; C193-C197 PolarHBondContact O-N 3.5Å
194R87.3Confident82.3Confident65 Ų6567.1 Ų67.125%0.24536%0.36CS..Hα-helixtrans-59.7-50.4169.5-177.6-172.769.9-145.6-6.1109.8V180 Y189 C190 D191 R196 H198 L209V180-R194 HydrophobicContact CG2-CB 4.29Å; V180-R194 HydrophobicContact CG2-CG 4.07Å; Y189-R194 HydrophobicContact CG-CB 4.49Å; C190-R194 PolarHBondContact O-N 2.97Å; D191-R194 WeakPolarHBondContact O-CB 3.39Å; D191-R194 PolarHBondContact O-N 3.14Å; D191-R194 IonicContact OD1-CZ 3.4Å; D191-R194 IonicContact OD1-NE 3.12Å; D191-R194 IonicContact OD1-NH1 3.11Å; D191-R194 PolarHBondContact OD1-NH1 2.96Å; D191-R194 IonicContact OD1-NH2 2.81Å; D191-R194 PolarHBondContact OD1-NH2 3.1Å; D191-R194 VanDerWaalsContact OD1-NH2 3.09Å; R194-R196 PolarHBondContact O-N 2.99Å; R194-H198 CarbonylContact O-C 3.48Å; R194-H198 WeakPolarHBondContact O-CA 3.38Å; R194-H198 PolarHBondContact O-N 2.86Å; R194-H198 VanDerWaalsContact O-O 3.1Å; R194-L209 HydrophobicContact CG-CD1 4.14Å
195L82.9Confident82.1Confident106 Ų10665 Ų6556%0.55536%0.36SS*.Hα-helixtrans-68.1-35.5-177.8-67.2171.9000112.9D191 P192D191-L195 WeakPolarHBondContact O-CG 3.21Å; D191-L195 PolarHBondContact O-N 3.45Å; P192-L195 PolarHBondContact O-N 3.2Å
196R83.4Confident81.9Confident157 Ų15772 Ų7259%0.59239%0.385SS*.Hα-helixtrans-69.9-46.9174.6-76.117566-158.72113.5E172 P192 R194E172-R196 IonicContact OE1-CZ 3.2Å; E172-R196 VanDerWaalsContact OE1-CZ 3.28Å; E172-R196 IonicContact OE1-NH1 2.67Å; E172-R196 PolarHBondContact OE1-NH1 2.86Å; E172-R196 IonicContact OE1-NH2 3.19Å; E172-R196 PolarHBondContact OE1-NH2 3.3Å; P192-R196 WeakPolarHBondContact O-CB 3.3Å; P192-R196 WeakPolarHBondContact O-CG 3.46Å; P192-R196 PolarHBondContact O-N 3.46Å; R194-R196 PolarHBondContact O-N 2.99Å
197C80.4Confident82.3Confident54 Ų5471.7 Ų71.737%0.36538%0.382SS..Hα-helixtrans-114.5-9.5-163.5-55.90000114.1L170 Y189 C193L170-C197 HydrophobicContact CD1-CB 3.78Å; Y189-C197 HydrophobicContact CE1-CB 4.21Å; C193-C197 WeakPolarHBondContact O-CB 3.48Å; C193-C197 PolarHBondContact O-N 3.5Å
198H84.2Confident82.3Confident8 Ų876.8 Ų76.84%0.03740%0.397CS..SBendtrans-143.254.8177.9-162.3-58000111.3C182 Y189 R194 L204 H207C182-H198 PolarHBondContact SG-NE2 3.49Å; Y189-H198 HydrophobicContact CD1-CB 4.41Å; Y189-H198 HydrophobicContact CE1-CB 3.9Å; Y189-H198 AromaticContact CZ-CD2 4Å; R194-H198 CarbonylContact O-C 3.48Å; R194-H198 WeakPolarHBondContact O-CA 3.38Å; R194-H198 PolarHBondContact O-N 2.86Å; R194-H198 VanDerWaalsContact O-O 3.1Å; H198-L204 PolarHBondContact CE1-O 3.36Å; H198-L204 VanDerWaalsContact CE1-O 3.3Å; H198-H207 AromaticContact NE2-CG 3.9Å; H198-H207 AromaticContact NE2-ND1 3.57Å
199P78Confident82.4Confident52 Ų5278.8 Ų78.834%0.33841%0.408SS..  trans-62.5153.7-178.728.3-36.2000111.9R201P199-R201 PolarHBondContact O-N 2.95Å
200P74.4Confident82.2Confident104 Ų10478.5 Ų78.568%0.67541%0.408SS*.SBendtrans-76.429.1-179.634.1-37.9000113.4
201R78.2Confident81.7Confident212 Ų21281.4 Ų81.480%0.843%0.426SS*.SBendtrans-146.2150.5-177.5-65.7-175.7178.1175.5-1.3109.4P199P199-R201 PolarHBondContact O-N 2.95Å
202G79.1Confident81.1Confident52 Ų5279.2 Ų79.254%0.53642%0.416SS..SBendtrans81.7-163.9-174.900000113.1L204 A205G202-L204 VanDerWaalsContact C-N 3.32Å; G202-L204 PolarHBondContact O-N 3.36Å; G202-A205 VanDerWaalsContact O-CB 3.26Å; G202-A205 WeakPolarHBondContact O-CB 3.47Å; G202-A205 PolarHBondContact O-N 3.41Å; G202-A205 VanDerWaalsContact O-N 3.1Å
203P77.3Confident80Confident125 Ų12579.2 Ų79.281%0.81242%0.422SS*.G310 helixtrans-57.4-38.5-168.2-27.635.6000114.8A205P203-A205 PolarHBondContact O-N 3.23Å
204L79.9Confident78.9Confident54 Ų5484.4 Ų84.428%0.28345%0.445SS..G310 helixtrans-74.4-7.2-177.2-55.5178.1000113.7H198 G202 K206 H207H198-L204 PolarHBondContact CE1-O 3.36Å; H198-L204 VanDerWaalsContact CE1-O 3.3Å; G202-L204 VanDerWaalsContact C-N 3.32Å; G202-L204 PolarHBondContact O-N 3.36Å; L204-K206 PolarHBondContact O-N 2.9Å; L204-K206 VanDerWaalsContact O-N 3.13Å; L204-H207 VanDerWaalsContact CD2-CE1 3.4Å; L204-H207 WeakPolarHBondContact CD2-CE1 3.16Å; L204-H207 WeakPolarHBondContact O-CB 3.46Å; L204-H207 PolarHBondContact O-N 2.94Å
205A79.1Confident77.6Confident55 Ų5581.3 Ų81.346%0.45543%0.434SS..G310 helixtrans-65.3-15.5-179.100000113.9G202 P203G202-A205 VanDerWaalsContact O-CB 3.26Å; G202-A205 WeakPolarHBondContact O-CB 3.47Å; G202-A205 PolarHBondContact O-N 3.41Å; G202-A205 VanDerWaalsContact O-N 3.1Å; P203-A205 PolarHBondContact O-N 3.23Å
206K78Confident76.3Confident195 Ų19579.8 Ų79.885%0.84842%0.421SS*.G310 helixtrans-85.2-5.9173.4-65.1-173.4178.7-178.20113.7L204L204-K206 PolarHBondContact O-N 2.9Å; L204-K206 VanDerWaalsContact O-N 3.13Å
207H85.8Confident74.8Confident56 Ų5676.8 Ų76.826%0.25942%0.42SS..SBendtrans-80.9139.2-178.1-66.6-173.7000111.6Q184 C185 H198 L204 L209Q184-H207 HydrophobicContact CB-CB 4.3Å; C185-H207 VanDerWaalsContact SG-CE1 3.53Å; C185-H207 PolarHBondContact SG-ND1 2.81Å; H198-H207 AromaticContact NE2-CG 3.9Å; H198-H207 AromaticContact NE2-ND1 3.57Å; L204-H207 VanDerWaalsContact CD2-CE1 3.4Å; L204-H207 WeakPolarHBondContact CD2-CE1 3.16Å; L204-H207 WeakPolarHBondContact O-CB 3.46Å; L204-H207 PolarHBondContact O-N 2.94Å; H207-L209 PolarHBondContact O-N 2.84Å
208R83.6Confident73.4Confident142 Ų14277.9 Ų77.954%0.53643%0.428SS..  trans-84.3110.8179.6-174.3164.7172.8-103.11.7109.3E183 V210E183-R208 PolarHBondContact N-O 3.38Å; E183-R208 IonicContact OE1-NH1 3.44Å; E183-R208 PolarHBondContact OE1-NH1 3.46Å; E183-R208 WeakPolarHBondContact OE2-CB 3.48Å; E183-R208 WeakPolarHBondContact OE2-CD 3.4Å; E183-R208 VanDerWaalsContact OE2-CG 3.3Å; E183-R208 WeakPolarHBondContact OE2-CG 3.46Å; E183-R208 IonicContact OE2-CZ 3.33Å; E183-R208 IonicContact OE2-NE 2.94Å; E183-R208 IonicContact OE2-NH1 2.75Å; E183-R208 PolarHBondContact OE2-NH1 3.35Å; R208-V210 HydrophobicContact CG-CG1 4.08Å
209L85.7Confident71.9Confident63 Ų6383.9 Ų83.933%0.3345%0.45SS..EExtended strand (participates in β ladder)trans-86.6128.4170.3-59.7-176.7000109.2V180 M181 C182 R194 H207V180-L209 HydrophobicContact CB-CB 4.43Å; V180-L209 HydrophobicContact CG2-CD1 4.41Å; V180-L209 HydrophobicContact CG2-CD2 4.45Å; M181-L209 WeakPolarHBondContact O-CA 3.47Å; C182-L209 HydrophobicContact CB-CD2 3.58Å; R194-L209 HydrophobicContact CG-CD1 4.14Å; H207-L209 PolarHBondContact O-N 2.84Å
210V82.3Confident70.7Confident5 Ų587.3 Ų87.33%0.0346%0.456CS..EExtended strand (participates in β ladder)trans-123.5156.4179.2-63.70000110.7V180 M181 E183 R208 Q214V180-V210 WeakPolarHBondContact CA-O 3.43Å; M181-V210 HydrophobicContact CB-CG2 4.25Å; M181-V210 HydrophobicContact CE-CG2 4.44Å; M181-V210 PolarHBondContact N-O 3.33Å; M181-V210 PolarHBondContact O-N 2.89Å; E183-V210 HydrophobicContact CG-CG1 3.98Å; E183-V210 HydrophobicContact CG-CG2 3.79Å; R208-V210 HydrophobicContact CG-CG1 4.08Å; V210-Q214 HydrophobicContact CB-CB 4.47Å
211P78.4Confident69.1Low64 Ų6489.8 Ų89.842%0.41646%0.463SS..  trans-53.2138.9168.1-2634.8000110.9A213 Q214 G215P211-A213 PolarHBondContact O-N 3Å; P211-A213 VanDerWaalsContact O-N 3.09Å; P211-Q214 HydrophobicContact CB-CB 4.49Å; P211-Q214 HydrophobicContact CB-CG 4.28Å; P211-Q214 HydrophobicContact CG-CG 4.37Å; P211-Q214 PolarHBondContact O-N 3.01Å; P211-G215 PolarHBondContact O-N 2.84Å; P211-G215 VanDerWaalsContact O-N 3.13Å
212P72.3Confident67.4Low18 Ų1883.8 Ų83.812%0.11745%0.454CS..Hα-helixtrans-54.5-34-176.9-30.237.3000114L166 A178 T179 F188 R216L166-P212 HydrophobicContact CB-CB 4.31Å; L166-P212 HydrophobicContact CD1-CB 3.61Å; A178-P212 HydrophobicContact CB-CG 4.3Å; A178-P212 WeakPolarHBondContact O-CG 3.24Å; T179-P212 WeakPolarHBondContact O-CD 3.41Å; F188-P212 HydrophobicContact CD1-CB 3.91Å; F188-P212 HydrophobicContact CD1-CG 4.47Å; F188-P212 HydrophobicContact CE1-CB 3.88Å; P212-R216 WeakPolarHBondContact O-CB 3.41Å; P212-R216 PolarHBondContact O-N 3.47Å
213A63.2Low65.6Low72 Ų7286.5 Ų86.560%0.59546%0.462SS*.Hα-helixtrans-63.9-39174.300000112.9P211P211-A213 PolarHBondContact O-N 3Å; P211-A213 VanDerWaalsContact O-N 3.09Å
214Q64Low64.3Low113 Ų11391.8 Ų91.853%0.52847%0.466SS..Hα-helixtrans-75.3-44.4-179.1-68.4-175.9-2.300111.9V210 P211 R216 V217 S218V210-Q214 HydrophobicContact CB-CB 4.47Å; P211-Q214 HydrophobicContact CB-CB 4.49Å; P211-Q214 HydrophobicContact CB-CG 4.28Å; P211-Q214 HydrophobicContact CG-CG 4.37Å; P211-Q214 PolarHBondContact O-N 3.01Å; Q214-R216 PolarHBondContact O-N 2.99Å; Q214-V217 WeakPolarHBondContact O-CB 3.17Å; Q214-V217 PolarHBondContact O-N 3.31Å; Q214-S218 PolarHBondContact O-N 3.05Å
215G58.9Low63.1Low0 Ų099 Ų990%050%0.495CS..Hα-helixtrans-59.2-31.8176.300000113.2P211 V217 S218 R219P211-G215 PolarHBondContact O-N 2.84Å; P211-G215 VanDerWaalsContact O-N 3.13Å; G215-V217 VanDerWaalsContact C-N 3.26Å; G215-V217 PolarHBondContact O-N 2.83Å; G215-S218 PolarHBondContact O-N 3.2Å; G215-R219 PolarHBondContact O-N 3.2Å
216R55.8Low62.3Low75 Ų75100.4 Ų100.428%0.28350%0.497SS..Hα-helixtrans-66-22.2173.1-151.3-173-158.7-169.87.3113.6P212 Q214 R220P212-R216 WeakPolarHBondContact O-CB 3.41Å; P212-R216 PolarHBondContact O-N 3.47Å; Q214-R216 PolarHBondContact O-N 2.99Å; R216-R220 WeakPolarHBondContact O-CB 3.2Å; R216-R220 WeakPolarHBondContact O-CD 3.25Å; R216-R220 VanDerWaalsContact O-CG 3.24Å; R216-R220 WeakPolarHBondContact O-CG 3.37Å
217V52.9Low61.9Low94 Ų9493.9 Ų93.957%0.5748%0.476SS*.Hα-helixtrans-78.2-42.4175.6-176.40000110.8Q214 G215 R219 R220Q214-V217 WeakPolarHBondContact O-CB 3.17Å; Q214-V217 PolarHBondContact O-N 3.31Å; G215-V217 VanDerWaalsContact C-N 3.26Å; G215-V217 PolarHBondContact O-N 2.83Å; V217-R219 VanDerWaalsContact C-N 3.3Å; V217-R219 PolarHBondContact O-N 2.86Å; V217-R220 WeakPolarHBondContact O-CA 3.11Å; V217-R220 PolarHBondContact O-N 3.3Å
218S50.9Low61.3Low77 Ų7793.2 Ų93.254%0.53848%0.476SS..Hα-helixtrans-57.4-40.9178.2-550000112.2Q214 G215 R220Q214-S218 PolarHBondContact O-N 3.05Å; G215-S218 PolarHBondContact O-N 3.2Å; S218-R220 PolarHBondContact O-N 2.76Å
219R52.9Low61Low133 Ų13386.8 Ų86.850%0.50245%0.453SS..THydrogen-bonded Turntrans-69.5-12.5172.7-65.5-153.6-156.2-178.910.7114.9D186 G215 V217D186-R219 VanDerWaalsContact CG-NE 3.29Å; D186-R219 PolarHBondContact O-NH2 3.37Å; D186-R219 IonicContact OD1-CZ 2.77Å; D186-R219 IonicContact OD1-NE 2.83Å; D186-R219 PolarHBondContact OD1-NE 2.87Å; D186-R219 IonicContact OD1-NH2 3.29Å; D186-R219 PolarHBondContact OD1-NH2 3.03Å; D186-R219 IonicContact OD2-CZ 3.72Å; D186-R219 IonicContact OD2-NE 2.75Å; D186-R219 PolarHBondContact OD2-NE 2.81Å; D186-R219 VanDerWaalsContact OD2-NE 3.07Å; D186-R219 IonicContact OD2-NH1 3.28Å; D186-R219 PolarHBondContact OD2-NH1 3.12Å; D186-R219 IonicContact OD2-NH2 2.8Å; D186-R219 PolarHBondContact OD2-NH2 3.45Å; G215-R219 PolarHBondContact O-N 3.2Å; V217-R219 VanDerWaalsContact C-N 3.3Å; V217-R219 PolarHBondContact O-N 2.86Å
220R52.2Low60.4Low124 Ų12488.8 Ų88.847%0.46847%0.468SS..THydrogen-bonded Turntrans-110.65.3-167-78.7-177.5175.7-112.35.4115.5Q160 R216 V217 S218 S222Q160-R220 VanDerWaalsContact OE1-CZ 3.3Å; R216-R220 WeakPolarHBondContact O-CB 3.2Å; R216-R220 WeakPolarHBondContact O-CD 3.25Å; R216-R220 VanDerWaalsContact O-CG 3.24Å; R216-R220 WeakPolarHBondContact O-CG 3.37Å; V217-R220 WeakPolarHBondContact O-CA 3.11Å; V217-R220 PolarHBondContact O-N 3.3Å; S218-R220 PolarHBondContact O-N 2.76Å; R220-S222 PolarHBondContact O-N 2.81Å
221L41.3Very low60Low156 Ų15693.3 Ų93.382%0.81749%0.492SS*.  trans-75.249.4158.6-72.2174.1000111.6
222S42.1Very low59.9Low87 Ų8792.4 Ų92.461%0.60848%0.482SS*.  trans-61.8131.1157-170.90000107R220 R224R220-S222 PolarHBondContact O-N 2.81Å; S222-R224 PolarHBondContact O-N 3.2Å
223P41.5Very low59.8Low109 Ų10999.2 Ų99.271%0.70851%0.512SS*.  trans-56.1131.9178.823.8-33.4000108.5K225P223-K225 PolarHBondContact O-N 3.09Å
224R49.5Very low60.4Low236 Ų236103.6 Ų103.689%0.89153%0.525SS*.  trans-52.4108.5-178.4-69.7-179.5179.9171.61.8108.2S222 V226S222-R224 PolarHBondContact O-N 3.2Å; R224-V226 VanDerWaalsContact C-N 3.33Å; R224-V226 PolarHBondContact O-N 2.87Å
225K55.2Low61.2Low204 Ų204101.2 Ų101.289%0.88751%0.514SS*.  trans-61.1100.7171.8-75.7-168.3174.9-172.40107.3P223P223-K225 PolarHBondContact O-N 3.09Å
226V61.5Low62.3Low85 Ų85104.4 Ų104.452%0.51553%0.531SS..  trans-59.7142.9175.2-178.60000107.2R224 T228 N236R224-V226 VanDerWaalsContact C-N 3.33Å; R224-V226 PolarHBondContact O-N 2.87Å; V226-T228 PolarHBondContact O-N 3.2Å; V226-N236 VanDerWaalsContact CB-OD1 3.26Å; V226-N236 WeakPolarHBondContact CB-OD1 2.96Å; V226-N236 HydrophobicContact CG1-CB 3.93Å; V226-N236 WeakPolarHBondContact CG1-OD1 3.17Å
227S68.9Low63.7Low58 Ų58102.4 Ų102.441%0.40653%0.525SS..  trans-69.2107.2177.356.80000108.8H237S227-H237 PolarHBondContact O-N 2.92Å; S227-H237 PolarHBondContact O-ND1 2.89Å; S227-H237 VanDerWaalsContact O-ND1 3.09Å; S227-H237 PolarHBondContact OG-ND1 2.86Å; S227-H237 VanDerWaalsContact OG-ND1 3.11Å
228T75Confident65.2Low42 Ų42100.7 Ų100.726%0.25852%0.517SS..BIsolated β-bridgetrans-75.6161.5167.753.80000111.2V226 E233 E235 H237V226-T228 PolarHBondContact O-N 3.2Å; T228-E233 WeakPolarHBondContact CB-O 3.45Å; T228-E233 WeakPolarHBondContact CG2-O 3.5Å; T228-E233 PolarHBondContact OG1-O 3.32Å; T228-E235 CarbonylContact C-O 3.57Å; T228-E235 WeakPolarHBondContact CA-O 3.33Å; T228-E235 VanDerWaalsContact CB-O 3.29Å; T228-E235 WeakPolarHBondContact CB-O 3.34Å; T228-H237 PolarHBondContact O-CE1 3.39Å
229C77.1Confident66.9Low7 Ų799.6 Ų99.65%0.04750%0.504CS..  trans-70.5152.6-179.8-1690000112H232 E235 H237 C249C229-H232 HydrophobicContact CB-CB 4Å; C229-H232 WeakPolarHBondContact CB-O 3.34Å; C229-H232 CarbonylContact O-C 3.55Å; C229-E235 PolarHBondContact N-O 3.47Å; C229-H237 WeakPolarHBondContact CA-NE2 3.42Å; C229-C249 HydrophobicContact CB-CB 4.1Å
230T73.1Confident68.6Low105 Ų10594.6 Ų94.664%0.64449%0.485SS*.SBendtrans-75-29.6174.545.40000113.2
231D72.9Confident70.4Confident100 Ų10088.7 Ų88.754%0.53546%0.463SS..SBendtrans-95.3-23.8179.1-53.2-53.4000111.3
232H77.1Confident72.6Confident45 Ų4583.2 Ų83.221%0.20844%0.436CS..  trans-128.482.9179.8-52.3103.2000110.6C229 L234 E235 Q251 C252C229-H232 HydrophobicContact CB-CB 4Å; C229-H232 WeakPolarHBondContact CB-O 3.34Å; C229-H232 CarbonylContact O-C 3.55Å; H232-L234 PolarHBondContact O-N 2.96Å; H232-L234 VanDerWaalsContact O-N 3.1Å; H232-E235 HydrophobicContact CB-CB 3.88Å; H232-E235 PolarHBondContact O-N 2.81Å; H232-Q251 PolarHBondContact CD2-OE1 3.15Å; H232-C252 PolarHBondContact CE1-SG 3.46Å; H232-C252 PolarHBondContact ND1-SG 2.88Å
233E70.6Confident74.7Confident161 Ų16183.7 Ų83.775%0.75243%0.429SS*.THydrogen-bonded Turntrans-62.8-22.3-167.5-63.2-161.6143.600115.4T228T228-E233 WeakPolarHBondContact CB-O 3.45Å; T228-E233 WeakPolarHBondContact CG2-O 3.5Å; T228-E233 PolarHBondContact OG1-O 3.32Å
234L75.9Confident76.7Confident165 Ų16581 Ų8186%0.86441%0.412SS*.THydrogen-bonded Turntrans-84.1-21.8176.7-63.7175.1000113H232H232-L234 PolarHBondContact O-N 2.96Å; H232-L234 VanDerWaalsContact O-N 3.1Å
235E79.5Confident78.4Confident62 Ų6277.5 Ų77.529%0.2940%0.403SS..SBendtrans-94.9140.1-170.3-99-54.1139.200112.7T228 C229 H232 C249 Q251T228-E235 CarbonylContact C-O 3.57Å; T228-E235 WeakPolarHBondContact CA-O 3.33Å; T228-E235 VanDerWaalsContact CB-O 3.29Å; T228-E235 WeakPolarHBondContact CB-O 3.34Å; C229-E235 PolarHBondContact N-O 3.47Å; H232-E235 HydrophobicContact CB-CB 3.88Å; H232-E235 PolarHBondContact O-N 2.81Å; E235-C249 HydrophobicContact CB-CB 3.87Å; E235-Q251 HydrophobicContact CG-CB 4.45Å; E235-Q251 HydrophobicContact CG-CG 3.98Å; E235-Q251 VanDerWaalsContact CG-OE1 3.29Å
236N83.2Confident79.7Confident68 Ų6871.6 Ų71.636%0.36438%0.379SS..BIsolated β-bridgetrans-92.2141.1-174.9-71.5-67.8000111.6V226 S238 C249V226-N236 VanDerWaalsContact CB-OD1 3.26Å; V226-N236 WeakPolarHBondContact CB-OD1 2.96Å; V226-N236 HydrophobicContact CG1-CB 3.93Å; V226-N236 WeakPolarHBondContact CG1-OD1 3.17Å; N236-S238 PolarHBondContact O-N 3.09Å; N236-S238 VanDerWaalsContact O-N 3.11Å; N236-C249 WeakPolarHBondContact O-CA 3.33Å; N236-C249 WeakPolarHBondContact O-CB 3.4Å
237H84.3Confident80.9Confident32 Ų3269.9 Ų69.915%0.14837%0.37CS..  trans-62.5115.1167.6-66.5132.9000110.5S227 T228 C229 P247 L266S227-H237 PolarHBondContact O-N 2.92Å; S227-H237 PolarHBondContact O-ND1 2.89Å; S227-H237 VanDerWaalsContact O-ND1 3.09Å; S227-H237 PolarHBondContact OG-ND1 2.86Å; S227-H237 VanDerWaalsContact OG-ND1 3.11Å; T228-H237 PolarHBondContact O-CE1 3.39Å; C229-H237 WeakPolarHBondContact CA-NE2 3.42Å; H237-P247 HydrophobicContact CB-CB 3.99Å; H237-L266 HydrophobicContact CB-CD2 4.09Å; H237-L266 WeakPolarHBondContact O-CD2 3.13Å
238S83.9Confident81.7Confident59 Ų5967.2 Ų67.241%0.41335%0.352SS..  trans-118.4-29.1-174.256.60000112.5N236 V248 L266N236-S238 PolarHBondContact O-N 3.09Å; N236-S238 VanDerWaalsContact O-N 3.11Å; S238-V248 PolarHBondContact N-O 3Å; S238-L266 WeakPolarHBondContact O-CB 3.47Å; S238-L266 PolarHBondContact O-N 3.13Å
239M87.1Confident82.3Confident53 Ų5365.2 Ų65.226%0.26134%0.339SS..EExtended strand (participates in β ladder)trans-123.9168.7-176.9-64-63.6-80.300111.1P247 V248 V263M239-P247 WeakPolarHBondContact O-CA 3.4Å; M239-V248 HydrophobicContact CB-CG2 3.9Å; M239-V248 PolarHBondContact N-O 2.89Å; M239-V248 VanDerWaalsContact N-O 3.1Å; M239-V248 PolarHBondContact O-N 3.49Å; M239-V263 HydrophobicContact CB-CB 4.32Å; M239-V263 HydrophobicContact CE-CB 3.97Å; M239-V263 HydrophobicContact CE-CG2 3.83Å
240Y88.8Confident82.6Confident28 Ų2870.9 Ų70.911%0.1136%0.361CS..EExtended strand (participates in β ladder)trans-128.8121.4176-179.8-88.4000109.9K245 V263 K264 L266 M269 H273Y240-K245 VanDerWaalsContact OH-C 3.24Å; Y240-K245 WeakPolarHBondContact OH-CA 3.47Å; Y240-K245 PolarHBondContact OH-O 2.83Å; Y240-V263 CarbonylContact O-C 3.52Å; Y240-V263 WeakPolarHBondContact O-CA 3.35Å; Y240-K264 PolarHBondContact N-O 2.62Å; Y240-K264 PolarHBondContact O-N 3.09Å; Y240-L266 HydrophobicContact CD2-CD1 4.35Å; Y240-M269 HydrophobicContact CD1-CB 4.24Å; Y240-M269 HydrophobicContact CD1-CE 3.98Å; Y240-M269 HydrophobicContact CD1-CG 3.83Å; Y240-M269 HydrophobicContact CE1-CE 3.9Å; Y240-M269 HydrophobicContact CG-CB 4.14Å; Y240-M269 HydrophobicContact CG-CG 4.08Å; Y240-H273 AromaticContact CZ-CE1 3.72Å; Y240-H273 PolarHBondContact OH-CE1 2.66Å
241C89.4Confident83Confident0 Ų069 Ų690%034%0.344CS..EExtended strand (participates in β ladder)trans-81.7121.9177.3178.80000110.1C244 K245 M246 V248 H261 V263C241-C244 HydrophobicContact CB-CB 4.3Å; C241-K245 WeakPolarHBondContact O-CA 3.46Å; C241-K245 PolarHBondContact O-N 3.27Å; C241-M246 PolarHBondContact N-O 3Å; C241-M246 PolarHBondContact O-N 3.46Å; C241-V248 HydrophobicContact CB-CG1 4.03Å; C241-H261 VanDerWaalsContact SG-CB 3.52Å; C241-V263 HydrophobicContact CB-CG1 4.26Å
242V87.3Confident83.4Confident41 Ų4164.8 Ų64.825%0.24832%0.322CS..THydrogen-bonded Turntrans-73.1-43.4-174.5-177.40000111.2K245 E262 K264V242-K245 WeakPolarHBondContact O-CG 3.35Å; V242-K245 PolarHBondContact O-N 3.4Å; V242-E262 HydrophobicContact CB-CB 4.36Å; V242-E262 HydrophobicContact CG2-CB 4.42Å; V242-E262 HydrophobicContact CG2-CG 4.2Å; V242-E262 PolarHBondContact N-O 3.35Å; V242-K264 HydrophobicContact CG2-CD 3.82Å; V242-K264 HydrophobicContact CG2-CG 4.13Å
243Q86.8Confident83.6Confident98 Ų9864.7 Ų64.746%0.45832%0.324SS..THydrogen-bonded Turntrans-63.7-51.7179-7172.513.900111.4K245 E262Q243-K245 VanDerWaalsContact C-N 3.28Å; Q243-K245 PolarHBondContact O-N 3.36Å; Q243-E262 VanDerWaalsContact NE2-CB 3.32Å; Q243-E262 PolarHBondContact OE1-O 2.66Å
244C82.7Confident83.9Confident51 Ų5162.5 Ų62.535%0.34531%0.313SS..THydrogen-bonded Turntrans-82.7-3.9-177.8-55.20000113.7C241 M246 H258C241-C244 HydrophobicContact CB-CB 4.3Å; C244-M246 VanDerWaalsContact C-N 3.27Å; C244-M246 HydrophobicContact CB-CG 3.88Å; C244-M246 HydrophobicContact CB-SD 4.02Å; C244-M246 PolarHBondContact O-N 3.33Å; C244-H258 PolarHBondContact SG-CE1 3.44Å; C244-H258 PolarHBondContact SG-ND1 2.93Å
245K85.4Confident83.5Confident163 Ų16361.7 Ų61.771%0.70931%0.305SS*.THydrogen-bonded Turntrans51.139.8178.2-59.2-177.9-174.7179.50114.4Y240 C241 V242 Q243Y240-K245 VanDerWaalsContact OH-C 3.24Å; Y240-K245 WeakPolarHBondContact OH-CA 3.47Å; Y240-K245 PolarHBondContact OH-O 2.83Å; C241-K245 WeakPolarHBondContact O-CA 3.46Å; C241-K245 PolarHBondContact O-N 3.27Å; V242-K245 WeakPolarHBondContact O-CG 3.35Å; V242-K245 PolarHBondContact O-N 3.4Å; Q243-K245 VanDerWaalsContact C-N 3.28Å; Q243-K245 PolarHBondContact O-N 3.36Å
246M82.9Confident82.9Confident80 Ų8059.9 Ų59.939%0.39430%0.303SS..EExtended strand (participates in β ladder)trans-141.6151.1-174.466.4-174.6-69.700112.6C241 C244 V248C241-M246 PolarHBondContact N-O 3Å; C241-M246 PolarHBondContact O-N 3.46Å; C244-M246 VanDerWaalsContact C-N 3.27Å; C244-M246 HydrophobicContact CB-CG 3.88Å; C244-M246 HydrophobicContact CB-SD 4.02Å; C244-M246 PolarHBondContact O-N 3.33Å; M246-V248 HydrophobicContact CG-CG1 4.32Å
247P86.3Confident82.1Confident49 Ų4965.2 Ų65.232%0.31832%0.323SS..EExtended strand (participates in β ladder)trans-65.5146.7167.930.5-35.5000110.8H237 M239 L266H237-P247 HydrophobicContact CB-CB 3.99Å; M239-P247 WeakPolarHBondContact O-CA 3.4Å; P247-L266 HydrophobicContact CB-CD1 4.11Å
248V86.3Confident81.9Confident3 Ų365 Ų652%0.01832%0.321CS..EExtended strand (participates in β ladder)trans-136.4150.1177.5-61.70000110.3S238 M239 C241 M246 C252 V263S238-V248 PolarHBondContact N-O 3Å; M239-V248 HydrophobicContact CB-CG2 3.9Å; M239-V248 PolarHBondContact N-O 2.89Å; M239-V248 VanDerWaalsContact N-O 3.1Å; M239-V248 PolarHBondContact O-N 3.49Å; C241-V248 HydrophobicContact CB-CG1 4.03Å; M246-V248 HydrophobicContact CG-CG1 4.32Å; V248-C252 HydrophobicContact CB-CB 4.23Å; V248-V263 HydrophobicContact CG2-CG1 4.18Å
249C87.6Confident81.6Confident0 Ų066.3 Ų66.30%033%0.331CS..  trans-90.2178.9170.467.90000111.1C229 E235 N236C229-C249 HydrophobicContact CB-CB 4.1Å; E235-C249 HydrophobicContact CB-CB 3.87Å; N236-C249 WeakPolarHBondContact O-CA 3.33Å; N236-C249 WeakPolarHBondContact O-CB 3.4Å
250Y82.6Confident81.2Confident126 Ų12668.7 Ų68.749%0.49435%0.353SS..SBendtrans-65.2-47.7179.9-172.8-102.1000112.6C252 L253 E254Y250-C252 VanDerWaalsContact C-N 3.31Å; Y250-C252 PolarHBondContact O-N 3.17Å; Y250-L253 WeakPolarHBondContact O-CA 3.2Å; Y250-L253 WeakPolarHBondContact O-CB 3.35Å; Y250-L253 PolarHBondContact O-N 3.38Å; Y250-E254 HydrophobicContact CE1-CB 4.31Å; Y250-E254 HydrophobicContact CE1-CG 4.47Å; Y250-E254 WeakPolarHBondContact CE1-OE1 3.34Å; Y250-E254 WeakPolarHBondContact CE1-OE2 3.46Å; Y250-E254 VanDerWaalsContact CZ-OE1 3.29Å; Y250-E254 PolarHBondContact O-N 3.21Å; Y250-E254 PolarHBondContact OH-OE1 2.94Å
251Q82.1Confident81.2Confident65 Ų6570.1 Ų70.130%0.30436%0.36SS..Hα-helixtrans-59.9-36.1178.2-74.1171.5-18.400113.1H232 E235 L253 E254 E255 G256H232-Q251 PolarHBondContact CD2-OE1 3.15Å; E235-Q251 HydrophobicContact CG-CB 4.45Å; E235-Q251 HydrophobicContact CG-CG 3.98Å; E235-Q251 VanDerWaalsContact CG-OE1 3.29Å; Q251-L253 PolarHBondContact O-N 2.89Å; Q251-E254 PolarHBondContact O-N 3.2Å; Q251-E255 PolarHBondContact O-N 3.17Å; Q251-G256 PolarHBondContact O-N 3.25Å
252C82.3Confident81.1Confident11 Ų1174.4 Ų74.47%0.07438%0.38CS..Hα-helixtrans-64.5-18.7173.6-75.10000114.7H232 V248 Y250 G256H232-C252 PolarHBondContact CE1-SG 3.46Å; H232-C252 PolarHBondContact ND1-SG 2.88Å; V248-C252 HydrophobicContact CB-CB 4.23Å; Y250-C252 VanDerWaalsContact C-N 3.31Å; Y250-C252 PolarHBondContact O-N 3.17Å; C252-G256 CarbonylContact O-C 3.52Å; C252-G256 VanDerWaalsContact O-CA 3.3Å; C252-G256 WeakPolarHBondContact O-CA 3.17Å
253L81Confident81.2Confident44 Ų4474.2 Ų74.223%0.2338%0.379CS..Hα-helixtrans-94.7-37177.9-177.364.2000111.8Y250 Q251 H258 S259 V263Y250-L253 WeakPolarHBondContact O-CA 3.2Å; Y250-L253 WeakPolarHBondContact O-CB 3.35Å; Y250-L253 PolarHBondContact O-N 3.38Å; Q251-L253 PolarHBondContact O-N 2.89Å; L253-H258 WeakPolarHBondContact CD1-O 3.16Å; L253-S259 WeakPolarHBondContact O-CA 3.48Å; L253-S259 WeakPolarHBondContact O-CB 3.32Å; L253-V263 HydrophobicContact CD1-CG1 4.01Å; L253-V263 HydrophobicContact CD1-CG2 4.08Å; L253-V263 HydrophobicContact CD2-CG2 4.02Å
254E76.6Confident81.3Confident114 Ų11473.5 Ų73.553%0.53337%0.374SS..Hα-helixtrans-85.4-47.1-176.2-168.3171.1-11300112.7Y250 Q251Y250-E254 HydrophobicContact CE1-CB 4.31Å; Y250-E254 HydrophobicContact CE1-CG 4.47Å; Y250-E254 WeakPolarHBondContact CE1-OE1 3.34Å; Y250-E254 WeakPolarHBondContact CE1-OE2 3.46Å; Y250-E254 VanDerWaalsContact CZ-OE1 3.29Å; Y250-E254 PolarHBondContact O-N 3.21Å; Y250-E254 PolarHBondContact OH-OE1 2.94Å; Q251-E254 PolarHBondContact O-N 3.2Å
255E68.4Low81.6Confident149 Ų14973.7 Ų73.770%0.69638%0.38SS*.THydrogen-bonded Turntrans-103.3-10.6-179-56.4-175.3154.900112.8Q251Q251-E255 PolarHBondContact O-N 3.17Å
256G65.8Low81.7Confident23 Ų2368.3 Ų68.324%0.23736%0.359CS..SBendtrans-109.2-179.5-163.100000117.2Q251 C252 H258 S259Q251-G256 PolarHBondContact O-N 3.25Å; C252-G256 CarbonylContact O-C 3.52Å; C252-G256 VanDerWaalsContact O-CA 3.3Å; C252-G256 WeakPolarHBondContact O-CA 3.17Å; G256-H258 PolarHBondContact O-N 3.4Å; G256-S259 PolarHBondContact O-N 3.09Å
257K67.2Low81.7Confident181 Ų18166.7 Ų66.779%0.78736%0.362SS*.THydrogen-bonded Turntrans-67.813.1-175.3-59180-179.3177.50115.3H261K257-H261 PolarHBondContact O-CE1 3.48Å; K257-H261 PolarHBondContact O-ND1 2.88Å
258H79.6Confident81.7Confident26 Ų2667.2 Ų67.212%0.1237%0.371CS..THydrogen-bonded Turntrans-124.33.8-175.7-57.1-98000114.5C244 L253 G256 S260 H261C244-H258 PolarHBondContact SG-CE1 3.44Å; C244-H258 PolarHBondContact SG-ND1 2.93Å; L253-H258 WeakPolarHBondContact CD1-O 3.16Å; G256-H258 PolarHBondContact O-N 3.4Å; H258-S260 PolarHBondContact O-N 3.11Å; H258-S260 VanDerWaalsContact O-N 3.14Å; H258-H261 HydrophobicContact CB-CB 4.48Å; H258-H261 AromaticContact CG-ND1 3.94Å; H258-H261 AromaticContact ND1-ND1 3.54Å; H258-H261 PolarHBondContact O-N 2.64Å
259S77.2Confident81.9Confident87 Ų8768 Ų6861%0.60838%0.375SS*.THydrogen-bonded Turntrans-55.3-28.5177.554.60000114.4L253 G256L253-S259 WeakPolarHBondContact O-CA 3.48Å; L253-S259 WeakPolarHBondContact O-CB 3.32Å; G256-S259 PolarHBondContact O-N 3.09Å
260S79.1Confident81.8Confident103 Ų10374.9 Ų74.972%0.7240%0.401SS*.THydrogen-bonded Turntrans-99.112176.664.20000114.8H258H258-S260 PolarHBondContact O-N 3.11Å; H258-S260 VanDerWaalsContact O-N 3.14Å
261H87.8Confident82.1Confident59 Ų5975.9 Ų75.927%0.27341%0.408SS..SBendtrans-107.3148.5-177.1-66.3142000112.8C241 K257 H258 V263C241-H261 VanDerWaalsContact SG-CB 3.52Å; K257-H261 PolarHBondContact O-CE1 3.48Å; K257-H261 PolarHBondContact O-ND1 2.88Å; H258-H261 HydrophobicContact CB-CB 4.48Å; H258-H261 AromaticContact CG-ND1 3.94Å; H258-H261 AromaticContact ND1-ND1 3.54Å; H258-H261 PolarHBondContact O-N 2.64Å; H261-V263 PolarHBondContact O-N 2.79Å
262E87.6Confident82.5Confident89 Ų8976.8 Ų76.842%0.41641%0.414SS..  trans-67.9118.2174.2-171.6-166.1-172.600109.7V242 Q243 K264V242-E262 HydrophobicContact CB-CB 4.36Å; V242-E262 HydrophobicContact CG2-CB 4.42Å; V242-E262 HydrophobicContact CG2-CG 4.2Å; V242-E262 PolarHBondContact N-O 3.35Å; Q243-E262 VanDerWaalsContact NE2-CB 3.32Å; Q243-E262 PolarHBondContact OE1-O 2.66Å; E262-K264 VanDerWaalsContact CD-NZ 3.32Å; E262-K264 WeakPolarHBondContact OE1-CE 3.5Å; E262-K264 IonicContact OE1-NZ 3.48Å; E262-K264 PolarHBondContact OE1-NZ 3.48Å; E262-K264 IonicContact OE2-NZ 3.62Å
263V88.9Confident82.8Confident37 Ų3780 Ų8022%0.22443%0.428CS..EExtended strand (participates in β ladder)trans-113.7136.8176.2-72.30000111.4M239 Y240 C241 V248 L253 H261M239-V263 HydrophobicContact CB-CB 4.32Å; M239-V263 HydrophobicContact CE-CB 3.97Å; M239-V263 HydrophobicContact CE-CG2 3.83Å; Y240-V263 CarbonylContact O-C 3.52Å; Y240-V263 WeakPolarHBondContact O-CA 3.35Å; C241-V263 HydrophobicContact CB-CG1 4.26Å; V248-V263 HydrophobicContact CG2-CG1 4.18Å; L253-V263 HydrophobicContact CD1-CG1 4.01Å; L253-V263 HydrophobicContact CD1-CG2 4.08Å; L253-V263 HydrophobicContact CD2-CG2 4.02Å; H261-V263 PolarHBondContact O-N 2.79Å
264K89.8Confident83.1Confident83 Ų8383 Ų8336%0.36144%0.439SS..EExtended strand (participates in β ladder)trans-119.7150.2176.6-73.8173.4177.7141.10110.2Y240 V242 E262 L266 M269Y240-K264 PolarHBondContact N-O 2.62Å; Y240-K264 PolarHBondContact O-N 3.09Å; V242-K264 HydrophobicContact CG2-CD 3.82Å; V242-K264 HydrophobicContact CG2-CG 4.13Å; E262-K264 VanDerWaalsContact CD-NZ 3.32Å; E262-K264 WeakPolarHBondContact OE1-CE 3.5Å; E262-K264 IonicContact OE1-NZ 3.48Å; E262-K264 PolarHBondContact OE1-NZ 3.48Å; E262-K264 IonicContact OE2-NZ 3.62Å; K264-L266 PolarHBondContact O-N 2.84Å; K264-M269 HydrophobicContact CB-CG 3.7Å; K264-M269 HydrophobicContact CB-SD 3.97Å; K264-M269 HydrophobicContact CD-SD 3.8Å; K264-M269 HydrophobicContact CG-SD 4.49Å
265A88.8Confident83.8Confident56 Ų5681.3 Ų81.346%0.46344%0.44SS..EExtended strand (participates in β ladder)trans-56.7125.1179.400000110.9G267 A268 M269A265-G267 PolarHBondContact O-N 2.6Å; A265-G267 VanDerWaalsContact O-N 3.17Å; A265-A268 HydrophobicContact CB-CB 4.43Å; A265-A268 WeakPolarHBondContact O-CB 3.41Å; A265-A268 PolarHBondContact O-N 3.48Å; A265-M269 PolarHBondContact O-N 3.05Å
266L86.9Confident84.9Confident49 Ų4978.7 Ų78.726%0.25743%0.427SS..Hα-helixtrans-58.1-37.3-171.3-177.562.4000112.2H237 S238 Y240 P247 K264 A268 M269 W270H237-L266 HydrophobicContact CB-CD2 4.09Å; H237-L266 WeakPolarHBondContact O-CD2 3.13Å; S238-L266 WeakPolarHBondContact O-CB 3.47Å; S238-L266 PolarHBondContact O-N 3.13Å; Y240-L266 HydrophobicContact CD2-CD1 4.35Å; P247-L266 HydrophobicContact CB-CD1 4.11Å; K264-L266 PolarHBondContact O-N 2.84Å; L266-A268 VanDerWaalsContact C-N 3.32Å; L266-A268 PolarHBondContact O-N 2.86Å; L266-M269 PolarHBondContact O-N 2.79Å; L266-W270 WeakPolarHBondContact O-CB 3.24Å; L266-W270 PolarHBondContact O-N 3.24Å
267G84.7Confident86.1Confident46 Ų4682.8 Ų82.847%0.47444%0.443SS..Hα-helixtrans-65.9-26.6176.500000114.9A265 K271A265-G267 PolarHBondContact O-N 2.6Å; A265-G267 VanDerWaalsContact O-N 3.17Å; G267-K271 PolarHBondContact O-N 3.5Å
268A85.8Confident87.3Confident60 Ų6077.4 Ų77.450%0.49643%0.428SS..Hα-helixtrans-78.7-48.8175.100000110.8A265 L266 W270 K271 L272A265-A268 HydrophobicContact CB-CB 4.43Å; A265-A268 WeakPolarHBondContact O-CB 3.41Å; A265-A268 PolarHBondContact O-N 3.48Å; L266-A268 VanDerWaalsContact C-N 3.32Å; L266-A268 PolarHBondContact O-N 2.86Å; A268-W270 VanDerWaalsContact C-N 3.26Å; A268-W270 PolarHBondContact O-N 3.47Å; A268-K271 PolarHBondContact O-N 3Å; A268-K271 VanDerWaalsContact O-N 3.1Å; A268-L272 PolarHBondContact O-N 2.83Å
269M89.8Confident87.9Confident21 Ų2182.9 Ų82.910%0.10345%0.454CS..Hα-helixtrans-60.8-35.9175.5-67.1-56.7-60.200112Y240 K264 A265 L266 K271 L272 H273Y240-M269 HydrophobicContact CD1-CB 4.24Å; Y240-M269 HydrophobicContact CD1-CE 3.98Å; Y240-M269 HydrophobicContact CD1-CG 3.83Å; Y240-M269 HydrophobicContact CE1-CE 3.9Å; Y240-M269 HydrophobicContact CG-CB 4.14Å; Y240-M269 HydrophobicContact CG-CG 4.08Å; K264-M269 HydrophobicContact CB-CG 3.7Å; K264-M269 HydrophobicContact CB-SD 3.97Å; K264-M269 HydrophobicContact CD-SD 3.8Å; K264-M269 HydrophobicContact CG-SD 4.49Å; A265-M269 PolarHBondContact O-N 3.05Å; L266-M269 PolarHBondContact O-N 2.79Å; M269-K271 PolarHBondContact O-N 2.98Å; M269-L272 HydrophobicContact CE-CD2 4.22Å; M269-L272 PolarHBondContact O-N 2.71Å; M269-L272 HydrophobicContact SD-CD2 4.26Å; M269-H273 WeakPolarHBondContact CE-NE2 3.43Å; M269-H273 WeakPolarHBondContact O-CB 3.26Å; M269-H273 PolarHBondContact O-N 2.94Å
270W86.8Confident88.6Confident143 Ų14381.9 Ų81.954%0.54245%0.451SS..Hα-helixtrans-60.9-38.9173.3173.686.5000113.5L266 A268 K274L266-W270 WeakPolarHBondContact O-CB 3.24Å; L266-W270 PolarHBondContact O-N 3.24Å; A268-W270 VanDerWaalsContact C-N 3.26Å; A268-W270 PolarHBondContact O-N 3.47Å; W270-K274 HydrophobicContact CD2-CD 4.23Å; W270-K274 HydrophobicContact CZ2-CD 4.21Å; W270-K274 WeakPolarHBondContact O-CB 3.46Å; W270-K274 VanDerWaalsContact O-CG 3.27Å; W270-K274 WeakPolarHBondContact O-CG 3.42Å; W270-K274 PolarHBondContact O-N 2.94Å
271K88.3Confident89.2Confident148 Ų14881.5 Ų81.564%0.64344%0.44SS*.Hα-helixtrans-68.3-45.6173-71.3-176.9-177.7179.70111.1G267 A268 M269 K274 S275G267-K271 PolarHBondContact O-N 3.5Å; A268-K271 PolarHBondContact O-N 3Å; A268-K271 VanDerWaalsContact O-N 3.1Å; M269-K271 PolarHBondContact O-N 2.98Å; K271-K274 PolarHBondContact O-N 3.23Å; K271-S275 PolarHBondContact O-N 3.21Å
272L89.8Confident89.4Confident84 Ų8483.7 Ų83.744%0.4445%0.454SS..Hα-helixtrans-61.2-53.9-178.8179.960.6000112A268 M269 K274 S275 Q276A268-L272 PolarHBondContact O-N 2.83Å; M269-L272 HydrophobicContact CE-CD2 4.22Å; M269-L272 PolarHBondContact O-N 2.71Å; M269-L272 HydrophobicContact SD-CD2 4.26Å; L272-K274 VanDerWaalsContact C-N 3.28Å; L272-K274 PolarHBondContact O-N 3.46Å; L272-S275 WeakPolarHBondContact O-CB 3.26Å; L272-S275 PolarHBondContact O-N 3.21Å; L272-S275 VanDerWaalsContact O-N 3.09Å; L272-Q276 HydrophobicContact CD1-CG 4.37Å; L272-Q276 WeakPolarHBondContact O-CG 3.49Å; L272-Q276 PolarHBondContact O-N 3.13Å
273H88.6Confident89.5Confident78 Ų7881 Ų8136%0.36145%0.451SS..Hα-helixtrans-63-33.5179.7-75.2-163.2000112.5Y240 M269 Q276 L277Y240-H273 AromaticContact CZ-CE1 3.72Å; Y240-H273 PolarHBondContact OH-CE1 2.66Å; M269-H273 WeakPolarHBondContact CE-NE2 3.43Å; M269-H273 WeakPolarHBondContact O-CB 3.26Å; M269-H273 PolarHBondContact O-N 2.94Å; H273-Q276 PolarHBondContact CD2-OE1 2.78Å; H273-L277 VanDerWaalsContact O-CB 3.26Å; H273-L277 WeakPolarHBondContact O-CB 3.39Å; H273-L277 PolarHBondContact O-N 2.91Å
274K87.6Confident89.7Confident107 Ų10784.7 Ų84.747%0.46547%0.468SS..Hα-helixtrans-63.8-45.5171.4-85.2-178.2162.2-165.50112.3W270 K271 L272 L277 S278W270-K274 HydrophobicContact CD2-CD 4.23Å; W270-K274 HydrophobicContact CZ2-CD 4.21Å; W270-K274 WeakPolarHBondContact O-CB 3.46Å; W270-K274 VanDerWaalsContact O-CG 3.27Å; W270-K274 WeakPolarHBondContact O-CG 3.42Å; W270-K274 PolarHBondContact O-N 2.94Å; K271-K274 PolarHBondContact O-N 3.23Å; L272-K274 VanDerWaalsContact C-N 3.28Å; L272-K274 PolarHBondContact O-N 3.46Å; K274-L277 PolarHBondContact O-N 2.92Å; K274-S278 PolarHBondContact O-N 3.35Å; K274-S278 PolarHBondContact O-OG 3.33Å
275S91.3Very high89.8Confident78 Ų7884.4 Ų84.455%0.54548%0.477SS..Hα-helixtrans-60.7-46.8177.6-162.20000111.1K271 L272 S278 Q279K271-S275 PolarHBondContact O-N 3.21Å; L272-S275 WeakPolarHBondContact O-CB 3.26Å; L272-S275 PolarHBondContact O-N 3.21Å; L272-S275 VanDerWaalsContact O-N 3.09Å; S275-S278 PolarHBondContact O-N 2.95Å; S275-Q279 WeakPolarHBondContact O-CB 3.17Å; S275-Q279 PolarHBondContact O-N 3.11Å
276Q92.1Very high90Very high94 Ų9486.1 Ų86.144%0.43948%0.478SS..Hα-helixtrans-62.1-43.2177.2-70.4169.8-35.300112.4L272 H273 Q279 A280L272-Q276 HydrophobicContact CD1-CG 4.37Å; L272-Q276 WeakPolarHBondContact O-CG 3.49Å; L272-Q276 PolarHBondContact O-N 3.13Å; H273-Q276 PolarHBondContact CD2-OE1 2.78Å; Q276-Q279 PolarHBondContact O-N 2.79Å; Q276-A280 WeakPolarHBondContact O-CB 3.19Å; Q276-A280 PolarHBondContact O-N 3.43Å
277L90.2Very high90.2Very high109 Ų10992.4 Ų92.457%0.57150%0.499SS*.Hα-helixtrans-65-44.1177-178.760.8000111.7H273 K274 Q279 A280 L281H273-L277 VanDerWaalsContact O-CB 3.26Å; H273-L277 WeakPolarHBondContact O-CB 3.39Å; H273-L277 PolarHBondContact O-N 2.91Å; K274-L277 PolarHBondContact O-N 2.92Å; L277-Q279 VanDerWaalsContact C-N 3.34Å; L277-Q279 PolarHBondContact O-N 2.61Å; L277-A280 PolarHBondContact O-N 3.17Å; L277-L281 HydrophobicContact CD1-CD1 4.29Å; L277-L281 HydrophobicContact CD1-CG 4.32Å; L277-L281 HydrophobicContact CG-CD1 4.03Å; L277-L281 WeakPolarHBondContact O-CB 3.48Å; L277-L281 VanDerWaalsContact O-CG 3.26Å; L277-L281 WeakPolarHBondContact O-CG 3.43Å; L277-L281 PolarHBondContact O-N 2.82Å
278S92.1Very high90.5Very high68 Ų6892.3 Ų92.348%0.47649%0.494SS..Hα-helixtrans-61.9-40.8174.7-66.90000112.2K274 S275 L281 N282K274-S278 PolarHBondContact O-N 3.35Å; K274-S278 PolarHBondContact O-OG 3.33Å; S275-S278 PolarHBondContact O-N 2.95Å; S278-L281 PolarHBondContact O-N 3.26Å; S278-N282 VanDerWaalsContact O-CG 3.28Å; S278-N282 PolarHBondContact O-N 2.9Å; S278-N282 PolarHBondContact O-OD1 3.28Å
279Q92.4Very high90.9Very high142 Ų14295 Ų9566%0.66449%0.494SS*.Hα-helixtrans-64.6-42.2176.8-172.11788.900111.9S275 Q276 L277 N282 G283S275-Q279 WeakPolarHBondContact O-CB 3.17Å; S275-Q279 PolarHBondContact O-N 3.11Å; Q276-Q279 PolarHBondContact O-N 2.79Å; L277-Q279 VanDerWaalsContact C-N 3.34Å; L277-Q279 PolarHBondContact O-N 2.61Å; Q279-N282 PolarHBondContact O-N 3.42Å; Q279-G283 PolarHBondContact O-N 3.06Å; Q279-G283 VanDerWaalsContact O-N 3.16Å
280A91.5Very high91.1Very high65 Ų6599.7 Ų99.754%0.53752%0.516SS..Hα-helixtrans-66.2-38.3175.700000112.5Q276 L277 G283 L284Q276-A280 WeakPolarHBondContact O-CB 3.19Å; Q276-A280 PolarHBondContact O-N 3.43Å; L277-A280 PolarHBondContact O-N 3.17Å; A280-G283 PolarHBondContact O-N 3.47Å; A280-L284 WeakPolarHBondContact O-CB 3.15Å; A280-L284 PolarHBondContact O-N 3.1Å
281L92Very high91.3Very high95 Ų9595.3 Ų95.350%0.49751%0.51SS..Hα-helixtrans-66-38.5175.5-74.6169.1000112.4L277 S278 L284 S285L277-L281 HydrophobicContact CD1-CD1 4.29Å; L277-L281 HydrophobicContact CD1-CG 4.32Å; L277-L281 HydrophobicContact CG-CD1 4.03Å; L277-L281 WeakPolarHBondContact O-CB 3.48Å; L277-L281 VanDerWaalsContact O-CG 3.26Å; L277-L281 WeakPolarHBondContact O-CG 3.43Å; L277-L281 PolarHBondContact O-N 2.82Å; S278-L281 PolarHBondContact O-N 3.26Å; L281-L284 PolarHBondContact O-N 3.46Å; L281-S285 WeakPolarHBondContact O-CB 3.24Å; L281-S285 PolarHBondContact O-N 3.24Å
282N91.7Very high91.4Very high105 Ų10595.1 Ų95.156%0.56151%0.509SS*.Hα-helixtrans-61-52.9173.5-69.1-2.9000110.6S278 Q279 L284 S285 D286S278-N282 VanDerWaalsContact O-CG 3.28Å; S278-N282 PolarHBondContact O-N 2.9Å; S278-N282 PolarHBondContact O-OD1 3.28Å; Q279-N282 PolarHBondContact O-N 3.42Å; N282-L284 PolarHBondContact O-N 3.33Å; N282-S285 WeakPolarHBondContact O-CA 3.45Å; N282-S285 VanDerWaalsContact O-CB 3.3Å; N282-S285 WeakPolarHBondContact O-CB 3.32Å; N282-S285 PolarHBondContact O-N 3.48Å; N282-D286 PolarHBondContact O-N 2.85Å
283G91.3Very high91.6Very high34 Ų3495.6 Ų95.635%0.35151%0.509SS..Hα-helixtrans-62.7-26.9178.600000114.4Q279 A280 R287Q279-G283 PolarHBondContact O-N 3.06Å; Q279-G283 VanDerWaalsContact O-N 3.16Å; A280-G283 PolarHBondContact O-N 3.47Å; G283-R287 WeakPolarHBondContact O-CG 3.49Å; G283-R287 PolarHBondContact O-N 2.95Å
284L92.3Very high91.8Very high113 Ų11397.4 Ų97.459%0.59252%0.516SS*.Hα-helixtrans-72.5-39.2169.9-178.761.4000111.9A280 L281 N282 A288A280-L284 WeakPolarHBondContact O-CB 3.15Å; A280-L284 PolarHBondContact O-N 3.1Å; L281-L284 PolarHBondContact O-N 3.46Å; N282-L284 PolarHBondContact O-N 3.33Å; L284-A288 VanDerWaalsContact O-CB 3.29Å; L284-A288 WeakPolarHBondContact O-CB 3.42Å; L284-A288 PolarHBondContact O-N 3.13Å
285S91.9Very high92.1Very high77 Ų7796.6 Ų96.654%0.53852%0.516SS..Hα-helixtrans-64.1-40.4175.2-174.30000112L281 N282 A288 K289L281-S285 WeakPolarHBondContact O-CB 3.24Å; L281-S285 PolarHBondContact O-N 3.24Å; N282-S285 WeakPolarHBondContact O-CA 3.45Å; N282-S285 VanDerWaalsContact O-CB 3.3Å; N282-S285 WeakPolarHBondContact O-CB 3.32Å; N282-S285 PolarHBondContact O-N 3.48Å; S285-A288 PolarHBondContact O-N 3.04Å; S285-K289 PolarHBondContact O-N 3.47Å
286D92.9Very high92.2Very high92 Ų9296.4 Ų96.449%0.49251%0.512SS..Hα-helixtrans-64.5-48.3177.6-62.9-37.1000110.6N282 A288 K289 E290N282-D286 PolarHBondContact O-N 2.85Å; D286-A288 VanDerWaalsContact C-N 3.29Å; D286-A288 PolarHBondContact O-N 3Å; D286-K289 WeakPolarHBondContact O-CA 2.97Å; D286-K289 WeakPolarHBondContact O-CB 3.28Å; D286-K289 PolarHBondContact O-N 3.02Å; D286-E290 WeakPolarHBondContact O-CG 3.38Å; D286-E290 PolarHBondContact O-N 2.94Å
287R92Very high92.2Very high182 Ų18297.7 Ų97.769%0.68752%0.518SS*.Hα-helixtrans-60.3-35.3172.4-73.4179.1176.5-162-1.4113.5G283 K289 E290 A291G283-R287 WeakPolarHBondContact O-CG 3.49Å; G283-R287 PolarHBondContact O-N 2.95Å; R287-K289 VanDerWaalsContact C-N 3.27Å; R287-K289 PolarHBondContact O-N 3.22Å; R287-E290 PolarHBondContact O-N 2.93Å; R287-A291 WeakPolarHBondContact O-CB 3.36Å; R287-A291 PolarHBondContact O-N 3.22Å
288A90.6Very high92.2Very high44 Ų4495.6 Ų95.636%0.36451%0.507SS..Hα-helixtrans-70.9-23.1175.400000112.8L284 S285 D286 K292L284-A288 VanDerWaalsContact O-CB 3.29Å; L284-A288 WeakPolarHBondContact O-CB 3.42Å; L284-A288 PolarHBondContact O-N 3.13Å; S285-A288 PolarHBondContact O-N 3.04Å; D286-A288 VanDerWaalsContact C-N 3.29Å; D286-A288 PolarHBondContact O-N 3Å; A288-K292 WeakPolarHBondContact O-CD 3.48Å; A288-K292 VanDerWaalsContact O-CG 3.26Å; A288-K292 WeakPolarHBondContact O-CG 3.27Å; A288-K292 PolarHBondContact O-N 3.25Å
289K93.4Very high92.2Very high115 Ų115100.7 Ų100.750%0.552%0.515SS..Hα-helixtrans-77.7-47.7170.2178.2-179.8172.3-64.30110.8S285 D286 R287 A291 K292 E293S285-K289 PolarHBondContact O-N 3.47Å; D286-K289 WeakPolarHBondContact O-CA 2.97Å; D286-K289 WeakPolarHBondContact O-CB 3.28Å; D286-K289 PolarHBondContact O-N 3.02Å; R287-K289 VanDerWaalsContact C-N 3.27Å; R287-K289 PolarHBondContact O-N 3.22Å; K289-A291 VanDerWaalsContact C-N 3.32Å; K289-A291 PolarHBondContact O-N 2.95Å; K289-K292 WeakPolarHBondContact O-CB 3.26Å; K289-K292 PolarHBondContact O-N 3.46Å; K289-E293 VanDerWaalsContact CE-OE1 3.23Å; K289-E293 WeakPolarHBondContact CE-OE1 3.37Å; K289-E293 WeakPolarHBondContact CG-OE1 3.46Å; K289-E293 IonicContact NZ-OE1 2.81Å; K289-E293 PolarHBondContact NZ-OE1 2.87Å; K289-E293 IonicContact NZ-OE2 2.67Å; K289-E293 PolarHBondContact NZ-OE2 3.07Å; K289-E293 PolarHBondContact O-N 2.96Å
290E93.6Very high92.2Very high120 Ų12098 Ų9856%0.56151%0.505SS*.Hα-helixtrans-53.3-47.5173.4-67.9167.9173.200111.5D286 R287 K292 E293 F294D286-E290 WeakPolarHBondContact O-CG 3.38Å; D286-E290 PolarHBondContact O-N 2.94Å; R287-E290 PolarHBondContact O-N 2.93Å; E290-K292 VanDerWaalsContact C-N 3.32Å; E290-K292 PolarHBondContact O-N 3.35Å; E290-E293 PolarHBondContact O-N 3.18Å; E290-F294 WeakPolarHBondContact O-CB 3.32Å; E290-F294 PolarHBondContact O-N 2.86Å
291A90.9Very high91.9Very high51 Ų5199.5 Ų99.542%0.42150%0.503SS..Hα-helixtrans-63.1-34.6177.600000113.3R287 K289 L295R287-A291 WeakPolarHBondContact O-CB 3.36Å; R287-A291 PolarHBondContact O-N 3.22Å; K289-A291 VanDerWaalsContact C-N 3.32Å; K289-A291 PolarHBondContact O-N 2.95Å; A291-L295 WeakPolarHBondContact O-CB 3.49Å; A291-L295 VanDerWaalsContact O-CG 3.27Å; A291-L295 WeakPolarHBondContact O-CG 3.3Å; A291-L295 PolarHBondContact O-N 2.81Å
292K92.3Very high91.9Very high145 Ų14598.7 Ų98.763%0.6350%0.501SS*.Hα-helixtrans-70.7-39.2174.8-76.9171.4-177.9179.50111.8A288 K289 E290 L295 V296A288-K292 WeakPolarHBondContact O-CD 3.48Å; A288-K292 VanDerWaalsContact O-CG 3.26Å; A288-K292 WeakPolarHBondContact O-CG 3.27Å; A288-K292 PolarHBondContact O-N 3.25Å; K289-K292 WeakPolarHBondContact O-CB 3.26Å; K289-K292 PolarHBondContact O-N 3.46Å; E290-K292 VanDerWaalsContact C-N 3.32Å; E290-K292 PolarHBondContact O-N 3.35Å; K292-L295 PolarHBondContact O-N 2.97Å; K292-V296 WeakPolarHBondContact O-CG2 3.39Å; K292-V296 PolarHBondContact O-N 2.86Å; K292-V296 VanDerWaalsContact O-N 3.14Å
293E94.1Very high91.8Very high93 Ų9398.4 Ų98.444%0.43550%0.497SS..Hα-helixtrans-66.2-42.1175.9-73.9166.5-171.900111.1K289 E290 V296 Q297K289-E293 VanDerWaalsContact CE-OE1 3.23Å; K289-E293 WeakPolarHBondContact CE-OE1 3.37Å; K289-E293 WeakPolarHBondContact CG-OE1 3.46Å; K289-E293 IonicContact NZ-OE1 2.81Å; K289-E293 PolarHBondContact NZ-OE1 2.87Å; K289-E293 IonicContact NZ-OE2 2.67Å; K289-E293 PolarHBondContact NZ-OE2 3.07Å; K289-E293 PolarHBondContact O-N 2.96Å; E290-E293 PolarHBondContact O-N 3.18Å; E293-V296 PolarHBondContact O-N 3.2Å; E293-V296 VanDerWaalsContact O-N 3.16Å; E293-Q297 WeakPolarHBondContact O-CG 3.32Å; E293-Q297 PolarHBondContact O-N 2.88Å
294F92.6Very high91.5Very high117 Ų117102.2 Ų102.251%0.51351%0.506SS..Hα-helixtrans-62.9-40.1172.7-175.4-119.1000112.9E290 V296 Q297 L298E290-F294 WeakPolarHBondContact O-CB 3.32Å; E290-F294 PolarHBondContact O-N 2.86Å; F294-V296 VanDerWaalsContact C-N 3.26Å; F294-V296 PolarHBondContact O-N 2.95Å; F294-Q297 WeakPolarHBondContact O-CB 3.34Å; F294-Q297 PolarHBondContact O-N 3.08Å; F294-L298 HydrophobicContact CD1-CD1 4.02Å; F294-L298 HydrophobicContact CD1-CG 4.47Å; F294-L298 HydrophobicContact CE1-CD1 3.63Å; F294-L298 HydrophobicContact CE1-CG 4.15Å; F294-L298 HydrophobicContact CE2-CD2 4.3Å; F294-L298 HydrophobicContact CE2-CG 4.28Å; F294-L298 HydrophobicContact CZ-CD1 3.97Å; F294-L298 HydrophobicContact CZ-CD2 4.01Å; F294-L298 HydrophobicContact CZ-CG 4.04Å; F294-L298 WeakPolarHBondContact O-CG 3.43Å; F294-L298 PolarHBondContact O-N 3.35Å
295L92.3Very high91.2Very high89 Ų89101.8 Ų101.847%0.46650%0.503SS..Hα-helixtrans-63.9-28.2173.7-77.4167.5000113.3A291 K292 R299A291-L295 WeakPolarHBondContact O-CB 3.49Å; A291-L295 VanDerWaalsContact O-CG 3.27Å; A291-L295 WeakPolarHBondContact O-CG 3.3Å; A291-L295 PolarHBondContact O-N 2.81Å; K292-L295 PolarHBondContact O-N 2.97Å; L295-R299 WeakPolarHBondContact O-CD 3.29Å; L295-R299 VanDerWaalsContact O-CG 3.27Å; L295-R299 WeakPolarHBondContact O-CG 3.21Å; L295-R299 PolarHBondContact O-N 3.1Å
296V94.8Very high91Very high74 Ų74104 Ų10445%0.44851%0.505SS..Hα-helixtrans-74.1-43.4170.9173.30000110.7K292 E293 F294 L298 R299 N300K292-V296 WeakPolarHBondContact O-CG2 3.39Å; K292-V296 PolarHBondContact O-N 2.86Å; K292-V296 VanDerWaalsContact O-N 3.14Å; E293-V296 PolarHBondContact O-N 3.2Å; E293-V296 VanDerWaalsContact O-N 3.16Å; F294-V296 VanDerWaalsContact C-N 3.26Å; F294-V296 PolarHBondContact O-N 2.95Å; V296-L298 VanDerWaalsContact C-N 3.34Å; V296-L298 PolarHBondContact O-N 3.17Å; V296-R299 PolarHBondContact O-N 2.91Å; V296-N300 VanDerWaalsContact O-CG 3.31Å; V296-N300 PolarHBondContact O-N 2.95Å; V296-N300 PolarHBondContact O-OD1 2.82Å
297Q91.8Very high90.7Very high122 Ų122104.7 Ų104.757%0.5751%0.505SS*.Hα-helixtrans-57.4-45.4175.2-69.1170.9-1.300112E293 F294 R299 N300 M301E293-Q297 WeakPolarHBondContact O-CG 3.32Å; E293-Q297 PolarHBondContact O-N 2.88Å; F294-Q297 WeakPolarHBondContact O-CB 3.34Å; F294-Q297 PolarHBondContact O-N 3.08Å; Q297-R299 VanDerWaalsContact C-N 3.35Å; Q297-R299 PolarHBondContact O-N 2.9Å; Q297-N300 PolarHBondContact O-N 2.91Å; Q297-M301 WeakPolarHBondContact O-CB 3.43Å; Q297-M301 PolarHBondContact O-N 2.76Å
298L89.9Confident90.3Very high64 Ų64100.8 Ų100.834%0.33550%0.497SS..Hα-helixtrans-61.6-39.5176.5-71.5177.4000112.7F294 V296 M301 V302F294-L298 HydrophobicContact CD1-CD1 4.02Å; F294-L298 HydrophobicContact CD1-CG 4.47Å; F294-L298 HydrophobicContact CE1-CD1 3.63Å; F294-L298 HydrophobicContact CE1-CG 4.15Å; F294-L298 HydrophobicContact CE2-CD2 4.3Å; F294-L298 HydrophobicContact CE2-CG 4.28Å; F294-L298 HydrophobicContact CZ-CD1 3.97Å; F294-L298 HydrophobicContact CZ-CD2 4.01Å; F294-L298 HydrophobicContact CZ-CG 4.04Å; F294-L298 WeakPolarHBondContact O-CG 3.43Å; F294-L298 PolarHBondContact O-N 3.35Å; V296-L298 VanDerWaalsContact C-N 3.34Å; V296-L298 PolarHBondContact O-N 3.17Å; L298-M301 HydrophobicContact CD2-CE 3.99Å; L298-M301 PolarHBondContact O-N 3.47Å; L298-V302 WeakPolarHBondContact O-CG2 3.42Å; L298-V302 PolarHBondContact O-N 3.03Å
299R92.4Very high89.8Confident175 Ų175101.9 Ų101.966%0.6650%0.503SS*.Hα-helixtrans-65.6-43.6176.2-74.3168180174.5-0.3111.9L295 V296 Q297 M301 V302 Q303L295-R299 WeakPolarHBondContact O-CD 3.29Å; L295-R299 VanDerWaalsContact O-CG 3.27Å; L295-R299 WeakPolarHBondContact O-CG 3.21Å; L295-R299 PolarHBondContact O-N 3.1Å; V296-R299 PolarHBondContact O-N 2.91Å; Q297-R299 VanDerWaalsContact C-N 3.35Å; Q297-R299 PolarHBondContact O-N 2.9Å; R299-M301 VanDerWaalsContact C-N 3.31Å; R299-M301 PolarHBondContact O-N 2.9Å; R299-V302 PolarHBondContact O-N 3.47Å; R299-Q303 PolarHBondContact O-N 3.37Å
300N91.5Very high89.7Confident85 Ų85101 Ų10146%0.45551%0.507SS..Hα-helixtrans-63.1-40.1176.3-64.94.8000111.1V296 Q297 Q303 Q304V296-N300 VanDerWaalsContact O-CG 3.31Å; V296-N300 PolarHBondContact O-N 2.95Å; V296-N300 PolarHBondContact O-OD1 2.82Å; Q297-N300 PolarHBondContact O-N 2.91Å; N300-Q303 PolarHBondContact O-N 3.39Å; N300-Q304 WeakPolarHBondContact O-CG 3.19Å; N300-Q304 PolarHBondContact O-N 3.09Å
301M86.5Confident89.3Confident98 Ų98102.2 Ų102.248%0.48351%0.512SS..Hα-helixtrans-65.3-38.7176.6-169.8175.972.700112.1Q297 L298 R299 Q304 I305Q297-M301 WeakPolarHBondContact O-CB 3.43Å; Q297-M301 PolarHBondContact O-N 2.76Å; L298-M301 HydrophobicContact CD2-CE 3.99Å; L298-M301 PolarHBondContact O-N 3.47Å; R299-M301 VanDerWaalsContact C-N 3.31Å; R299-M301 PolarHBondContact O-N 2.9Å; M301-Q304 PolarHBondContact O-N 3.03Å; M301-I305 HydrophobicContact CG-CD1 4.18Å; M301-I305 WeakPolarHBondContact O-CD1 3.43Å; M301-I305 VanDerWaalsContact O-CG1 3.25Å; M301-I305 WeakPolarHBondContact O-CG1 3.49Å; M301-I305 PolarHBondContact O-N 3.35Å
302V91.6Very high88.9Confident77 Ų77105.5 Ų105.547%0.46752%0.517SS..Hα-helixtrans-62.6-42.8172.2168.80000111.3L298 R299 I305 Q306L298-V302 WeakPolarHBondContact O-CG2 3.42Å; L298-V302 PolarHBondContact O-N 3.03Å; R299-V302 PolarHBondContact O-N 3.47Å; V302-I305 PolarHBondContact O-N 2.93Å; V302-Q306 WeakPolarHBondContact O-CG 3.41Å; V302-Q306 PolarHBondContact O-N 3.24Å
303Q90.3Very high88.7Confident100 Ų100104.3 Ų104.347%0.46751%0.514SS..Hα-helixtrans-62.1-45.4175.4-179.5179.1-1700111.6R299 N300 I305 Q306 E307R299-Q303 PolarHBondContact O-N 3.37Å; N300-Q303 PolarHBondContact O-N 3.39Å; Q303-I305 VanDerWaalsContact C-N 3.33Å; Q303-I305 PolarHBondContact O-N 2.94Å; Q303-Q306 WeakPolarHBondContact O-CB 3.3Å; Q303-Q306 PolarHBondContact O-N 3.23Å; Q303-Q306 VanDerWaalsContact O-N 3.12Å; Q303-E307 HydrophobicContact CG-CG 4.42Å; Q303-E307 WeakPolarHBondContact CG-OE1 3.35Å; Q303-E307 PolarHBondContact NE2-OE1 3.39Å; Q303-E307 WeakPolarHBondContact O-CG 3.47Å; Q303-E307 PolarHBondContact O-N 2.94Å
304Q84.9Confident88.3Confident114 Ų114102.8 Ų102.853%0.53352%0.517SS..Hα-helixtrans-62.6-37.7176.9-72.9-178-49.900112.6N300 M301 Q306 E307 N308N300-Q304 WeakPolarHBondContact O-CG 3.19Å; N300-Q304 PolarHBondContact O-N 3.09Å; M301-Q304 PolarHBondContact O-N 3.03Å; Q304-Q306 VanDerWaalsContact C-N 3.33Å; Q304-E307 PolarHBondContact O-N 3.17Å; Q304-N308 VanDerWaalsContact O-CB 3.24Å; Q304-N308 WeakPolarHBondContact O-CB 3.26Å; Q304-N308 PolarHBondContact O-N 3.01Å; Q304-N308 PolarHBondContact O-ND2 3.31Å; Q304-N308 PolarHBondContact O-OD1 2.95Å
305I84.3Confident88Confident104 Ų104100.4 Ų100.453%0.53352%0.515SS..Hα-helixtrans-63.7-40173.8-70.7163.6000110.7M301 V302 Q303 S309M301-I305 HydrophobicContact CG-CD1 4.18Å; M301-I305 WeakPolarHBondContact O-CD1 3.43Å; M301-I305 VanDerWaalsContact O-CG1 3.25Å; M301-I305 WeakPolarHBondContact O-CG1 3.49Å; M301-I305 PolarHBondContact O-N 3.35Å; V302-I305 PolarHBondContact O-N 2.93Å; Q303-I305 VanDerWaalsContact C-N 3.33Å; Q303-I305 PolarHBondContact O-N 2.94Å; I305-S309 WeakPolarHBondContact O-CB 3.41Å; I305-S309 PolarHBondContact O-N 3.47Å
306Q88.1Confident87.8Confident124 Ų12499.1 Ų99.158%0.57951%0.508SS*.Hα-helixtrans-66-46.1176.5-71.5170.4-2200112.2V302 Q303 Q304 S309 V310V302-Q306 WeakPolarHBondContact O-CG 3.41Å; V302-Q306 PolarHBondContact O-N 3.24Å; Q303-Q306 WeakPolarHBondContact O-CB 3.3Å; Q303-Q306 PolarHBondContact O-N 3.23Å; Q303-Q306 VanDerWaalsContact O-N 3.12Å; Q304-Q306 VanDerWaalsContact C-N 3.33Å; Q306-S309 PolarHBondContact O-N 2.97Å; Q306-V310 WeakPolarHBondContact O-CG2 3.41Å; Q306-V310 PolarHBondContact O-N 2.9Å
307E86.3Confident87.7Confident106 Ų10699.1 Ų99.150%0.49551%0.508SS..Hα-helixtrans-62.7-49.8177.9-71.3168.6177.800111.3Q303 Q304 S309 V310 E311Q303-E307 HydrophobicContact CG-CG 4.42Å; Q303-E307 WeakPolarHBondContact CG-OE1 3.35Å; Q303-E307 PolarHBondContact NE2-OE1 3.39Å; Q303-E307 WeakPolarHBondContact O-CG 3.47Å; Q303-E307 PolarHBondContact O-N 2.94Å; Q304-E307 PolarHBondContact O-N 3.17Å; E307-S309 VanDerWaalsContact C-N 3.29Å; E307-S309 PolarHBondContact O-N 2.81Å; E307-V310 PolarHBondContact O-N 2.81Å; E307-E311 PolarHBondContact O-N 3.17Å; E307-E311 VanDerWaalsContact O-N 3.17Å
308N84.4Confident87.7Confident99 Ų9996.2 Ų96.253%0.52950%0.504SS..Hα-helixtrans-62.2-34.9177-66.3-5.9000112.5Q304 E311 F312Q304-N308 VanDerWaalsContact O-CB 3.24Å; Q304-N308 WeakPolarHBondContact O-CB 3.26Å; Q304-N308 PolarHBondContact O-N 3.01Å; Q304-N308 PolarHBondContact O-ND2 3.31Å; Q304-N308 PolarHBondContact O-OD1 2.95Å; N308-E311 PolarHBondContact O-N 2.92Å; N308-F312 WeakPolarHBondContact O-CB 3.3Å; N308-F312 PolarHBondContact O-N 2.95Å
309S80.9Confident87.6Confident68 Ų6898.6 Ų98.648%0.47651%0.514SS..Hα-helixtrans-65.8-39.4178.6-171.70000111.9I305 Q306 E307 F312 E313I305-S309 WeakPolarHBondContact O-CB 3.41Å; I305-S309 PolarHBondContact O-N 3.47Å; Q306-S309 PolarHBondContact O-N 2.97Å; E307-S309 VanDerWaalsContact C-N 3.29Å; E307-S309 PolarHBondContact O-N 2.81Å; S309-F312 PolarHBondContact O-N 3.17Å; S309-E313 WeakPolarHBondContact O-CB 3.34Å; S309-E313 PolarHBondContact O-N 3.41Å
310V89.9Confident87.6Confident97 Ų9793.1 Ų93.159%0.58850%0.502SS*.Hα-helixtrans-70.5-38.6178173.70000111.1Q306 E307 A314Q306-V310 WeakPolarHBondContact O-CG2 3.41Å; Q306-V310 PolarHBondContact O-N 2.9Å; E307-V310 PolarHBondContact O-N 2.81Å; V310-A314 WeakPolarHBondContact O-CB 3.42Å; V310-A314 PolarHBondContact O-N 2.94Å
311E85.3Confident87.7Confident144 Ų14493.4 Ų93.467%0.67350%0.503SS*.Hα-helixtrans-65.1-41.5173.7-174.5172.6-157.100111.8E307 N308 A314 C315E307-E311 PolarHBondContact O-N 3.17Å; E307-E311 VanDerWaalsContact O-N 3.17Å; N308-E311 PolarHBondContact O-N 2.92Å; E311-A314 PolarHBondContact O-N 2.89Å; E311-C315 VanDerWaalsContact O-CB 3.29Å; E311-C315 WeakPolarHBondContact O-CB 3.4Å; E311-C315 PolarHBondContact O-N 2.88Å
312F82.6Confident88Confident121 Ų12191.7 Ų91.753%0.53151%0.505SS..Hα-helixtrans-64.3-44.2175.8-177.7-98.9000112.4N308 S309 C315 L316 F431N308-F312 WeakPolarHBondContact O-CB 3.3Å; N308-F312 PolarHBondContact O-N 2.95Å; S309-F312 PolarHBondContact O-N 3.17Å; F312-C315 PolarHBondContact O-N 3.46Å; F312-L316 WeakPolarHBondContact O-CB 3.41Å; F312-L316 PolarHBondContact O-N 2.75Å; F312-F431 HydrophobicContact CE1-CE1 4.05Å; F312-F431 HydrophobicContact CZ-CD1 4.19Å; F312-F431 AromaticContact CZ-CE1 3.91Å; F312-F431 HydrophobicContact CZ-CE1 3.91Å
313E87.5Confident88.1Confident119 Ų11992.8 Ų92.856%0.55651%0.507SS*.Hα-helixtrans-60-48.1175.4-174.5-178.3169.100111.3S309 C315 L316 V317S309-E313 WeakPolarHBondContact O-CB 3.34Å; S309-E313 PolarHBondContact O-N 3.41Å; E313-C315 VanDerWaalsContact C-N 3.31Å; E313-C315 PolarHBondContact O-N 2.77Å; E313-L316 PolarHBondContact O-N 3.07Å; E313-V317 WeakPolarHBondContact O-CG2 3.47Å; E313-V317 PolarHBondContact O-N 3.23Å
314A87Confident88.3Confident61 Ų6192.3 Ų92.350%0.50451%0.507SS..Hα-helixtrans-60.8-38.9176.500000112.5V310 E311 A318V310-A314 WeakPolarHBondContact O-CB 3.42Å; V310-A314 PolarHBondContact O-N 2.94Å; E311-A314 PolarHBondContact O-N 2.89Å; A314-A318 WeakPolarHBondContact O-CB 3.21Å; A314-A318 PolarHBondContact O-N 2.9Å
315C86.3Confident88.8Confident68 Ų6890.3 Ų90.346%0.45950%0.5SS..Hα-helixtrans-67.8-37.8176.5-171.60000112.5E311 F312 E313 Q319E311-C315 VanDerWaalsContact O-CB 3.29Å; E311-C315 WeakPolarHBondContact O-CB 3.4Å; E311-C315 PolarHBondContact O-N 2.88Å; F312-C315 PolarHBondContact O-N 3.46Å; E313-C315 VanDerWaalsContact C-N 3.31Å; E313-C315 PolarHBondContact O-N 2.77Å; C315-Q319 WeakPolarHBondContact O-CG 3.36Å; C315-Q319 PolarHBondContact O-N 3.36Å; C315-Q319 PolarHBondContact O-NE2 3.38Å; C315-Q319 PolarHBondContact SG-NE2 2.87Å
316L88.4Confident89.2Confident62 Ų6288 Ų8833%0.32550%0.497SS..Hα-helixtrans-66.4-48.4174.5176.264.3000111.4F312 E313 A318 Q319 C320 F431F312-L316 WeakPolarHBondContact O-CB 3.41Å; F312-L316 PolarHBondContact O-N 2.75Å; E313-L316 PolarHBondContact O-N 3.07Å; L316-A318 VanDerWaalsContact C-N 3.34Å; L316-A318 PolarHBondContact O-N 3.17Å; L316-Q319 PolarHBondContact O-N 3.29Å; L316-Q319 VanDerWaalsContact O-N 3.14Å; L316-C320 PolarHBondContact O-N 2.96Å; L316-C320 PolarHBondContact O-SG 2.98Å; L316-F431 HydrophobicContact CD1-CE1 4.01Å; L316-F431 HydrophobicContact CD1-CZ 4.32Å; L316-F431 HydrophobicContact CD2-CE1 3.92Å; L316-F431 HydrophobicContact CD2-CZ 3.66Å
317V91.9Very high89.5Confident74 Ų7486.3 Ų86.345%0.44849%0.491SS..Hα-helixtrans-57.4-47.3177.5171.10000110.6E313 Q319 C320 D321E313-V317 WeakPolarHBondContact O-CG2 3.47Å; E313-V317 PolarHBondContact O-N 3.23Å; V317-Q319 VanDerWaalsContact C-N 3.28Å; V317-Q319 PolarHBondContact O-N 2.64Å; V317-C320 PolarHBondContact O-N 3.05Å; V317-C320 VanDerWaalsContact O-N 3.17Å; V317-D321 WeakPolarHBondContact O-CB 3.38Å; V317-D321 PolarHBondContact O-N 3.21Å
318A91Very high90Very high60 Ų6085 Ų8550%0.49649%0.488SS..Hα-helixtrans-61.3-32.9178.100000113.7A314 L316 A322A314-A318 WeakPolarHBondContact O-CB 3.21Å; A314-A318 PolarHBondContact O-N 2.9Å; L316-A318 VanDerWaalsContact C-N 3.34Å; L316-A318 PolarHBondContact O-N 3.17Å; A318-A322 WeakPolarHBondContact O-CB 3.48Å; A318-A322 PolarHBondContact O-N 3.47Å; A318-A322 VanDerWaalsContact O-N 3.14Å
319Q88.9Confident90.6Very high115 Ų11588.2 Ų88.254%0.53749%0.492SS..Hα-helixtrans-71.3-43.8173.9-75.2170.479.900111.9C315 L316 V317 A322 L323C315-Q319 WeakPolarHBondContact O-CG 3.36Å; C315-Q319 PolarHBondContact O-N 3.36Å; C315-Q319 PolarHBondContact O-NE2 3.38Å; C315-Q319 PolarHBondContact SG-NE2 2.87Å; L316-Q319 PolarHBondContact O-N 3.29Å; L316-Q319 VanDerWaalsContact O-N 3.14Å; V317-Q319 VanDerWaalsContact C-N 3.28Å; V317-Q319 PolarHBondContact O-N 2.64Å; Q319-A322 PolarHBondContact O-N 3.39Å; Q319-L323 WeakPolarHBondContact O-CG 3.37Å; Q319-L323 PolarHBondContact O-N 3.17Å
320C91.3Very high91.2Very high60 Ų6090.7 Ų90.741%0.40549%0.491SS..Hα-helixtrans-61.7-46.1175.1-700000111.7L316 V317 A322 L323 I324L316-C320 PolarHBondContact O-N 2.96Å; L316-C320 PolarHBondContact O-SG 2.98Å; V317-C320 PolarHBondContact O-N 3.05Å; V317-C320 VanDerWaalsContact O-N 3.17Å; C320-A322 VanDerWaalsContact C-N 3.33Å; C320-A322 PolarHBondContact O-N 3.29Å; C320-L323 WeakPolarHBondContact O-CB 3.22Å; C320-L323 PolarHBondContact O-N 3.15Å; C320-L323 VanDerWaalsContact O-N 3.14Å; C320-I324 WeakPolarHBondContact O-CG1 3.47Å; C320-I324 PolarHBondContact O-N 2.97Å
321D94.3Very high91.5Very high90 Ų9092 Ų9248%0.48149%0.489SS..Hα-helixtrans-60-41.3176.9-76.8-23.8000111.7V317 L323 I324 D325V317-D321 WeakPolarHBondContact O-CB 3.38Å; V317-D321 PolarHBondContact O-N 3.21Å; D321-L323 VanDerWaalsContact C-N 3.3Å; D321-L323 PolarHBondContact O-N 3.16Å; D321-I324 PolarHBondContact O-N 2.9Å; D321-D325 WeakPolarHBondContact O-CB 3.33Å; D321-D325 PolarHBondContact O-N 3.39Å
322A92.9Very high92Very high63 Ų6388.1 Ų88.152%0.52148%0.481SS..Hα-helixtrans-61.8-35.4176.200000113.1A318 Q319 C320 A326A318-A322 WeakPolarHBondContact O-CB 3.48Å; A318-A322 PolarHBondContact O-N 3.47Å; A318-A322 VanDerWaalsContact O-N 3.14Å; Q319-A322 PolarHBondContact O-N 3.39Å; C320-A322 VanDerWaalsContact C-N 3.33Å; C320-A322 PolarHBondContact O-N 3.29Å; A322-A326 WeakPolarHBondContact O-CB 3.26Å; A322-A326 PolarHBondContact O-N 2.94Å
323L93.8Very high92.7Very high99 Ų9987.1 Ų87.152%0.51848%0.479SS..Hα-helixtrans-70.6-42.7174.1-66.7172.7000111.8Q319 C320 D321 D325 A326 L327 L429Q319-L323 WeakPolarHBondContact O-CG 3.37Å; Q319-L323 PolarHBondContact O-N 3.17Å; C320-L323 WeakPolarHBondContact O-CB 3.22Å; C320-L323 PolarHBondContact O-N 3.15Å; C320-L323 VanDerWaalsContact O-N 3.14Å; D321-L323 VanDerWaalsContact C-N 3.3Å; D321-L323 PolarHBondContact O-N 3.16Å; L323-D325 VanDerWaalsContact C-N 3.3Å; L323-D325 PolarHBondContact O-N 3.38Å; L323-A326 PolarHBondContact O-N 3.43Å; L323-L327 WeakPolarHBondContact O-CB 3.46Å; L323-L327 PolarHBondContact O-N 3.29Å; L323-L429 HydrophobicContact CD1-CD1 4.14Å
324I94.6Very high93Very high90 Ų9083.7 Ų83.746%0.46246%0.464SS..Hα-helixtrans-60.2-42.2174.9-67.1169.1000110.4C320 D321 L327 N328C320-I324 WeakPolarHBondContact O-CG1 3.47Å; C320-I324 PolarHBondContact O-N 2.97Å; D321-I324 PolarHBondContact O-N 2.9Å; I324-L327 PolarHBondContact O-N 3Å; I324-N328 WeakPolarHBondContact O-CB 3.31Å; I324-N328 PolarHBondContact O-N 2.9Å; I324-N328 PolarHBondContact O-ND2 2.74Å
325D95.6Very high93.5Very high72 Ų7285.5 Ų85.539%0.38546%0.464SS..Hα-helixtrans-70-39.1-179.1-152.755.7000112D321 L323 L327 N328 R329D321-D325 WeakPolarHBondContact O-CB 3.33Å; D321-D325 PolarHBondContact O-N 3.39Å; L323-D325 VanDerWaalsContact C-N 3.3Å; L323-D325 PolarHBondContact O-N 3.38Å; D325-L327 VanDerWaalsContact C-N 3.35Å; D325-L327 PolarHBondContact O-N 2.71Å; D325-N328 PolarHBondContact O-N 2.88Å; D325-R329 WeakPolarHBondContact O-CB 3.45Å; D325-R329 WeakPolarHBondContact O-CD 3.29Å; D325-R329 WeakPolarHBondContact O-CG 3.28Å; D325-R329 PolarHBondContact O-N 3.35Å; D325-R329 IonicContact OD2-CZ 2.64Å; D325-R329 IonicContact OD2-NE 2.79Å; D325-R329 PolarHBondContact OD2-NE 3.4Å; D325-R329 IonicContact OD2-NH2 2.66Å; D325-R329 PolarHBondContact OD2-NH2 2.91Å
326A93.1Very high93.9Very high57 Ų5785.1 Ų85.147%0.47147%0.466SS..Hα-helixtrans-60.4-42.2170.200000112.3A322 L323 R329 R330A322-A326 WeakPolarHBondContact O-CB 3.26Å; A322-A326 PolarHBondContact O-N 2.94Å; L323-A326 PolarHBondContact O-N 3.43Å; A326-R329 PolarHBondContact O-N 2.92Å; A326-R330 PolarHBondContact O-N 2.9Å
327L93.9Very high94.2Very high87 Ų8789 Ų8946%0.45548%0.476SS..Hα-helixtrans-66.5-41.2177-176.557.2000112.1L323 I324 D325 R330 K331 L422L323-L327 WeakPolarHBondContact O-CB 3.46Å; L323-L327 PolarHBondContact O-N 3.29Å; I324-L327 PolarHBondContact O-N 3Å; D325-L327 VanDerWaalsContact C-N 3.35Å; D325-L327 PolarHBondContact O-N 2.71Å; L327-R330 PolarHBondContact O-N 2.77Å; L327-K331 WeakPolarHBondContact O-CB 3.26Å; L327-K331 PolarHBondContact O-N 3.01Å; L327-L422 HydrophobicContact CD1-CD2 3.86Å
328N95.9Very high94.4Very high79 Ų7988.3 Ų88.342%0.42247%0.472SS..Hα-helixtrans-64-42.2175-81.3-43.6000112.3I324 D325 R330 K331 A332I324-N328 WeakPolarHBondContact O-CB 3.31Å; I324-N328 PolarHBondContact O-N 2.9Å; I324-N328 PolarHBondContact O-ND2 2.74Å; D325-N328 PolarHBondContact O-N 2.88Å; N328-R330 VanDerWaalsContact C-N 3.3Å; N328-R330 PolarHBondContact O-N 2.98Å; N328-K331 WeakPolarHBondContact O-CB 3.44Å; N328-K331 PolarHBondContact O-N 2.89Å; N328-A332 PolarHBondContact O-N 3.39Å
329R96.6Very high94.6Very high166 Ų16689.8 Ų89.863%0.62647%0.472SS*.Hα-helixtrans-59.7-40.8172.2-67.8164.3-166.9-143.37.5111.2D325 A326 A332 Q333D325-R329 WeakPolarHBondContact O-CB 3.45Å; D325-R329 WeakPolarHBondContact O-CD 3.29Å; D325-R329 WeakPolarHBondContact O-CG 3.28Å; D325-R329 PolarHBondContact O-N 3.35Å; D325-R329 IonicContact OD2-CZ 2.64Å; D325-R329 IonicContact OD2-NE 2.79Å; D325-R329 PolarHBondContact OD2-NE 3.4Å; D325-R329 IonicContact OD2-NH2 2.66Å; D325-R329 PolarHBondContact OD2-NH2 2.91Å; A326-R329 PolarHBondContact O-N 2.92Å; R329-A332 PolarHBondContact O-N 2.9Å; R329-Q333 WeakPolarHBondContact O-CG 3.45Å; R329-Q333 PolarHBondContact O-N 2.98Å; R329-Q333 VanDerWaalsContact O-N 3.14Å
330R95.4Very high94.9Very high120 Ų12091.9 Ų91.945%0.45348%0.479SS..Hα-helixtrans-66.8-42.1175.5-177.453.7170.2-157.1-8.8112.8A326 L327 N328 A332 Q333 L334A326-R330 PolarHBondContact O-N 2.9Å; L327-R330 PolarHBondContact O-N 2.77Å; N328-R330 VanDerWaalsContact C-N 3.3Å; N328-R330 PolarHBondContact O-N 2.98Å; R330-A332 VanDerWaalsContact C-N 3.34Å; R330-A332 PolarHBondContact O-N 3.19Å; R330-Q333 WeakPolarHBondContact O-CB 3.34Å; R330-Q333 PolarHBondContact O-N 2.85Å; R330-L334 HydrophobicContact CG-CD1 4.33Å; R330-L334 WeakPolarHBondContact O-CG 3.3Å; R330-L334 PolarHBondContact O-N 3.01Å
331K95Very high95Very high126 Ų12691.9 Ų91.955%0.54847%0.473SS..Hα-helixtrans-56.4-46.5174176.8-178.6175.5-1780111.4L327 N328 Q333 L334 L335L327-K331 WeakPolarHBondContact O-CB 3.26Å; L327-K331 PolarHBondContact O-N 3.01Å; N328-K331 WeakPolarHBondContact O-CB 3.44Å; N328-K331 PolarHBondContact O-N 2.89Å; K331-Q333 PolarHBondContact O-N 3.28Å; K331-L334 PolarHBondContact O-N 2.9Å; K331-L335 HydrophobicContact CG-CD1 4.2Å; K331-L335 WeakPolarHBondContact O-CG 3.46Å; K331-L335 PolarHBondContact O-N 2.91Å
332A97Very high95.1Very high61 Ų6191.8 Ų91.850%0.50447%0.47SS..Hα-helixtrans-60.7-43.3175.900000112.6N328 R329 R330 L334 L335 A336N328-A332 PolarHBondContact O-N 3.39Å; R329-A332 PolarHBondContact O-N 2.9Å; R330-A332 VanDerWaalsContact C-N 3.34Å; R330-A332 PolarHBondContact O-N 3.19Å; A332-L334 VanDerWaalsContact C-N 3.3Å; A332-L334 PolarHBondContact O-N 2.89Å; A332-L335 PolarHBondContact O-N 3.22Å; A332-A336 WeakPolarHBondContact O-CB 3.3Å; A332-A336 PolarHBondContact O-N 3.2Å
333Q96.1Very high95.2Very high101 Ų10195 Ų9547%0.47247%0.474SS..Hα-helixtrans-61.9-33.2175.1-70.91755.400113.6R329 R330 K331 R337R329-Q333 WeakPolarHBondContact O-CG 3.45Å; R329-Q333 PolarHBondContact O-N 2.98Å; R329-Q333 VanDerWaalsContact O-N 3.14Å; R330-Q333 WeakPolarHBondContact O-CB 3.34Å; R330-Q333 PolarHBondContact O-N 2.85Å; K331-Q333 PolarHBondContact O-N 3.28Å; Q333-R337 WeakPolarHBondContact O-CG 3.49Å
334L95.1Very high95.3Very high47 Ų4795 Ų9525%0.24647%0.471CS..Hα-helixtrans-74.9-46178.2-69.3171000111R330 K331 A332 A336 R337 V338 L417R330-L334 HydrophobicContact CG-CD1 4.33Å; R330-L334 WeakPolarHBondContact O-CG 3.3Å; R330-L334 PolarHBondContact O-N 3.01Å; K331-L334 PolarHBondContact O-N 2.9Å; A332-L334 VanDerWaalsContact C-N 3.3Å; A332-L334 PolarHBondContact O-N 2.89Å; L334-A336 VanDerWaalsContact C-N 3.28Å; L334-A336 PolarHBondContact O-N 2.87Å; L334-R337 WeakPolarHBondContact O-CB 3.48Å; L334-R337 PolarHBondContact O-N 2.88Å; L334-V338 PolarHBondContact O-N 3.2Å; L334-L417 HydrophobicContact CD1-CD1 3.97Å; L334-L417 HydrophobicContact CD1-CD2 4.27Å
335L95.8Very high95.3Very high98 Ų9891.4 Ų91.451%0.51345%0.452SS..Hα-helixtrans-59.3-38.1175.6-68.8170.8000112.1K331 A332 R337 V338 N339K331-L335 HydrophobicContact CG-CD1 4.2Å; K331-L335 WeakPolarHBondContact O-CG 3.46Å; K331-L335 PolarHBondContact O-N 2.91Å; A332-L335 PolarHBondContact O-N 3.22Å; L335-R337 VanDerWaalsContact C-N 3.25Å; L335-R337 PolarHBondContact O-N 2.89Å; L335-V338 PolarHBondContact O-N 2.64Å; L335-N339 PolarHBondContact O-N 3.45Å
336A96.3Very high95.2Very high60 Ų6090.9 Ų90.950%0.49645%0.449SS..Hα-helixtrans-61.2-30.3174.600000113.5A332 L334 K340A332-A336 WeakPolarHBondContact O-CB 3.3Å; A332-A336 PolarHBondContact O-N 3.2Å; L334-A336 VanDerWaalsContact C-N 3.28Å; L334-A336 PolarHBondContact O-N 2.87Å; A336-K340 WeakPolarHBondContact O-CB 3.44Å; A336-K340 PolarHBondContact O-N 3.05Å
337R94.3Very high95.4Very high143 Ų14394.1 Ų94.154%0.5445%0.452SS..Hα-helixtrans-72.4-45.2174.3-62.6168.8-167.8-144.4-2.5111.3Q333 L334 L335 N339 K340 E341Q333-R337 WeakPolarHBondContact O-CG 3.49Å; L334-R337 WeakPolarHBondContact O-CB 3.48Å; L334-R337 PolarHBondContact O-N 2.88Å; L335-R337 VanDerWaalsContact C-N 3.25Å; L335-R337 PolarHBondContact O-N 2.89Å; R337-N339 VanDerWaalsContact C-N 3.35Å; R337-N339 PolarHBondContact O-N 2.85Å; R337-K340 PolarHBondContact O-N 3.13Å; R337-E341 PolarHBondContact O-N 3.23Å
338V95.4Very high95.4Very high60 Ų6091.7 Ų91.736%0.36444%0.441SS..Hα-helixtrans-60.4-45.5177.8179.30000110.5L334 L335 K340 E341 H342 F413 L415L334-V338 PolarHBondContact O-N 3.2Å; L335-V338 PolarHBondContact O-N 2.64Å; V338-K340 VanDerWaalsContact C-N 3.35Å; V338-K340 PolarHBondContact O-N 3.06Å; V338-E341 PolarHBondContact O-N 2.86Å; V338-H342 WeakPolarHBondContact O-CB 3.3Å; V338-H342 PolarHBondContact O-N 2.86Å; V338-F413 HydrophobicContact CG1-CD1 4.46Å; V338-F413 HydrophobicContact CG1-CE1 4.31Å; V338-L415 HydrophobicContact CG2-CD1 4.16Å
339N95.6Very high95.3Very high92 Ų9291 Ų9149%0.49244%0.44SS..Hα-helixtrans-61.2-41.5176.2-73.40.6000112.3L335 R337 H342 E343L335-N339 PolarHBondContact O-N 3.45Å; R337-N339 VanDerWaalsContact C-N 3.35Å; R337-N339 PolarHBondContact O-N 2.85Å; N339-H342 WeakPolarHBondContact O-CB 3.34Å; N339-H342 PolarHBondContact O-N 3.12Å; N339-E343 WeakPolarHBondContact O-CB 3.35Å; N339-E343 WeakPolarHBondContact O-CG 3.46Å; N339-E343 PolarHBondContact O-N 2.94Å
340K95.6Very high95.3Very high158 Ų15890.6 Ų90.669%0.68744%0.438SS*.Hα-helixtrans-64.7-39.9177.7-173.2179179.4-1770112.5A336 R337 V338 H344A336-K340 WeakPolarHBondContact O-CB 3.44Å; A336-K340 PolarHBondContact O-N 3.05Å; R337-K340 PolarHBondContact O-N 3.13Å; V338-K340 VanDerWaalsContact C-N 3.35Å; V338-K340 PolarHBondContact O-N 3.06Å; K340-H344 WeakPolarHBondContact O-CB 3.44Å; K340-H344 PolarHBondContact O-N 3.11Å
341E93.2Very high95.2Very high61 Ų6189.2 Ų89.229%0.28544%0.44SS..Hα-helixtrans-68.1-42.3175.7-175.254.2-147.200111.5R337 V338 H344 K345 F413R337-E341 PolarHBondContact O-N 3.23Å; V338-E341 PolarHBondContact O-N 2.86Å; E341-H344 PolarHBondContact O-N 3.17Å; E341-K345 HydrophobicContact CG-CD 4.2Å; E341-K345 WeakPolarHBondContact O-CB 3.43Å; E341-K345 WeakPolarHBondContact O-CG 3.36Å; E341-K345 PolarHBondContact O-N 2.82Å; E341-K345 WeakPolarHBondContact OE1-CE 3.29Å; E341-F413 HydrophobicContact CB-CD1 4.46Å; E341-F413 HydrophobicContact CB-CE1 4.22Å; E341-F413 HydrophobicContact CG-CD1 4.1Å; E341-F413 HydrophobicContact CG-CE1 4.1Å
342H95.1Very high95.1Very high87 Ų8784.6 Ų84.640%0.40342%0.42SS..Hα-helixtrans-58.2-47.5173.3167.4-104.8000112.3V338 N339 H344 L346 F413V338-H342 WeakPolarHBondContact O-CB 3.3Å; V338-H342 PolarHBondContact O-N 2.86Å; N339-H342 WeakPolarHBondContact O-CB 3.34Å; N339-H342 PolarHBondContact O-N 3.12Å; H342-H344 VanDerWaalsContact C-N 3.34Å; H342-H344 PolarHBondContact O-N 3.45Å; H342-L346 VanDerWaalsContact CE1-CD1 3.44Å; H342-L346 WeakPolarHBondContact CE1-CD1 3.22Å; H342-L346 WeakPolarHBondContact NE2-CD1 3.17Å; H342-L346 WeakPolarHBondContact O-CB 3.3Å; H342-L346 WeakPolarHBondContact O-CG 3.34Å; H342-L346 PolarHBondContact O-N 3.26Å; H342-F413 HydrophobicContact CB-CE1 4.01Å; H342-F413 HydrophobicContact CB-CZ 3.84Å
343E96.4Very high94.9Very high131 Ų13186.5 Ų86.561%0.61242%0.421SS*.Hα-helixtrans-62.3-39.9175.2-76.2176-174.900112.2N339 K347N339-E343 WeakPolarHBondContact O-CB 3.35Å; N339-E343 WeakPolarHBondContact O-CG 3.46Å; N339-E343 PolarHBondContact O-N 2.94Å; E343-K347 WeakPolarHBondContact O-CB 3.24Å; E343-K347 PolarHBondContact O-N 3.11Å
344H94.8Very high94.9Very high98 Ų9885.1 Ų85.145%0.45442%0.422SS..Hα-helixtrans-64.2-52.1176.7-177.553.5000111.9K340 E341 H342 L346 K347 V348K340-H344 WeakPolarHBondContact O-CB 3.44Å; K340-H344 PolarHBondContact O-N 3.11Å; E341-H344 PolarHBondContact O-N 3.17Å; H342-H344 VanDerWaalsContact C-N 3.34Å; H342-H344 PolarHBondContact O-N 3.45Å; H344-L346 PolarHBondContact O-N 2.96Å; H344-K347 PolarHBondContact O-N 3.06Å; H344-K347 VanDerWaalsContact O-N 3.15Å; H344-V348 WeakPolarHBondContact O-CG2 3.38Å; H344-V348 PolarHBondContact O-N 3.05Å
345K94.4Very high94.7Very high16 Ų1687.5 Ų87.57%0.0743%0.432CS..Hα-helixtrans-55.7-49.2176-76.7174172.6-101.60111.6E341 K347 V348 V349 M409 T410 D412 F413E341-K345 HydrophobicContact CG-CD 4.2Å; E341-K345 WeakPolarHBondContact O-CB 3.43Å; E341-K345 WeakPolarHBondContact O-CG 3.36Å; E341-K345 PolarHBondContact O-N 2.82Å; E341-K345 WeakPolarHBondContact OE1-CE 3.29Å; K345-K347 VanDerWaalsContact C-N 3.33Å; K345-K347 PolarHBondContact O-N 3.47Å; K345-V348 PolarHBondContact O-N 3.47Å; K345-V349 WeakPolarHBondContact O-CG2 3.32Å; K345-V349 PolarHBondContact O-N 2.93Å; K345-V349 VanDerWaalsContact O-N 3.1Å; K345-M409 HydrophobicContact CB-CG 4.33Å; K345-M409 HydrophobicContact CD-CE 4.39Å; K345-M409 HydrophobicContact CG-CE 3.62Å; K345-M409 HydrophobicContact CG-CG 3.81Å; K345-T410 PolarHBondContact NZ-O 3.26Å; K345-T410 PolarHBondContact NZ-OG1 3.23Å; K345-T410 VanDerWaalsContact NZ-OG1 3.08Å; K345-D412 WeakPolarHBondContact CE-O 3.38Å; K345-D412 PolarHBondContact NZ-O 2.93Å; K345-F413 HydrophobicContact CD-CZ 4.43Å
346L95.2Very high94.5Very high60 Ų6084.2 Ų84.231%0.31442%0.417SS..Hα-helixtrans-61.6-38.3177-77.8-178.7000112.8H342 H344 R350H342-L346 VanDerWaalsContact CE1-CD1 3.44Å; H342-L346 WeakPolarHBondContact CE1-CD1 3.22Å; H342-L346 WeakPolarHBondContact NE2-CD1 3.17Å; H342-L346 WeakPolarHBondContact O-CB 3.3Å; H342-L346 WeakPolarHBondContact O-CG 3.34Å; H342-L346 PolarHBondContact O-N 3.26Å; H344-L346 PolarHBondContact O-N 2.96Å; L346-R350 WeakPolarHBondContact O-CB 3.46Å; L346-R350 WeakPolarHBondContact O-CD 3.27Å; L346-R350 WeakPolarHBondContact O-CG 3.41Å; L346-R350 PolarHBondContact O-N 3.26Å
347K96.1Very high94.4Very high125 Ų12583.9 Ų83.954%0.54341%0.409SS..Hα-helixtrans-63.5-50.9176.3-177.2177.4177.3-176.30111.2E343 H344 K345 V349 R350 D351E343-K347 WeakPolarHBondContact O-CB 3.24Å; E343-K347 PolarHBondContact O-N 3.11Å; H344-K347 PolarHBondContact O-N 3.06Å; H344-K347 VanDerWaalsContact O-N 3.15Å; K345-K347 VanDerWaalsContact C-N 3.33Å; K345-K347 PolarHBondContact O-N 3.47Å; K347-V349 VanDerWaalsContact C-N 3.28Å; K347-V349 PolarHBondContact O-N 3.38Å; K347-R350 PolarHBondContact O-N 3.07Å; K347-D351 VanDerWaalsContact CE-OD2 3.28Å; K347-D351 WeakPolarHBondContact CE-OD2 3.35Å; K347-D351 WeakPolarHBondContact CG-OD2 3.46Å; K347-D351 WeakPolarHBondContact O-CB 3.5Å; K347-D351 VanDerWaalsContact O-CG 3.26Å; K347-D351 PolarHBondContact O-N 3Å
348V94.6Very high94.4Very high37 Ų3780.4 Ų80.422%0.22440%0.403CS..Hα-helixtrans-56.6-43180173.30000111.5H344 K345 Q352 R408 M409H344-V348 WeakPolarHBondContact O-CG2 3.38Å; H344-V348 PolarHBondContact O-N 3.05Å; K345-V348 PolarHBondContact O-N 3.47Å; V348-Q352 PolarHBondContact O-N 3.41Å; V348-R408 HydrophobicContact CG1-CB 4.2Å; V348-M409 HydrophobicContact CG1-CB 4.16Å
349V94.1Very high94.1Very high64 Ų6478.5 Ų78.539%0.38839%0.39SS..Hα-helixtrans-68.4-44178.1174.60000112K345 K347 D351 Q352 I353 M409K345-V349 WeakPolarHBondContact O-CG2 3.32Å; K345-V349 PolarHBondContact O-N 2.93Å; K345-V349 VanDerWaalsContact O-N 3.1Å; K347-V349 VanDerWaalsContact C-N 3.28Å; K347-V349 PolarHBondContact O-N 3.38Å; V349-D351 PolarHBondContact O-N 3.37Å; V349-Q352 PolarHBondContact O-N 2.94Å; V349-I353 HydrophobicContact CG1-CD1 3.88Å; V349-I353 VanDerWaalsContact O-CG1 3.31Å; V349-I353 WeakPolarHBondContact O-CG1 3.33Å; V349-I353 PolarHBondContact O-N 2.67Å; V349-M409 HydrophobicContact CG2-CB 4.35Å
350R95.4Very high94Very high158 Ų15878.8 Ų78.860%0.59639%0.391SS*.Hα-helixtrans-61.9-42.8175.9-73.6168.1-174.7159.80.9112.2L346 K347 Q352 I353 S354L346-R350 WeakPolarHBondContact O-CB 3.46Å; L346-R350 WeakPolarHBondContact O-CD 3.27Å; L346-R350 WeakPolarHBondContact O-CG 3.41Å; L346-R350 PolarHBondContact O-N 3.26Å; K347-R350 PolarHBondContact O-N 3.07Å; R350-Q352 VanDerWaalsContact C-N 3.33Å; R350-Q352 PolarHBondContact O-N 3.01Å; R350-I353 PolarHBondContact O-N 2.89Å; R350-S354 WeakPolarHBondContact O-CB 3.43Å; R350-S354 PolarHBondContact O-N 2.79Å
351D94.6Very high94Very high91 Ų9180 Ų8049%0.48739%0.391SS..Hα-helixtrans-64.5-39178.6-68.9-13.7000110.6K347 V349 S354 H355K347-D351 VanDerWaalsContact CE-OD2 3.28Å; K347-D351 WeakPolarHBondContact CE-OD2 3.35Å; K347-D351 WeakPolarHBondContact CG-OD2 3.46Å; K347-D351 WeakPolarHBondContact O-CB 3.5Å; K347-D351 VanDerWaalsContact O-CG 3.26Å; K347-D351 PolarHBondContact O-N 3Å; V349-D351 PolarHBondContact O-N 3.37Å; D351-S354 PolarHBondContact O-N 2.83Å; D351-H355 WeakPolarHBondContact O-CB 3.29Å; D351-H355 PolarHBondContact O-N 3.09Å
352Q92.2Very high94Very high29 Ų2983.3 Ų83.314%0.13641%0.407CS..Hα-helixtrans-66.2-43.1173.1-174.1168.710.300112.6V348 V349 R350 S354 H355 C356 T404 T406V348-Q352 PolarHBondContact O-N 3.41Å; V349-Q352 PolarHBondContact O-N 2.94Å; R350-Q352 VanDerWaalsContact C-N 3.33Å; R350-Q352 PolarHBondContact O-N 3.01Å; Q352-S354 VanDerWaalsContact C-N 3.34Å; Q352-S354 PolarHBondContact O-N 2.71Å; Q352-H355 PolarHBondContact O-N 2.99Å; Q352-C356 PolarHBondContact O-N 3.32Å; Q352-C356 PolarHBondContact O-SG 2.99Å; Q352-T404 PolarHBondContact NE2-O 3.28Å; Q352-T406 PolarHBondContact NE2-O 2.81Å
353I93.3Very high93.9Very high101 Ų10181 Ų8152%0.51840%0.399SS..Hα-helixtrans-60.1-44.9175.6-70.6165.3000110.7V349 R350 C356 T357V349-I353 HydrophobicContact CG1-CD1 3.88Å; V349-I353 VanDerWaalsContact O-CG1 3.31Å; V349-I353 WeakPolarHBondContact O-CG1 3.33Å; V349-I353 PolarHBondContact O-N 2.67Å; R350-I353 PolarHBondContact O-N 2.89Å; I353-C356 PolarHBondContact O-N 2.94Å; I353-T357 WeakPolarHBondContact O-CB 3.32Å; I353-T357 PolarHBondContact O-N 2.75Å; I353-T357 PolarHBondContact O-OG1 3.38Å
354S95.1Very high93.8Very high71 Ų7177.2 Ų77.250%0.49739%0.385SS..Hα-helixtrans-59.7-50.2177.7-174.10000111.4R350 D351 Q352 C356 T357 V358R350-S354 WeakPolarHBondContact O-CB 3.43Å; R350-S354 PolarHBondContact O-N 2.79Å; D351-S354 PolarHBondContact O-N 2.83Å; Q352-S354 VanDerWaalsContact C-N 3.34Å; Q352-S354 PolarHBondContact O-N 2.71Å; S354-C356 PolarHBondContact O-N 2.8Å; S354-T357 PolarHBondContact O-N 2.94Å; S354-V358 WeakPolarHBondContact O-CG2 3.28Å; S354-V358 PolarHBondContact O-N 2.81Å
355H91.7Very high93.9Very high97 Ų9774.2 Ų74.245%0.44938%0.38SS..Hα-helixtrans-58-47.9177.6-179.775.2000112.4D351 Q352 T357 V358 K359D351-H355 WeakPolarHBondContact O-CB 3.29Å; D351-H355 PolarHBondContact O-N 3.09Å; Q352-H355 PolarHBondContact O-N 2.99Å; H355-T357 VanDerWaalsContact C-N 3.33Å; H355-T357 PolarHBondContact O-N 3.4Å; H355-V358 PolarHBondContact O-N 2.7Å; H355-K359 WeakPolarHBondContact O-CB 3.28Å; H355-K359 PolarHBondContact O-N 3.31Å
356C91.6Very high94Very high29 Ų2974.2 Ų74.220%0.19638%0.381CS..Hα-helixtrans-64.4-37.6178.8-62.30000112Q352 I353 S354 K359 L360Q352-C356 PolarHBondContact O-N 3.32Å; Q352-C356 PolarHBondContact O-SG 2.99Å; I353-C356 PolarHBondContact O-N 2.94Å; S354-C356 PolarHBondContact O-N 2.8Å; C356-K359 PolarHBondContact O-N 3.08Å; C356-L360 VanDerWaalsContact O-CB 3.24Å; C356-L360 WeakPolarHBondContact O-CB 3.28Å; C356-L360 PolarHBondContact O-N 2.88Å
357T93.6Very high94Very high54 Ų5476.7 Ų76.733%0.33139%0.392SS..Hα-helixtrans-65.4-42.8178.4-58.20000112I353 S354 H355 R361I353-T357 WeakPolarHBondContact O-CB 3.32Å; I353-T357 PolarHBondContact O-N 2.75Å; I353-T357 PolarHBondContact O-OG1 3.38Å; S354-T357 PolarHBondContact O-N 2.94Å; H355-T357 VanDerWaalsContact C-N 3.33Å; H355-T357 PolarHBondContact O-N 3.4Å; T357-R361 WeakPolarHBondContact O-CG 3.33Å; T357-R361 PolarHBondContact O-N 3.11Å; T357-R361 VanDerWaalsContact O-N 3.14Å
358V93.7Very high94Very high69 Ų6976.3 Ų76.342%0.41839%0.392SS..Hα-helixtrans-65.3-47.4176.61730000110.6S354 H355 L360 R361 Q362S354-V358 WeakPolarHBondContact O-CG2 3.28Å; S354-V358 PolarHBondContact O-N 2.81Å; H355-V358 PolarHBondContact O-N 2.7Å; V358-L360 VanDerWaalsContact C-N 3.34Å; V358-L360 PolarHBondContact O-N 3.43Å; V358-R361 PolarHBondContact O-N 3.28Å; V358-Q362 WeakPolarHBondContact O-CG 3.33Å; V358-Q362 PolarHBondContact O-N 3.06Å
359K91.1Very high94.1Very high20 Ų2079.8 Ų79.89%0.08740%0.402CS..Hα-helixtrans-62.5-39179.8-164.3179-172.6165.70112.4H355 C356 Q362 T363 Q399 W400 T404H355-K359 WeakPolarHBondContact O-CB 3.28Å; H355-K359 PolarHBondContact O-N 3.31Å; C356-K359 PolarHBondContact O-N 3.08Å; K359-Q362 PolarHBondContact O-N 3.1Å; K359-T363 WeakPolarHBondContact O-CB 3.16Å; K359-T363 PolarHBondContact O-N 3.48Å; K359-T363 PolarHBondContact O-OG1 3.37Å; K359-Q399 WeakPolarHBondContact CE-O 3.49Å; K359-Q399 PolarHBondContact NZ-O 3.29Å; K359-W400 HydrophobicContact CB-CH2 4.09Å; K359-W400 HydrophobicContact CB-CZ2 4.01Å; K359-W400 HydrophobicContact CD-CD2 4.21Å; K359-W400 HydrophobicContact CD-CE3 4.27Å; K359-W400 HydrophobicContact CD-CH2 4.13Å; K359-W400 HydrophobicContact CD-CZ2 4.07Å; K359-W400 HydrophobicContact CD-CZ3 4.23Å; K359-W400 HydrophobicContact CG-CH2 4.05Å; K359-W400 HydrophobicContact CG-CZ2 3.65Å; K359-T404 HydrophobicContact CD-CG2 4.1Å; K359-T404 PolarHBondContact NZ-OG1 2.82Å
360L92.8Very high94.2Very high99 Ų9977.7 Ų77.752%0.51839%0.39SS..Hα-helixtrans-61.4-52.2174.2-175.461.3000111C356 V358 Q362 T363 T364 W400C356-L360 VanDerWaalsContact O-CB 3.24Å; C356-L360 WeakPolarHBondContact O-CB 3.28Å; C356-L360 PolarHBondContact O-N 2.88Å; V358-L360 VanDerWaalsContact C-N 3.34Å; V358-L360 PolarHBondContact O-N 3.43Å; L360-Q362 VanDerWaalsContact C-N 3.31Å; L360-Q362 PolarHBondContact O-N 2.97Å; L360-T363 PolarHBondContact O-N 2.82Å; L360-T364 PolarHBondContact O-N 3.49Å; L360-T364 PolarHBondContact O-OG1 3.12Å; L360-T364 VanDerWaalsContact O-OG1 3.11Å; L360-W400 HydrophobicContact CB-CH2 4.19Å; L360-W400 HydrophobicContact CB-CZ2 4.39Å
361R95.1Very high94.1Very high184 Ų18474.9 Ų74.969%0.69439%0.386SS*.Hα-helixtrans-57.2-41.7177.3-70.9172.3-178.8177.41112.8T357 V358 G365T357-R361 WeakPolarHBondContact O-CG 3.33Å; T357-R361 PolarHBondContact O-N 3.11Å; T357-R361 VanDerWaalsContact O-N 3.14Å; V358-R361 PolarHBondContact O-N 3.28Å; R361-G365 PolarHBondContact O-N 2.82Å
362Q93Very high94.2Very high130 Ų13075.9 Ų75.961%0.60739%0.388SS*.Hα-helixtrans-63.6-39.9175.7-72.8171.4-24.200112.3V358 K359 L360 L366V358-Q362 WeakPolarHBondContact O-CG 3.33Å; V358-Q362 PolarHBondContact O-N 3.06Å; K359-Q362 PolarHBondContact O-N 3.1Å; L360-Q362 VanDerWaalsContact C-N 3.31Å; L360-Q362 PolarHBondContact O-N 2.97Å; Q362-L366 WeakPolarHBondContact O-CB 3.44Å; Q362-L366 PolarHBondContact O-N 3.49Å
363T93.4Very high94.3Very high39 Ų3975.3 Ų75.324%0.23939%0.387CS..Hα-helixtrans-69.6-44178.2-52.50000111.2K359 L360 L366 M367 T396 W400K359-T363 WeakPolarHBondContact O-CB 3.16Å; K359-T363 PolarHBondContact O-N 3.48Å; K359-T363 PolarHBondContact O-OG1 3.37Å; L360-T363 PolarHBondContact O-N 2.82Å; T363-L366 PolarHBondContact O-N 2.85Å; T363-M367 WeakPolarHBondContact O-CB 3.44Å; T363-M367 PolarHBondContact O-N 2.99Å; T363-T396 HydrophobicContact CG2-CG2 4.24Å; T363-W400 PolarHBondContact OG1-NE1 2.92Å
364T95Very high94.4Very high51 Ų5176.1 Ų76.131%0.31339%0.391SS..Hα-helixtrans-59.5-49.7174.9-56.30000111.5L360 L366 M367 E368L360-T364 PolarHBondContact O-N 3.49Å; L360-T364 PolarHBondContact O-OG1 3.12Å; L360-T364 VanDerWaalsContact O-OG1 3.11Å; T364-L366 VanDerWaalsContact C-N 3.33Å; T364-L366 PolarHBondContact O-N 2.8Å; T364-M367 WeakPolarHBondContact O-CB 3.43Å; T364-M367 PolarHBondContact O-N 2.85Å; T364-M367 VanDerWaalsContact O-N 3.11Å; T364-E368 HydrophobicContact CG2-CG 4.41Å; T364-E368 WeakPolarHBondContact CG2-OE1 3.25Å; T364-E368 WeakPolarHBondContact O-CG 3.07Å; T364-E368 PolarHBondContact O-N 3.33Å
365G96.3Very high94.4Very high34 Ų3478.5 Ų78.535%0.35139%0.392SS..Hα-helixtrans-65.6-31.517900000114R361 Y369R361-G365 PolarHBondContact O-N 2.82Å; G365-Y369 WeakPolarHBondContact O-CB 3.45Å; G365-Y369 PolarHBondContact O-N 3.4Å; G365-Y369 VanDerWaalsContact O-N 3.08Å
366L95.9Very high94.6Very high17 Ų1779.1 Ų79.19%0.08940%0.395CS..Hα-helixtrans-67-43.6170.417760.5000111.3Q362 T363 T364 Y369 C370 L389 R392 V393 T396Q362-L366 WeakPolarHBondContact O-CB 3.44Å; Q362-L366 PolarHBondContact O-N 3.49Å; T363-L366 PolarHBondContact O-N 2.85Å; T364-L366 VanDerWaalsContact C-N 3.33Å; T364-L366 PolarHBondContact O-N 2.8Å; L366-Y369 PolarHBondContact O-N 3Å; L366-C370 WeakPolarHBondContact O-CB 3.46Å; L366-C370 PolarHBondContact O-N 3.41Å; L366-C370 PolarHBondContact O-SG 2.9Å; L366-L389 HydrophobicContact CD1-CD2 4.13Å; L366-R392 HydrophobicContact CD1-CB 4.48Å; L366-R392 HydrophobicContact CD2-CB 4.47Å; L366-V393 HydrophobicContact CD2-CG2 4.23Å; L366-V393 HydrophobicContact CG-CG2 4.38Å; L366-T396 HydrophobicContact CD2-CG2 4.4Å; L366-T396 WeakPolarHBondContact CD2-OG1 3.44Å
367M94.9Very high94.6Very high111 Ų11184.8 Ų84.855%0.54742%0.423SS..Hα-helixtrans-63.9-45.2178.4-175.7175.47200111.7T363 T364 Y369 C370 L371T363-M367 WeakPolarHBondContact O-CB 3.44Å; T363-M367 PolarHBondContact O-N 2.99Å; T364-M367 WeakPolarHBondContact O-CB 3.43Å; T364-M367 PolarHBondContact O-N 2.85Å; T364-M367 VanDerWaalsContact O-N 3.11Å; M367-Y369 PolarHBondContact O-N 3.25Å; M367-C370 PolarHBondContact O-N 3.44Å; M367-L371 HydrophobicContact CG-CD1 4.23Å; M367-L371 WeakPolarHBondContact O-CB 3.22Å; M367-L371 VanDerWaalsContact O-CG 3.28Å; M367-L371 WeakPolarHBondContact O-CG 3.34Å; M367-L371 PolarHBondContact O-N 3.18Å
368E96.3Very high94.7Very high117 Ų11785.5 Ų85.555%0.54743%0.426SS..Hα-helixtrans-59.1-45.1174.2-72.1169.1171.700111.6T364 L371 E372T364-E368 HydrophobicContact CG2-CG 4.41Å; T364-E368 WeakPolarHBondContact CG2-OE1 3.25Å; T364-E368 WeakPolarHBondContact O-CG 3.07Å; T364-E368 PolarHBondContact O-N 3.33Å; E368-L371 PolarHBondContact O-N 3.17Å; E368-E372 PolarHBondContact O-N 2.97Å
369Y96.9Very high94.7Very high110 Ų11086.6 Ų86.643%0.43143%0.434SS..Hα-helixtrans-64.4-42.3176.5179.6-121.6000112.7G365 L366 M367 L371 E372 V373 L389G365-Y369 WeakPolarHBondContact O-CB 3.45Å; G365-Y369 PolarHBondContact O-N 3.4Å; G365-Y369 VanDerWaalsContact O-N 3.08Å; L366-Y369 PolarHBondContact O-N 3Å; M367-Y369 PolarHBondContact O-N 3.25Å; Y369-L371 VanDerWaalsContact C-N 3.34Å; Y369-L371 PolarHBondContact O-N 2.99Å; Y369-E372 PolarHBondContact O-N 3.21Å; Y369-V373 HydrophobicContact CD2-CG2 4.2Å; Y369-V373 HydrophobicContact CE1-CG2 4.15Å; Y369-V373 HydrophobicContact CE2-CG2 3.7Å; Y369-V373 WeakPolarHBondContact O-CG2 3.48Å; Y369-V373 PolarHBondContact O-N 3.16Å; Y369-L389 HydrophobicContact CD1-CD1 4.48Å; Y369-L389 HydrophobicContact CD1-CD2 3.8Å; Y369-L389 HydrophobicContact CE1-CD1 3.95Å; Y369-L389 HydrophobicContact CE1-CD2 3.71Å; Y369-L389 HydrophobicContact CE1-CG 4.4Å
370C96.1Very high94.8Very high21 Ų2188.9 Ų88.914%0.14245%0.453CS..Hα-helixtrans-62.2-40174.3-72.10000112L366 M367 E372 V373 I374L366-C370 WeakPolarHBondContact O-CB 3.46Å; L366-C370 PolarHBondContact O-N 3.41Å; L366-C370 PolarHBondContact O-SG 2.9Å; M367-C370 PolarHBondContact O-N 3.44Å; C370-E372 VanDerWaalsContact C-N 3.29Å; C370-E372 PolarHBondContact O-N 3.34Å; C370-V373 PolarHBondContact O-N 3.14Å; C370-I374 WeakPolarHBondContact O-CD1 3.27Å; C370-I374 VanDerWaalsContact O-CG1 3.23Å; C370-I374 WeakPolarHBondContact O-CG1 3.4Å; C370-I374 PolarHBondContact O-N 3.38Å
371L94.8Very high94.8Very high99 Ų9985.2 Ų85.252%0.51844%0.439SS..Hα-helixtrans-65.3-30175.9-73.5169.3000113M367 E368 Y369M367-L371 HydrophobicContact CG-CD1 4.23Å; M367-L371 WeakPolarHBondContact O-CB 3.22Å; M367-L371 VanDerWaalsContact O-CG 3.28Å; M367-L371 WeakPolarHBondContact O-CG 3.34Å; M367-L371 PolarHBondContact O-N 3.18Å; E368-L371 PolarHBondContact O-N 3.17Å; Y369-L371 VanDerWaalsContact C-N 3.34Å; Y369-L371 PolarHBondContact O-N 2.99Å
372E95.5Very high94.8Very high111 Ų11179.8 Ų79.852%0.51942%0.42SS..Hα-helixtrans-75.6-44173.1-151.862.8-139.600111.6E368 Y369 C370 I374 K375E368-E372 PolarHBondContact O-N 2.97Å; Y369-E372 PolarHBondContact O-N 3.21Å; C370-E372 VanDerWaalsContact C-N 3.29Å; C370-E372 PolarHBondContact O-N 3.34Å; E372-I374 PolarHBondContact O-N 2.89Å; E372-K375 WeakPolarHBondContact O-CB 3.46Å; E372-K375 PolarHBondContact O-N 3.23Å; E372-K375 WeakPolarHBondContact OE1-CD 3.26Å; E372-K375 IonicContact OE1-NZ 3.16Å; E372-K375 PolarHBondContact OE1-NZ 3.35Å; E372-K375 IonicContact OE2-NZ 2.71Å; E372-K375 PolarHBondContact OE2-NZ 2.62Å
373V95.4Very high94.9Very high18 Ų1879.3 Ų79.311%0.10942%0.421CS..Hα-helixtrans-61.5-30.9177.4168.30000112.6Y369 C370 K375 E376 F382 I385 L389Y369-V373 HydrophobicContact CD2-CG2 4.2Å; Y369-V373 HydrophobicContact CE1-CG2 4.15Å; Y369-V373 HydrophobicContact CE2-CG2 3.7Å; Y369-V373 WeakPolarHBondContact O-CG2 3.48Å; Y369-V373 PolarHBondContact O-N 3.16Å; C370-V373 PolarHBondContact O-N 3.14Å; V373-K375 PolarHBondContact O-N 2.95Å; V373-E376 WeakPolarHBondContact O-CB 3.49Å; V373-E376 PolarHBondContact O-N 3.34Å; V373-F382 HydrophobicContact CG1-CD2 4.12Å; V373-F382 HydrophobicContact CG1-CE2 4.19Å; V373-I385 HydrophobicContact CG1-CD1 3.71Å; V373-I385 HydrophobicContact CG1-CG1 4.12Å; V373-I385 HydrophobicContact CG2-CD1 3.94Å; V373-L389 HydrophobicContact CB-CD1 4.29Å; V373-L389 HydrophobicContact CG1-CD1 3.96Å; V373-L389 HydrophobicContact CG2-CD1 4.06Å
374I95.3Very high95Very high118 Ų11884.7 Ų84.761%0.60544%0.444SS*.THydrogen-bonded Turntrans-65.2-15.8174.9-74.3163.9000112.8C370 E372C370-I374 WeakPolarHBondContact O-CD1 3.27Å; C370-I374 VanDerWaalsContact O-CG1 3.23Å; C370-I374 WeakPolarHBondContact O-CG1 3.4Å; C370-I374 PolarHBondContact O-N 3.38Å; E372-I374 PolarHBondContact O-N 2.89Å
375K94.8Very high94.9Very high120 Ų12085.5 Ų85.552%0.52245%0.445SS..THydrogen-bonded Turntrans-88.7-1.6176.1-52.7171.5-167.61700113.8E372 V373 N377E372-K375 WeakPolarHBondContact O-CB 3.46Å; E372-K375 PolarHBondContact O-N 3.23Å; E372-K375 WeakPolarHBondContact OE1-CD 3.26Å; E372-K375 IonicContact OE1-NZ 3.16Å; E372-K375 PolarHBondContact OE1-NZ 3.35Å; E372-K375 IonicContact OE2-NZ 2.71Å; E372-K375 PolarHBondContact OE2-NZ 2.62Å; V373-K375 PolarHBondContact O-N 2.95Å; K375-N377 PolarHBondContact O-ND2 3.39Å
376E94.9Very high94.8Very high110 Ų11084.5 Ų84.551%0.51443%0.433SS..  trans-64137.3-178.9-174.250.2-101.100111.1V373 D378 F382V373-E376 WeakPolarHBondContact O-CB 3.49Å; V373-E376 PolarHBondContact O-N 3.34Å; E376-D378 PolarHBondContact OE1-N 3.15Å; E376-F382 HydrophobicContact CB-CB 4.49Å; E376-F382 HydrophobicContact CG-CB 4.44Å
377N92.7Very high94.8Very high148 Ų14887.9 Ų87.979%0.79145%0.451SS*.  trans-104.2-14-172.9-66.9-92000113K375 P379K375-N377 PolarHBondContact O-ND2 3.39Å; N377-P379 WeakPolarHBondContact O-CD 3.42Å
378D95.1Very high94.7Very high70 Ų7084.7 Ų84.737%0.37444%0.443SS..  trans-86.5115.5166.7175.129.6000111.5E376 S380 G381 F382E376-D378 PolarHBondContact OE1-N 3.15Å; D378-S380 PolarHBondContact O-N 2.8Å; D378-S380 WeakPolarHBondContact OD1-CB 3.46Å; D378-S380 PolarHBondContact OD1-N 2.85Å; D378-S380 PolarHBondContact OD1-OG 3.31Å; D378-S380 WeakPolarHBondContact OD2-CB 3.39Å; D378-S380 PolarHBondContact OD2-OG 3.19Å; D378-G381 PolarHBondContact O-N 2.91Å; D378-G381 PolarHBondContact OD2-N 2.88Å; D378-F382 WeakPolarHBondContact O-CB 3.34Å; D378-F382 PolarHBondContact O-N 3.13Å; D378-F382 VanDerWaalsContact O-N 3.11Å
379P93.1Very high94.7Very high92 Ų9279.6 Ų79.660%0.59742%0.419SS*.Hα-helixtrans-59-28.7173.4-22.434.3000113.4N377 L383N377-P379 WeakPolarHBondContact O-CD 3.42Å; P379-L383 WeakPolarHBondContact O-CB 3.39Å; P379-L383 VanDerWaalsContact O-CG 3.26Å; P379-L383 WeakPolarHBondContact O-CG 3.4Å; P379-L383 PolarHBondContact O-N 2.98Å; P379-L383 VanDerWaalsContact O-N 3.17Å
380S93.6Very high94.7Very high68 Ų6878.7 Ų78.748%0.47642%0.421SS..Hα-helixtrans-74.3-44.5-176.6990000112.1D378 Q384D378-S380 PolarHBondContact O-N 2.8Å; D378-S380 WeakPolarHBondContact OD1-CB 3.46Å; D378-S380 PolarHBondContact OD1-N 2.85Å; D378-S380 PolarHBondContact OD1-OG 3.31Å; D378-S380 WeakPolarHBondContact OD2-CB 3.39Å; D378-S380 PolarHBondContact OD2-OG 3.19Å; S380-Q384 WeakPolarHBondContact O-CG 3.36Å; S380-Q384 PolarHBondContact O-N 3.41Å; S380-Q384 PolarHBondContact O-NE2 3.25Å; S380-Q384 VanDerWaalsContact O-NE2 3.09Å
381G93.1Very high94.6Very high22 Ų2284.1 Ų84.123%0.22744%0.438CS..Hα-helixtrans-67-42.2174.400000112.4D378 L383 Q384D378-G381 PolarHBondContact O-N 2.91Å; D378-G381 PolarHBondContact OD2-N 2.88Å; G381-L383 PolarHBondContact O-N 3.25Å; G381-Q384 PolarHBondContact O-N 3.3Å
382F95.5Very high94.7Very high69 Ų6985.4 Ų85.430%0.30344%0.436SS..Hα-helixtrans-59.3-45.6176.2177.5-96000112.5V373 E376 D378 Q384 I385 S386V373-F382 HydrophobicContact CG1-CD2 4.12Å; V373-F382 HydrophobicContact CG1-CE2 4.19Å; E376-F382 HydrophobicContact CB-CB 4.49Å; E376-F382 HydrophobicContact CG-CB 4.44Å; D378-F382 WeakPolarHBondContact O-CB 3.34Å; D378-F382 PolarHBondContact O-N 3.13Å; D378-F382 VanDerWaalsContact O-N 3.11Å; F382-Q384 VanDerWaalsContact C-N 3.29Å; F382-Q384 PolarHBondContact O-N 2.92Å; F382-I385 PolarHBondContact O-N 3.01Å; F382-S386 VanDerWaalsContact O-CB 3.24Å; F382-S386 WeakPolarHBondContact O-CB 3.39Å; F382-S386 PolarHBondContact O-N 2.88Å; F382-S386 PolarHBondContact O-OG 2.89Å
383L94.6Very high94.6Very high121 Ų12182.9 Ų82.963%0.63443%0.428SS*.Hα-helixtrans-70-21.9-179.9-71.5173.4000113.7P379 G381 I385P379-L383 WeakPolarHBondContact O-CB 3.39Å; P379-L383 VanDerWaalsContact O-CG 3.26Å; P379-L383 WeakPolarHBondContact O-CG 3.4Å; P379-L383 PolarHBondContact O-N 2.98Å; P379-L383 VanDerWaalsContact O-N 3.17Å; G381-L383 PolarHBondContact O-N 3.25Å; L383-I385 VanDerWaalsContact C-N 3.31Å; L383-I385 PolarHBondContact O-N 2.88Å
384Q94.4Very high94.5Very high152 Ų15287 Ų8771%0.7145%0.446SS*.Hα-helixtrans-69.1-25.2174.7-76168.458.600113.5S380 G381 F382S380-Q384 WeakPolarHBondContact O-CG 3.36Å; S380-Q384 PolarHBondContact O-N 3.41Å; S380-Q384 PolarHBondContact O-NE2 3.25Å; S380-Q384 VanDerWaalsContact O-NE2 3.09Å; G381-Q384 PolarHBondContact O-N 3.3Å; F382-Q384 VanDerWaalsContact C-N 3.29Å; F382-Q384 PolarHBondContact O-N 2.92Å
385I94.6Very high94.4Very high67 Ų6786.3 Ų86.334%0.34444%0.443SS..Hα-helixtrans-121.3-26.7-172.963.9174.1000115.2V373 F382 L383 D387 A388 L389V373-I385 HydrophobicContact CG1-CD1 3.71Å; V373-I385 HydrophobicContact CG1-CG1 4.12Å; V373-I385 HydrophobicContact CG2-CD1 3.94Å; F382-I385 PolarHBondContact O-N 3.01Å; L383-I385 VanDerWaalsContact C-N 3.31Å; L383-I385 PolarHBondContact O-N 2.88Å; I385-D387 PolarHBondContact O-N 3.47Å; I385-A388 PolarHBondContact O-N 3.36Å; I385-L389 HydrophobicContact CD1-CD1 4.45Å; I385-L389 HydrophobicContact CG1-CD1 4.44Å; I385-L389 PolarHBondContact O-N 3.14Å; I385-L389 VanDerWaalsContact O-N 3.07Å
386S93.2Very high94.2Very high13 Ų1382.1 Ų82.19%0.09143%0.427CS..Hα-helixtrans-59.2-43.9-173.951.70000112.6F382 A388 L389 I390F382-S386 VanDerWaalsContact O-CB 3.24Å; F382-S386 WeakPolarHBondContact O-CB 3.39Å; F382-S386 PolarHBondContact O-N 2.88Å; F382-S386 PolarHBondContact O-OG 2.89Å; S386-A388 VanDerWaalsContact C-N 3.3Å; S386-A388 PolarHBondContact O-N 3.27Å; S386-L389 CarbonylContact O-C 3.59Å; S386-L389 WeakPolarHBondContact O-CA 3.41Å; S386-L389 WeakPolarHBondContact O-CB 3.45Å; S386-L389 PolarHBondContact O-N 2.81Å; S386-I390 VanDerWaalsContact O-CG1 3.31Å; S386-I390 WeakPolarHBondContact O-CG1 3.1Å; S386-I390 PolarHBondContact O-N 2.9Å
387D95.2Very high93.9Very high89 Ų8982.8 Ų82.848%0.47643%0.431SS..Hα-helixtrans-61.9-34.9-179.8-165.358.5000113I385 R391I385-D387 PolarHBondContact O-N 3.47Å; D387-R391 VanDerWaalsContact CG-NH1 3.29Å; D387-R391 PolarHBondContact O-N 3.04Å; D387-R391 PolarHBondContact O-NH1 2.92Å; D387-R391 PolarHBondContact O-NH2 2.91Å; D387-R391 IonicContact OD1-NH1 3.61Å; D387-R391 IonicContact OD2-CZ 3.23Å; D387-R391 VanDerWaalsContact OD2-CZ 3.23Å; D387-R391 IonicContact OD2-NH1 2.66Å; D387-R391 PolarHBondContact OD2-NH1 2.68Å; D387-R391 IonicContact OD2-NH2 2.89Å; D387-R391 PolarHBondContact OD2-NH2 2.99Å
388A94.8Very high93.6Very high44 Ų4481.6 Ų81.636%0.36442%0.424SS..Hα-helixtrans-74.9-32.6172.800000112.7I385 S386 R392I385-A388 PolarHBondContact O-N 3.36Å; S386-A388 VanDerWaalsContact C-N 3.3Å; S386-A388 PolarHBondContact O-N 3.27Å; A388-R392 WeakPolarHBondContact O-CG 3.42Å; A388-R392 PolarHBondContact O-N 2.69Å; A388-R392 VanDerWaalsContact O-N 3.12Å
389L95.6Very high93.2Very high10 Ų1084 Ų845%0.05243%0.433CS..Hα-helixtrans-71.7-40.5175.4-77.2164000112.2L366 Y369 V373 I385 S386 R391 R392 V393L366-L389 HydrophobicContact CD1-CD2 4.13Å; Y369-L389 HydrophobicContact CD1-CD1 4.48Å; Y369-L389 HydrophobicContact CD1-CD2 3.8Å; Y369-L389 HydrophobicContact CE1-CD1 3.95Å; Y369-L389 HydrophobicContact CE1-CD2 3.71Å; Y369-L389 HydrophobicContact CE1-CG 4.4Å; V373-L389 HydrophobicContact CB-CD1 4.29Å; V373-L389 HydrophobicContact CG1-CD1 3.96Å; V373-L389 HydrophobicContact CG2-CD1 4.06Å; I385-L389 HydrophobicContact CD1-CD1 4.45Å; I385-L389 HydrophobicContact CG1-CD1 4.44Å; I385-L389 PolarHBondContact O-N 3.14Å; I385-L389 VanDerWaalsContact O-N 3.07Å; S386-L389 CarbonylContact O-C 3.59Å; S386-L389 WeakPolarHBondContact O-CA 3.41Å; S386-L389 WeakPolarHBondContact O-CB 3.45Å; S386-L389 PolarHBondContact O-N 2.81Å; L389-R391 VanDerWaalsContact C-N 3.28Å; L389-R391 PolarHBondContact O-N 2.8Å; L389-R392 CarbonylContact O-C 3.57Å; L389-R392 WeakPolarHBondContact O-CA 3.49Å; L389-R392 WeakPolarHBondContact O-CB 3.47Å; L389-R392 PolarHBondContact O-N 3.4Å; L389-V393 WeakPolarHBondContact O-CG2 3.28Å; L389-V393 PolarHBondContact O-N 3.14Å
390I95.7Very high92.7Very high91 Ų9182.5 Ų82.547%0.46742%0.416SS..Hα-helixtrans-56.5-43.8173.5-69.5164.3000110.2S386 V393 H394S386-I390 VanDerWaalsContact O-CG1 3.31Å; S386-I390 WeakPolarHBondContact O-CG1 3.1Å; S386-I390 PolarHBondContact O-N 2.9Å; I390-V393 PolarHBondContact O-N 3.03Å; I390-H394 PolarHBondContact O-N 2.8Å; I390-H394 PolarHBondContact O-ND1 3.4Å
391R95.6Very high91.7Very high134 Ų13481 Ų8151%0.50641%0.411SS..Hα-helixtrans-62.2-43172.7-75.3-174.9-75-813.1112.8D387 L389 V393 L395D387-R391 VanDerWaalsContact CG-NH1 3.29Å; D387-R391 PolarHBondContact O-N 3.04Å; D387-R391 PolarHBondContact O-NH1 2.92Å; D387-R391 PolarHBondContact O-NH2 2.91Å; D387-R391 IonicContact OD1-NH1 3.61Å; D387-R391 IonicContact OD2-CZ 3.23Å; D387-R391 VanDerWaalsContact OD2-CZ 3.23Å; D387-R391 IonicContact OD2-NH1 2.66Å; D387-R391 PolarHBondContact OD2-NH1 2.68Å; D387-R391 IonicContact OD2-NH2 2.89Å; D387-R391 PolarHBondContact OD2-NH2 2.99Å; L389-R391 VanDerWaalsContact C-N 3.28Å; L389-R391 PolarHBondContact O-N 2.8Å; R391-V393 PolarHBondContact O-N 2.96Å; R391-L395 WeakPolarHBondContact O-CB 3.38Å; R391-L395 VanDerWaalsContact O-CG 3.25Å; R391-L395 WeakPolarHBondContact O-CG 3.48Å; R391-L395 PolarHBondContact O-N 3.04Å
392R95.6Very high90.2Very high127 Ų12790.6 Ų90.648%0.47945%0.446SS..Hα-helixtrans-64.4-36.3177.7-74.4172.162-166.9-1.4113.2L366 A388 L389 T396L366-R392 HydrophobicContact CD1-CB 4.48Å; L366-R392 HydrophobicContact CD2-CB 4.47Å; A388-R392 WeakPolarHBondContact O-CG 3.42Å; A388-R392 PolarHBondContact O-N 2.69Å; A388-R392 VanDerWaalsContact O-N 3.12Å; L389-R392 CarbonylContact O-C 3.57Å; L389-R392 WeakPolarHBondContact O-CA 3.49Å; L389-R392 WeakPolarHBondContact O-CB 3.47Å; L389-R392 PolarHBondContact O-N 3.4Å; R392-T396 WeakPolarHBondContact O-CB 3.42Å; R392-T396 PolarHBondContact O-N 3.05Å; R392-T396 VanDerWaalsContact O-N 3.12Å; R392-T396 PolarHBondContact O-OG1 3.03Å
393V94.9Very high88.8Confident58 Ų5889 Ų8935%0.35245%0.449SS..Hα-helixtrans-65.4-55.9177.2170.50000110.2L366 L389 I390 R391 L395 T396 E397L366-V393 HydrophobicContact CD2-CG2 4.23Å; L366-V393 HydrophobicContact CG-CG2 4.38Å; L389-V393 WeakPolarHBondContact O-CG2 3.28Å; L389-V393 PolarHBondContact O-N 3.14Å; I390-V393 PolarHBondContact O-N 3.03Å; R391-V393 PolarHBondContact O-N 2.96Å; V393-L395 VanDerWaalsContact C-N 3.34Å; V393-L395 PolarHBondContact O-N 3.13Å; V393-T396 WeakPolarHBondContact O-CA 3.43Å; V393-T396 WeakPolarHBondContact O-CB 3.37Å; V393-T396 PolarHBondContact O-N 3.43Å; V393-E397 PolarHBondContact O-N 3.4Å
394H93.3Very high87.8Confident103 Ų10383.9 Ų83.948%0.47742%0.423SS..Hα-helixtrans-57.5-44.5178-67.799.6000112.2I390 T396 E397 D398I390-H394 PolarHBondContact O-N 2.8Å; I390-H394 PolarHBondContact O-ND1 3.4Å; H394-T396 PolarHBondContact O-N 3.12Å; H394-E397 WeakPolarHBondContact O-CB 3.47Å; H394-E397 PolarHBondContact O-N 2.9Å; H394-E397 VanDerWaalsContact O-N 3.15Å; H394-D398 PolarHBondContact O-N 3.26Å
395L91.5Very high87Confident105 Ų10583.1 Ų83.155%0.5542%0.423SS..Hα-helixtrans-61.5-26.1175.5-74.3171.2000113.6R391 V393 Q399R391-L395 WeakPolarHBondContact O-CB 3.38Å; R391-L395 VanDerWaalsContact O-CG 3.25Å; R391-L395 WeakPolarHBondContact O-CG 3.48Å; R391-L395 PolarHBondContact O-N 3.04Å; V393-L395 VanDerWaalsContact C-N 3.34Å; V393-L395 PolarHBondContact O-N 3.13Å; L395-Q399 VanDerWaalsContact O-CG 3.28Å; L395-Q399 WeakPolarHBondContact O-CG 3.31Å; L395-Q399 PolarHBondContact O-NE2 2.95Å
396T90.4Very high86.5Confident31 Ų3183.7 Ų83.719%0.1943%0.43CS..Hα-helixtrans-83-37.3175.8-54.90000111T363 L366 R392 V393 H394 Q399 W400T363-T396 HydrophobicContact CG2-CG2 4.24Å; L366-T396 HydrophobicContact CD2-CG2 4.4Å; L366-T396 WeakPolarHBondContact CD2-OG1 3.44Å; R392-T396 WeakPolarHBondContact O-CB 3.42Å; R392-T396 PolarHBondContact O-N 3.05Å; R392-T396 VanDerWaalsContact O-N 3.12Å; R392-T396 PolarHBondContact O-OG1 3.03Å; V393-T396 WeakPolarHBondContact O-CA 3.43Å; V393-T396 WeakPolarHBondContact O-CB 3.37Å; V393-T396 PolarHBondContact O-N 3.43Å; H394-T396 PolarHBondContact O-N 3.12Å; T396-Q399 WeakPolarHBondContact O-CB 3.37Å; T396-Q399 PolarHBondContact O-N 3.35Å; T396-W400 PolarHBondContact O-N 3.47Å
397E89.4Confident86Confident125 Ų12588.6 Ų88.658%0.58446%0.461SS*.Hα-helixtrans-63.4-50.5174.4-176.3174.5-162.600111.9V393 H394 Q399 W400V393-E397 PolarHBondContact O-N 3.4Å; H394-E397 WeakPolarHBondContact O-CB 3.47Å; H394-E397 PolarHBondContact O-N 2.9Å; H394-E397 VanDerWaalsContact O-N 3.15Å; E397-Q399 PolarHBondContact O-N 3.41Å; E397-W400 WeakPolarHBondContact O-CB 3.29Å; E397-W400 PolarHBondContact O-N 2.9Å
398D87.5Confident85.6Confident123 Ų12392 Ų9266%0.65847%0.467SS*.Hα-helixtrans-53.5-39.1174.9-80.1-34.9000111.7H394 W400 G401H394-D398 PolarHBondContact O-N 3.26Å; D398-W400 VanDerWaalsContact C-N 3.31Å; D398-W400 PolarHBondContact O-N 3.01Å; D398-G401 WeakPolarHBondContact O-CA 3.45Å; D398-G401 PolarHBondContact O-N 3.31Å
399Q85.3Confident85.4Confident121 Ų12192.8 Ų92.857%0.56546%0.464SS*.Hα-helixtrans-65.4-29.2177.2-78.8174.670.200113.1K359 L395 T396 E397 G401 T404K359-Q399 WeakPolarHBondContact CE-O 3.49Å; K359-Q399 PolarHBondContact NZ-O 3.29Å; L395-Q399 VanDerWaalsContact O-CG 3.28Å; L395-Q399 WeakPolarHBondContact O-CG 3.31Å; L395-Q399 PolarHBondContact O-NE2 2.95Å; T396-Q399 WeakPolarHBondContact O-CB 3.37Å; T396-Q399 PolarHBondContact O-N 3.35Å; E397-Q399 PolarHBondContact O-N 3.41Å; Q399-G401 PolarHBondContact O-N 2.75Å; Q399-T404 PolarHBondContact O-OG1 3.19Å
400W84Confident85Confident59 Ų5996 Ų9622%0.22348%0.484CS..Hα-helixtrans-71.1-9.6172.3-76.7102.8000113.4K359 L360 T363 T396 E397 D398 T404 L405K359-W400 HydrophobicContact CB-CH2 4.09Å; K359-W400 HydrophobicContact CB-CZ2 4.01Å; K359-W400 HydrophobicContact CD-CD2 4.21Å; K359-W400 HydrophobicContact CD-CE3 4.27Å; K359-W400 HydrophobicContact CD-CH2 4.13Å; K359-W400 HydrophobicContact CD-CZ2 4.07Å; K359-W400 HydrophobicContact CD-CZ3 4.23Å; K359-W400 HydrophobicContact CG-CH2 4.05Å; K359-W400 HydrophobicContact CG-CZ2 3.65Å; L360-W400 HydrophobicContact CB-CH2 4.19Å; L360-W400 HydrophobicContact CB-CZ2 4.39Å; T363-W400 PolarHBondContact OG1-NE1 2.92Å; T396-W400 PolarHBondContact O-N 3.47Å; E397-W400 WeakPolarHBondContact O-CB 3.29Å; E397-W400 PolarHBondContact O-N 2.9Å; D398-W400 VanDerWaalsContact C-N 3.31Å; D398-W400 PolarHBondContact O-N 3.01Å; W400-T404 HydrophobicContact CE3-CG2 3.62Å; W400-T404 HydrophobicContact CZ3-CG2 3.82Å; W400-L405 HydrophobicContact CE3-CD2 4.16Å; W400-L405 HydrophobicContact CE3-CG 4.46Å; W400-L405 HydrophobicContact CZ3-CD2 3.89Å
401G72.3Confident84.6Confident36 Ų3697.2 Ų97.237%0.37150%0.496SS..SBendtrans-54.5177178.700000116.3D398 Q399 G403 T404D398-G401 WeakPolarHBondContact O-CA 3.45Å; D398-G401 PolarHBondContact O-N 3.31Å; Q399-G401 PolarHBondContact O-N 2.75Å; G401-G403 PolarHBondContact O-N 3.27Å; G401-T404 PolarHBondContact O-N 2.92Å; G401-T404 PolarHBondContact O-OG1 3.48Å
402K61.6Low84.2Confident225 Ų22595.6 Ų95.698%0.97850%0.497SS*.THydrogen-bonded Turntrans-30.6113.9-167.5-67.4-178.1179.2178.40114.2
403G66.3Low83.9Confident34 Ų3493.9 Ų93.935%0.35149%0.494SS..THydrogen-bonded Turntrans105.3-7.9172.600000116G401 T406G401-G403 PolarHBondContact O-N 3.27Å; G403-T406 WeakPolarHBondContact CA-OG1 3.26Å; G403-T406 PolarHBondContact O-OG1 3.38Å
404T72.9Confident83.2Confident14 Ų1497.9 Ų97.99%0.08651%0.513CS..SBendtrans-67.8-46.5173-62.70000111.7Q352 K359 Q399 W400 G401Q352-T404 PolarHBondContact NE2-O 3.28Å; K359-T404 HydrophobicContact CD-CG2 4.1Å; K359-T404 PolarHBondContact NZ-OG1 2.82Å; Q399-T404 PolarHBondContact O-OG1 3.19Å; W400-T404 HydrophobicContact CE3-CG2 3.62Å; W400-T404 HydrophobicContact CZ3-CG2 3.82Å; G401-T404 PolarHBondContact O-N 2.92Å; G401-T404 PolarHBondContact O-OG1 3.48Å
405L78.1Confident82.9Confident136 Ų13697.7 Ų97.771%0.71252%0.515SS*.SBendtrans-952.3-171.6-62.4177.1000114.8W400W400-L405 HydrophobicContact CE3-CD2 4.16Å; W400-L405 HydrophobicContact CE3-CG 4.46Å; W400-L405 HydrophobicContact CZ3-CD2 3.89Å
406T83.1Confident82.6Confident80 Ų8098.8 Ų98.849%0.49153%0.532SS..SBendtrans-88.813317749.50000110.9Q352 G403 R408Q352-T406 PolarHBondContact NE2-O 2.81Å; G403-T406 WeakPolarHBondContact CA-OG1 3.26Å; G403-T406 PolarHBondContact O-OG1 3.38Å; T406-R408 PolarHBondContact O-N 2.78Å
407P84.1Confident82.6Confident116 Ų116103.4 Ų103.475%0.75356%0.555SS**  trans-56.3132.7174-24.534.2000111.8
408R85.9Confident82.6Confident159 Ų159102.4 Ų102.460%0.655%0.553SS**SBendtrans-90.3-2.6180-69.1177.4-179.5-166.7-1114.7V348 T406V348-R408 HydrophobicContact CG1-CB 4.2Å; T406-R408 PolarHBondContact O-N 2.78Å
409M90.1Very high82.7Confident61 Ų61100.8 Ų100.830%0.354%0.544SS..SBendtrans-150.5147.9-175.9-154.763.5-179.400111.5K345 V348 V349K345-M409 HydrophobicContact CB-CG 4.33Å; K345-M409 HydrophobicContact CD-CE 4.39Å; K345-M409 HydrophobicContact CG-CE 3.62Å; K345-M409 HydrophobicContact CG-CG 3.81Å; V348-M409 HydrophobicContact CG1-CB 4.16Å; V349-M409 HydrophobicContact CG2-CB 4.35Å
410T87.3Confident82.9Confident77 Ų7798.4 Ų98.447%0.47254%0.541SS..  trans-83.6152.9173.353.80000111.9K345 D412K345-T410 PolarHBondContact NZ-O 3.26Å; K345-T410 PolarHBondContact NZ-OG1 3.23Å; K345-T410 VanDerWaalsContact NZ-OG1 3.08Å; T410-D412 VanDerWaalsContact C-N 3.33Å
411T87.3Confident83.3Confident117 Ų11799 Ų9972%0.71855%0.553SS**SBendtrans-70.8-29.4172.139.30000113.2
412D88.1Confident84.1Confident100 Ų100101.5 Ų101.554%0.53556%0.557SS.*SBendtrans-87154.8-161.6-40.1-49000111.1K345 T410K345-D412 WeakPolarHBondContact CE-O 3.38Å; K345-D412 PolarHBondContact NZ-O 2.93Å; T410-D412 VanDerWaalsContact C-N 3.33Å
413F87.9Confident85.4Confident91 Ų9194.5 Ų94.540%0.39953%0.53SS..  trans-105.4105.7-178-76-102.7000110.2V338 E341 H342 K345 L415V338-F413 HydrophobicContact CG1-CD1 4.46Å; V338-F413 HydrophobicContact CG1-CE1 4.31Å; E341-F413 HydrophobicContact CB-CD1 4.46Å; E341-F413 HydrophobicContact CB-CE1 4.22Å; E341-F413 HydrophobicContact CG-CD1 4.1Å; E341-F413 HydrophobicContact CG-CE1 4.1Å; H342-F413 HydrophobicContact CB-CE1 4.01Å; H342-F413 HydrophobicContact CB-CZ 3.84Å; K345-F413 HydrophobicContact CD-CZ 4.43Å; F413-L415 HydrophobicContact CD1-CD1 4.33Å; F413-L415 PolarHBondContact O-N 3.47Å
414D80.8Confident86.4Confident142 Ų14298.5 Ų98.576%0.75954%0.54SS*.  trans-75.454178-57.2-53.9000111.9
415L86.3Confident87.1Confident99 Ų99101 Ų10152%0.51856%0.558SS.*  trans-131.395.4-173.8-65.8178000110.9V338 F413V338-L415 HydrophobicContact CG2-CD1 4.16Å; F413-L415 HydrophobicContact CD1-CD1 4.33Å; F413-L415 PolarHBondContact O-N 3.47Å
416S85.6Confident87.6Confident129 Ų12998.5 Ų98.590%0.90254%0.544SS*.  trans-89.6142.5171550000111.8
417L90.4Very high87.7Confident128 Ų128102.4 Ų102.467%0.6756%0.557SS**  trans-113.8113.4170.6176.163.7000109L334L334-L417 HydrophobicContact CD1-CD1 3.97Å; L334-L417 HydrophobicContact CD1-CD2 4.27Å
418D89.4Confident87.6Confident104 Ų104103.1 Ų103.156%0.55655%0.55SS*.  trans-82.4130.3163.3178.326.5000109.7S420 P421D418-S420 VanDerWaalsContact OD1-CB 3.29Å; D418-S420 WeakPolarHBondContact OD1-CB 3.48Å; D418-S420 PolarHBondContact OD1-N 3.35Å; D418-S420 PolarHBondContact OD1-OG 2.92Å; D418-P421 VanDerWaalsContact OD2-CD 3.23Å; D418-P421 WeakPolarHBondContact OD2-CD 3.5Å
419N91Very high87.6Confident88 Ų88101.2 Ų101.247%0.47155%0.551SS.*  trans-117.9-5.7175.464.3-10.9000112.8L422 L423N419-L422 PolarHBondContact O-N 3.37Å; N419-L422 VanDerWaalsContact O-N 3.15Å; N419-L423 PolarHBondContact O-N 3.34Å
420S89.6Confident87.2Confident71 Ų71104.8 Ų104.850%0.49757%0.571SS.*Hα-helixtrans-58.2-46-171.1-34.10000113.1D418 L422 L423 Q424D418-S420 VanDerWaalsContact OD1-CB 3.29Å; D418-S420 WeakPolarHBondContact OD1-CB 3.48Å; D418-S420 PolarHBondContact OD1-N 3.35Å; D418-S420 PolarHBondContact OD1-OG 2.92Å; S420-L422 VanDerWaalsContact C-N 3.31Å; S420-L422 PolarHBondContact O-N 2.96Å; S420-L423 PolarHBondContact O-N 2.93Å; S420-Q424 WeakPolarHBondContact O-CB 3.46Å; S420-Q424 PolarHBondContact O-N 3.48Å
421P91.1Very high86.8Confident73 Ų73107 Ų10747%0.47458%0.575SS.*Hα-helixtrans-65.2-34178.9-21.934.3000113.1D418 S425D418-P421 VanDerWaalsContact OD2-CD 3.23Å; D418-P421 WeakPolarHBondContact OD2-CD 3.5Å; P421-S425 PolarHBondContact O-N 2.74Å; P421-S425 PolarHBondContact O-OG 3.17Å
422L89.9Confident85.8Confident88 Ų88107.9 Ų107.946%0.46158%0.579SS.*Hα-helixtrans-72.5-42.4178.5178.162.3000111.2L327 N419 S420 Q424 S425 I426L327-L422 HydrophobicContact CD1-CD2 3.86Å; N419-L422 PolarHBondContact O-N 3.37Å; N419-L422 VanDerWaalsContact O-N 3.15Å; S420-L422 VanDerWaalsContact C-N 3.31Å; S420-L422 PolarHBondContact O-N 2.96Å; L422-Q424 VanDerWaalsContact C-N 3.31Å; L422-Q424 PolarHBondContact O-N 3.24Å; L422-S425 PolarHBondContact O-N 3.49Å; L422-I426 HydrophobicContact CD1-CD1 4.25Å; L422-I426 HydrophobicContact CD1-CG1 4.47Å; L422-I426 HydrophobicContact CG-CD1 4.02Å; L422-I426 WeakPolarHBondContact O-CG1 3.45Å; L422-I426 PolarHBondContact O-N 3.39Å
423L88.2Confident83.7Confident78 Ų78110.1 Ų110.141%0.40859%0.586SS.*Hα-helixtrans-60.2-43.4172.7-70.3173.4000110.7N419 S420 S425 I426 H427N419-L423 PolarHBondContact O-N 3.34Å; S420-L423 PolarHBondContact O-N 2.93Å; L423-S425 VanDerWaalsContact C-N 3.34Å; L423-S425 PolarHBondContact O-N 3.08Å; L423-I426 PolarHBondContact O-N 3.17Å; L423-I426 VanDerWaalsContact O-N 3.16Å; L423-H427 PolarHBondContact O-CD2 2.99Å; L423-H427 PolarHBondContact O-N 3.13Å
424Q86.8Confident81.6Confident118 Ų118110.8 Ų110.855%0.55160%0.598SS**Hα-helixtrans-60.6-40.4175.2-173.2178.611.100112.5S420 L422 Q428S420-Q424 WeakPolarHBondContact O-CB 3.46Å; S420-Q424 PolarHBondContact O-N 3.48Å; L422-Q424 VanDerWaalsContact C-N 3.31Å; L422-Q424 PolarHBondContact O-N 3.24Å; Q424-Q428 VanDerWaalsContact O-CG 3.26Å; Q424-Q428 WeakPolarHBondContact O-CG 3.4Å; Q424-Q428 PolarHBondContact O-N 3.02Å
425S88.1Confident79.4Confident67 Ų67111.6 Ų111.647%0.46960%0.595SS.*Hα-helixtrans-65.8-38.4173.4-640000112.7P421 L422 L423 Q428 L429P421-S425 PolarHBondContact O-N 2.74Å; P421-S425 PolarHBondContact O-OG 3.17Å; L422-S425 PolarHBondContact O-N 3.49Å; L423-S425 VanDerWaalsContact C-N 3.34Å; L423-S425 PolarHBondContact O-N 3.08Å; S425-Q428 CarbonylContact O-C 3.53Å; S425-Q428 PolarHBondContact O-N 3.14Å; S425-Q428 VanDerWaalsContact O-N 3.11Å; S425-L429 PolarHBondContact O-N 2.77Å
426I89.5Confident77Confident83 Ų83112.3 Ų112.343%0.42662%0.615SS.*Hα-helixtrans-66.1-41.4177.2-69.9165.6000111L422 L423 Q428 L429L422-I426 HydrophobicContact CD1-CD1 4.25Å; L422-I426 HydrophobicContact CD1-CG1 4.47Å; L422-I426 HydrophobicContact CG-CD1 4.02Å; L422-I426 WeakPolarHBondContact O-CG1 3.45Å; L422-I426 PolarHBondContact O-N 3.39Å; L423-I426 PolarHBondContact O-N 3.17Å; L423-I426 VanDerWaalsContact O-N 3.16Å; I426-Q428 PolarHBondContact O-N 2.97Å; I426-Q428 VanDerWaalsContact O-N 3.17Å; I426-L429 WeakPolarHBondContact O-CB 3.47Å; I426-L429 PolarHBondContact O-N 3.48Å; I426-L429 VanDerWaalsContact O-N 3.13Å
427H83.5Confident74.7Confident162 Ų162110.1 Ų110.175%0.7560%0.599SS**THydrogen-bonded Turntrans-67.6-7.2172.8-71-63.1000114.2L423L423-H427 PolarHBondContact O-CD2 2.99Å; L423-H427 PolarHBondContact O-N 3.13Å
428Q83.8Confident72.7Confident131 Ų131107.4 Ų107.461%0.61259%0.591SS**THydrogen-bonded Turntrans-105.75174.8-69.8170.93.400112.7Q424 S425 I426 D430Q424-Q428 VanDerWaalsContact O-CG 3.26Å; Q424-Q428 WeakPolarHBondContact O-CG 3.4Å; Q424-Q428 PolarHBondContact O-N 3.02Å; S425-Q428 CarbonylContact O-C 3.53Å; S425-Q428 PolarHBondContact O-N 3.14Å; S425-Q428 VanDerWaalsContact O-N 3.11Å; I426-Q428 PolarHBondContact O-N 2.97Å; I426-Q428 VanDerWaalsContact O-N 3.17Å; Q428-D430 PolarHBondContact O-N 3.42Å
429L85.6Confident71.7Confident119 Ų119105.1 Ų105.162%0.62358%0.582SS**  trans-77.5101.7170.2-64175.7000109.3L323 S425 I426L323-L429 HydrophobicContact CD1-CD1 4.14Å; S425-L429 PolarHBondContact O-N 2.77Å; I426-L429 WeakPolarHBondContact O-CB 3.47Å; I426-L429 PolarHBondContact O-N 3.48Å; I426-L429 VanDerWaalsContact O-N 3.13Å
430D82.1Confident70.9Confident135 Ų135103.9 Ų103.972%0.72258%0.578SS**  trans-135.2158.6178.7-17317.7000110.1Q428 V432Q428-D430 PolarHBondContact O-N 3.42Å; D430-V432 PolarHBondContact O-N 3.22Å
431F76.9Confident70.5Confident125 Ų125100.7 Ų100.755%0.54856%0.555SS.*  trans-69.6100.2173.1-66.7-75.3000109.8F312 L316 Q433F312-F431 HydrophobicContact CE1-CE1 4.05Å; F312-F431 HydrophobicContact CZ-CD1 4.19Å; F312-F431 AromaticContact CZ-CE1 3.91Å; F312-F431 HydrophobicContact CZ-CE1 3.91Å; L316-F431 HydrophobicContact CD1-CE1 4.01Å; L316-F431 HydrophobicContact CD1-CZ 4.32Å; L316-F431 HydrophobicContact CD2-CE1 3.92Å; L316-F431 HydrophobicContact CD2-CZ 3.66Å; F431-Q433 VanDerWaalsContact C-N 3.27Å; F431-Q433 PolarHBondContact O-N 2.92Å
432V67.9Low70.2Confident134 Ų13498.9 Ų98.981%0.81255%0.546SS*.  trans-62.591.4171.3-1770000109D430 V434D430-V432 PolarHBondContact O-N 3.22Å; V432-V434 PolarHBondContact O-N 2.91Å
433Q43.8Very low70.1Confident147 Ų14796.9 Ų96.969%0.68754%0.538SS*.  trans-62107.6-177.3-174.2-176.974.300109.2F431 K435F431-Q433 VanDerWaalsContact C-N 3.27Å; F431-Q433 PolarHBondContact O-N 2.92Å; Q433-K435 PolarHBondContact O-N 3.37Å
434V43.7Very low70.2Confident105 Ų10593.3 Ų93.364%0.63652%0.519SS*.  trans-69.582.8174.8-1740000108.3V432 P439V432-V434 PolarHBondContact O-N 2.91Å; V434-P439 HydrophobicContact CG1-CG 4.45Å
435K34.4Very low70.3Confident160 Ų16091.5 Ų91.570%0.69651%0.513SS*.  trans-50.7150.3172.3-95.3178.8174.9170.90110Q433 S437Q433-K435 PolarHBondContact O-N 3.37Å; K435-S437 PolarHBondContact O-N 3.29Å
436A36.3Very low70.4Confident114 Ų11489.3 Ų89.394%0.94250%0.495SS*.SBendtrans-70.142.9-160.700000117.2
437S37.2Very low70.3Confident82 Ų8286.7 Ų86.757%0.57348%0.481SS*.SBendtrans-101.4103.5149.952.40000107.4K435K435-S437 PolarHBondContact O-N 3.29Å
438S48.1Very low70.4Confident71 Ų7184.6 Ų84.650%0.49748%0.475SS..  trans-45.3127.7-179168.40000110.9T519S438-T519 WeakPolarHBondContact CB-OG1 3.27Å; S438-T519 WeakPolarHBondContact O-CB 3.4Å; S438-T519 VanDerWaalsContact O-CG2 3.24Å; S438-T519 WeakPolarHBondContact O-CG2 3.48Å; S438-T519 PolarHBondContact O-OG1 2.96Å
439P68.3Low70.4Confident56 Ų5687.8 Ų87.836%0.36449%0.49SS..PPolyproline II helixtrans-56.5145.4-170.823-34.2000111.9V434 V470 N517V434-P439 HydrophobicContact CG1-CG 4.45Å; P439-V470 HydrophobicContact CB-CG2 4.01Å; P439-V470 HydrophobicContact CG-CG1 4.32Å; P439-V470 HydrophobicContact CG-CG2 3.58Å; P439-V470 WeakPolarHBondContact O-CG1 3.47Å; P439-N517 PolarHBondContact O-ND2 3.04Å
440V74.4Confident70.4Confident63 Ų6386.2 Ų86.238%0.38248%0.479SS..PPolyproline II helixtrans-67.1152.5168.5-71.10000109.8
441P81.8Confident70.6Confident3 Ų380.8 Ų80.82%0.01945%0.452CS..PPolyproline II helixtrans-64155.5-176.1-19.333000111.9V470 A472 A515 N517 S522P441-V470 HydrophobicContact CB-CG1 4.48Å; P441-A472 HydrophobicContact CB-CB 4.15Å; P441-A472 HydrophobicContact CG-CB 4.09Å; P441-A515 HydrophobicContact CB-CB 3.8Å; P441-A515 HydrophobicContact CG-CB 4.26Å; P441-N517 HydrophobicContact CG-CB 3.86Å; P441-S522 WeakPolarHBondContact O-CB 3.33Å
442A83.4Confident71.1Confident35 Ų3578 Ų7829%0.28945%0.447SS..PPolyproline II helixtrans-64.4146.5172.200000111.1P465 S468A442-P465 HydrophobicContact CB-CG 3.91Å; A442-S468 WeakPolarHBondContact CB-OG 3.46Å
443T88.6Confident72Confident46 Ų4674.2 Ų74.228%0.28243%0.425SS..PPolyproline II helixtrans-56.9126.4179.2-69.50000111.5P465 P523 Y524T443-P465 WeakPolarHBondContact O-CD 3.23Å; T443-P465 VanDerWaalsContact O-CG 3.28Å; T443-P465 WeakPolarHBondContact O-CG 3.5Å; T443-P523 WeakPolarHBondContact CG2-O 3.49Å; T443-P523 WeakPolarHBondContact OG1-CD 3.42Å; T443-P523 PolarHBondContact OG1-O 3.2Å; T443-Y524 WeakPolarHBondContact CG2-O 3.29Å
444P89.9Confident73.8Confident3 Ų373.2 Ų73.22%0.01942%0.42CS..PPolyproline II helixtrans-68.7150.3179.826.5-33.2000112.7Y475 V513 A515 S525P444-Y475 HydrophobicContact CB-CD1 4.27Å; P444-Y475 HydrophobicContact CB-CE1 4.22Å; P444-Y475 HydrophobicContact CG-CD1 4.37Å; P444-V513 HydrophobicContact CB-CG1 4.38Å; P444-V513 HydrophobicContact CG-CB 4.41Å; P444-V513 HydrophobicContact CG-CG1 3.99Å; P444-V513 HydrophobicContact CG-CG2 3.99Å; P444-V513 WeakPolarHBondContact CG-O 3.43Å; P444-A515 HydrophobicContact CG-CB 4.28Å; P444-S525 WeakPolarHBondContact O-CB 3.33Å
445I89.3Confident75.9Confident81 Ų8171.6 Ų71.642%0.41541%0.407SS..EExtended strand (participates in β ladder)trans-108.2116.3-177.5-54.3176.8000108.5W462 K463 P465I445-W462 CarbonylContact O-C 3.59Å; I445-W462 WeakPolarHBondContact O-CA 3.48Å; I445-K463 PolarHBondContact N-O 3.17Å; I445-K463 PolarHBondContact O-N 3.48Å; I445-P465 HydrophobicContact CD1-CB 4.11Å; I445-P465 HydrophobicContact CD1-CG 4.03Å; I445-P465 HydrophobicContact CG1-CG 4.15Å
446L89.9Confident78.4Confident20 Ų2067 Ų6711%0.10539%0.39CS..EExtended strand (participates in β ladder)trans-65.6133.5173-74.3161.9000110.9L448 L460 S461 W462 V513 S525 L528L446-L448 PolarHBondContact O-N 3Å; L446-L460 HydrophobicContact CD2-CD2 4.11Å; L446-S461 CarbonylContact C-O 3.56Å; L446-S461 WeakPolarHBondContact CA-O 3.02Å; L446-W462 HydrophobicContact CD2-CB 4.21Å; L446-W462 HydrophobicContact CD2-CE3 4.42Å; L446-V513 HydrophobicContact CD1-CG1 4.42Å; L446-V513 HydrophobicContact CD2-CG1 3.79Å; L446-V513 HydrophobicContact CG-CG1 3.87Å; L446-S525 WeakPolarHBondContact CD1-OG 3.4Å; L446-L528 HydrophobicContact CD1-CB 3.76Å; L446-L528 HydrophobicContact CD1-CD2 4.37Å
447Q87.9Confident80.9Confident28 Ų2862.3 Ų62.313%0.13135%0.351CS..  trans-93.583.9-178.9-71.4176.1-12100109.4E449 E450 C451 S461 K463Q447-E449 PolarHBondContact O-N 3.31Å; Q447-E450 HydrophobicContact CB-CB 4.15Å; Q447-E450 HydrophobicContact CB-CG 4.44Å; Q447-E450 PolarHBondContact NE2-OE1 2.7Å; Q447-E450 PolarHBondContact NE2-OE2 3.48Å; Q447-E450 WeakPolarHBondContact O-CA 3.43Å; Q447-E450 PolarHBondContact O-N 3.38Å; Q447-C451 PolarHBondContact O-N 2.96Å; Q447-C451 VanDerWaalsContact O-N 3.12Å; Q447-C451 PolarHBondContact O-SG 3.38Å; Q447-S461 PolarHBondContact N-O 3.23Å; Q447-K463 VanDerWaalsContact CD-NZ 3.34Å; Q447-K463 HydrophobicContact CG-CD 4.08Å; Q447-K463 HydrophobicContact CG-CG 4.04Å; Q447-K463 VanDerWaalsContact OE1-CD 3.27Å
448L86Confident83.4Confident119 Ų11958.4 Ų58.462%0.62332%0.323SS*.THydrogen-bonded Turntrans-54.2-29.2-173.3-56.8-177000114.4L446 E450 L528L446-L448 PolarHBondContact O-N 3Å; L448-E450 VanDerWaalsContact C-N 3.3Å; L448-L528 HydrophobicContact CD2-CD1 3.69Å; L448-L528 HydrophobicContact CD2-CD2 3.87Å; L448-L528 HydrophobicContact CD2-CG 4.33Å
449E83Confident85.4Confident198 Ų19856.4 Ų56.493%0.92531%0.308SS*.THydrogen-bonded Turntrans-75.6-15.6178.1-65.2166-164.200113.5Q447Q447-E449 PolarHBondContact O-N 3.31Å
450E84.5Confident86.6Confident85 Ų8553.7 Ų53.740%0.39729%0.291SS..THydrogen-bonded Turntrans-112.4-7.6179.8-69.1161-140.900112.7Q447 L448 S461Q447-E450 HydrophobicContact CB-CB 4.15Å; Q447-E450 HydrophobicContact CB-CG 4.44Å; Q447-E450 PolarHBondContact NE2-OE1 2.7Å; Q447-E450 PolarHBondContact NE2-OE2 3.48Å; Q447-E450 WeakPolarHBondContact O-CA 3.43Å; Q447-E450 PolarHBondContact O-N 3.38Å; L448-E450 VanDerWaalsContact C-N 3.3Å; E450-S461 WeakPolarHBondContact OE2-CB 3.25Å; E450-S461 PolarHBondContact OE2-OG 3.14Å
451C88.1Confident87.5Confident21 Ų2150.8 Ų50.814%0.14227%0.273CS..  trans-84.3133.5173.1-62.60000110.1Q447 T459 L460 S461 L528Q447-C451 PolarHBondContact O-N 2.96Å; Q447-C451 VanDerWaalsContact O-N 3.12Å; Q447-C451 PolarHBondContact O-SG 3.38Å; C451-T459 CarbonylContact C-O 3.51Å; C451-T459 VanDerWaalsContact CA-O 3.27Å; C451-T459 WeakPolarHBondContact CA-O 3.01Å; C451-L460 HydrophobicContact CB-CD2 4.37Å; C451-S461 PolarHBondContact SG-N 2.98Å; C451-S461 VanDerWaalsContact SG-N 3.43Å; C451-L528 HydrophobicContact CB-CD2 4Å
452C85.7Confident88.1Confident68 Ų6850.7 Ų50.746%0.45927%0.272SS..EExtended strand (participates in β ladder)trans-147.6157.7177.564.60000112.4A458 T459C452-A458 CarbonylContact O-C 3.59Å; C452-T459 PolarHBondContact N-O 2.91Å; C452-T459 PolarHBondContact O-N 3.37Å
453T86.8Confident88.5Confident54 Ų5453.8 Ų53.833%0.33128%0.279SS..EExtended strand (participates in β ladder)trans-115.6147.1168.248.20000110.1S457 A458 L530 Q531T453-S457 WeakPolarHBondContact CA-O 3.38Å; T453-A458 HydrophobicContact CG2-CB 4.01Å; T453-L530 HydrophobicContact CG2-CB 3.91Å; T453-L530 HydrophobicContact CG2-CD1 4.38Å; T453-L530 HydrophobicContact CG2-CD2 4.39Å; T453-L530 HydrophobicContact CG2-CG 4.48Å; T453-Q531 VanDerWaalsContact CB-O 3.27Å; T453-Q531 WeakPolarHBondContact CB-O 3.37Å; T453-Q531 WeakPolarHBondContact CG2-O 3.4Å; T453-Q531 PolarHBondContact OG1-O 3.16Å
454H83.2Confident88.2Confident126 Ų12654.2 Ų54.258%0.58328%0.278SS*.EExtended strand (participates in β ladder)trans-152.6122.2179.4-179-79.1000109N456 S457H454-N456 PolarHBondContact O-N 2.99Å; H454-N456 VanDerWaalsContact O-N 3.15Å; H454-S457 PolarHBondContact N-O 3.23Å; H454-S457 PolarHBondContact O-N 2.92Å; H454-S457 PolarHBondContact O-OG 3.42Å
455N86.4Confident87.8Confident71 Ų7155.7 Ų55.738%0.3829%0.287SS..THydrogen-bonded Turntrans50.4-119.6-175.2-61.46.9000111.2F505 T532 S533N455-F505 HydrophobicContact CB-CE1 4.1Å; N455-T532 WeakPolarHBondContact O-CB 3.48Å; N455-S533 VanDerWaalsContact CA-OG 3.29Å; N455-S533 WeakPolarHBondContact CA-OG 3.47Å; N455-S533 PolarHBondContact O-N 2.96Å
456N87.3Confident86.6Confident63 Ų6358 Ų5834%0.33731%0.308SS..THydrogen-bonded Turntrans-9723.4178.961.6-3000113.5H454 G502 L503 F505H454-N456 PolarHBondContact O-N 2.99Å; H454-N456 VanDerWaalsContact O-N 3.15Å; N456-G502 PolarHBondContact O-N 3Å; N456-L503 VanDerWaalsContact CB-O 3.3Å; N456-L503 WeakPolarHBondContact CB-O 3.19Å; N456-L503 WeakPolarHBondContact O-CB 3.36Å; N456-L503 PolarHBondContact O-N 3.45Å; N456-F505 HydrophobicContact CB-CD1 4.33Å; N456-F505 HydrophobicContact CB-CE1 3.86Å; N456-F505 HydrophobicContact CB-CE2 4.26Å; N456-F505 HydrophobicContact CB-CZ 3.82Å
457S88.3Confident85Confident16 Ų1665 Ų6511%0.11235%0.345CS..EExtended strand (participates in β ladder)trans-135.7158.8177.3780000115.1T453 H454 V500 D501T453-S457 WeakPolarHBondContact CA-O 3.38Å; H454-S457 PolarHBondContact N-O 3.23Å; H454-S457 PolarHBondContact O-N 2.92Å; H454-S457 PolarHBondContact O-OG 3.42Å; S457-V500 WeakPolarHBondContact CA-O 3.27Å; S457-V500 WeakPolarHBondContact CB-O 3.34Å; S457-D501 WeakPolarHBondContact CB-OD1 3.2Å; S457-D501 PolarHBondContact OG-OD1 2.98Å
458A90.1Very high84.1Confident0 Ų065 Ų650%035%0.348CS..EExtended strand (participates in β ladder)trans-131.7123.3179.900000110.4C452 T453 T499 V500 L503 L530C452-A458 CarbonylContact O-C 3.59Å; T453-A458 HydrophobicContact CG2-CB 4.01Å; A458-T499 CarbonylContact O-C 3.41Å; A458-T499 WeakPolarHBondContact O-CA 3.21Å; A458-V500 PolarHBondContact N-O 3.29Å; A458-V500 PolarHBondContact O-N 3.11Å; A458-L503 HydrophobicContact CB-CD1 3.7Å; A458-L530 HydrophobicContact CB-CD1 3.85Å
459T91Very high83.1Confident28 Ų2865.9 Ų65.917%0.17236%0.358CS..EExtended strand (participates in β ladder)trans-100130.6170.2-57.90000109.9C451 C452 M497 C498 T499C451-T459 CarbonylContact C-O 3.51Å; C451-T459 VanDerWaalsContact CA-O 3.27Å; C451-T459 WeakPolarHBondContact CA-O 3.01Å; C452-T459 PolarHBondContact N-O 2.91Å; C452-T459 PolarHBondContact O-N 3.37Å; T459-M497 HydrophobicContact CG2-CG 4.08Å; T459-M497 HydrophobicContact CG2-SD 4.28Å; T459-C498 WeakPolarHBondContact CA-O 3.36Å; T459-T499 WeakPolarHBondContact OG1-CG2 3.48Å; T459-T499 PolarHBondContact OG1-OG1 3Å
460L93.8Very high82.9Confident0 Ų057.4 Ų57.40%032%0.32CS..EExtended strand (participates in β ladder)trans-127.4132.3-174.1-79.9154.6000109.8L446 C451 W462 L477 L479 M497 C498 A511 L528 L530L446-L460 HydrophobicContact CD2-CD2 4.11Å; C451-L460 HydrophobicContact CB-CD2 4.37Å; L460-W462 HydrophobicContact CB-CE3 4.38Å; L460-W462 HydrophobicContact CB-CZ3 4.04Å; L460-W462 WeakPolarHBondContact O-CZ3 3.48Å; L460-L477 HydrophobicContact CB-CD2 4.31Å; L460-L477 HydrophobicContact CD1-CD1 4.14Å; L460-L477 HydrophobicContact CD1-CD2 3.86Å; L460-L479 HydrophobicContact CD1-CD1 4.01Å; L460-M497 CarbonylContact O-C 3.39Å; L460-M497 VanDerWaalsContact O-CA 3.24Å; L460-M497 WeakPolarHBondContact O-CA 3.42Å; L460-C498 PolarHBondContact N-O 3.48Å; L460-C498 PolarHBondContact O-N 3.21Å; L460-A511 HydrophobicContact CD1-CB 3.79Å; L460-A511 HydrophobicContact CD2-CB 4.07Å; L460-L528 HydrophobicContact CD2-CD2 3.74Å; L460-L530 HydrophobicContact CD1-CD1 4.04Å; L460-L530 HydrophobicContact CD2-CD1 4.06Å; L460-L530 HydrophobicContact CG-CD1 4.18Å
461S93Very high82.5Confident2 Ų257.9 Ų57.91%0.01433%0.33CS..EExtended strand (participates in β ladder)trans-123.3143.8178.7-177.70000111L446 Q447 E450 C451 T496L446-S461 CarbonylContact C-O 3.56Å; L446-S461 WeakPolarHBondContact CA-O 3.02Å; Q447-S461 PolarHBondContact N-O 3.23Å; E450-S461 WeakPolarHBondContact OE2-CB 3.25Å; E450-S461 PolarHBondContact OE2-OG 3.14Å; C451-S461 PolarHBondContact SG-N 2.98Å; C451-S461 VanDerWaalsContact SG-N 3.43Å; S461-T496 CarbonylContact C-O 3.55Å; S461-T496 WeakPolarHBondContact CA-O 3.43Å
462W94.6Very high82.4Confident0 Ų058 Ų580%033%0.333CS..EExtended strand (participates in β ladder)trans-153.7148.8-179.95984.1000113.6I445 L446 L460 Y475 L477 Y491 E495 T496 C498 V513I445-W462 CarbonylContact O-C 3.59Å; I445-W462 WeakPolarHBondContact O-CA 3.48Å; L446-W462 HydrophobicContact CD2-CB 4.21Å; L446-W462 HydrophobicContact CD2-CE3 4.42Å; L460-W462 HydrophobicContact CB-CE3 4.38Å; L460-W462 HydrophobicContact CB-CZ3 4.04Å; L460-W462 WeakPolarHBondContact O-CZ3 3.48Å; W462-Y475 AromaticContact CD1-CD1 3.8Å; W462-Y475 AromaticContact CD1-CG 3.87Å; W462-Y475 AromaticContact NE1-CD1 3.55Å; W462-Y475 AromaticContact NE1-CD2 3.29Å; W462-Y475 VanDerWaalsContact NE1-CD2 3.29Å; W462-Y475 AromaticContact NE1-CE2 3.86Å; W462-Y475 AromaticContact NE1-CG 3.12Å; W462-L477 HydrophobicContact CH2-CB 4.23Å; W462-L477 HydrophobicContact CH2-CD2 4.2Å; W462-L477 HydrophobicContact CZ3-CD1 4.31Å; W462-L477 HydrophobicContact CZ3-CD2 3.98Å; W462-Y491 HydrophobicContact CH2-CD1 4.04Å; W462-Y491 HydrophobicContact CH2-CE1 4.33Å; W462-Y491 HydrophobicContact CZ2-CD1 4.06Å; W462-Y491 HydrophobicContact CZ2-CE1 4.02Å; W462-E495 VanDerWaalsContact CZ2-O 3.31Å; W462-E495 WeakPolarHBondContact CZ2-O 3.34Å; W462-T496 PolarHBondContact N-O 3.4Å; W462-T496 WeakPolarHBondContact O-CB 3.5Å; W462-T496 VanDerWaalsContact O-CG2 3.24Å; W462-T496 WeakPolarHBondContact O-CG2 3.45Å; W462-C498 HydrophobicContact CH2-CB 3.7Å; W462-C498 HydrophobicContact CZ3-CB 4.12Å; W462-V513 HydrophobicContact CB-CG1 4.12Å; W462-V513 HydrophobicContact CD2-CG1 4.4Å; W462-V513 HydrophobicContact CD2-CG2 3.96Å; W462-V513 HydrophobicContact CG-CG1 4.16Å; W462-V513 HydrophobicContact CG-CG2 4.1Å; W462-V513 HydrophobicContact CZ2-CG2 4.48Å
463K90.2Very high82.6Confident101 Ų10157.3 Ų57.344%0.43933%0.325SS..EExtended strand (participates in β ladder)trans-129.4159.217655.2-170.4161.7-143.10113.3I445 Q447I445-K463 PolarHBondContact N-O 3.17Å; I445-K463 PolarHBondContact O-N 3.48Å; Q447-K463 VanDerWaalsContact CD-NZ 3.34Å; Q447-K463 HydrophobicContact CG-CD 4.08Å; Q447-K463 HydrophobicContact CG-CG 4.04Å; Q447-K463 VanDerWaalsContact OE1-CD 3.27Å
464Q83.8Confident82.7Confident55 Ų5554.8 Ų54.826%0.25731%0.309SS..  trans-66.1151.1166.2-59.8-160.8-94.400110.5S468 V470 Y475Q464-S468 PolarHBondContact NE2-OG 3.46Å; Q464-V470 PolarHBondContact NE2-O 2.84Å; Q464-Y475 HydrophobicContact CG-CE1 4.43Å; Q464-Y475 WeakPolarHBondContact CG-OH 3.35Å
465P80.6Confident83.3Confident33 Ų3349.6 Ų49.621%0.21429%0.285CS..  trans-56.8142.1169-25.335.2000112A442 T443 I445 L467 S468A442-P465 HydrophobicContact CB-CG 3.91Å; T443-P465 WeakPolarHBondContact O-CD 3.23Å; T443-P465 VanDerWaalsContact O-CG 3.28Å; T443-P465 WeakPolarHBondContact O-CG 3.5Å; I445-P465 HydrophobicContact CD1-CB 4.11Å; I445-P465 HydrophobicContact CD1-CG 4.03Å; I445-P465 HydrophobicContact CG1-CG 4.15Å; P465-L467 PolarHBondContact O-N 3.37Å; P465-S468 VanDerWaalsContact O-CB 3.26Å; P465-S468 WeakPolarHBondContact O-CB 3.24Å; P465-S468 PolarHBondContact O-N 3.22Å
466P63.6Low83.7Confident131 Ų13147 Ų4785%0.85127%0.271SS*.THydrogen-bonded Turntrans-60.1-14-176.5-2735.5000116.4
467L57.9Low84.1Confident166 Ų16644 Ų4487%0.86926%0.255SS*.THydrogen-bonded Turntrans-108.914.4178.9-60.9172.7000112.5P465 T469P465-L467 PolarHBondContact O-N 3.37Å; L467-T469 PolarHBondContact O-N 3.2Å
468S68.8Low84.4Confident28 Ų2843.7 Ų43.720%0.19625%0.251CS..  trans-75.593179.8-174.40000111.4A442 Q464 P465 V470A442-S468 WeakPolarHBondContact CB-OG 3.46Å; Q464-S468 PolarHBondContact NE2-OG 3.46Å; P465-S468 VanDerWaalsContact O-CB 3.26Å; P465-S468 WeakPolarHBondContact O-CB 3.24Å; P465-S468 PolarHBondContact O-N 3.22Å; S468-V470 PolarHBondContact O-N 2.98Å; S468-V470 PolarHBondContact OG-O 3.14Å; S468-V470 VanDerWaalsContact OG-O 3.09Å
469T64.8Low84.5Confident138 Ų13843.8 Ų43.885%0.84725%0.252SS*.  trans-66.1-9.6171.654.20000113.7L467L467-T469 PolarHBondContact O-N 3.2Å
470V77.8Confident84.5Confident20 Ų2043 Ų4312%0.12125%0.247CC..SBendtrans-101.5117.1-177.6-171.50000110.6P439 P441 Q464 S468P439-V470 HydrophobicContact CB-CG2 4.01Å; P439-V470 HydrophobicContact CG-CG1 4.32Å; P439-V470 HydrophobicContact CG-CG2 3.58Å; P439-V470 WeakPolarHBondContact O-CG1 3.47Å; P441-V470 HydrophobicContact CB-CG1 4.48Å; Q464-V470 PolarHBondContact NE2-O 2.84Å; S468-V470 PolarHBondContact O-N 2.98Å; S468-V470 PolarHBondContact OG-O 3.14Å; S468-V470 VanDerWaalsContact OG-O 3.09Å
471P77.7Confident84Confident94 Ų9445.8 Ų45.861%0.6126%0.262SS*.PPolyproline II helixtrans-73.2144174.130.2-34.1000111.3
472A85.3Confident83.4Confident25 Ų2546.1 Ų46.121%0.20727%0.265CS..PPolyproline II helixtrans-89.4138.2168.100000110.8P441 G474 Y475 A515 F516P441-A472 HydrophobicContact CB-CB 4.15Å; P441-A472 HydrophobicContact CG-CB 4.09Å; A472-G474 VanDerWaalsContact C-N 3.26Å; A472-Y475 HydrophobicContact CB-CE1 4.28Å; A472-A515 HydrophobicContact CB-CB 4.21Å; A472-F516 CarbonylContact C-O 3.56Å; A472-F516 WeakPolarHBondContact CA-O 3.33Å
473D89.3Confident82.6Confident52 Ų5253.4 Ų53.428%0.27830%0.304SS..SBendtrans-78.3-13.6164.6-70.7-71.9000111.4K494 F516 N517 K518D473-K494 WeakPolarHBondContact O-CE 3.46Å; D473-K494 WeakPolarHBondContact O-CG 3.32Å; D473-F516 HydrophobicContact CB-CD2 4.41Å; D473-F516 HydrophobicContact CB-CE2 4.25Å; D473-F516 PolarHBondContact N-O 2.79Å; D473-N517 VanDerWaalsContact OD2-CA 3.24Å; D473-N517 WeakPolarHBondContact OD2-CA 3.31Å; D473-N517 WeakPolarHBondContact OD2-CB 3.35Å; D473-K518 WeakPolarHBondContact OD2-CG 3.47Å; D473-K518 PolarHBondContact OD2-N 3.44Å
474G90.3Very high81.7Confident1 Ų151.1 Ų51.11%0.0131%0.31CS..EExtended strand (participates in β ladder)trans173.1-171.7171.200000113.8A472 G493 F516A472-G474 VanDerWaalsContact C-N 3.26Å; G474-G493 CarbonylContact C-O 3.58Å; G474-G493 VanDerWaalsContact CA-O 3.23Å; G474-G493 WeakPolarHBondContact CA-O 3.32Å; G474-F516 PolarHBondContact N-O 2.84Å; G474-F516 WeakPolarHBondContact O-CD1 3.36Å; G474-F516 PolarHBondContact O-N 3.2Å
475Y94.8Very high81.4Confident17 Ų1750.2 Ų50.27%0.06732%0.315CS..EExtended strand (participates in β ladder)trans-129.5153177.4-52-81.5000110.5P444 W462 Q464 A472 V492 G493 T496 K514 A515P444-Y475 HydrophobicContact CB-CD1 4.27Å; P444-Y475 HydrophobicContact CB-CE1 4.22Å; P444-Y475 HydrophobicContact CG-CD1 4.37Å; W462-Y475 AromaticContact CD1-CD1 3.8Å; W462-Y475 AromaticContact CD1-CG 3.87Å; W462-Y475 AromaticContact NE1-CD1 3.55Å; W462-Y475 AromaticContact NE1-CD2 3.29Å; W462-Y475 VanDerWaalsContact NE1-CD2 3.29Å; W462-Y475 AromaticContact NE1-CE2 3.86Å; W462-Y475 AromaticContact NE1-CG 3.12Å; Q464-Y475 HydrophobicContact CG-CE1 4.43Å; Q464-Y475 WeakPolarHBondContact CG-OH 3.35Å; A472-Y475 HydrophobicContact CB-CE1 4.28Å; Y475-V492 WeakPolarHBondContact O-CA 3.48Å; Y475-G493 PolarHBondContact N-O 2.85Å; Y475-G493 PolarHBondContact O-N 2.87Å; Y475-T496 HydrophobicContact CE2-CG2 4.08Å; Y475-K514 CarbonylContact C-O 3.54Å; Y475-K514 WeakPolarHBondContact CA-O 3.26Å; Y475-A515 HydrophobicContact CD1-CB 3.74Å; Y475-A515 HydrophobicContact CE1-CB 3.82Å
476I95.3Very high81.6Confident18 Ų1856.4 Ų56.49%0.09234%0.341CS..EExtended strand (participates in β ladder)trans-124.6120.3171-63.6156.6000107.4E489 Y491 V492 V513 K514 F516I476-E489 HydrophobicContact CG2-CB 4.2Å; I476-E489 HydrophobicContact CG2-CG 3.73Å; I476-E489 WeakPolarHBondContact CG2-OE1 3.43Å; I476-Y491 CarbonylContact C-O 3.6Å; I476-Y491 WeakPolarHBondContact CA-O 3.48Å; I476-V492 HydrophobicContact CG1-CB 4.37Å; I476-V492 HydrophobicContact CG1-CG1 3.86Å; I476-V492 HydrophobicContact CG1-CG2 4Å; I476-V492 HydrophobicContact CG2-CG2 4.21Å; I476-V513 WeakPolarHBondContact O-CA 3.47Å; I476-K514 HydrophobicContact CB-CD 4.31Å; I476-K514 VanDerWaalsContact CB-CE 3.44Å; I476-K514 HydrophobicContact CB-CG 3.82Å; I476-K514 HydrophobicContact CD1-CD 4.43Å; I476-K514 VanDerWaalsContact CD1-CE 3.42Å; I476-K514 HydrophobicContact CD1-CG 4.49Å; I476-K514 HydrophobicContact CG2-CG 4.43Å; I476-K514 PolarHBondContact N-O 2.79Å; I476-K514 PolarHBondContact O-N 2.82Å; I476-F516 HydrophobicContact CD1-CD1 3.8Å; I476-F516 HydrophobicContact CD1-CE1 4.24Å; I476-F516 HydrophobicContact CG1-CD1 3.79Å; I476-F516 HydrophobicContact CG1-CE1 3.9Å
477L94.7Very high82.9Confident0 Ų053.1 Ų53.10%031%0.314CS..EExtended strand (participates in β ladder)trans-98.8133.9174.3177.368.5000109.3L460 W462 V490 Y491 C498 V500 V513L460-L477 HydrophobicContact CB-CD2 4.31Å; L460-L477 HydrophobicContact CD1-CD1 4.14Å; L460-L477 HydrophobicContact CD1-CD2 3.86Å; W462-L477 HydrophobicContact CH2-CB 4.23Å; W462-L477 HydrophobicContact CH2-CD2 4.2Å; W462-L477 HydrophobicContact CZ3-CD1 4.31Å; W462-L477 HydrophobicContact CZ3-CD2 3.98Å; L477-V490 HydrophobicContact CB-CG2 4.24Å; L477-V490 HydrophobicContact CD2-CG2 3.86Å; L477-V490 HydrophobicContact CG-CG2 3.78Å; L477-V490 WeakPolarHBondContact O-CG2 3.45Å; L477-V490 PolarHBondContact O-N 2.96Å; L477-Y491 PolarHBondContact N-O 3.29Å; L477-Y491 PolarHBondContact O-N 3.22Å; L477-C498 HydrophobicContact CD2-CB 4.29Å; L477-V500 HydrophobicContact CD2-CG2 4.31Å; L477-V513 HydrophobicContact CD1-CB 4.05Å
478E94.8Very high84.3Confident8 Ų853.3 Ų53.34%0.03730%0.303CS..EExtended strand (participates in β ladder)trans-120.3142.5174.1-76.7167.7-148.700111.5F487 R488 E489 A511 R512 K514 Y524E478-F487 HydrophobicContact CB-CB 4.25Å; E478-F487 HydrophobicContact CB-CD1 4.16Å; E478-R488 WeakPolarHBondContact CA-O 3.47Å; E478-E489 HydrophobicContact CG-CB 4.39Å; E478-E489 HydrophobicContact CG-CG 3.72Å; E478-A511 CarbonylContact O-C 3.57Å; E478-A511 WeakPolarHBondContact O-CA 3.43Å; E478-R512 HydrophobicContact CB-CG 3.93Å; E478-R512 PolarHBondContact N-O 2.64Å; E478-R512 PolarHBondContact O-N 2.88Å; E478-R512 IonicContact OE2-CZ 3.57Å; E478-R512 IonicContact OE2-NE 2.61Å; E478-R512 PolarHBondContact OE2-NE 3.05Å; E478-R512 IonicContact OE2-NH2 3.51Å; E478-R512 PolarHBondContact OE2-NH2 2.64Å; E478-K514 IonicContact OE1-NZ 2.71Å; E478-K514 PolarHBondContact OE1-NZ 2.91Å; E478-Y524 VanDerWaalsContact OE1-CE1 3.32Å; E478-Y524 WeakPolarHBondContact OE1-CE1 3.24Å; E478-Y524 PolarHBondContact OE1-OH 3.37Å; E478-Y524 WeakPolarHBondContact OE2-CE1 3.05Å; E478-Y524 PolarHBondContact OE2-OH 3.04Å
479L92.8Very high85.5Confident3 Ų357.4 Ų57.42%0.01632%0.319CS..EExtended strand (participates in β ladder)trans-133.1143.3175.8-103.7159.7000108.9L460 F487 R488 V490 V500 Y509 N510 A511L460-L479 HydrophobicContact CD1-CD1 4.01Å; L479-F487 CarbonylContact O-C 3.56Å; L479-F487 WeakPolarHBondContact O-CA 3.24Å; L479-R488 PolarHBondContact N-O 3Å; L479-R488 PolarHBondContact O-N 3.32Å; L479-V490 HydrophobicContact CB-CG1 4.01Å; L479-V490 HydrophobicContact CB-CG2 4.1Å; L479-V490 HydrophobicContact CD1-CG2 4.15Å; L479-V500 HydrophobicContact CD1-CB 4.22Å; L479-V500 HydrophobicContact CD1-CG1 4.25Å; L479-V500 HydrophobicContact CD1-CG2 4.02Å; L479-Y509 HydrophobicContact CD2-CD1 4.07Å; L479-Y509 HydrophobicContact CD2-CG 4.18Å; L479-N510 WeakPolarHBondContact CA-O 3.41Å; L479-A511 HydrophobicContact CD2-CB 3.95Å; L479-A511 HydrophobicContact CG-CB 3.99Å
480D90.3Very high86.7Confident10 Ų1053.7 Ų53.75%0.05330%0.296CS..  trans-81.1-172.1173.773.7-9.7000112.3G482 G484 F487 Y509 N510D480-G482 VanDerWaalsContact C-N 3.32Å; D480-G482 PolarHBondContact OD1-N 3.15Å; D480-G484 WeakPolarHBondContact OD2-CA 3.44Å; D480-G484 PolarHBondContact OD2-N 3.41Å; D480-F487 HydrophobicContact CB-CD1 4.43Å; D480-Y509 WeakPolarHBondContact O-CD1 3.19Å; D480-Y509 WeakPolarHBondContact OD1-CA 3.45Å; D480-N510 HydrophobicContact CB-CB 4.42Å; D480-N510 PolarHBondContact N-O 3.38Å; D480-N510 VanDerWaalsContact N-O 3.16Å; D480-N510 PolarHBondContact OD1-N 2.94Å; D480-N510 WeakPolarHBondContact OD2-CB 3.38Å; D480-N510 PolarHBondContact OD2-ND2 2.88Å
481D84.6Confident87.4Confident60 Ų6055 Ų5532%0.32130%0.299SS..  trans-88.19.1-178.255.319000114.2N483 G485D481-N483 PolarHBondContact O-N 2.71Å; D481-N483 PolarHBondContact OD1-N 3.14Å; D481-N483 VanDerWaalsContact OD1-N 3.16Å; D481-G485 WeakPolarHBondContact OD1-CA 3.39Å; D481-G485 PolarHBondContact OD1-N 3.05Å; D481-G485 WeakPolarHBondContact OD2-CA 3.46Å
482G79.5Confident88.1Confident8 Ų854.6 Ų54.68%0.08230%0.295CS..SBendtrans79.5-1.9-178.300000114.7D480 T508 Y509D480-G482 VanDerWaalsContact C-N 3.32Å; D480-G482 PolarHBondContact OD1-N 3.15Å; G482-T508 CarbonylContact C-O 3.57Å; G482-T508 WeakPolarHBondContact CA-O 3.29Å; G482-T508 VanDerWaalsContact O-O 3.13Å; G482-Y509 VanDerWaalsContact CA-CE1 3.45Å
483N77.3Confident88.4Confident153 Ų15354.3 Ų54.382%0.81829%0.294SS*.SBendtrans-120.314177.4-78.5-40.2000112.6D481D481-N483 PolarHBondContact O-N 2.71Å; D481-N483 PolarHBondContact OD1-N 3.14Å; D481-N483 VanDerWaalsContact OD1-N 3.16Å
484G71.9Confident88.4Confident54 Ų5458.8 Ų58.856%0.55731%0.311SS*.SBendtrans74.620.8-177.900000114.6D480D480-G484 WeakPolarHBondContact OD2-CA 3.44Å; D480-G484 PolarHBondContact OD2-N 3.41Å
485G76.9Confident88.5Confident36 Ų3664.5 Ų64.537%0.37134%0.338SS..  trans-81.6-138177.900000113.9D481D481-G485 WeakPolarHBondContact OD1-CA 3.39Å; D481-G485 PolarHBondContact OD1-N 3.05Å; D481-G485 WeakPolarHBondContact OD2-CA 3.46Å
486Q84.9Confident88.3Confident163 Ų16366.8 Ų66.876%0.76235%0.353SS*.  trans-85.8124.3-174.3-68.9-172.92.100112.1
487F90.8Very high88.1Confident62 Ų6270.3 Ų70.327%0.27237%0.371SS..  trans-54.2134.6166-71.9-89.4000111.6E478 L479 D480 N510 R512 T527E478-F487 HydrophobicContact CB-CB 4.25Å; E478-F487 HydrophobicContact CB-CD1 4.16Å; L479-F487 CarbonylContact O-C 3.56Å; L479-F487 WeakPolarHBondContact O-CA 3.24Å; D480-F487 HydrophobicContact CB-CD1 4.43Å; F487-N510 HydrophobicContact CE1-CB 3.93Å; F487-N510 VanDerWaalsContact CE1-O 3.23Å; F487-N510 WeakPolarHBondContact CE1-O 3.49Å; F487-N510 HydrophobicContact CZ-CB 3.85Å; F487-R512 HydrophobicContact CD1-CG 3.88Å; F487-R512 HydrophobicContact CE1-CB 4.49Å; F487-R512 HydrophobicContact CE1-CG 3.8Å; F487-R512 VanDerWaalsContact CG-CZ 3.5Å; F487-T527 HydrophobicContact CZ-CG2 4.45Å
488R88.6Confident88Confident170 Ų17071 Ų7164%0.64238%0.375SS*.EExtended strand (participates in β ladder)trans-124142.7175.9-60.4-178.8-175.7177.43.4109.7E478 L479 V490E478-R488 WeakPolarHBondContact CA-O 3.47Å; L479-R488 PolarHBondContact N-O 3Å; L479-R488 PolarHBondContact O-N 3.32Å; R488-V490 PolarHBondContact O-N 2.95Å
489E92.3Very high87.9Confident114 Ų11473.9 Ų73.953%0.53339%0.393SS..EExtended strand (participates in β ladder)trans-71.7115.5175.1-62.2-174.7156.600109.1I476 E478 K514I476-E489 HydrophobicContact CG2-CB 4.2Å; I476-E489 HydrophobicContact CG2-CG 3.73Å; I476-E489 WeakPolarHBondContact CG2-OE1 3.43Å; E478-E489 HydrophobicContact CG-CB 4.39Å; E478-E489 HydrophobicContact CG-CG 3.72Å; E489-K514 IonicContact OE1-NZ 2.6Å; E489-K514 PolarHBondContact OE1-NZ 2.69Å
490V90.8Very high87.7Confident60 Ų6074.7 Ų74.736%0.36440%0.398SS..EExtended strand (participates in β ladder)trans-106.2-21.9-176.5-69.90000112.9L477 L479 R488 V500L477-V490 HydrophobicContact CB-CG2 4.24Å; L477-V490 HydrophobicContact CD2-CG2 3.86Å; L477-V490 HydrophobicContact CG-CG2 3.78Å; L477-V490 WeakPolarHBondContact O-CG2 3.45Å; L477-V490 PolarHBondContact O-N 2.96Å; L479-V490 HydrophobicContact CB-CG1 4.01Å; L479-V490 HydrophobicContact CB-CG2 4.1Å; L479-V490 HydrophobicContact CD1-CG2 4.15Å; R488-V490 PolarHBondContact O-N 2.95Å; V490-V500 HydrophobicContact CB-CG1 4.43Å; V490-V500 HydrophobicContact CB-CG2 4.25Å; V490-V500 HydrophobicContact CG1-CG1 4.44Å; V490-V500 HydrophobicContact CG2-CG2 3.99Å
491Y93.1Very high87.6Confident47 Ų4779.5 Ų79.518%0.18442%0.424CS..EExtended strand (participates in β ladder)trans-146.1138.1173.4171.2-86.6000110.9W462 I476 L477 G493 K494 E495 C498W462-Y491 HydrophobicContact CH2-CD1 4.04Å; W462-Y491 HydrophobicContact CH2-CE1 4.33Å; W462-Y491 HydrophobicContact CZ2-CD1 4.06Å; W462-Y491 HydrophobicContact CZ2-CE1 4.02Å; I476-Y491 CarbonylContact C-O 3.6Å; I476-Y491 WeakPolarHBondContact CA-O 3.48Å; L477-Y491 PolarHBondContact N-O 3.29Å; L477-Y491 PolarHBondContact O-N 3.22Å; Y491-G493 WeakPolarHBondContact OH-CA 3.25Å; Y491-K494 PolarHBondContact OH-N 3.28Å; Y491-E495 VanDerWaalsContact OH-CB 3.31Å; Y491-E495 WeakPolarHBondContact OH-CB 3.27Å; Y491-E495 WeakPolarHBondContact OH-CG 3.47Å; Y491-E495 PolarHBondContact OH-N 2.85Å; Y491-C498 VanDerWaalsContact CB-SG 3.58Å; Y491-C498 HydrophobicContact CD1-CB 4.47Å; Y491-C498 HydrophobicContact CD2-CB 4Å; Y491-C498 HydrophobicContact CG-CB 3.98Å
492V92.4Very high87.5Confident86 Ų8679.7 Ų79.752%0.52144%0.44SS..EExtended strand (participates in β ladder)trans-136.2115.8172-175.30000108.2Y475 I476 F516Y475-V492 WeakPolarHBondContact O-CA 3.48Å; I476-V492 HydrophobicContact CG1-CB 4.37Å; I476-V492 HydrophobicContact CG1-CG1 3.86Å; I476-V492 HydrophobicContact CG1-CG2 4Å; I476-V492 HydrophobicContact CG2-CG2 4.21Å; V492-F516 HydrophobicContact CG1-CE1 4.05Å; V492-F516 HydrophobicContact CG1-CZ 4.32Å
493G90.4Very high87.9Confident19 Ų1980.4 Ų80.420%0.19644%0.442CS..EExtended strand (participates in β ladder)trans176.1-169.1-175.200000114.3G474 Y475 Y491G474-G493 CarbonylContact C-O 3.58Å; G474-G493 VanDerWaalsContact CA-O 3.23Å; G474-G493 WeakPolarHBondContact CA-O 3.32Å; Y475-G493 PolarHBondContact N-O 2.85Å; Y475-G493 PolarHBondContact O-N 2.87Å; Y491-G493 WeakPolarHBondContact OH-CA 3.25Å
494K90.3Very high88.3Confident145 Ų14579.4 Ų79.463%0.6343%0.432SS*.SBendtrans-97.9-16.2-174.8-74.7-170168.8-167.90114.9D473 Y491D473-K494 WeakPolarHBondContact O-CE 3.46Å; D473-K494 WeakPolarHBondContact O-CG 3.32Å; Y491-K494 PolarHBondContact OH-N 3.28Å
495E91.3Very high89Confident122 Ų12279.9 Ų79.957%0.5742%0.419SS*.  trans-71.3149.8-177.3-49.2-46.8130.900110.5W462 Y491 M497W462-E495 VanDerWaalsContact CZ2-O 3.31Å; W462-E495 WeakPolarHBondContact CZ2-O 3.34Å; Y491-E495 VanDerWaalsContact OH-CB 3.31Å; Y491-E495 WeakPolarHBondContact OH-CB 3.27Å; Y491-E495 WeakPolarHBondContact OH-CG 3.47Å; Y491-E495 PolarHBondContact OH-N 2.85Å; E495-M497 VanDerWaalsContact C-N 3.3Å
496T92Very high89.3Confident65 Ų6581.8 Ų81.840%0.39942%0.42SS..SBendtrans-89.65.5177.142.60000112.9S461 W462 Y475S461-T496 CarbonylContact C-O 3.55Å; S461-T496 WeakPolarHBondContact CA-O 3.43Å; W462-T496 PolarHBondContact N-O 3.4Å; W462-T496 WeakPolarHBondContact O-CB 3.5Å; W462-T496 VanDerWaalsContact O-CG2 3.24Å; W462-T496 WeakPolarHBondContact O-CG2 3.45Å; Y475-T496 HydrophobicContact CE2-CG2 4.08Å
497M90.8Very high89.4Confident92 Ų9275.2 Ų75.245%0.45339%0.392SS..EExtended strand (participates in β ladder)trans-146.2141.2-177.7-176.3179.3-78.400110.3T459 L460 E495T459-M497 HydrophobicContact CG2-CG 4.08Å; T459-M497 HydrophobicContact CG2-SD 4.28Å; L460-M497 CarbonylContact O-C 3.39Å; L460-M497 VanDerWaalsContact O-CA 3.24Å; L460-M497 WeakPolarHBondContact O-CA 3.42Å; E495-M497 VanDerWaalsContact C-N 3.3Å
498C92.6Very high89.3Confident15 Ų1575.3 Ų75.310%0.10140%0.398CS..EExtended strand (participates in β ladder)trans-147.6137.9176.2173.70000110.9T459 L460 W462 L477 Y491T459-C498 WeakPolarHBondContact CA-O 3.36Å; L460-C498 PolarHBondContact N-O 3.48Å; L460-C498 PolarHBondContact O-N 3.21Å; W462-C498 HydrophobicContact CH2-CB 3.7Å; W462-C498 HydrophobicContact CZ3-CB 4.12Å; L477-C498 HydrophobicContact CD2-CB 4.29Å; Y491-C498 VanDerWaalsContact CB-SG 3.58Å; Y491-C498 HydrophobicContact CD1-CB 4.47Å; Y491-C498 HydrophobicContact CD2-CB 4Å; Y491-C498 HydrophobicContact CG-CB 3.98Å
499T91.8Very high89.4Confident67 Ų6767.7 Ų67.741%0.41137%0.37SS..EExtended strand (participates in β ladder)trans-100.5134.4166.2-53.30000109.4A458 T459A458-T499 CarbonylContact O-C 3.41Å; A458-T499 WeakPolarHBondContact O-CA 3.21Å; T459-T499 WeakPolarHBondContact OG1-CG2 3.48Å; T459-T499 PolarHBondContact OG1-OG1 3Å
500V90.1Very high89.4Confident20 Ų2064.2 Ų64.212%0.12136%0.355CS..EExtended strand (participates in β ladder)trans-116.5108.2177.6-177.10000108S457 A458 L477 L479 V490 L503S457-V500 WeakPolarHBondContact CA-O 3.27Å; S457-V500 WeakPolarHBondContact CB-O 3.34Å; A458-V500 PolarHBondContact N-O 3.29Å; A458-V500 PolarHBondContact O-N 3.11Å; L477-V500 HydrophobicContact CD2-CG2 4.31Å; L479-V500 HydrophobicContact CD1-CB 4.22Å; L479-V500 HydrophobicContact CD1-CG1 4.25Å; L479-V500 HydrophobicContact CD1-CG2 4.02Å; V490-V500 HydrophobicContact CB-CG1 4.43Å; V490-V500 HydrophobicContact CB-CG2 4.25Å; V490-V500 HydrophobicContact CG1-CG1 4.44Å; V490-V500 HydrophobicContact CG2-CG2 3.99Å; V500-L503 HydrophobicContact CG1-CD2 4.05Å
501D87.8Confident89.4Confident112 Ų11261.4 Ų61.460%0.59934%0.337SS*.EExtended strand (participates in β ladder)trans-96.5158.9-179.3-55.4-61.2000112.3S457S457-D501 WeakPolarHBondContact CB-OD1 3.2Å; S457-D501 PolarHBondContact OG-OD1 2.98Å
502G82.9Confident89.4Confident63 Ų6362 Ų6265%0.64934%0.339SS*.  trans83.922.3175.100000114.8N456N456-G502 PolarHBondContact O-N 3Å
503L87.8Confident89.6Confident23 Ų2357.9 Ų57.912%0.1231%0.314CS..PPolyproline II helixtrans-70.6156.6171.3-57.9178.5000110.9N456 A458 V500 Y509 T532N456-L503 VanDerWaalsContact CB-O 3.3Å; N456-L503 WeakPolarHBondContact CB-O 3.19Å; N456-L503 WeakPolarHBondContact O-CB 3.36Å; N456-L503 PolarHBondContact O-N 3.45Å; A458-L503 HydrophobicContact CB-CD1 3.7Å; V500-L503 HydrophobicContact CG1-CD2 4.05Å; L503-Y509 HydrophobicContact CB-CE2 3.75Å; L503-Y509 HydrophobicContact CD1-CD2 4.25Å; L503-Y509 HydrophobicContact CD1-CE2 4.27Å; L503-Y509 HydrophobicContact CD2-CD1 4.43Å; L503-Y509 HydrophobicContact CD2-CE1 3.98Å; L503-Y509 HydrophobicContact CD2-CE2 4.32Å; L503-Y509 HydrophobicContact CG-CE2 4.34Å; L503-T532 HydrophobicContact CB-CG2 3.85Å; L503-T532 HydrophobicContact CD1-CG2 4.02Å
504H85.1Confident89.7Confident133 Ų13357.8 Ų57.862%0.61631%0.309SS*.PPolyproline II helixtrans-68.7141.9171.7-68.1-62.2000110.5S507 Y509 T532H504-S507 WeakPolarHBondContact CB-OG 3.38Å; H504-S507 WeakPolarHBondContact O-CB 3.32Å; H504-Y509 PolarHBondContact N-OH 3.01Å; H504-T532 WeakPolarHBondContact O-CB 3.24Å; H504-T532 WeakPolarHBondContact O-CG2 3.48Å; H504-T532 PolarHBondContact O-OG1 3.48Å
505F85.6Confident89.8Confident63 Ų6350.9 Ų50.928%0.27628%0.279SS..THydrogen-bonded Turntrans-65.6156.7172-65.8-78.7000111.7N455 N456 S507 S533 D535N455-F505 HydrophobicContact CB-CE1 4.1Å; N456-F505 HydrophobicContact CB-CD1 4.33Å; N456-F505 HydrophobicContact CB-CE1 3.86Å; N456-F505 HydrophobicContact CB-CE2 4.26Å; N456-F505 HydrophobicContact CB-CZ 3.82Å; F505-S507 PolarHBondContact O-N 3.36Å; F505-S507 PolarHBondContact O-OG 3.09Å; F505-S533 CarbonylContact C-O 3.6Å; F505-S533 WeakPolarHBondContact CA-O 3.42Å; F505-S533 WeakPolarHBondContact CB-O 3.47Å; F505-D535 HydrophobicContact CB-CB 3.9Å; F505-D535 HydrophobicContact CD1-CB 4.18Å; F505-D535 HydrophobicContact CD2-CB 3.71Å; F505-D535 VanDerWaalsContact CD2-OD2 3.27Å; F505-D535 WeakPolarHBondContact CD2-OD2 3.48Å; F505-D535 HydrophobicContact CE2-CB 4.2Å; F505-D535 WeakPolarHBondContact CE2-OD1 3.44Å; F505-D535 WeakPolarHBondContact CE2-OD2 3.43Å; F505-D535 HydrophobicContact CG-CB 3.69Å
506N84.3Confident89.8Confident76 Ų7647.6 Ų47.641%0.40626%0.263SS..THydrogen-bonded Turntrans43.437.4-179.2-153.23000115Q531 T532 S533 E534N506-Q531 PolarHBondContact OD1-NE2 3.14Å; N506-T532 PolarHBondContact N-OG1 2.86Å; N506-S533 PolarHBondContact N-O 3.39Å; N506-E534 HydrophobicContact CB-CG 4.26Å; N506-E534 PolarHBondContact ND2-OE1 3.45Å
507S86.7Confident89.6Confident25 Ų2545.3 Ų45.318%0.17525%0.248CC..  trans-118.4144.6-172-64.30000110.3H504 F505 Q531 T532H504-S507 WeakPolarHBondContact CB-OG 3.38Å; H504-S507 WeakPolarHBondContact O-CB 3.32Å; F505-S507 PolarHBondContact O-N 3.36Å; F505-S507 PolarHBondContact O-OG 3.09Å; S507-Q531 WeakPolarHBondContact O-CA 3.36Å; S507-T532 PolarHBondContact N-OG1 3.06Å; S507-T532 PolarHBondContact O-N 3.18Å; S507-T532 PolarHBondContact O-OG1 2.98Å
508T88.9Confident89Confident65 Ų6550 Ų5040%0.39927%0.266SS..EExtended strand (participates in β ladder)trans-105.6106.5-171.2-60.60000110.5G482 V529 L530G482-T508 CarbonylContact C-O 3.57Å; G482-T508 WeakPolarHBondContact CA-O 3.29Å; G482-T508 VanDerWaalsContact O-O 3.13Å; T508-V529 HydrophobicContact CG2-CG1 3.47Å; T508-V529 VanDerWaalsContact CG2-CG1 3.47Å; T508-L530 CarbonylContact C-O 3.56Å; T508-L530 WeakPolarHBondContact CA-O 3.47Å
509Y89.8Confident88.2Confident10 Ų1052.3 Ų52.34%0.03928%0.28CS..EExtended strand (participates in β ladder)trans-101.1140.2-171.3-76.5-80.2000112.8L479 D480 G482 L503 H504 V529 L530 T532L479-Y509 HydrophobicContact CD2-CD1 4.07Å; L479-Y509 HydrophobicContact CD2-CG 4.18Å; D480-Y509 WeakPolarHBondContact O-CD1 3.19Å; D480-Y509 WeakPolarHBondContact OD1-CA 3.45Å; G482-Y509 VanDerWaalsContact CA-CE1 3.45Å; L503-Y509 HydrophobicContact CB-CE2 3.75Å; L503-Y509 HydrophobicContact CD1-CD2 4.25Å; L503-Y509 HydrophobicContact CD1-CE2 4.27Å; L503-Y509 HydrophobicContact CD2-CD1 4.43Å; L503-Y509 HydrophobicContact CD2-CE1 3.98Å; L503-Y509 HydrophobicContact CD2-CE2 4.32Å; L503-Y509 HydrophobicContact CG-CE2 4.34Å; H504-Y509 PolarHBondContact N-OH 3.01Å; Y509-V529 CarbonylContact O-C 3.59Å; Y509-V529 WeakPolarHBondContact O-CA 3.24Å; Y509-L530 PolarHBondContact N-O 3.02Å; Y509-L530 PolarHBondContact O-N 2.94Å; Y509-T532 HydrophobicContact CD2-CG2 4.21Å; Y509-T532 HydrophobicContact CE2-CG2 4.09Å
510N91.9Very high87.6Confident41 Ų4150.4 Ų50.422%0.21927%0.273CS..EExtended strand (participates in β ladder)trans-103.5115173.4-68.5-81.1000110.5L479 D480 F487 T527L479-N510 WeakPolarHBondContact CA-O 3.41Å; D480-N510 HydrophobicContact CB-CB 4.42Å; D480-N510 PolarHBondContact N-O 3.38Å; D480-N510 VanDerWaalsContact N-O 3.16Å; D480-N510 PolarHBondContact OD1-N 2.94Å; D480-N510 WeakPolarHBondContact OD2-CB 3.38Å; D480-N510 PolarHBondContact OD2-ND2 2.88Å; F487-N510 HydrophobicContact CE1-CB 3.93Å; F487-N510 VanDerWaalsContact CE1-O 3.23Å; F487-N510 WeakPolarHBondContact CE1-O 3.49Å; F487-N510 HydrophobicContact CZ-CB 3.85Å; N510-T527 HydrophobicContact CB-CG2 3.71Å
511A92Very high87.5Confident0 Ų053.2 Ų53.20%029%0.29CS..EExtended strand (participates in β ladder)trans-105140.4177.700000112.1L460 E478 L479 T527 L528 L530L460-A511 HydrophobicContact CD1-CB 3.79Å; L460-A511 HydrophobicContact CD2-CB 4.07Å; E478-A511 CarbonylContact O-C 3.57Å; E478-A511 WeakPolarHBondContact O-CA 3.43Å; L479-A511 HydrophobicContact CD2-CB 3.95Å; L479-A511 HydrophobicContact CG-CB 3.99Å; A511-T527 CarbonylContact O-C 3.59Å; A511-T527 WeakPolarHBondContact O-CA 3.49Å; A511-L528 PolarHBondContact N-O 2.96Å; A511-L528 PolarHBondContact O-N 3.27Å; A511-L530 HydrophobicContact CB-CD1 4.32Å
512R93.9Very high87.6Confident59 Ų5948.1 Ų48.122%0.22326%0.263CS..EExtended strand (participates in β ladder)trans-148.3145.2173.966.9-176.8-171.1-167.33.1111.5E478 F487 Y524E478-R512 HydrophobicContact CB-CG 3.93Å; E478-R512 PolarHBondContact N-O 2.64Å; E478-R512 PolarHBondContact O-N 2.88Å; E478-R512 IonicContact OE2-CZ 3.57Å; E478-R512 IonicContact OE2-NE 2.61Å; E478-R512 PolarHBondContact OE2-NE 3.05Å; E478-R512 IonicContact OE2-NH2 3.51Å; E478-R512 PolarHBondContact OE2-NH2 2.64Å; F487-R512 HydrophobicContact CD1-CG 3.88Å; F487-R512 HydrophobicContact CE1-CB 4.49Å; F487-R512 HydrophobicContact CE1-CG 3.8Å; F487-R512 VanDerWaalsContact CG-CZ 3.5Å; R512-Y524 HydrophobicContact CB-CD1 4.21Å; R512-Y524 HydrophobicContact CG-CD1 3.66Å; R512-Y524 HydrophobicContact CG-CE1 4.09Å; R512-Y524 HydrophobicContact CG-CG 4.32Å
513V94.8Very high87.9Confident0 Ų049.3 Ų49.30%026%0.26CS..EExtended strand (participates in β ladder)trans-127.5138.8-177.753.80000111.8P444 L446 W462 I476 L477 Y524 S525P444-V513 HydrophobicContact CB-CG1 4.38Å; P444-V513 HydrophobicContact CG-CB 4.41Å; P444-V513 HydrophobicContact CG-CG1 3.99Å; P444-V513 HydrophobicContact CG-CG2 3.99Å; P444-V513 WeakPolarHBondContact CG-O 3.43Å; L446-V513 HydrophobicContact CD1-CG1 4.42Å; L446-V513 HydrophobicContact CD2-CG1 3.79Å; L446-V513 HydrophobicContact CG-CG1 3.87Å; W462-V513 HydrophobicContact CB-CG1 4.12Å; W462-V513 HydrophobicContact CD2-CG1 4.4Å; W462-V513 HydrophobicContact CD2-CG2 3.96Å; W462-V513 HydrophobicContact CG-CG1 4.16Å; W462-V513 HydrophobicContact CG-CG2 4.1Å; W462-V513 HydrophobicContact CZ2-CG2 4.48Å; I476-V513 WeakPolarHBondContact O-CA 3.47Å; L477-V513 HydrophobicContact CD1-CB 4.05Å; V513-Y524 CarbonylContact O-C 3.59Å; V513-Y524 WeakPolarHBondContact O-CA 3.23Å; V513-S525 PolarHBondContact N-OG 3.42Å; V513-S525 PolarHBondContact O-N 3.21Å
514K93.6Very high88Confident17 Ų1752.4 Ų52.47%0.07427%0.27CS..EExtended strand (participates in β ladder)trans-119.6144.8173.262.5-171.6173.5-150.30109.5Y475 I476 E478 E489 V521 Y524Y475-K514 CarbonylContact C-O 3.54Å; Y475-K514 WeakPolarHBondContact CA-O 3.26Å; I476-K514 HydrophobicContact CB-CD 4.31Å; I476-K514 VanDerWaalsContact CB-CE 3.44Å; I476-K514 HydrophobicContact CB-CG 3.82Å; I476-K514 HydrophobicContact CD1-CD 4.43Å; I476-K514 VanDerWaalsContact CD1-CE 3.42Å; I476-K514 HydrophobicContact CD1-CG 4.49Å; I476-K514 HydrophobicContact CG2-CG 4.43Å; I476-K514 PolarHBondContact N-O 2.79Å; I476-K514 PolarHBondContact O-N 2.82Å; E478-K514 IonicContact OE1-NZ 2.71Å; E478-K514 PolarHBondContact OE1-NZ 2.91Å; E489-K514 IonicContact OE1-NZ 2.6Å; E489-K514 PolarHBondContact OE1-NZ 2.69Å; K514-V521 HydrophobicContact CD-CB 4.48Å; K514-Y524 HydrophobicContact CB-CD1 3.9Å; K514-Y524 HydrophobicContact CB-CE1 4.12Å; K514-Y524 HydrophobicContact CB-CG 4.45Å; K514-Y524 HydrophobicContact CD-CD1 4.25Å; K514-Y524 HydrophobicContact CD-CE1 3.56Å; K514-Y524 HydrophobicContact CG-CD1 4.26Å; K514-Y524 HydrophobicContact CG-CE1 3.98Å; K514-Y524 PolarHBondContact NZ-OH 3.48Å
515A92.4Very high88.3Confident0 Ų046.7 Ų46.70%025%0.245CC..EExtended strand (participates in β ladder)trans-93.5154.8171.600000110P441 P444 A472 Y475 V521 S522P441-A515 HydrophobicContact CB-CB 3.8Å; P441-A515 HydrophobicContact CG-CB 4.26Å; P444-A515 HydrophobicContact CG-CB 4.28Å; A472-A515 HydrophobicContact CB-CB 4.21Å; Y475-A515 HydrophobicContact CD1-CB 3.74Å; Y475-A515 HydrophobicContact CE1-CB 3.82Å; A515-V521 CarbonylContact O-C 3.6Å; A515-V521 WeakPolarHBondContact O-CA 3.36Å; A515-S522 PolarHBondContact N-OG 3.34Å; A515-S522 PolarHBondContact O-N 3.01Å
516F90.4Very high88.4Confident53 Ų5353 Ų5323%0.23227%0.273CS..EExtended strand (participates in β ladder)trans-139.6153.4176.671.5-95.6000112.8A472 D473 G474 I476 V492 G520 V521A472-F516 CarbonylContact C-O 3.56Å; A472-F516 WeakPolarHBondContact CA-O 3.33Å; D473-F516 HydrophobicContact CB-CD2 4.41Å; D473-F516 HydrophobicContact CB-CE2 4.25Å; D473-F516 PolarHBondContact N-O 2.79Å; G474-F516 PolarHBondContact N-O 2.84Å; G474-F516 WeakPolarHBondContact O-CD1 3.36Å; G474-F516 PolarHBondContact O-N 3.2Å; I476-F516 HydrophobicContact CD1-CD1 3.8Å; I476-F516 HydrophobicContact CD1-CE1 4.24Å; I476-F516 HydrophobicContact CG1-CD1 3.79Å; I476-F516 HydrophobicContact CG1-CE1 3.9Å; V492-F516 HydrophobicContact CG1-CE1 4.05Å; V492-F516 HydrophobicContact CG1-CZ 4.32Å; F516-G520 WeakPolarHBondContact CA-O 3.49Å; F516-V521 HydrophobicContact CB-CG1 3.95Å
517N88.2Confident88.6Confident17 Ų1752.8 Ų52.89%0.09127%0.274CS..EExtended strand (participates in β ladder)trans-140.1-179.9166.769.916.4000110.3P439 P441 D473 T519 G520P439-N517 PolarHBondContact O-ND2 3.04Å; P441-N517 HydrophobicContact CG-CB 3.86Å; D473-N517 VanDerWaalsContact OD2-CA 3.24Å; D473-N517 WeakPolarHBondContact OD2-CA 3.31Å; D473-N517 WeakPolarHBondContact OD2-CB 3.35Å; N517-T519 PolarHBondContact O-N 2.92Å; N517-T519 PolarHBondContact OD1-N 3.31Å; N517-T519 PolarHBondContact OD1-OG1 3.23Å; N517-G520 PolarHBondContact N-O 3.44Å; N517-G520 PolarHBondContact O-N 3.23Å; N517-G520 PolarHBondContact OD1-N 3.03Å
518K78.7Confident88.8Confident190 Ų19053 Ų5383%0.82627%0.273SS*.THydrogen-bonded Turntrans-53.3-15.9178.3-71161.3-163.8165.40115.9D473D473-K518 WeakPolarHBondContact OD2-CG 3.47Å; D473-K518 PolarHBondContact OD2-N 3.44Å
519T75.1Confident88.8Confident65 Ų6554.1 Ų54.140%0.39928%0.28SS..THydrogen-bonded Turntrans-101.1-14.4177.8-13.80000114.2S438 N517S438-T519 WeakPolarHBondContact CB-OG1 3.27Å; S438-T519 WeakPolarHBondContact O-CB 3.4Å; S438-T519 VanDerWaalsContact O-CG2 3.24Å; S438-T519 WeakPolarHBondContact O-CG2 3.48Å; S438-T519 PolarHBondContact O-OG1 2.96Å; N517-T519 PolarHBondContact O-N 2.92Å; N517-T519 PolarHBondContact OD1-N 3.31Å; N517-T519 PolarHBondContact OD1-OG1 3.23Å
520G80.1Confident88.7Confident26 Ų2654.5 Ų54.527%0.26828%0.283SS..EExtended strand (participates in β ladder)trans153.2-162.5178.300000114.8F516 N517F516-G520 WeakPolarHBondContact CA-O 3.49Å; N517-G520 PolarHBondContact N-O 3.44Å; N517-G520 PolarHBondContact O-N 3.23Å; N517-G520 PolarHBondContact OD1-N 3.03Å
521V86.8Confident88.5Confident79 Ų7957.7 Ų57.748%0.47930%0.296SS..EExtended strand (participates in β ladder)trans-111.9149.5-177.2-56.70000111.8K514 A515 F516K514-V521 HydrophobicContact CD-CB 4.48Å; A515-V521 CarbonylContact O-C 3.6Å; A515-V521 WeakPolarHBondContact O-CA 3.36Å; F516-V521 HydrophobicContact CB-CG1 3.95Å
522S90.3Very high88.2Confident5 Ų557.8 Ų57.84%0.03530%0.297CS..PPolyproline II helixtrans-73.5161.816980.10000111P441 A515P441-S522 WeakPolarHBondContact O-CB 3.33Å; A515-S522 PolarHBondContact N-OG 3.34Å; A515-S522 PolarHBondContact O-N 3.01Å
523P88.8Confident87.7Confident89 Ų8957.2 Ų57.258%0.57830%0.301SS*.PPolyproline II helixtrans-55.8149.1156.5-1931.3000110.7T443T443-P523 WeakPolarHBondContact CG2-O 3.49Å; T443-P523 WeakPolarHBondContact OG1-CD 3.42Å; T443-P523 PolarHBondContact OG1-O 3.2Å
524Y90.3Very high86.8Confident87 Ų8763.2 Ų63.234%0.34133%0.33SS..PPolyproline II helixtrans-62.2153.7175.3-65-85.3000112.3T443 E478 R512 V513 K514T443-Y524 WeakPolarHBondContact CG2-O 3.29Å; E478-Y524 VanDerWaalsContact OE1-CE1 3.32Å; E478-Y524 WeakPolarHBondContact OE1-CE1 3.24Å; E478-Y524 PolarHBondContact OE1-OH 3.37Å; E478-Y524 WeakPolarHBondContact OE2-CE1 3.05Å; E478-Y524 PolarHBondContact OE2-OH 3.04Å; R512-Y524 HydrophobicContact CB-CD1 4.21Å; R512-Y524 HydrophobicContact CG-CD1 3.66Å; R512-Y524 HydrophobicContact CG-CE1 4.09Å; R512-Y524 HydrophobicContact CG-CG 4.32Å; V513-Y524 CarbonylContact O-C 3.59Å; V513-Y524 WeakPolarHBondContact O-CA 3.23Å; K514-Y524 HydrophobicContact CB-CD1 3.9Å; K514-Y524 HydrophobicContact CB-CE1 4.12Å; K514-Y524 HydrophobicContact CB-CG 4.45Å; K514-Y524 HydrophobicContact CD-CD1 4.25Å; K514-Y524 HydrophobicContact CD-CE1 3.56Å; K514-Y524 HydrophobicContact CG-CD1 4.26Å; K514-Y524 HydrophobicContact CG-CE1 3.98Å; K514-Y524 PolarHBondContact NZ-OH 3.48Å
525S91.9Very high85.3Confident13 Ų1367.5 Ų67.59%0.09135%0.353CS..PPolyproline II helixtrans-54.9165.8162.770.80000111.5P444 L446 V513 T527P444-S525 WeakPolarHBondContact O-CB 3.33Å; L446-S525 WeakPolarHBondContact CD1-OG 3.4Å; V513-S525 PolarHBondContact N-OG 3.42Å; V513-S525 PolarHBondContact O-N 3.21Å; S525-T527 PolarHBondContact O-N 3.46Å
526K87.2Confident83.6Confident197 Ų19772.2 Ų72.286%0.85738%0.382SS*.PPolyproline II helixtrans-54.6141.4158-66.9-177.4178.6-179.40108.9
527T89.9Confident81.4Confident71 Ų7177.7 Ų77.744%0.43641%0.414SS..PPolyproline II helixtrans-66.3134.2173.7-50.10000109.9F487 N510 A511 S525F487-T527 HydrophobicContact CZ-CG2 4.45Å; N510-T527 HydrophobicContact CB-CG2 3.71Å; A511-T527 CarbonylContact O-C 3.59Å; A511-T527 WeakPolarHBondContact O-CA 3.49Å; S525-T527 PolarHBondContact O-N 3.46Å
528L90.1Very high79.2Confident30 Ų3082.3 Ų82.316%0.15745%0.447CS..EExtended strand (participates in β ladder)trans-104.8127.1171172.955.4000108.6L446 L448 C451 L460 A511 L530L446-L528 HydrophobicContact CD1-CB 3.76Å; L446-L528 HydrophobicContact CD1-CD2 4.37Å; L448-L528 HydrophobicContact CD2-CD1 3.69Å; L448-L528 HydrophobicContact CD2-CD2 3.87Å; L448-L528 HydrophobicContact CD2-CG 4.33Å; C451-L528 HydrophobicContact CB-CD2 4Å; L460-L528 HydrophobicContact CD2-CD2 3.74Å; A511-L528 PolarHBondContact N-O 2.96Å; A511-L528 PolarHBondContact O-N 3.27Å; L528-L530 HydrophobicContact CD1-CD2 4.39Å; L528-L530 HydrophobicContact CD2-CD2 3.99Å; L528-L530 HydrophobicContact CG-CD2 3.86Å; L528-L530 HydrophobicContact CG-CG 4.26Å
529V89.5Confident77.4Confident88 Ų8882.3 Ų82.353%0.53345%0.45SS..EExtended strand (participates in β ladder)trans-88.9132173.2-172.40000108.6T508 Y509T508-V529 HydrophobicContact CG2-CG1 3.47Å; T508-V529 VanDerWaalsContact CG2-CG1 3.47Å; Y509-V529 CarbonylContact O-C 3.59Å; Y509-V529 WeakPolarHBondContact O-CA 3.24Å
530L86.8Confident75.8Confident18 Ų1888.2 Ų88.29%0.09447%0.474CS..EExtended strand (participates in β ladder)trans-126.2150.9178.8-60.7177.6000109.4T453 A458 L460 T508 Y509 A511 L528T453-L530 HydrophobicContact CG2-CB 3.91Å; T453-L530 HydrophobicContact CG2-CD1 4.38Å; T453-L530 HydrophobicContact CG2-CD2 4.39Å; T453-L530 HydrophobicContact CG2-CG 4.48Å; A458-L530 HydrophobicContact CB-CD1 3.85Å; L460-L530 HydrophobicContact CD1-CD1 4.04Å; L460-L530 HydrophobicContact CD2-CD1 4.06Å; L460-L530 HydrophobicContact CG-CD1 4.18Å; T508-L530 CarbonylContact C-O 3.56Å; T508-L530 WeakPolarHBondContact CA-O 3.47Å; Y509-L530 PolarHBondContact N-O 3.02Å; Y509-L530 PolarHBondContact O-N 2.94Å; A511-L530 HydrophobicContact CB-CD1 4.32Å; L528-L530 HydrophobicContact CD1-CD2 4.39Å; L528-L530 HydrophobicContact CD2-CD2 3.99Å; L528-L530 HydrophobicContact CG-CD2 3.86Å; L528-L530 HydrophobicContact CG-CG 4.26Å
531Q87.1Confident73.6Confident107 Ų10796 Ų9650%0.550%0.503SS..EExtended strand (participates in β ladder)trans-128127.8172-170.2176.8-5.900109.4T453 N506 S507T453-Q531 VanDerWaalsContact CB-O 3.27Å; T453-Q531 WeakPolarHBondContact CB-O 3.37Å; T453-Q531 WeakPolarHBondContact CG2-O 3.4Å; T453-Q531 PolarHBondContact OG1-O 3.16Å; N506-Q531 PolarHBondContact OD1-NE2 3.14Å; S507-Q531 WeakPolarHBondContact O-CA 3.36Å
532T85.8Confident70.8Confident3 Ų397.7 Ų97.72%0.01851%0.513CS..PPolyproline II helixtrans-74.1154.2170.445.40000110.4N455 L503 H504 N506 S507 Y509N455-T532 WeakPolarHBondContact O-CB 3.48Å; L503-T532 HydrophobicContact CB-CG2 3.85Å; L503-T532 HydrophobicContact CD1-CG2 4.02Å; H504-T532 WeakPolarHBondContact O-CB 3.24Å; H504-T532 WeakPolarHBondContact O-CG2 3.48Å; H504-T532 PolarHBondContact O-OG1 3.48Å; N506-T532 PolarHBondContact N-OG1 2.86Å; S507-T532 PolarHBondContact N-OG1 3.06Å; S507-T532 PolarHBondContact O-N 3.18Å; S507-T532 PolarHBondContact O-OG1 2.98Å; Y509-T532 HydrophobicContact CD2-CG2 4.21Å; Y509-T532 HydrophobicContact CE2-CG2 4.09Å
533S83.8Confident67.9Low46 Ų46105 Ų10532%0.32255%0.552SS.*PPolyproline II helixtrans-71.1168179.272.70000111.4N455 F505 N506N455-S533 VanDerWaalsContact CA-OG 3.29Å; N455-S533 WeakPolarHBondContact CA-OG 3.47Å; N455-S533 PolarHBondContact O-N 2.96Å; F505-S533 CarbonylContact C-O 3.6Å; F505-S533 WeakPolarHBondContact CA-O 3.42Å; F505-S533 WeakPolarHBondContact CB-O 3.47Å; N506-S533 PolarHBondContact N-O 3.39Å
534E75.6Confident65.6Low127 Ų127106.3 Ų106.359%0.59356%0.56SS**PPolyproline II helixtrans-65.1156.3168-51-162.613200110.7N506N506-E534 HydrophobicContact CB-CG 4.26Å; N506-E534 PolarHBondContact ND2-OE1 3.45Å
535D63.4Low62.7Low106 Ų106110.8 Ų110.857%0.56758%0.581SS**PPolyproline II helixtrans-79.5118.6-179.9-159.5-9.3000109.3F505F505-D535 HydrophobicContact CB-CB 3.9Å; F505-D535 HydrophobicContact CD1-CB 4.18Å; F505-D535 HydrophobicContact CD2-CB 3.71Å; F505-D535 VanDerWaalsContact CD2-OD2 3.27Å; F505-D535 WeakPolarHBondContact CD2-OD2 3.48Å; F505-D535 HydrophobicContact CE2-CB 4.2Å; F505-D535 WeakPolarHBondContact CE2-OD1 3.44Å; F505-D535 WeakPolarHBondContact CE2-OD2 3.43Å; F505-D535 HydrophobicContact CG-CB 3.69Å
536T56.8Low60.2Low100 Ų100116.3 Ų116.361%0.61362%0.617SS**  trans-125.3101-179.660.10000109.6S538T536-S538 PolarHBondContact O-N 2.83Å
537D43.3Very low57.5Low168 Ų168112.2 Ų112.290%0.89861%0.608SS**  trans-52.7110171-86.4-48.3000110.5
538S43Very low55Low113 Ų113114.8 Ų114.879%0.7963%0.626SS**  trans-109.6105.9172.3650000109.5T536T536-S538 PolarHBondContact O-N 2.83Å
539E39.7Very low52Low190 Ų190118.3 Ų118.389%0.88865%0.653SS**  trans-59152.7-176-61.9-178.7116.500113.7
540E42.1Very low49.1Very low190 Ų190121 Ų12189%0.88866%0.66SS**  trans-65.4140.3178.5-59.8-175.6113.100113.3
541Q33Very low46.2Very low189 Ų189129.2 Ų129.288%0.88369%0.69SS**  trans-130.981.2156.6-70-163300113.1
542T28.9Very low43.2Very low114 Ų114131.7 Ų131.770%0.69971%0.705SS**  trans50.5103.6137.759.40000120.9
543L29.4Very low41.4Very low160 Ų160136.6 Ų136.684%0.83874%0.737SS**  54.7161.6117.8-64.9175.8000121.7
544P40.1Very low38.5Very low115 Ų115143 Ų14375%0.74777%0.767SS**  cis-128.8172.8-2.335.2-16.5000116.2
545F30.3Very low36.1Very low181 Ų181147.9 Ų147.979%0.79478%0.78SS**  trans-74.6164.3166.8-85.6-94.6000113.3
546P37.7Very low34.3Very low130 Ų130153.5 Ų153.584%0.84479%0.793SS**  -134.6164.896.629.9-14000115.4
547V31.8Very low32.8Very low111 Ų111156.3 Ų156.367%0.67380%0.802SS**  trans-96.1163-173.8-148.50000111.5
548P36.6Very low32.2Very low124 Ų124153 Ų15381%0.80579%0.792SS**  -147.5122102.335.2-17.4000117.1
549S28.3Very low32Very low104 Ų104152.8 Ų152.873%0.72779%0.787SS**  trans30.4135.7131.3-600000125.3
550E28.2Very low31.3Very low146 Ų146152.9 Ų152.968%0.68279%0.785SS**  trans98.7125.1136.1-81.6-154.1142.200124.1
551R26.2Very low30.4Very low190 Ų190148.4 Ų148.472%0.71778%0.775SS**  trans64.7107.8144.6-61.8178.4-161.3-148.35.8121.5
552L24.4Very low30Very low158 Ų158144.1 Ų144.183%0.82777%0.766SS**  38.3152.6108.2-64.5171.5000120.3
553P46.9Very low29.8Very low106 Ų106144.6 Ų144.669%0.68877%0.769SS**  -141.5132.9-50.635.7-17.3000112.3
554L23.3Very low29.5Very low180 Ų180143.9 Ų143.994%0.94277%0.765SS**  trans-124.9148.7-172.2-82.8179.4000120
555R24.4Very low28.7Very low230 Ų230144.2 Ų144.287%0.86876%0.76SS**  trans-73.5145-173.8-69.6168.3167.5169.9-5.4113.5
556R26.5Very low28.3Very low225 Ų225141.1 Ų141.185%0.84975%0.752SS**  31.8126.8120.9-118.6-168.7-160.2-170.76.8118.8
557M24.8Very low27.6Very low159 Ų159142 Ų14278%0.78375%0.745SS**  trans107.6119.7143.7-53.1-101.556.900118.7
558S30.8Very low27.8Very low99 Ų99142.2 Ų142.269%0.69275%0.748SS**  trans-29.1152145.4-152.90000113.7
559P39.8Very low27.1Very low107 Ų107141 Ų14170%0.69574%0.742SS**  cis-155.9171.945.143.3-21.5000121.9
560F23.7Very low27Very low192 Ų192144.4 Ų144.484%0.84274%0.744SS**  trans57125.3149.5-91.8-75.2000123.4
561S22.8Very low27.5Very low96 Ų96143.6 Ų143.667%0.67175%0.752SS**  trans72.7107141.8-83.50000123.9
562S25Very low27.6Very low99 Ų99137.5 Ų137.569%0.69275%0.748SS**  65.5122.9114.8-49.50000121.3
563T24.1Very low27.7Very low124 Ų124142 Ų14276%0.76175%0.754SS**  174.9136.8109.526.80000114.9
564L23.6Very low26.6Very low146 Ų146141.6 Ų141.676%0.76475%0.753SS**  trans63.7158.5144.6-57.6170.8000117.7
565N23.4Very low26.6Very low121 Ų121141.8 Ų141.865%0.64774%0.743SS**  cis-167.1172.8-1-114.3-2.8000108.4
566L23.1Very low26.6Very low117 Ų117140.4 Ų140.461%0.61374%0.744SS**  cis-163.1131.3-5.2-131172.6000110.1
567Q23.1Very low26.4Very low149 Ų149133.9 Ų133.970%0.69673%0.726SS**  trans59.8169151-89.9179.6-14.800121.4
568P33.9Very low26.3Very low114 Ų114134 Ų13474%0.7472%0.722SS**  cis-97.6-158.52.227.2-6.8000112.1
569S23.9Very low25.9Very low98 Ų98139.3 Ų139.369%0.68573%0.727SS**  cis-149-162.416.2-57.50000112.9
570F25.9Very low25Very low176 Ų176139.6 Ų139.677%0.77273%0.732SS**  trans-148.2177.4-174.1-74.2-77.5000110.8
571P38.9Very low24.8Very low130 Ų130135.7 Ų135.784%0.84473%0.728SS**  cis-126.7176.9-526.2-3.6000114.4
572G26.8Very low25.9Very low61 Ų61135.9 Ų135.963%0.62973%0.727SS**  cis151.6160.2-11.200000115.3
573R26.3Very low25.9Very low253 Ų253140 Ų14096%0.95574%0.735SS**  trans70.2150.6167.3-71.5179.1177.9-110.8-1118.1
574S24.1Very low25.9Very low97 Ų97142.6 Ų142.668%0.67874%0.738SS**  cis-158.3124.2-14.3-177.90000108.3
575Y23.9Very low25.9Very low184 Ų184143.5 Ų143.572%0.72274%0.743SS**  78.9117.165.9-133.9-82.3000116.1D577Y575-D577 WeakPolarHBondContact CE1-OD2 3.18Å
576F24.6Very low26.1Very low202 Ų202142.5 Ų142.589%0.88675%0.745SS**  trans-163.3143.3139.5-119.8-74.2000111.8
577D22.5Very low26.2Very low88 Ų88145.2 Ų145.247%0.47176%0.76SS.*  trans-93.9159.7-175.1-54.3-69.5000114.1Y575Y575-D577 WeakPolarHBondContact CE1-OD2 3.18Å
578F22.4Very low26.2Very low161 Ų161146.2 Ų146.271%0.70676%0.764SS**  175.4132.696.5-105.4-65.9000117.2
579R21.8Very low25.7Very low210 Ų210145.1 Ų145.179%0.79276%0.759SS**  trans62.6136.7140-101.4170.1-153.7-137.44.5123.5
580S20.8Very low25.8Very low114 Ų114146.5 Ų146.580%0.79777%0.769SS**  trans91.7129.2139.4-62.70000120.1
581S20.5Very low25.8Very low110 Ų110146.3 Ų146.377%0.76978%0.775SS**  trans-109.5176.2176.4174.70000108.5
582P46Very low25.2Very low99 Ų99149.2 Ų149.264%0.64378%0.777SS**  cis-122.2-177.6-46.334.6-20.9000111
583H24.6Very low25.1Very low186 Ų186151.7 Ų151.786%0.86179%0.785SS**  trans-162.8151.6132-98.9-42.8000112.7
584Q24.3Very low25.1Very low178 Ų178147.5 Ų147.583%0.83278%0.781SS**  trans-75.6153.1164-58.1159.5-68.100109.3
585L22.5Very low25.1Very low165 Ų165151.1 Ų151.186%0.86479%0.792SS**  -173.1160116.8-102164.7000112.2
586S29.1Very low25.1Very low100 Ų100147 Ų14770%0.69980%0.797SS**  trans-56.5152.7170.453.90000113.4
587L23.4Very low25.5Very low175 Ų175143.7 Ų143.792%0.91680%0.795SS**  trans-135.5136.1146-104.3177.8000112.4
588H24.1Very low25.5Very low169 Ų169143.1 Ų143.178%0.78281%0.81SS**  trans-102.7153.2172.5175.3-89.3000107.8
589S24.2Very low25.6Very low92 Ų92141.6 Ų141.664%0.64382%0.818SS**  trans64.4129.6170.2162.80000118.6
590S24.7Very low25.6Very low126 Ų126139.2 Ų139.288%0.88182%0.821SS**  trans-154.873.8149.1-80.60000111.6
591L27.2Very low25.9Very low172 Ų172143.8 Ų143.890%0.90183%0.827SS**  trans-9680.8162.7-106178000109.5
592Q26.5Very low26Very low192 Ų192147.3 Ų147.390%0.89783%0.831SS**  trans-173.196.4161.4-111.8168.420.800112.9
593S23.8Very low25Very low112 Ų112149.2 Ų149.278%0.78384%0.841SS**  trans-174.3126.8141.6-173.30000110.3
594L25.7Very low25Very low166 Ų166149.4 Ų149.487%0.86984%0.842SS**  trans164.8112.5134.7-91.7167.9000108.4
595N23.9Very low24.9Very low172 Ų172146.7 Ų146.792%0.9284%0.843SS**  trans-153.888.2178.2-140.2-1.7000109.8
596A25.5Very low25Very low99 Ų99143.2 Ų143.282%0.81884%0.838SS**  trans-156.5150.1171.100000109.8
597P31.6Very low25Very low132 Ų132144.2 Ų144.286%0.85784%0.842SS**  trans-115.9164.4-155.340.5-30.9000116.5
598G23Very low25Very low75 Ų75145.1 Ų145.177%0.77384%0.835SS**  trans112.8135.7178.900000111.3
599C24.1Very low25.4Very low130 Ų130142.5 Ų142.588%0.87884%0.836SS**  cis-136.4164.814-640000112
600N23.3Very low25.7Very low159 Ų159144.3 Ų144.385%0.8583%0.834SS**  trans-74.5139177.1-65.4-5.5000112.5
601F25.3Very low26.1Very low211 Ų211146.3 Ų146.393%0.92583%0.834SS**  trans-147.7142.7139.1-127.1-85000109.3
602E24.3Very low26.5Very low183 Ų183142.8 Ų142.886%0.85582%0.819SS**  trans-88.3135.4-172.8-61.5174.911700111.7
603T24Very low26.9Very low140 Ų140137.9 Ų137.986%0.85980%0.799SS**  trans-151.1144.5158.8-21.90000111.5
604Q24.2Very low27.6Very low189 Ų189138 Ų13888%0.88379%0.79SS**  trans-57.8155.9-159.2-67.8158.5-17.200117.2
605S23.5Very low28.1Very low122 Ų122137.9 Ų137.985%0.85378%0.782SS**  trans-70.2130.7-174.954.10000115.8
606A24.7Very low29Very low92 Ų92136.8 Ų136.876%0.7677%0.769SS**  trans-151.3120.5148.700000109.8Y608A606-Y608 PolarHBondContact O-N 3.08Å
607P28.4Very low29.6Very low121 Ų121138 Ų13879%0.78676%0.762SS**  trans-83.7105.9-178.331.4-32.4000111.8S609P607-S609 VanDerWaalsContact C-N 3.28Å; P607-S609 PolarHBondContact O-N 2.86Å
608Y23.7Very low30.1Very low194 Ų194138.7 Ų138.776%0.76176%0.757SS**  trans-76.178.2168.8-171-94.6000110.5A606 Q610A606-Y608 PolarHBondContact O-N 3.08Å; Y608-Q610 VanDerWaalsContact C-N 3.28Å; Y608-Q610 HydrophobicContact CD1-CB 4.24Å; Y608-Q610 HydrophobicContact CE1-CB 3.66Å; Y608-Q610 PolarHBondContact O-N 2.93Å; Y608-Q610 PolarHBondContact OH-OE1 2.84Å
609S31.2Very low31.7Very low114 Ų114138.9 Ų138.980%0.79775%0.751SS**  trans-83.767.6177.762.20000111.6P607P607-S609 VanDerWaalsContact C-N 3.28Å; P607-S609 PolarHBondContact O-N 2.86Å
610Q31.2Very low34.1Very low130 Ų130134.8 Ų134.861%0.60772%0.722SS**  trans-127.550.7172.2-131.2178.617.300112.9Y608 V612Y608-Q610 VanDerWaalsContact C-N 3.28Å; Y608-Q610 HydrophobicContact CD1-CB 4.24Å; Y608-Q610 HydrophobicContact CE1-CB 3.66Å; Y608-Q610 PolarHBondContact O-N 2.93Å; Y608-Q610 PolarHBondContact OH-OE1 2.84Å; Q610-V612 VanDerWaalsContact C-N 3.31Å; Q610-V612 PolarHBondContact O-N 3.04Å
611L32.3Very low36.6Very low168 Ų168128.2 Ų128.288%0.8869%0.69SS**  trans-62.299.4147.1-82.2168000107.4D613L611-D613 PolarHBondContact O-N 2.76Å
612V35.9Very low39.6Very low97 Ų97127.5 Ų127.559%0.58868%0.681SS**  trans-55.8124.7166.2177.50000107.2Q610 I614 L617Q610-V612 VanDerWaalsContact C-N 3.31Å; Q610-V612 PolarHBondContact O-N 3.04Å; V612-I614 PolarHBondContact O-N 3.1Å; V612-L617 HydrophobicContact CG1-CD1 4.12Å
613D36.1Very low42.9Very low90 Ų90119.6 Ų119.648%0.48164%0.644SS.*  trans-65.9103.6-173.2-175.85.3000110.5L611 K615 K616L611-D613 PolarHBondContact O-N 2.76Å; D613-K615 PolarHBondContact O-N 3.35Å; D613-K615 VanDerWaalsContact OD1-CB 3.3Å; D613-K615 WeakPolarHBondContact OD1-CB 3.36Å; D613-K615 PolarHBondContact OD1-N 3.4Å; D613-K616 WeakPolarHBondContact O-CB 3.32Å; D613-K616 PolarHBondContact O-N 2.87Å
614I37.8Very low46.3Very low114 Ų114114 Ų11459%0.58561%0.612SS**Hα-helixtrans-58.4-22.5-179.7-62.4176.4000110.7V612 L617 L618V612-I614 PolarHBondContact O-N 3.1Å; I614-L617 PolarHBondContact O-N 3Å; I614-L618 HydrophobicContact CG2-CD1 4.17Å; I614-L618 HydrophobicContact CG2-CG 4.48Å; I614-L618 WeakPolarHBondContact O-CG 3.48Å; I614-L618 PolarHBondContact O-N 3.23Å; I614-L618 VanDerWaalsContact O-N 3.15Å
615K36.1Very low49.8Very low164 Ų164105.1 Ų105.171%0.71357%0.571SS**Hα-helixtrans-70.5-28.2173.1-62.6178.4177.6175.30113.6D613D613-K615 PolarHBondContact O-N 3.35Å; D613-K615 VanDerWaalsContact OD1-CB 3.3Å; D613-K615 WeakPolarHBondContact OD1-CB 3.36Å; D613-K615 PolarHBondContact OD1-N 3.4Å
616K42.3Very low53.2Low149 Ų149100.4 Ų100.465%0.64854%0.536SS*.Hα-helixtrans-68.5-43.7170.3-90-165.9169.8-167.10110.9D613 L618 A619D613-K616 WeakPolarHBondContact O-CB 3.32Å; D613-K616 PolarHBondContact O-N 2.87Å; K616-L618 VanDerWaalsContact C-N 3.3Å; K616-L618 PolarHBondContact O-N 3.38Å; K616-A619 PolarHBondContact O-N 3.24Å
617L39.5Very low56.4Low125 Ų12599.3 Ų99.365%0.65452%0.521SS*.Hα-helixtrans-63.3-33.4179.3-82.6160.5000113.2V612 I614 A619V612-L617 HydrophobicContact CG1-CD1 4.12Å; I614-L617 PolarHBondContact O-N 3Å; L617-A619 PolarHBondContact O-N 3.49Å
618L41.8Very low59.2Low145 Ų14596.9 Ų96.976%0.75952%0.518SS*.THydrogen-bonded Turntrans-75.6-0.6177.1-70.6169.5000114.7I614 K616I614-L618 HydrophobicContact CG2-CD1 4.17Å; I614-L618 HydrophobicContact CG2-CG 4.48Å; I614-L618 WeakPolarHBondContact O-CG 3.48Å; I614-L618 PolarHBondContact O-N 3.23Å; I614-L618 VanDerWaalsContact O-N 3.15Å; K616-L618 VanDerWaalsContact C-N 3.3Å; K616-L618 PolarHBondContact O-N 3.38Å
619A57.1Low62.1Low79 Ų7988.4 Ų88.465%0.65349%0.487SS*.THydrogen-bonded Turntrans-106.63.1-173.900000114.6K616 L617K616-A619 PolarHBondContact O-N 3.24Å; L617-A619 PolarHBondContact O-N 3.49Å
620V73.3Confident64.9Low44 Ų4484.3 Ų84.327%0.26746%0.46SS..  trans-109.8139.1-169.9-162.20000112.5L782V620-L782 WeakPolarHBondContact CG1-O 3.27Å
621A75.9Confident67.9Low21 Ų2180.6 Ų80.617%0.17444%0.442CS..  trans-79.8126.4-179.200000112.8F659 G781A621-F659 HydrophobicContact CB-CE1 3.48Å; A621-F659 VanDerWaalsContact CB-CE1 3.48Å; A621-F659 HydrophobicContact CB-CZ 3.58Å; A621-G781 PolarHBondContact O-N 3.44Å
622W88Confident70.8Confident197 Ų19777.6 Ų77.675%0.74644%0.436SS*.  trans-104.4133.3166.5-79.870.6000109.9
623F93.6Very high73.6Confident17 Ų1774.4 Ų74.48%0.07542%0.415CS..  trans-159.3170.117664.2-85.8000111.7T657 F659 W666 P766 L778 T780F623-T657 WeakPolarHBondContact CB-OG1 3.42Å; F623-F659 HydrophobicContact CD1-CE2 4.49Å; F623-F659 AromaticContact CD1-CZ 3.82Å; F623-F659 HydrophobicContact CD1-CZ 3.82Å; F623-F659 HydrophobicContact CE1-CE2 4.14Å; F623-F659 AromaticContact CE1-CZ 3.84Å; F623-F659 HydrophobicContact CE1-CZ 3.84Å; F623-W666 HydrophobicContact CE1-CB 4.15Å; F623-W666 HydrophobicContact CE1-CD2 4.35Å; F623-W666 HydrophobicContact CE1-CE3 4.37Å; F623-W666 HydrophobicContact CE1-CG 4.27Å; F623-W666 HydrophobicContact CZ-CB 3.87Å; F623-W666 AromaticContact CZ-CD2 3.81Å; F623-W666 HydrophobicContact CZ-CD2 3.81Å; F623-W666 HydrophobicContact CZ-CE3 4.23Å; F623-W666 AromaticContact CZ-CG 3.64Å; F623-W666 HydrophobicContact CZ-CG 3.64Å; F623-P766 HydrophobicContact CD2-CB 4.49Å; F623-P766 HydrophobicContact CD2-CG 4.2Å; F623-P766 HydrophobicContact CE1-CG 4.09Å; F623-P766 HydrophobicContact CE2-CB 3.57Å; F623-P766 HydrophobicContact CE2-CG 3.5Å; F623-P766 HydrophobicContact CZ-CB 3.81Å; F623-P766 HydrophobicContact CZ-CG 3.45Å; F623-P766 VanDerWaalsContact CZ-CG 3.45Å; F623-L778 HydrophobicContact CD2-CD2 3.86Å; F623-L778 HydrophobicContact CE2-CD1 3.92Å; F623-L778 HydrophobicContact CE2-CD2 3.57Å; F623-L778 HydrophobicContact CE2-CG 4.28Å; F623-L778 HydrophobicContact CZ-CD1 4.12Å; F623-L778 HydrophobicContact CZ-CD2 4.46Å; F623-T780 HydrophobicContact CD1-CG2 3.6Å; F623-T780 HydrophobicContact CD2-CG2 3.92Å; F623-T780 HydrophobicContact CE1-CG2 3.42Å; F623-T780 VanDerWaalsContact CE1-CG2 3.42Å; F623-T780 HydrophobicContact CE2-CG2 3.75Å; F623-T780 HydrophobicContact CG-CG2 3.84Å; F623-T780 HydrophobicContact CZ-CG2 3.49Å; F623-T780 VanDerWaalsContact CZ-CG2 3.49Å; F623-T780 PolarHBondContact N-OG1 3.11Å; F623-T780 VanDerWaalsContact N-OG1 3.11Å; F623-T780 VanDerWaalsContact O-CG2 3.25Å; F623-T780 WeakPolarHBondContact O-CG2 3.41Å; F623-T780 PolarHBondContact O-OG1 3.46Å; F623-T780 VanDerWaalsContact O-OG1 3.11Å
624A96.1Very high76.4Confident22 Ų2271 Ų7118%0.18240%0.397CS..  trans-137.5173.2173.400000109N640 L641 G655 K656A624-N640 HydrophobicContact CB-CB 4.22Å; A624-L641 HydrophobicContact CB-CD2 3.85Å; A624-G655 CarbonylContact O-C 3.59Å; A624-G655 WeakPolarHBondContact O-CA 3.38Å; A624-K656 WeakPolarHBondContact O-CB 3.45Å; A624-K656 PolarHBondContact O-N 2.99Å
625F97.1Very high79.2Confident3 Ų369.7 Ų69.71%0.01339%0.39CS..BIsolated β-bridgetrans-65.4151.2171.2-65.4-65.5000111.6P627 L636 N640 L641 V643 V653 L654 L668 V768 L778F625-P627 WeakPolarHBondContact O-CD 3.46Å; F625-L636 HydrophobicContact CB-CD1 4.15Å; F625-L636 HydrophobicContact CB-CD2 3.86Å; F625-L636 HydrophobicContact CD2-CD2 4.27Å; F625-L636 HydrophobicContact CG-CD2 4.3Å; F625-N640 WeakPolarHBondContact CB-O 3.22Å; F625-N640 VanDerWaalsContact CD2-O 3.26Å; F625-N640 WeakPolarHBondContact CD2-O 2.98Å; F625-N640 PolarHBondContact N-O 3.3Å; F625-N640 WeakPolarHBondContact O-CB 3.49Å; F625-L641 WeakPolarHBondContact CE2-O 3.35Å; F625-V643 HydrophobicContact CD2-CB 4.06Å; F625-V643 HydrophobicContact CD2-CG1 3.91Å; F625-V643 HydrophobicContact CE2-CB 4.03Å; F625-V643 HydrophobicContact CE2-CG1 3.37Å; F625-V643 HydrophobicContact CZ-CG1 3.74Å; F625-V653 HydrophobicContact CB-CG2 3.86Å; F625-V653 HydrophobicContact CD1-CB 4.3Å; F625-V653 HydrophobicContact CD1-CG1 3.63Å; F625-V653 HydrophobicContact CD1-CG2 3.76Å; F625-V653 HydrophobicContact CE1-CG1 3.67Å; F625-V653 HydrophobicContact CG-CG1 4.31Å; F625-V653 HydrophobicContact CG-CG2 4Å; F625-V653 HydrophobicContact CZ-CG1 4.37Å; F625-L654 WeakPolarHBondContact CA-O 3.47Å; F625-L668 HydrophobicContact CZ-CD2 4.04Å; F625-V768 HydrophobicContact CE1-CG2 4.01Å; F625-V768 HydrophobicContact CZ-CG2 4.02Å; F625-L778 HydrophobicContact CD2-CD2 4.31Å; F625-L778 HydrophobicContact CE1-CD2 4.46Å; F625-L778 HydrophobicContact CE2-CB 3.7Å; F625-L778 HydrophobicContact CE2-CD2 4.04Å; F625-L778 HydrophobicContact CE2-CG 4.45Å; F625-L778 HydrophobicContact CZ-CB 4.03Å; F625-L778 HydrophobicContact CZ-CD2 4.13Å
626D95.5Very high82Confident22 Ų2263.7 Ų63.712%0.11837%0.366CS..  trans-97.8104.1-178.8-178.340.3000112.9G628 S629 A630 L654 K656D626-G628 PolarHBondContact O-N 2.82Å; D626-G628 VanDerWaalsContact O-N 3.17Å; D626-G628 PolarHBondContact OD1-N 2.99Å; D626-G628 VanDerWaalsContact OD1-N 3.12Å; D626-S629 PolarHBondContact O-N 3.29Å; D626-S629 VanDerWaalsContact OD2-CB 3.24Å; D626-S629 WeakPolarHBondContact OD2-CB 3.33Å; D626-S629 PolarHBondContact OD2-N 2.98Å; D626-S629 PolarHBondContact OD2-OG 3.45Å; D626-A630 PolarHBondContact O-N 2.93Å; D626-L654 PolarHBondContact N-O 2.94Å; D626-K656 HydrophobicContact CB-CB 3.92Å; D626-K656 HydrophobicContact CB-CD 4.48Å; D626-K656 HydrophobicContact CB-CG 3.98Å; D626-K656 WeakPolarHBondContact OD1-CE 3.33Å
627P92Very high84.5Confident70 Ų7058.8 Ų58.846%0.45535%0.35SS..THydrogen-bonded Turntrans-63.1-18.5172.225.4-34.3000113F625 S629 L636F625-P627 WeakPolarHBondContact O-CD 3.46Å; P627-S629 VanDerWaalsContact C-N 3.28Å; P627-S629 PolarHBondContact O-N 2.95Å; P627-L636 HydrophobicContact CB-CD1 3.98Å
628G87.5Confident87Confident70 Ų7057.4 Ų57.472%0.72234%0.343SS*.THydrogen-bonded Turntrans-73-17178.100000114.4D626D626-G628 PolarHBondContact O-N 2.82Å; D626-G628 VanDerWaalsContact O-N 3.17Å; D626-G628 PolarHBondContact OD1-N 2.99Å; D626-G628 VanDerWaalsContact OD1-N 3.12Å
629S83.6Confident89.4Confident15 Ų1557.2 Ų57.211%0.10534%0.343CS..THydrogen-bonded Turntrans-129-1.7-177.760.50000114.6D626 P627 K690D626-S629 PolarHBondContact O-N 3.29Å; D626-S629 VanDerWaalsContact OD2-CB 3.24Å; D626-S629 WeakPolarHBondContact OD2-CB 3.33Å; D626-S629 PolarHBondContact OD2-N 2.98Å; D626-S629 PolarHBondContact OD2-OG 3.45Å; P627-S629 VanDerWaalsContact C-N 3.28Å; P627-S629 PolarHBondContact O-N 2.95Å; S629-K690 WeakPolarHBondContact O-CD 3.48Å; S629-K690 VanDerWaalsContact O-CE 3.3Å; S629-K690 WeakPolarHBondContact O-CE 3.38Å; S629-K690 PolarHBondContact O-NZ 3.03Å
630A91.1Very high91.2Very high28 Ų2856.1 Ų56.123%0.23133%0.326CS..SBendtrans-65.9154.8173.100000113.2D626 I634 V653D626-A630 PolarHBondContact O-N 2.93Å; A630-I634 HydrophobicContact CB-CB 4Å; A630-I634 HydrophobicContact CB-CG1 4.37Å; A630-I634 HydrophobicContact CB-CG2 3.95Å; A630-V653 HydrophobicContact CB-CG2 4.27Å
631H93.6Very high92.2Very high52 Ų5256.4 Ų56.424%0.24133%0.326CS..  trans-72.7156.2170.3-172.7-98.7000111.2D633 I634 R651 D691H631-D633 IonicContact CE1-OD1 3.16Å; H631-D633 PolarHBondContact CE1-OD1 2.88Å; H631-D633 IonicContact CE1-OD2 2.66Å; H631-D633 PolarHBondContact CE1-OD2 3.36Å; H631-D633 PolarHBondContact ND1-N 2.99Å; H631-D633 IonicContact ND1-OD1 2.66Å; H631-D633 IonicContact ND1-OD2 2.77Å; H631-D633 PolarHBondContact ND1-OD2 3.18Å; H631-D633 VanDerWaalsContact ND1-OD2 3.12Å; H631-D633 PolarHBondContact O-N 3.48Å; H631-I634 HydrophobicContact CB-CG1 4.36Å; H631-I634 WeakPolarHBondContact O-CB 3.43Å; H631-I634 PolarHBondContact O-N 3.19Å; H631-R651 PolarHBondContact ND1-NE 3.44Å; H631-D691 IonicContact CD2-OD1 2.86Å; H631-D691 PolarHBondContact CD2-OD1 3.35Å; H631-D691 IonicContact CG-OD1 2.64Å; H631-D691 IonicContact NE2-OD1 3.15Å
632S92.3Very high93.3Very high106 Ų10655.7 Ų55.774%0.74132%0.32SS*.THydrogen-bonded Turntrans-60.5-20.3-178.355.60000114.9
633D94.5Very high93.7Very high30 Ų3046.3 Ų46.316%0.1628%0.284CS..THydrogen-bonded Turntrans-84.9-14.9179.7-52.8-17000112.2H631 C645 S646 R651H631-D633 IonicContact CE1-OD1 3.16Å; H631-D633 PolarHBondContact CE1-OD1 2.88Å; H631-D633 IonicContact CE1-OD2 2.66Å; H631-D633 PolarHBondContact CE1-OD2 3.36Å; H631-D633 PolarHBondContact ND1-N 2.99Å; H631-D633 IonicContact ND1-OD1 2.66Å; H631-D633 IonicContact ND1-OD2 2.77Å; H631-D633 PolarHBondContact ND1-OD2 3.18Å; H631-D633 VanDerWaalsContact ND1-OD2 3.12Å; H631-D633 PolarHBondContact O-N 3.48Å; D633-C645 CarbonylContact O-C 3.53Å; D633-C645 WeakPolarHBondContact O-CA 3.39Å; D633-S646 WeakPolarHBondContact CA-OG 3.39Å; D633-S646 WeakPolarHBondContact CB-OG 3.44Å; D633-S646 PolarHBondContact O-N 3.17Å; D633-S646 PolarHBondContact O-OG 3.44Å; D633-R651 HydrophobicContact CB-CG 4.21Å; D633-R651 IonicContact OD2-CZ 3.03Å; D633-R651 IonicContact OD2-NE 3.36Å; D633-R651 PolarHBondContact OD2-NE 2.73Å; D633-R651 IonicContact OD2-NH2 3.96Å; D633-R651 PolarHBondContact OD2-NH2 2.91Å
634I96.6Very high93.8Very high18 Ų1846.4 Ų46.49%0.09229%0.286CS..EExtended strand (participates in β ladder)trans-75.2128.4177.1-65.9-67000109.3A630 H631 L636 V643 C645 R651 V653A630-I634 HydrophobicContact CB-CB 4Å; A630-I634 HydrophobicContact CB-CG1 4.37Å; A630-I634 HydrophobicContact CB-CG2 3.95Å; H631-I634 HydrophobicContact CB-CG1 4.36Å; H631-I634 WeakPolarHBondContact O-CB 3.43Å; H631-I634 PolarHBondContact O-N 3.19Å; I634-L636 HydrophobicContact CG2-CD2 3.85Å; I634-L636 HydrophobicContact CG2-CG 3.97Å; I634-V643 HydrophobicContact CD1-CG2 4.45Å; I634-V643 HydrophobicContact CG2-CG2 3.82Å; I634-C645 HydrophobicContact CD1-CB 4.36Å; I634-R651 HydrophobicContact CD1-CB 3.63Å; I634-R651 HydrophobicContact CG1-CB 4.07Å; I634-V653 HydrophobicContact CD1-CB 4.38Å; I634-V653 HydrophobicContact CG2-CB 4.45Å; I634-V653 HydrophobicContact CG2-CG2 4.26Å
635I95.4Very high93.7Very high86 Ų8645.5 Ų45.544%0.44128%0.278SS..EExtended strand (participates in β ladder)trans-111.8117175.5-58.3172.1000107.3T644I635-T644 HydrophobicContact CB-CG2 3.83Å; I635-T644 HydrophobicContact CG2-CG2 4.14Å; I635-T644 PolarHBondContact N-O 2.93Å; I635-T644 PolarHBondContact O-N 2.81Å; I635-T644 VanDerWaalsContact O-O 3.08Å
636L96.1Very high93.5Very high39 Ų3947.9 Ų47.920%0.20430%0.296CS..EExtended strand (participates in β ladder)trans-101.9139.7175.5-60.7177000110.3F625 P627 I634 N640 T642 V643 V653F625-L636 HydrophobicContact CB-CD1 4.15Å; F625-L636 HydrophobicContact CB-CD2 3.86Å; F625-L636 HydrophobicContact CD2-CD2 4.27Å; F625-L636 HydrophobicContact CG-CD2 4.3Å; P627-L636 HydrophobicContact CB-CD1 3.98Å; I634-L636 HydrophobicContact CG2-CD2 3.85Å; I634-L636 HydrophobicContact CG2-CG 3.97Å; L636-N640 HydrophobicContact CB-CB 4.39Å; L636-N640 HydrophobicContact CD1-CB 4.14Å; L636-N640 WeakPolarHBondContact CD1-OD1 3.46Å; L636-T642 WeakPolarHBondContact CA-O 3.45Å; L636-V643 HydrophobicContact CD2-CB 3.64Å; L636-V643 HydrophobicContact CD2-CG2 3.65Å; L636-V653 HydrophobicContact CD2-CG2 4.44Å
637S93.5Very high93.2Very high46 Ų4648 Ų4832%0.32230%0.298SS..EExtended strand (participates in β ladder)trans-139.8179.7173.857.40000109.9D639 N640 L641 T642S637-D639 PolarHBondContact O-N 2.85Å; S637-N640 WeakPolarHBondContact O-CA 3.26Å; S637-N640 PolarHBondContact O-N 3.47Å; S637-L641 PolarHBondContact O-N 2.77Å; S637-T642 PolarHBondContact N-O 3.4Å; S637-T642 PolarHBondContact O-N 2.84Å; S637-T642 VanDerWaalsContact O-N 3.13Å; S637-T642 WeakPolarHBondContact OG-CB 3.48Å; S637-T642 WeakPolarHBondContact OG-CG2 3.41Å
638N92.3Very high93Very high95 Ų9552.1 Ų52.151%0.50831%0.305SS..G310 helixtrans51.858.6176.5-170.420.7000111.9N640 L641 T642N638-N640 PolarHBondContact O-N 2.66Å; N638-L641 VanDerWaalsContact O-CB 3.27Å; N638-L641 WeakPolarHBondContact O-CB 3.36Å; N638-L641 WeakPolarHBondContact O-CG 3.44Å; N638-L641 PolarHBondContact O-N 3.32Å; N638-T642 VanDerWaalsContact CB-OG1 3.24Å; N638-T642 WeakPolarHBondContact CB-OG1 3.5Å; N638-T642 PolarHBondContact ND2-OG1 3.05Å; N638-T642 VanDerWaalsContact ND2-OG1 3.14Å
639D91.5Very high93.1Very high142 Ų14253 Ų5376%0.75929%0.293SS*.G310 helixtrans51.329.8-175.3-63.6-28.7000116.3S637 L641S637-D639 PolarHBondContact O-N 2.85Å; D639-L641 VanDerWaalsContact C-N 3.35Å
640N95.4Very high93.5Very high55 Ų5553.3 Ų53.329%0.29429%0.294SS..G310 helixtrans71.922.8-175.3-40.8-92.4000113.7A624 F625 L636 S637 N638A624-N640 HydrophobicContact CB-CB 4.22Å; F625-N640 WeakPolarHBondContact CB-O 3.22Å; F625-N640 VanDerWaalsContact CD2-O 3.26Å; F625-N640 WeakPolarHBondContact CD2-O 2.98Å; F625-N640 PolarHBondContact N-O 3.3Å; F625-N640 WeakPolarHBondContact O-CB 3.49Å; L636-N640 HydrophobicContact CB-CB 4.39Å; L636-N640 HydrophobicContact CD1-CB 4.14Å; L636-N640 WeakPolarHBondContact CD1-OD1 3.46Å; S637-N640 WeakPolarHBondContact O-CA 3.26Å; S637-N640 PolarHBondContact O-N 3.47Å; N638-N640 PolarHBondContact O-N 2.66Å
641L95.6Very high93.7Very high50 Ų5053.1 Ų53.126%0.26229%0.287SS..THydrogen-bonded Turntrans-89.8-30.3168.3-59.6174.5000111.8A624 F625 S637 N638 D639 L778A624-L641 HydrophobicContact CB-CD2 3.85Å; F625-L641 WeakPolarHBondContact CE2-O 3.35Å; S637-L641 PolarHBondContact O-N 2.77Å; N638-L641 VanDerWaalsContact O-CB 3.27Å; N638-L641 WeakPolarHBondContact O-CB 3.36Å; N638-L641 WeakPolarHBondContact O-CG 3.44Å; N638-L641 PolarHBondContact O-N 3.32Å; D639-L641 VanDerWaalsContact C-N 3.35Å; L641-L778 HydrophobicContact CD2-CD2 4.44Å; L641-L778 VanDerWaalsContact O-CB 3.31Å; L641-L778 WeakPolarHBondContact O-CB 3.43Å; L641-L778 PolarHBondContact O-N 2.89Å
642T97.3Very high93.9Very high7 Ų750.7 Ų50.74%0.04328%0.276CS..EExtended strand (participates in β ladder)trans-100.5136.6177.9-56.80000110.6L636 S637 N638 Q775 V776 T777L636-T642 WeakPolarHBondContact CA-O 3.45Å; S637-T642 PolarHBondContact N-O 3.4Å; S637-T642 PolarHBondContact O-N 2.84Å; S637-T642 VanDerWaalsContact O-N 3.13Å; S637-T642 WeakPolarHBondContact OG-CB 3.48Å; S637-T642 WeakPolarHBondContact OG-CG2 3.41Å; N638-T642 VanDerWaalsContact CB-OG1 3.24Å; N638-T642 WeakPolarHBondContact CB-OG1 3.5Å; N638-T642 PolarHBondContact ND2-OG1 3.05Å; N638-T642 VanDerWaalsContact ND2-OG1 3.14Å; T642-Q775 HydrophobicContact CG2-CG 3.88Å; T642-V776 WeakPolarHBondContact CA-O 3.4Å; T642-T777 WeakPolarHBondContact CB-OG1 3.43Å; T642-T777 WeakPolarHBondContact CG2-OG1 3.5Å; T642-T777 PolarHBondContact OG1-OG1 3.21Å
643V96.9Very high94.1Very high0 Ų045.7 Ų45.70%024%0.241CC..EExtended strand (participates in β ladder)trans-136.9137.8-177.757.30000112.8F625 I634 L636 V653 L770 Q775 V776F625-V643 HydrophobicContact CD2-CB 4.06Å; F625-V643 HydrophobicContact CD2-CG1 3.91Å; F625-V643 HydrophobicContact CE2-CB 4.03Å; F625-V643 HydrophobicContact CE2-CG1 3.37Å; F625-V643 HydrophobicContact CZ-CG1 3.74Å; I634-V643 HydrophobicContact CD1-CG2 4.45Å; I634-V643 HydrophobicContact CG2-CG2 3.82Å; L636-V643 HydrophobicContact CD2-CB 3.64Å; L636-V643 HydrophobicContact CD2-CG2 3.65Å; V643-V653 HydrophobicContact CG1-CG1 4.43Å; V643-V653 HydrophobicContact CG2-CG1 4.11Å; V643-L770 HydrophobicContact CG1-CD2 4Å; V643-L770 HydrophobicContact CG2-CD2 4.41Å; V643-Q775 VanDerWaalsContact O-CA 3.31Å; V643-Q775 WeakPolarHBondContact O-CA 3.29Å; V643-Q775 WeakPolarHBondContact O-CG 3.43Å; V643-V776 HydrophobicContact CG1-CG2 3.65Å; V643-V776 PolarHBondContact N-O 3.03Å; V643-V776 PolarHBondContact O-N 3.36Å
644T95.4Very high94.3Very high19 Ų1944.3 Ų44.312%0.11723%0.234CC..EExtended strand (participates in β ladder)trans-141.9163.6170.9-176.50000108.3I635 R672 V774I635-T644 HydrophobicContact CB-CG2 3.83Å; I635-T644 HydrophobicContact CG2-CG2 4.14Å; I635-T644 PolarHBondContact N-O 2.93Å; I635-T644 PolarHBondContact O-N 2.81Å; I635-T644 VanDerWaalsContact O-O 3.08Å; T644-R672 PolarHBondContact OG1-NH2 2.89Å; T644-V774 PolarHBondContact OG1-O 3.35Å
645C94Very high94.2Very high2 Ų243.5 Ų43.51%0.01423%0.23CC..EExtended strand (participates in β ladder)trans-111.2166.8173.8-177.70000111.4D633 I634 S647 L770 R772D633-C645 CarbonylContact O-C 3.53Å; D633-C645 WeakPolarHBondContact O-CA 3.39Å; I634-C645 HydrophobicContact CD1-CB 4.36Å; C645-S647 PolarHBondContact SG-N 3.05Å; C645-L770 HydrophobicContact CB-CD1 3.67Å; C645-R772 VanDerWaalsContact O-CA 3.25Å; C645-R772 WeakPolarHBondContact O-CA 3.47Å; C645-R772 WeakPolarHBondContact O-CB 3.47Å
646S92.6Very high94.2Very high54 Ų5445.9 Ų45.938%0.37824%0.237SC..SBendtrans-101.5-23.7171.369.70000113.3D633 R772D633-S646 WeakPolarHBondContact CA-OG 3.39Å; D633-S646 WeakPolarHBondContact CB-OG 3.44Å; D633-S646 PolarHBondContact O-N 3.17Å; D633-S646 PolarHBondContact O-OG 3.44Å; S646-R772 WeakPolarHBondContact O-CD 3.07Å
647S90.4Very high94Very high23 Ų2346.6 Ų46.616%0.16124%0.243CC..SBendtrans-83159177.7-169.10000112.6C645 D649 R772C645-S647 PolarHBondContact SG-N 3.05Å; S647-D649 PolarHBondContact OG-N 2.93Å; S647-D649 VanDerWaalsContact OG-N 3.1Å; S647-D649 PolarHBondContact OG-OD2 3.44Å; S647-D649 VanDerWaalsContact OG-OD2 3.08Å; S647-R772 WeakPolarHBondContact O-CB 3.5Å; S647-R772 PolarHBondContact O-N 3.24Å
648Y88.1Confident94Very high157 Ų15745.6 Ų45.662%0.61624%0.24SC*.SBendtrans-81.1-17.4165.3-70.6-69.9000112.8N771Y648-N771 WeakPolarHBondContact CA-ND2 3.46Å; Y648-N771 WeakPolarHBondContact O-CB 3.03Å; Y648-N771 PolarHBondContact O-ND2 2.91Å
649D89.6Confident94.1Very high88 Ų8841.6 Ų41.647%0.47122%0.218SC..SBendtrans-73.7153.9172.3-48.9-45.7000111.3S647 R651 N771S647-D649 PolarHBondContact OG-N 2.93Å; S647-D649 VanDerWaalsContact OG-N 3.1Å; S647-D649 PolarHBondContact OG-OD2 3.44Å; S647-D649 VanDerWaalsContact OG-OD2 3.08Å; D649-R651 IonicContact OD2-CZ 3.77Å; D649-R651 IonicContact OD2-NH1 2.66Å; D649-R651 PolarHBondContact OD2-NH1 3.49Å; D649-R651 IonicContact OD2-NH2 3.09Å; D649-R651 PolarHBondContact OD2-NH2 3.49Å; D649-N771 VanDerWaalsContact O-CB 3.28Å; D649-N771 WeakPolarHBondContact O-CB 3.38Å
650D91.8Very high94.1Very high22 Ų2238.6 Ų38.612%0.11821%0.208CC..  trans-63.6137.3166.6-56-56.7000110.9D691 M693D650-D691 CarbonylContact O-C 3.27Å; D650-M693 HydrophobicContact CB-CB 4.14Å; D650-M693 WeakPolarHBondContact OD2-CE 3.35Å
651R95.8Very high93.8Very high24 Ų2443.7 Ų43.79%0.09123%0.228CC..EExtended strand (participates in β ladder)trans-131.8130.4171.8-63.6-65.4-176.4-108.8-6.3110.9H631 D633 I634 D649 K690 S769 L770H631-R651 PolarHBondContact ND1-NE 3.44Å; D633-R651 HydrophobicContact CB-CG 4.21Å; D633-R651 IonicContact OD2-CZ 3.03Å; D633-R651 IonicContact OD2-NE 3.36Å; D633-R651 PolarHBondContact OD2-NE 2.73Å; D633-R651 IonicContact OD2-NH2 3.96Å; D633-R651 PolarHBondContact OD2-NH2 2.91Å; I634-R651 HydrophobicContact CD1-CB 3.63Å; I634-R651 HydrophobicContact CG1-CB 4.07Å; D649-R651 IonicContact OD2-CZ 3.77Å; D649-R651 IonicContact OD2-NH1 2.66Å; D649-R651 PolarHBondContact OD2-NH1 3.49Å; D649-R651 IonicContact OD2-NH2 3.09Å; D649-R651 PolarHBondContact OD2-NH2 3.49Å; R651-K690 CarbonylContact C-O 3.57Å; R651-K690 VanDerWaalsContact CA-O 3.28Å; R651-K690 WeakPolarHBondContact CA-O 3.28Å; R651-S769 VanDerWaalsContact O-CA 3.29Å; R651-S769 WeakPolarHBondContact O-CA 3.34Å; R651-L770 PolarHBondContact N-O 2.6Å; R651-L770 PolarHBondContact O-N 3.22Å
652V96.5Very high93.5Very high1 Ų142.4 Ų42.41%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-81.4134.1175-175.20000110.8L654 V688 M689 K690 V692 L694 V768V652-L654 HydrophobicContact CG1-CD2 4.2Å; V652-V688 HydrophobicContact CG1-CG1 4.15Å; V652-M689 VanDerWaalsContact CG2-O 3.31Å; V652-M689 WeakPolarHBondContact CG2-O 3.45Å; V652-K690 HydrophobicContact CB-CG 4.42Å; V652-K690 PolarHBondContact N-O 3.3Å; V652-V692 WeakPolarHBondContact CG2-O 3.4Å; V652-L694 HydrophobicContact CG1-CD1 3.82Å; V652-L694 HydrophobicContact CG2-CB 4.48Å; V652-L694 HydrophobicContact CG2-CD1 4.16Å; V652-V768 CarbonylContact C-O 3.48Å; V652-V768 WeakPolarHBondContact CA-O 3.39Å
653V97.4Very high93.2Very high1 Ų144.3 Ų44.31%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-116.4145.3162.967.70000109.9F625 A630 I634 L636 V643 A767 V768F625-V653 HydrophobicContact CB-CG2 3.86Å; F625-V653 HydrophobicContact CD1-CB 4.3Å; F625-V653 HydrophobicContact CD1-CG1 3.63Å; F625-V653 HydrophobicContact CD1-CG2 3.76Å; F625-V653 HydrophobicContact CE1-CG1 3.67Å; F625-V653 HydrophobicContact CG-CG1 4.31Å; F625-V653 HydrophobicContact CG-CG2 4Å; F625-V653 HydrophobicContact CZ-CG1 4.37Å; A630-V653 HydrophobicContact CB-CG2 4.27Å; I634-V653 HydrophobicContact CD1-CB 4.38Å; I634-V653 HydrophobicContact CG2-CB 4.45Å; I634-V653 HydrophobicContact CG2-CG2 4.26Å; L636-V653 HydrophobicContact CD2-CG2 4.44Å; V643-V653 HydrophobicContact CG1-CG1 4.43Å; V643-V653 HydrophobicContact CG2-CG1 4.11Å; V653-A767 WeakPolarHBondContact O-CA 3.48Å; V653-V768 HydrophobicContact CG1-CB 4.13Å; V653-V768 PolarHBondContact N-O 3.26Å; V653-V768 PolarHBondContact O-N 3.18Å; V653-V768 VanDerWaalsContact O-N 3.13Å
654L97.7Very high93Very high2 Ų245.9 Ų45.91%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-110.1148.5176.1-63.9-175.9000111.4F625 D626 V652 A684 M686 V688 F765 P766 A767F625-L654 WeakPolarHBondContact CA-O 3.47Å; D626-L654 PolarHBondContact N-O 2.94Å; V652-L654 HydrophobicContact CG1-CD2 4.2Å; L654-A684 HydrophobicContact CD2-CB 4.02Å; L654-M686 HydrophobicContact CD1-SD 4.31Å; L654-V688 HydrophobicContact CD1-CG1 4.24Å; L654-V688 HydrophobicContact CD2-CG1 4.09Å; L654-V688 HydrophobicContact CG-CG1 4.41Å; L654-F765 HydrophobicContact CB-CB 4.45Å; L654-F765 HydrophobicContact CD2-CB 4.34Å; L654-P766 CarbonylContact C-O 3.56Å; L654-P766 WeakPolarHBondContact CA-O 3.47Å; L654-A767 HydrophobicContact CD2-CB 3.66Å
655G95.9Very high92.9Very high1 Ų145.6 Ų45.61%0.0124%0.242CC..BIsolated β-bridgetrans-68.2146.8162.500000111.1A624 T657 F765 P766A624-G655 CarbonylContact O-C 3.59Å; A624-G655 WeakPolarHBondContact O-CA 3.38Å; G655-T657 VanDerWaalsContact C-N 3.27Å; G655-T657 PolarHBondContact O-N 3.4Å; G655-F765 WeakPolarHBondContact O-CD1 2.95Å; G655-P766 PolarHBondContact N-O 2.82Å
656K93.8Very high93Very high135 Ų13545.7 Ų45.759%0.58724%0.242SC*.SBendtrans-75.4-12.8-175.2-159.5169.1-169.8172.70114.7A624 D626A624-K656 WeakPolarHBondContact O-CB 3.45Å; A624-K656 PolarHBondContact O-N 2.99Å; D626-K656 HydrophobicContact CB-CB 3.92Å; D626-K656 HydrophobicContact CB-CD 4.48Å; D626-K656 HydrophobicContact CB-CG 3.98Å; D626-K656 WeakPolarHBondContact OD1-CE 3.33Å
657T93.4Very high93.2Very high55 Ų5545 Ų4534%0.33723%0.233SC..SBendtrans-115129.9-179.2-570000109.5F623 G655 F659 P766F623-T657 WeakPolarHBondContact CB-OG1 3.42Å; G655-T657 VanDerWaalsContact C-N 3.27Å; G655-T657 PolarHBondContact O-N 3.4Å; T657-F659 HydrophobicContact CG2-CD1 4.44Å; T657-F659 HydrophobicContact CG2-CE1 3.82Å; T657-F659 HydrophobicContact CG2-CZ 4.43Å; T657-P766 WeakPolarHBondContact O-CD 3.49Å
658G92.9Very high93.5Very high24 Ų2444 Ų4425%0.24723%0.226CC..  trans-105.6141.5176.400000112.5F764G658-F764 CarbonylContact C-O 3.51Å; G658-F764 VanDerWaalsContact CA-O 3.3Å; G658-F764 WeakPolarHBondContact CA-O 3.46Å
659F94.2Very high94Very high11 Ų1138.1 Ų38.15%0.04821%0.206CC..BIsolated β-bridgetrans-106.4137.1-178.1-53.4-51.4000111.8A621 F623 T657 H664 W666 L736 L738 L763 F764 P766A621-F659 HydrophobicContact CB-CE1 3.48Å; A621-F659 VanDerWaalsContact CB-CE1 3.48Å; A621-F659 HydrophobicContact CB-CZ 3.58Å; F623-F659 HydrophobicContact CD1-CE2 4.49Å; F623-F659 AromaticContact CD1-CZ 3.82Å; F623-F659 HydrophobicContact CD1-CZ 3.82Å; F623-F659 HydrophobicContact CE1-CE2 4.14Å; F623-F659 AromaticContact CE1-CZ 3.84Å; F623-F659 HydrophobicContact CE1-CZ 3.84Å; T657-F659 HydrophobicContact CG2-CD1 4.44Å; T657-F659 HydrophobicContact CG2-CE1 3.82Å; T657-F659 HydrophobicContact CG2-CZ 4.43Å; F659-H664 AromaticContact CD1-CE1 3.61Å; F659-H664 AromaticContact CD1-CG 3.86Å; F659-H664 AromaticContact CD1-ND1 3.6Å; F659-H664 AromaticContact CD1-NE2 3.87Å; F659-H664 HydrophobicContact CD2-CB 4.08Å; F659-H664 AromaticContact CD2-CG 3.95Å; F659-H664 AromaticContact CE1-ND1 3.69Å; F659-H664 HydrophobicContact CE2-CB 4.12Å; F659-H664 HydrophobicContact CG-CB 4.39Å; F659-H664 AromaticContact CG-CD2 3.75Å; F659-H664 AromaticContact CG-CG 3.76Å; F659-H664 AromaticContact CG-NE2 3.97Å; F659-H664 HydrophobicContact CZ-CB 4.49Å; F659-W666 HydrophobicContact CD2-CZ3 4.14Å; F659-W666 HydrophobicContact CE2-CE3 4.2Å; F659-W666 HydrophobicContact CE2-CH2 4.49Å; F659-W666 AromaticContact CE2-CZ3 3.83Å; F659-W666 HydrophobicContact CE2-CZ3 3.83Å; F659-L736 HydrophobicContact CB-CD2 4.16Å; F659-L736 HydrophobicContact CD2-CD2 4.24Å; F659-L738 VanDerWaalsContact C-CD1 3.49Å; F659-L738 HydrophobicContact CB-CD1 3.85Å; F659-L763 WeakPolarHBondContact O-CA 3.28Å; F659-F764 PolarHBondContact N-O 3.22Å; F659-F764 PolarHBondContact O-N 3.49Å; F659-P766 HydrophobicContact CD2-CG 4.26Å; F659-P766 HydrophobicContact CE2-CG 3.6Å; F659-P766 HydrophobicContact CZ-CG 4.44Å
660S91.8Very high94.3Very high80 Ų8034 Ų3456%0.55918%0.184SC*.  trans-137.63.1-177.554.60000114.7G762S660-G762 WeakPolarHBondContact CA-O 3.25Å
661K87.8Confident94.5Very high162 Ų16234.7 Ų34.770%0.70419%0.188SC*.SBendtrans-168.6160.7176.157.9179-178.9176.50110H664K661-H664 PolarHBondContact O-NE2 3.32Å
662G89.5Confident94.4Very high22 Ų2236.6 Ų36.623%0.22720%0.195CC..SBendtrans86.2-177.2177.800000113.9L738 N739G662-L738 WeakPolarHBondContact O-CB 3.48Å; G662-L738 PolarHBondContact O-N 3.24Å; G662-N739 WeakPolarHBondContact CA-OD1 3.42Å; G662-N739 PolarHBondContact N-OD1 3.48Å; G662-N739 VanDerWaalsContact N-OD1 3.17Å
663V91.1Very high94.2Very high48 Ų4837.1 Ų37.129%0.29120%0.197SC..EExtended strand (participates in β ladder)trans-109.5129.3175.3-165.80000108.4L735 L736 D737 N739 V784V663-L735 HydrophobicContact CG1-CD1 3.84Å; V663-L736 WeakPolarHBondContact CA-O 3.21Å; V663-D737 HydrophobicContact CG1-CB 4.06Å; V663-D737 HydrophobicContact CG2-CB 4.23Å; V663-N739 VanDerWaalsContact CG2-ND2 3.28Å; V663-N739 WeakPolarHBondContact CG2-ND2 3.42Å; V663-V784 HydrophobicContact CB-CG2 4.1Å; V663-V784 HydrophobicContact CG1-CG1 4.32Å; V663-V784 HydrophobicContact CG1-CG2 3.68Å
664H92.4Very high93.6Very high32 Ų3241.5 Ų41.515%0.14822%0.221CC..EExtended strand (participates in β ladder)trans-128.7137.6-177.9-57.4-82.9000109.9F659 K661 W666 L736F659-H664 AromaticContact CD1-CE1 3.61Å; F659-H664 AromaticContact CD1-CG 3.86Å; F659-H664 AromaticContact CD1-ND1 3.6Å; F659-H664 AromaticContact CD1-NE2 3.87Å; F659-H664 HydrophobicContact CD2-CB 4.08Å; F659-H664 AromaticContact CD2-CG 3.95Å; F659-H664 AromaticContact CE1-ND1 3.69Å; F659-H664 HydrophobicContact CE2-CB 4.12Å; F659-H664 HydrophobicContact CG-CB 4.39Å; F659-H664 AromaticContact CG-CD2 3.75Å; F659-H664 AromaticContact CG-CG 3.76Å; F659-H664 AromaticContact CG-NE2 3.97Å; F659-H664 HydrophobicContact CZ-CB 4.49Å; K661-H664 PolarHBondContact O-NE2 3.32Å; H664-W666 HydrophobicContact CB-CE3 4.43Å; H664-W666 HydrophobicContact CB-CZ3 4.1Å; H664-L736 PolarHBondContact N-O 3.03Å; H664-L736 PolarHBondContact O-N 3.28Å
665Y94Very high92.2Very high13 Ų1345.2 Ų45.25%0.05124%0.24CC..EExtended strand (participates in β ladder)trans-132.1141177.6-176.1-111.4000109.8E667 V734 L735 F746 L782 P783 P785Y665-E667 HydrophobicContact CE1-CG 3.82Å; Y665-E667 WeakPolarHBondContact CE1-OE1 3.47Å; Y665-E667 VanDerWaalsContact CZ-OE1 3.29Å; Y665-E667 WeakPolarHBondContact OH-CG 3.47Å; Y665-E667 PolarHBondContact OH-OE1 3.5Å; Y665-V734 WeakPolarHBondContact CA-O 3.33Å; Y665-V734 VanDerWaalsContact CD2-O 3.3Å; Y665-V734 WeakPolarHBondContact CD2-O 3.42Å; Y665-L735 HydrophobicContact CD2-CB 3.96Å; Y665-L735 HydrophobicContact CD2-CD1 3.97Å; Y665-L735 HydrophobicContact CG-CD1 4.35Å; Y665-F746 HydrophobicContact CE2-CD2 4.31Å; Y665-L782 HydrophobicContact CD1-CB 3.95Å; Y665-L782 HydrophobicContact CD1-CD1 4.47Å; Y665-L782 HydrophobicContact CE1-CB 4.41Å; Y665-L782 HydrophobicContact CE1-CD1 4.24Å; Y665-P783 WeakPolarHBondContact CD1-O 3.23Å; Y665-P785 HydrophobicContact CD1-CG 3.99Å; Y665-P785 HydrophobicContact CD2-CG 4.38Å; Y665-P785 HydrophobicContact CE1-CG 3.67Å; Y665-P785 HydrophobicContact CE2-CG 4.09Å; Y665-P785 HydrophobicContact CG-CG 4.33Å
666W96.4Very high91.1Very high4 Ų452.1 Ų52.12%0.01527%0.272CS..EExtended strand (participates in β ladder)trans-154.1161.5172.964.390.7000109.7F623 F659 H664 V683 V734 L736 P766 L778 H779F623-W666 HydrophobicContact CE1-CB 4.15Å; F623-W666 HydrophobicContact CE1-CD2 4.35Å; F623-W666 HydrophobicContact CE1-CE3 4.37Å; F623-W666 HydrophobicContact CE1-CG 4.27Å; F623-W666 HydrophobicContact CZ-CB 3.87Å; F623-W666 AromaticContact CZ-CD2 3.81Å; F623-W666 HydrophobicContact CZ-CD2 3.81Å; F623-W666 HydrophobicContact CZ-CE3 4.23Å; F623-W666 AromaticContact CZ-CG 3.64Å; F623-W666 HydrophobicContact CZ-CG 3.64Å; F659-W666 HydrophobicContact CD2-CZ3 4.14Å; F659-W666 HydrophobicContact CE2-CE3 4.2Å; F659-W666 HydrophobicContact CE2-CH2 4.49Å; F659-W666 AromaticContact CE2-CZ3 3.83Å; F659-W666 HydrophobicContact CE2-CZ3 3.83Å; H664-W666 HydrophobicContact CB-CE3 4.43Å; H664-W666 HydrophobicContact CB-CZ3 4.1Å; W666-V683 HydrophobicContact CH2-CG1 3.62Å; W666-V683 HydrophobicContact CZ2-CG1 3.85Å; W666-V734 HydrophobicContact CD2-CB 4.21Å; W666-V734 HydrophobicContact CH2-CB 4.45Å; W666-V734 HydrophobicContact CH2-CG1 3.92Å; W666-V734 HydrophobicContact CZ2-CB 3.77Å; W666-V734 HydrophobicContact CZ2-CG1 3.44Å; W666-V734 VanDerWaalsContact CZ2-CG1 3.44Å; W666-V734 HydrophobicContact CZ2-CG2 4.48Å; W666-V734 PolarHBondContact N-O 3.21Å; W666-V734 PolarHBondContact O-N 3Å; W666-L736 HydrophobicContact CH2-CB 4.2Å; W666-L736 HydrophobicContact CZ3-CB 4.16Å; W666-P766 HydrophobicContact CD2-CB 4.45Å; W666-P766 HydrophobicContact CD2-CG 4.33Å; W666-P766 HydrophobicContact CE3-CG 4.4Å; W666-P766 HydrophobicContact CH2-CB 4.26Å; W666-P766 HydrophobicContact CH2-CG 3.91Å; W666-P766 HydrophobicContact CZ2-CB 3.63Å; W666-P766 HydrophobicContact CZ2-CG 3.79Å; W666-P766 HydrophobicContact CZ3-CG 4.21Å; W666-L778 HydrophobicContact CG-CD1 4.37Å; W666-H779 WeakPolarHBondContact CB-O 3.43Å
667E96.8Very high90.3Very high41 Ų4147.5 Ų47.519%0.19226%0.256CS..EExtended strand (participates in β ladder)trans-126.3155.7-177.4-75.6169.4-173.200111.4Y665 T731 I732 H779 L782Y665-E667 HydrophobicContact CE1-CG 3.82Å; Y665-E667 WeakPolarHBondContact CE1-OE1 3.47Å; Y665-E667 VanDerWaalsContact CZ-OE1 3.29Å; Y665-E667 WeakPolarHBondContact OH-CG 3.47Å; Y665-E667 PolarHBondContact OH-OE1 3.5Å; E667-T731 HydrophobicContact CB-CG2 3.79Å; E667-T731 HydrophobicContact CG-CG2 3.92Å; E667-I732 CarbonylContact C-O 3.5Å; E667-I732 VanDerWaalsContact CA-O 3.28Å; E667-I732 WeakPolarHBondContact CA-O 3.46Å; E667-H779 HydrophobicContact CB-CB 4.25Å; E667-H779 PolarHBondContact N-O 2.87Å; E667-H779 PolarHBondContact O-N 3.19Å; E667-L782 HydrophobicContact CB-CD1 3.74Å; E667-L782 VanDerWaalsContact CD-CD1 3.49Å; E667-L782 HydrophobicContact CG-CD1 3.66Å; E667-L782 WeakPolarHBondContact OE2-CD1 3.35Å
668L97.6Very high90.1Very high2 Ų246.7 Ų46.71%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-131.9122.5171.7-61.298.7000110.6F625 F681 T731 I732 V734 V768 V776 T777 L778F625-L668 HydrophobicContact CZ-CD2 4.04Å; L668-F681 HydrophobicContact CB-CD1 4.34Å; L668-F681 HydrophobicContact CB-CE1 4.16Å; L668-F681 HydrophobicContact CD1-CD1 4.15Å; L668-F681 HydrophobicContact CD2-CD1 4.12Å; L668-F681 HydrophobicContact CD2-CE1 4.26Å; L668-F681 HydrophobicContact CG-CD1 4.44Å; L668-T731 WeakPolarHBondContact O-CA 3.47Å; L668-I732 PolarHBondContact N-O 2.92Å; L668-I732 WeakPolarHBondContact O-CD1 3.36Å; L668-I732 PolarHBondContact O-N 2.8Å; L668-V734 HydrophobicContact CD1-CG2 4.26Å; L668-V768 HydrophobicContact CD2-CG2 3.47Å; L668-V768 VanDerWaalsContact CD2-CG2 3.47Å; L668-V776 HydrophobicContact CD2-CG2 3.94Å; L668-T777 CarbonylContact C-O 3.6Å; L668-T777 VanDerWaalsContact CA-O 3.29Å; L668-T777 WeakPolarHBondContact CA-O 3.31Å; L668-L778 HydrophobicContact CD1-CD1 4.41Å; L668-L778 HydrophobicContact CD2-CD1 4.28Å; L668-L778 HydrophobicContact CG-CD1 4.03Å
669T97.7Very high90.2Very high33 Ų3345.6 Ų45.620%0.20224%0.238CC..EExtended strand (participates in β ladder)trans-89137.7174.8-59.70000110.4D671 A730 V776 T777 H779T669-D671 PolarHBondContact O-N 2.99Å; T669-A730 WeakPolarHBondContact CA-O 3.45Å; T669-V776 CarbonylContact O-C 3.54Å; T669-V776 WeakPolarHBondContact O-CA 3.26Å; T669-V776 WeakPolarHBondContact O-CB 3.24Å; T669-T777 PolarHBondContact N-O 3.3Å; T669-T777 PolarHBondContact O-N 3.33Å; T669-H779 WeakPolarHBondContact CB-NE2 3.37Å; T669-H779 PolarHBondContact OG1-CD2 3.21Å; T669-H779 PolarHBondContact OG1-NE2 3.38Å
670V96.3Very high90.3Very high0 Ų045 Ų450%024%0.236CC..EExtended strand (participates in β ladder)trans-87.398178.3-177.60000111.1I726 G729 A730 I732 V776V670-I726 HydrophobicContact CG2-CB 4.45Å; V670-I726 HydrophobicContact CG2-CD1 4.29Å; V670-G729 PolarHBondContact O-N 3.11Å; V670-A730 PolarHBondContact N-O 2.85Å; V670-I732 HydrophobicContact CG2-CD1 3.42Å; V670-I732 VanDerWaalsContact CG2-CD1 3.42Å; V670-V776 HydrophobicContact CG2-CG1 4.35Å
671D95.5Very high90.6Very high38 Ų3841.3 Ų41.320%0.20321%0.209CC..EExtended strand (participates in β ladder)trans-72.1-34.2-179.9-54-37.4000112.6T669 K728 Q775 T777T669-D671 PolarHBondContact O-N 2.99Å; D671-K728 WeakPolarHBondContact O-CD 3.43Å; D671-K728 WeakPolarHBondContact O-CE 3.44Å; D671-K728 PolarHBondContact O-NZ 3.15Å; D671-Q775 HydrophobicContact CB-CB 4.22Å; D671-Q775 HydrophobicContact CB-CG 3.99Å; D671-Q775 PolarHBondContact N-O 2.88Å; D671-Q775 PolarHBondContact OD2-NE2 2.63Å; D671-T777 PolarHBondContact OD1-OG1 2.83Å; D671-T777 PolarHBondContact OD2-N 2.96Å; D671-T777 PolarHBondContact OD2-OG1 3.05Å
672R93.9Very high91Very high64 Ų6433.6 Ų33.624%0.24218%0.176CC..EExtended strand (participates in β ladder)trans-151.3139.3177.1-174.7176.370.8-95.7-3.6109.4T644 D674 R772 V774 Q775T644-R672 PolarHBondContact OG1-NH2 2.89Å; R672-D674 VanDerWaalsContact CD-OD2 3.27Å; R672-D674 WeakPolarHBondContact CD-OD2 3.36Å; R672-D674 IonicContact NE-OD2 2.78Å; R672-R772 PolarHBondContact NH2-O 2.81Å; R672-V774 PolarHBondContact NH2-O 3.15Å; R672-V774 CarbonylContact O-C 3.54Å; R672-V774 VanDerWaalsContact O-CA 3.32Å; R672-V774 WeakPolarHBondContact O-CA 3.18Å; R672-V774 WeakPolarHBondContact O-CG1 3.3Å; R672-Q775 HydrophobicContact CB-CB 4.08Å; R672-Q775 PolarHBondContact N-O 2.66Å; R672-Q775 PolarHBondContact O-N 2.67Å
673Y92Very high91.4Very high11 Ų1132.6 Ų32.64%0.04317%0.165CC..EExtended strand (participates in β ladder)trans-152.7106.3168.7168.3-129.7000106.7N675 D678 D706 N707 I726 N773 V774Y673-N675 PolarHBondContact O-N 3.04Å; Y673-N675 PolarHBondContact O-OD1 3.3Å; Y673-D678 PolarHBondContact OH-OD1 2.92Å; Y673-D706 WeakPolarHBondContact OH-CA 3.38Å; Y673-N707 WeakPolarHBondContact CE1-ND2 3.47Å; Y673-N707 PolarHBondContact OH-N 3.44Å; Y673-N707 PolarHBondContact OH-ND2 3.42Å; Y673-N707 VanDerWaalsContact OH-ND2 3.13Å; Y673-I726 HydrophobicContact CD1-CD1 3.83Å; Y673-I726 HydrophobicContact CD1-CG1 3.84Å; Y673-I726 HydrophobicContact CD2-CD1 4.27Å; Y673-I726 HydrophobicContact CE1-CD1 3.93Å; Y673-I726 HydrophobicContact CE1-CG1 3.67Å; Y673-I726 HydrophobicContact CE2-CD1 4.4Å; Y673-I726 HydrophobicContact CG-CD1 4.01Å; Y673-N773 WeakPolarHBondContact CA-O 3.39Å; Y673-V774 HydrophobicContact CD2-CG2 4.14Å
674D85.1Confident91.7Very high94 Ų9430.3 Ų30.350%0.50315%0.151SC..  trans-92.940.3-177.9-51.3-49.1000111.1R672 H676 N773R672-D674 VanDerWaalsContact CD-OD2 3.27Å; R672-D674 WeakPolarHBondContact CD-OD2 3.36Å; R672-D674 IonicContact NE-OD2 2.78Å; D674-H676 VanDerWaalsContact C-N 3.28Å; D674-H676 PolarHBondContact O-N 2.89Å; D674-N773 HydrophobicContact CB-CB 4.14Å; D674-N773 PolarHBondContact N-O 2.81Å
675N68.4Low91.9Very high80 Ų8032.5 Ų32.543%0.42816%0.158SC..SBendtrans63.1-8.5168.4-66.20.8000120Y673 N707Y673-N675 PolarHBondContact O-N 3.04Å; Y673-N675 PolarHBondContact O-OD1 3.3Å; N675-N707 WeakPolarHBondContact CB-ND2 3.41Å; N675-N707 PolarHBondContact ND2-OD1 3.05Å; N675-N707 PolarHBondContact OD1-ND2 3.03Å; N675-N707 PolarHBondContact OD1-OD1 3.12Å
676H73.4Confident91.9Very high146 Ų14636.1 Ų36.168%0.67618%0.177SC*.SBendtrans-152143.1171.9-95.751.8000110.7D674 N773D674-H676 VanDerWaalsContact C-N 3.28Å; D674-H676 PolarHBondContact O-N 2.89Å; H676-N773 WeakPolarHBondContact O-CB 3.32Å; H676-N773 PolarHBondContact O-ND2 2.83Å
677P75.2Confident91.8Very high38 Ų3840.6 Ų40.625%0.24720%0.201CC..SBendcis-75.2179.2-19.437.3-36000111.1N771P677-N771 WeakPolarHBondContact CD-ND2 3.46Å; P677-N771 WeakPolarHBondContact CD-OD1 3.41Å; P677-N771 HydrophobicContact CG-CB 4.25Å; P677-N771 WeakPolarHBondContact CG-ND2 3.36Å
678D89.3Confident91.7Very high37 Ų3739 Ų3920%0.19819%0.194CC..  trans-87.8124.7-173.1-59.2-42.2000111.9Y673 M693 Y704 V705 D706Y673-D678 PolarHBondContact OH-OD1 2.92Å; D678-M693 WeakPolarHBondContact O-CE 3.46Å; D678-Y704 HydrophobicContact CB-CD2 4.49Å; D678-V705 WeakPolarHBondContact CB-O 3.24Å; D678-D706 WeakPolarHBondContact OD1-CA 3.36Å; D678-D706 WeakPolarHBondContact OD1-CB 3.41Å
679P95.1Very high91.6Very high1 Ų143.9 Ų43.91%0.00622%0.218CC..  trans-70.5157.8177.730.7-35.6000111.9F681 Y704 V705 I726 S769 L770 V774P679-F681 HydrophobicContact CB-CE2 4.04Å; P679-F681 HydrophobicContact CB-CZ 4.11Å; P679-F681 HydrophobicContact CG-CE2 3.89Å; P679-F681 HydrophobicContact CG-CZ 4.09Å; P679-Y704 WeakPolarHBondContact O-CA 3.22Å; P679-V705 PolarHBondContact O-N 3.05Å; P679-I726 HydrophobicContact CG-CD1 3.47Å; P679-I726 VanDerWaalsContact CG-CD1 3.47Å; P679-S769 WeakPolarHBondContact CA-O 3.33Å; P679-L770 HydrophobicContact CB-CB 4.44Å; P679-V774 HydrophobicContact CB-CG1 4.06Å; P679-V774 HydrophobicContact CB-CG2 4.38Å; P679-V774 HydrophobicContact CG-CG1 4.01Å; P679-V774 HydrophobicContact CG-CG2 4.45Å
680A96.9Very high91.5Very high0 Ų044.9 Ų44.90%022%0.22CC..EExtended strand (participates in β ladder)trans-128.5136.6176.600000111.9M693 L694 A702 M703 V768 S769A680-M693 HydrophobicContact CB-CG 4.07Å; A680-L694 HydrophobicContact CB-CB 4.04Å; A680-A702 HydrophobicContact CB-CB 4.46Å; A680-M703 CarbonylContact C-O 3.6Å; A680-M703 WeakPolarHBondContact CA-O 3.23Å; A680-V768 CarbonylContact O-C 3.54Å; A680-V768 VanDerWaalsContact O-CA 3.28Å; A680-V768 WeakPolarHBondContact O-CA 3.49Å; A680-S769 PolarHBondContact N-O 3.32Å; A680-S769 PolarHBondContact O-N 3.04Å
681F97.8Very high91.4Very high1 Ų149.2 Ų49.20%0.00424%0.243CC..EExtended strand (participates in β ladder)trans-122.6138.3-173.6-55.4-89.8000109.4L668 P679 A702 M703 V705 I732 F745 V768 V776L668-F681 HydrophobicContact CB-CD1 4.34Å; L668-F681 HydrophobicContact CB-CE1 4.16Å; L668-F681 HydrophobicContact CD1-CD1 4.15Å; L668-F681 HydrophobicContact CD2-CD1 4.12Å; L668-F681 HydrophobicContact CD2-CE1 4.26Å; L668-F681 HydrophobicContact CG-CD1 4.44Å; P679-F681 HydrophobicContact CB-CE2 4.04Å; P679-F681 HydrophobicContact CB-CZ 4.11Å; P679-F681 HydrophobicContact CG-CE2 3.89Å; P679-F681 HydrophobicContact CG-CZ 4.09Å; F681-A702 CarbonylContact O-C 3.54Å; F681-A702 VanDerWaalsContact O-CA 3.29Å; F681-A702 WeakPolarHBondContact O-CA 3.47Å; F681-M703 PolarHBondContact N-O 3.48Å; F681-M703 PolarHBondContact O-N 3.45Å; F681-V705 HydrophobicContact CD2-CG1 4.07Å; F681-V705 HydrophobicContact CE2-CG1 3.76Å; F681-I732 HydrophobicContact CB-CG2 4.12Å; F681-I732 HydrophobicContact CD1-CB 4.5Å; F681-I732 HydrophobicContact CD1-CG2 4.48Å; F681-I732 HydrophobicContact CD2-CG1 4.08Å; F681-I732 HydrophobicContact CD2-CG2 4.18Å; F681-I732 HydrophobicContact CE1-CD1 4.09Å; F681-I732 HydrophobicContact CE1-CG1 4.4Å; F681-I732 HydrophobicContact CE2-CD1 3.94Å; F681-I732 HydrophobicContact CE2-CG1 3.87Å; F681-I732 HydrophobicContact CG-CB 4.44Å; F681-I732 HydrophobicContact CG-CG1 4.44Å; F681-I732 HydrophobicContact CG-CG2 4.02Å; F681-I732 HydrophobicContact CZ-CD1 3.65Å; F681-I732 HydrophobicContact CZ-CG1 4.04Å; F681-F745 VanDerWaalsContact O-CE1 3.28Å; F681-F745 WeakPolarHBondContact O-CE1 3.39Å; F681-V768 HydrophobicContact CD1-CG1 4.07Å; F681-V768 HydrophobicContact CD1-CG2 4.17Å; F681-V768 HydrophobicContact CE1-CG1 4.14Å; F681-V776 HydrophobicContact CE1-CG1 3.99Å; F681-V776 HydrophobicContact CE1-CG2 4.43Å; F681-V776 HydrophobicContact CZ-CG1 4.09Å
682G97.3Very high91.3Very high1 Ų149.6 Ų49.61%0.0125%0.247CC..EExtended strand (participates in β ladder)trans176.4-151.2-17400000115.4W701 A767G682-W701 VanDerWaalsContact CA-O 3.26Å; G682-W701 WeakPolarHBondContact CA-O 3.07Å; G682-A767 PolarHBondContact N-O 3.24Å; G682-A767 PolarHBondContact O-N 3.4Å
683V97.5Very high91.3Very high0 Ų047.4 Ų47.40%024%0.239CC..EExtended strand (participates in β ladder)trans-134.2150.3174.5-55.20000110.4W666 A700 W701 L736 L743 F764 F765W666-V683 HydrophobicContact CH2-CG1 3.62Å; W666-V683 HydrophobicContact CZ2-CG1 3.85Å; V683-A700 WeakPolarHBondContact O-CA 3.41Å; V683-W701 HydrophobicContact CG2-CB 4.16Å; V683-W701 PolarHBondContact N-O 2.88Å; V683-W701 PolarHBondContact O-N 3.43Å; V683-L736 HydrophobicContact CG1-CD1 4.43Å; V683-L736 HydrophobicContact CG1-CD2 4.35Å; V683-L736 HydrophobicContact CG2-CD1 4.48Å; V683-L743 HydrophobicContact CG1-CD1 4.21Å; V683-L743 HydrophobicContact CG2-CD2 3.81Å; V683-F764 HydrophobicContact CB-CB 4.14Å; V683-F764 HydrophobicContact CG2-CB 4.27Å; V683-F764 HydrophobicContact CG2-CD1 4.02Å; V683-F764 HydrophobicContact CG2-CG 4.3Å; V683-F765 CarbonylContact C-O 3.41Å; V683-F765 VanDerWaalsContact CA-O 3.26Å; V683-F765 WeakPolarHBondContact CA-O 3.47Å
684A97.6Very high91.5Very high0 Ų047 Ų470%024%0.238CC..EExtended strand (participates in β ladder)trans-145.9166.3179.900000113.5L654 V688 L694 K699 A700 F764 F765 A767L654-A684 HydrophobicContact CD2-CB 4.02Å; A684-V688 HydrophobicContact CB-CB 3.98Å; A684-V688 HydrophobicContact CB-CG1 4.17Å; A684-V688 HydrophobicContact CB-CG2 3.97Å; A684-L694 HydrophobicContact CB-CD1 4.13Å; A684-K699 CarbonylContact C-O 3.6Å; A684-K699 WeakPolarHBondContact CA-O 3.34Å; A684-A700 HydrophobicContact CB-CB 3.96Å; A684-F764 WeakPolarHBondContact O-CA 3.39Å; A684-F765 PolarHBondContact N-O 2.87Å; A684-F765 PolarHBondContact O-N 3.43Å; A684-A767 HydrophobicContact CB-CB 3.88Å
685R95.8Very high92Very high78 Ų7842.5 Ų42.529%0.29421%0.214SC..  trans-81.1158.7168.3-54.8-173.3-174.2-72.61.8110D687 V688 K699 W701 E761R685-D687 WeakPolarHBondContact CB-OD1 3.32Å; R685-D687 PolarHBondContact O-N 2.89Å; R685-D687 VanDerWaalsContact O-N 3.08Å; R685-V688 WeakPolarHBondContact O-CB 3.47Å; R685-V688 PolarHBondContact O-N 3.14Å; R685-K699 HydrophobicContact CB-CB 4.31Å; R685-K699 PolarHBondContact N-O 2.97Å; R685-W701 HydrophobicContact CG-CZ3 4.25Å; R685-E761 PolarHBondContact NH1-O 3.34Å; R685-E761 PolarHBondContact NH2-O 3.17Å
686M94.1Very high93.2Very high90 Ų9042.5 Ų42.544%0.44321%0.21SC..THydrogen-bonded Turntrans-59.2-25-175.1-165.369.6-160.700113.7L654 F765L654-M686 HydrophobicContact CD1-SD 4.31Å; M686-F765 HydrophobicContact CB-CD2 4.41Å; M686-F765 HydrophobicContact CB-CE2 3.9Å; M686-F765 HydrophobicContact CG-CE2 4.43Å; M686-F765 HydrophobicContact SD-CD1 4.49Å; M686-F765 HydrophobicContact SD-CD2 4.29Å; M686-F765 HydrophobicContact SD-CE1 4.05Å; M686-F765 HydrophobicContact SD-CE2 3.85Å; M686-F765 HydrophobicContact SD-CZ 3.71Å
687D93.7Very high94.2Very high98 Ų9835.8 Ų35.852%0.52418%0.179SC..THydrogen-bonded Turntrans-105.322-175.266.5-53000113.8R685 K699R685-D687 WeakPolarHBondContact CB-OD1 3.32Å; R685-D687 PolarHBondContact O-N 2.89Å; R685-D687 VanDerWaalsContact O-N 3.08Å; D687-K699 WeakPolarHBondContact O-CD 3.43Å; D687-K699 PolarHBondContact O-NZ 2.74Å; D687-K699 WeakPolarHBondContact OD2-CE 3.41Å; D687-K699 IonicContact OD2-NZ 3.07Å; D687-K699 PolarHBondContact OD2-NZ 3.32Å
688V96.5Very high95.1Very high8 Ų838.3 Ų38.35%0.04819%0.19CC..  trans-54.3146.3168.569.80000112V652 L654 A684 R685 L694 D697 K699 A700V652-V688 HydrophobicContact CG1-CG1 4.15Å; L654-V688 HydrophobicContact CD1-CG1 4.24Å; L654-V688 HydrophobicContact CD2-CG1 4.09Å; L654-V688 HydrophobicContact CG-CG1 4.41Å; A684-V688 HydrophobicContact CB-CB 3.98Å; A684-V688 HydrophobicContact CB-CG1 4.17Å; A684-V688 HydrophobicContact CB-CG2 3.97Å; R685-V688 WeakPolarHBondContact O-CB 3.47Å; R685-V688 PolarHBondContact O-N 3.14Å; V688-L694 HydrophobicContact CG2-CD1 4.46Å; V688-D697 WeakPolarHBondContact CA-OD2 3.31Å; V688-D697 WeakPolarHBondContact CG2-OD2 3.46Å; V688-K699 HydrophobicContact CB-CB 4.34Å; V688-K699 HydrophobicContact CG2-CB 4.45Å; V688-A700 HydrophobicContact CG2-CB 3.96Å
689M95.2Very high95.5Very high103 Ų10338.8 Ų38.851%0.50719%0.191SC..  trans-67130.8170.1-60.1-170.1-15500110.3V652 V692 D697V652-M689 VanDerWaalsContact CG2-O 3.31Å; V652-M689 WeakPolarHBondContact CG2-O 3.45Å; M689-V692 HydrophobicContact CB-CG2 3.63Å; M689-D697 HydrophobicContact CE-CB 3.94Å; M689-D697 HydrophobicContact CG-CB 4.24Å; M689-D697 PolarHBondContact N-OD2 2.95Å; M689-D697 HydrophobicContact SD-CB 4.34Å
690K94.9Very high95.5Very high54 Ų5438.7 Ų38.724%0.23519%0.19CC..SBendtrans-100.9-12.2-172.5-66.1172.8-172.4173.40114.7S629 R651 V652S629-K690 WeakPolarHBondContact O-CD 3.48Å; S629-K690 VanDerWaalsContact O-CE 3.3Å; S629-K690 WeakPolarHBondContact O-CE 3.38Å; S629-K690 PolarHBondContact O-NZ 3.03Å; R651-K690 CarbonylContact C-O 3.57Å; R651-K690 VanDerWaalsContact CA-O 3.28Å; R651-K690 WeakPolarHBondContact CA-O 3.28Å; V652-K690 HydrophobicContact CB-CG 4.42Å; V652-K690 PolarHBondContact N-O 3.3Å
691D93.8Very high95.6Very high92 Ų9240 Ų4049%0.49220%0.195SC..SBendtrans-103.216.6-171.4-42.7-46.6000111.6H631 D650H631-D691 IonicContact CD2-OD1 2.86Å; H631-D691 PolarHBondContact CD2-OD1 3.35Å; H631-D691 IonicContact CG-OD1 2.64Å; H631-D691 IonicContact NE2-OD1 3.15Å; D650-D691 CarbonylContact O-C 3.27Å
692V93Very high95.5Very high46 Ų4640 Ų4028%0.27920%0.195SC..SBendtrans-138.7165-177.7-60.10000110.6V652 M689 K696V652-V692 WeakPolarHBondContact CG2-O 3.4Å; M689-V692 HydrophobicContact CB-CG2 3.63Å; V692-K696 HydrophobicContact CB-CD 4.4Å; V692-K696 HydrophobicContact CG2-CB 4.37Å
693M94.3Very high95.6Very high18 Ų1840 Ų409%0.08920%0.195CC..  trans-62.7140.7171.8-173.5174.9-78.700112.1D650 D678 A680 G695 K696 M713D650-M693 HydrophobicContact CB-CB 4.14Å; D650-M693 WeakPolarHBondContact OD2-CE 3.35Å; D678-M693 WeakPolarHBondContact O-CE 3.46Å; A680-M693 HydrophobicContact CB-CG 4.07Å; M693-G695 PolarHBondContact O-N 2.83Å; M693-K696 HydrophobicContact CB-CD 3.79Å; M693-K696 HydrophobicContact CB-CG 4.13Å; M693-K696 WeakPolarHBondContact O-CB 3.43Å; M693-K696 WeakPolarHBondContact O-CG 3.21Å; M693-K696 PolarHBondContact O-N 2.86Å; M693-K696 VanDerWaalsContact O-N 3.17Å; M693-M713 HydrophobicContact CG-CE 4.29Å; M693-M713 HydrophobicContact SD-CE 3.59Å; M693-M713 VanDerWaalsContact SD-CE 3.59Å
694L96.8Very high95.5Very high1 Ų141.3 Ų41.31%0.00520%0.2CC..THydrogen-bonded Turntrans-61.2127.6178.5-168.773.5000110.7V652 A680 A684 V688 A700 A702 A767 S769V652-L694 HydrophobicContact CG1-CD1 3.82Å; V652-L694 HydrophobicContact CG2-CB 4.48Å; V652-L694 HydrophobicContact CG2-CD1 4.16Å; A680-L694 HydrophobicContact CB-CB 4.04Å; A684-L694 HydrophobicContact CB-CD1 4.13Å; V688-L694 HydrophobicContact CG2-CD1 4.46Å; L694-A700 HydrophobicContact CD1-CB 3.54Å; L694-A700 HydrophobicContact CG-CB 3.92Å; L694-A702 HydrophobicContact CB-CB 4.24Å; L694-A702 HydrophobicContact CD2-CB 3.75Å; L694-A702 HydrophobicContact CG-CB 3.82Å; L694-A767 HydrophobicContact CD1-CB 3.64Å; L694-A767 HydrophobicContact CD2-CB 3.76Å; L694-A767 WeakPolarHBondContact CD2-O 3.39Å; L694-A767 HydrophobicContact CG-CB 4.37Å; L694-S769 WeakPolarHBondContact CB-OG 3.35Å; L694-S769 PolarHBondContact N-OG 2.96Å
695G94.8Very high95.3Very high0 Ų041.3 Ų41.30%020%0.2CC..THydrogen-bonded Turntrans96.9-6.1-175.800000114.6M693 D697 M713 H714 N715 N716M693-G695 PolarHBondContact O-N 2.83Å; G695-D697 VanDerWaalsContact C-N 3.27Å; G695-D697 PolarHBondContact O-N 2.85Å; G695-M713 WeakPolarHBondContact O-CG 3.38Å; G695-H714 CarbonylContact O-C 3.53Å; G695-H714 VanDerWaalsContact O-CA 3.29Å; G695-H714 WeakPolarHBondContact O-CA 3.35Å; G695-N715 PolarHBondContact O-N 2.81Å; G695-N716 PolarHBondContact O-N 3.33Å
696K94.6Very high95.2Very high80 Ų8038.1 Ų38.135%0.34819%0.189SC..SBendtrans-73.2-15.2171.8-71-176.7174.9159.90113.9V692 M693 M713 N716V692-K696 HydrophobicContact CB-CD 4.4Å; V692-K696 HydrophobicContact CG2-CB 4.37Å; M693-K696 HydrophobicContact CB-CD 3.79Å; M693-K696 HydrophobicContact CB-CG 4.13Å; M693-K696 WeakPolarHBondContact O-CB 3.43Å; M693-K696 WeakPolarHBondContact O-CG 3.21Å; M693-K696 PolarHBondContact O-N 2.86Å; M693-K696 VanDerWaalsContact O-N 3.17Å; K696-M713 HydrophobicContact CG-SD 3.7Å; K696-N716 PolarHBondContact O-N 3.39Å
697D94.2Very high95Very high6 Ų636.6 Ų36.63%0.03218%0.183CC..SBendtrans-109.8172.9173.4756.5000112.8V688 M689 G695 K699 A700 N715V688-D697 WeakPolarHBondContact CA-OD2 3.31Å; V688-D697 WeakPolarHBondContact CG2-OD2 3.46Å; M689-D697 HydrophobicContact CE-CB 3.94Å; M689-D697 HydrophobicContact CG-CB 4.24Å; M689-D697 PolarHBondContact N-OD2 2.95Å; M689-D697 HydrophobicContact SD-CB 4.34Å; G695-D697 VanDerWaalsContact C-N 3.27Å; G695-D697 PolarHBondContact O-N 2.85Å; D697-K699 PolarHBondContact O-N 3.36Å; D697-K699 WeakPolarHBondContact OD1-CA 3.31Å; D697-K699 WeakPolarHBondContact OD1-CB 3.24Å; D697-K699 PolarHBondContact OD1-N 3.06Å; D697-A700 PolarHBondContact OD1-N 3.11Å; D697-N715 VanDerWaalsContact O-CA 3.3Å; D697-N715 WeakPolarHBondContact O-CA 3.48Å; D697-N715 PolarHBondContact O-N 3.01Å
698D94.8Very high94.9Very high90 Ų9036.8 Ų36.848%0.48118%0.184SC..THydrogen-bonded Turntrans-77.28.1177.267.7-41.3000113.5W701 H714D698-W701 WeakPolarHBondContact O-CH2 3.24Å; D698-H714 PolarHBondContact O-CE1 3.16Å
699K96.2Very high94.8Very high47 Ų4739.9 Ų39.920%0.20419%0.194CC..THydrogen-bonded Turntrans-117.8-5.3-170.5-48-174.4-172.8-1740113.4A684 R685 D687 V688 D697 W701A684-K699 CarbonylContact C-O 3.6Å; A684-K699 WeakPolarHBondContact CA-O 3.34Å; R685-K699 HydrophobicContact CB-CB 4.31Å; R685-K699 PolarHBondContact N-O 2.97Å; D687-K699 WeakPolarHBondContact O-CD 3.43Å; D687-K699 PolarHBondContact O-NZ 2.74Å; D687-K699 WeakPolarHBondContact OD2-CE 3.41Å; D687-K699 IonicContact OD2-NZ 3.07Å; D687-K699 PolarHBondContact OD2-NZ 3.32Å; V688-K699 HydrophobicContact CB-CB 4.34Å; V688-K699 HydrophobicContact CG2-CB 4.45Å; D697-K699 PolarHBondContact O-N 3.36Å; D697-K699 WeakPolarHBondContact OD1-CA 3.31Å; D697-K699 WeakPolarHBondContact OD1-CB 3.24Å; D697-K699 PolarHBondContact OD1-N 3.06Å; K699-W701 VanDerWaalsContact O-CZ3 3.26Å; K699-W701 WeakPolarHBondContact O-CZ3 3.37Å
700A96.4Very high94.8Very high0 Ų035 Ų350%017%0.17CC..EExtended strand (participates in β ladder)trans-125.7144178.300000112.3V683 A684 V688 L694 D697 H714V683-A700 WeakPolarHBondContact O-CA 3.41Å; A684-A700 HydrophobicContact CB-CB 3.96Å; V688-A700 HydrophobicContact CG2-CB 3.96Å; L694-A700 HydrophobicContact CD1-CB 3.54Å; L694-A700 HydrophobicContact CG-CB 3.92Å; D697-A700 PolarHBondContact OD1-N 3.11Å; A700-H714 PolarHBondContact O-ND1 2.66Å
701W97.6Very high94.8Very high28 Ų2834.3 Ų34.311%0.10617%0.166CC..EExtended strand (participates in β ladder)trans-126.8111.3176.2-69.3-97.5000107.5G682 V683 R685 D698 K699 H714 L743 F757 F764G682-W701 VanDerWaalsContact CA-O 3.26Å; G682-W701 WeakPolarHBondContact CA-O 3.07Å; V683-W701 HydrophobicContact CG2-CB 4.16Å; V683-W701 PolarHBondContact N-O 2.88Å; V683-W701 PolarHBondContact O-N 3.43Å; R685-W701 HydrophobicContact CG-CZ3 4.25Å; D698-W701 WeakPolarHBondContact O-CH2 3.24Å; K699-W701 VanDerWaalsContact O-CZ3 3.26Å; K699-W701 WeakPolarHBondContact O-CZ3 3.37Å; W701-H714 AromaticContact CD1-CG 3.86Å; W701-H714 AromaticContact CD1-ND1 3.81Å; W701-H714 AromaticContact CD2-ND1 3.86Å; W701-H714 AromaticContact CE2-CE1 3.31Å; W701-H714 AromaticContact CE2-ND1 3.51Å; W701-H714 AromaticContact CE2-NE2 3.88Å; W701-H714 AromaticContact CH2-CE1 3.9Å; W701-H714 AromaticContact CZ2-CE1 3.24Å; W701-H714 WeakPolarHBondContact CZ2-CE1 3.38Å; W701-H714 AromaticContact CZ2-ND1 3.9Å; W701-H714 AromaticContact CZ2-NE2 3.81Å; W701-H714 AromaticContact NE1-CD2 3.81Å; W701-H714 AromaticContact NE1-CE1 3.5Å; W701-H714 AromaticContact NE1-CG 3.7Å; W701-H714 AromaticContact NE1-ND1 3.51Å; W701-H714 AromaticContact NE1-NE2 3.69Å; W701-L743 HydrophobicContact CB-CD2 3.82Å; W701-F757 HydrophobicContact CB-CD2 3.95Å; W701-F757 HydrophobicContact CB-CE2 3.96Å; W701-F757 HydrophobicContact CB-CG 4.38Å; W701-F757 HydrophobicContact CB-CZ 4.42Å; W701-F757 AromaticContact CD1-CD1 3.63Å; W701-F757 AromaticContact CD1-CG 3.64Å; W701-F757 HydrophobicContact CG-CD2 4.47Å; W701-F757 HydrophobicContact CG-CG 4.41Å; W701-F764 HydrophobicContact CD2-CE1 4.45Å; W701-F764 HydrophobicContact CE3-CD1 4.24Å; W701-F764 AromaticContact CE3-CE1 3.72Å; W701-F764 HydrophobicContact CE3-CE1 3.72Å; W701-F764 HydrophobicContact CH2-CE1 4.22Å; W701-F764 HydrophobicContact CZ3-CD1 4.3Å; W701-F764 AromaticContact CZ3-CE1 3.6Å; W701-F764 HydrophobicContact CZ3-CE1 3.6Å
702A97.6Very high95Very high0 Ų030 Ų300%014%0.143CC..EExtended strand (participates in β ladder)trans-138.1163.9-166.300000113.6A680 F681 L694 F712 M713A680-A702 HydrophobicContact CB-CB 4.46Å; F681-A702 CarbonylContact O-C 3.54Å; F681-A702 VanDerWaalsContact O-CA 3.29Å; F681-A702 WeakPolarHBondContact O-CA 3.47Å; L694-A702 HydrophobicContact CB-CB 4.24Å; L694-A702 HydrophobicContact CD2-CB 3.75Å; L694-A702 HydrophobicContact CG-CB 3.82Å; A702-F712 CarbonylContact O-C 3.43Å; A702-F712 WeakPolarHBondContact O-CA 3.43Å; A702-M713 PolarHBondContact N-O 3.14Å; A702-M713 PolarHBondContact O-N 3.29Å
703M97.6Very high95.1Very high0 Ų027.8 Ų27.80%013%0.13CC..EExtended strand (participates in β ladder)trans-115124.4160180-17775.200108.1A680 F681 W711 F712 I732 F745 I747 Q752A680-M703 CarbonylContact C-O 3.6Å; A680-M703 WeakPolarHBondContact CA-O 3.23Å; F681-M703 PolarHBondContact N-O 3.48Å; F681-M703 PolarHBondContact O-N 3.45Å; M703-W711 CarbonylContact C-O 3.58Å; M703-W711 WeakPolarHBondContact CA-O 3.36Å; M703-W711 WeakPolarHBondContact CG-O 3.48Å; M703-F712 HydrophobicContact CB-CD1 4.13Å; M703-F712 HydrophobicContact CG-CD1 4.15Å; M703-F712 HydrophobicContact CG-CE1 4.38Å; M703-F712 HydrophobicContact SD-CE1 4.33Å; M703-I732 HydrophobicContact CE-CG2 3.98Å; M703-F745 HydrophobicContact CB-CB 4.36Å; M703-F745 HydrophobicContact CB-CD1 3.96Å; M703-F745 HydrophobicContact CB-CD2 3.65Å; M703-F745 HydrophobicContact CB-CE1 4.11Å; M703-F745 HydrophobicContact CB-CE2 3.82Å; M703-F745 HydrophobicContact CB-CG 3.72Å; M703-F745 HydrophobicContact CB-CZ 4.04Å; M703-F745 HydrophobicContact CE-CB 3.85Å; M703-F745 HydrophobicContact CE-CD1 4.45Å; M703-F745 HydrophobicContact CE-CG 4.29Å; M703-F745 HydrophobicContact CG-CG 4.46Å; M703-F745 HydrophobicContact SD-CB 3.52Å; M703-F745 VanDerWaalsContact SD-CB 3.52Å; M703-F745 HydrophobicContact SD-CD2 4.38Å; M703-F745 HydrophobicContact SD-CG 3.97Å; M703-I747 HydrophobicContact CE-CD1 3.99Å; M703-I747 HydrophobicContact CE-CG1 4.01Å; M703-Q752 HydrophobicContact CE-CG 4.29Å; M703-Q752 HydrophobicContact SD-CB 3.65Å; M703-Q752 HydrophobicContact SD-CG 3.77Å
704Y95.7Very high95.2Very high28 Ų2829.3 Ų29.311%0.1114%0.136CC..EExtended strand (participates in β ladder)trans-103.2149.6167.677.3-84000109.6D678 P679 S710 W711 M713 H718D678-Y704 HydrophobicContact CB-CD2 4.49Å; P679-Y704 WeakPolarHBondContact O-CA 3.22Å; Y704-S710 WeakPolarHBondContact O-CA 3.45Å; Y704-W711 HydrophobicContact CD1-CB 4.04Å; Y704-W711 HydrophobicContact CD2-CE3 4.12Å; Y704-W711 HydrophobicContact CE1-CB 3.41Å; Y704-W711 VanDerWaalsContact CE1-CB 3.41Å; Y704-W711 HydrophobicContact CE1-CD2 4.46Å; Y704-W711 HydrophobicContact CE1-CG 4.07Å; Y704-W711 HydrophobicContact CE2-CB 4.4Å; Y704-W711 AromaticContact CE2-CD2 3.97Å; Y704-W711 HydrophobicContact CE2-CD2 3.97Å; Y704-W711 AromaticContact CE2-CE3 3.44Å; Y704-W711 HydrophobicContact CE2-CE3 3.44Å; Y704-W711 VanDerWaalsContact CE2-CE3 3.44Å; Y704-W711 HydrophobicContact CE2-CG 4.42Å; Y704-W711 AromaticContact CE2-CZ3 3.89Å; Y704-W711 HydrophobicContact CE2-CZ3 3.89Å; Y704-W711 AromaticContact CZ-CD2 3.71Å; Y704-W711 AromaticContact CZ-CE3 3.69Å; Y704-W711 AromaticContact CZ-CG 3.73Å; Y704-W711 PolarHBondContact N-O 3Å; Y704-W711 PolarHBondContact O-N 2.98Å; Y704-M713 HydrophobicContact CD1-CB 3.97Å; Y704-M713 HydrophobicContact CD1-CE 3.32Å; Y704-M713 HydrophobicContact CE1-CB 4.3Å; Y704-M713 HydrophobicContact CE1-CE 3.61Å; Y704-M713 HydrophobicContact CG-CE 3.94Å; Y704-H718 AromaticContact CE1-CE1 3.86Å; Y704-H718 AromaticContact CE1-ND1 3.21Å; Y704-H718 WeakPolarHBondContact CE1-ND1 3.44Å; Y704-H718 AromaticContact CZ-CE1 3.96Å; Y704-H718 AromaticContact CZ-ND1 3.34Å; Y704-H718 VanDerWaalsContact CZ-ND1 3.34Å; Y704-H718 PolarHBondContact OH-ND1 3.18Å
705V94.6Very high95.1Very high0 Ų034 Ų340%016%0.161CC..EExtended strand (participates in β ladder)trans-148.3126.2-16457.60000112.4D678 P679 F681 R709 I726 I747D678-V705 WeakPolarHBondContact CB-O 3.24Å; P679-V705 PolarHBondContact O-N 3.05Å; F681-V705 HydrophobicContact CD2-CG1 4.07Å; F681-V705 HydrophobicContact CE2-CG1 3.76Å; V705-R709 CarbonylContact C-O 3.54Å; V705-R709 WeakPolarHBondContact CA-O 3.45Å; V705-R709 WeakPolarHBondContact CG2-O 3.42Å; V705-I726 HydrophobicContact CG1-CD1 3.98Å; V705-I726 HydrophobicContact CG1-CG1 3.98Å; V705-I726 HydrophobicContact CG1-CG2 3.8Å; V705-I726 HydrophobicContact CG2-CB 4.43Å; V705-I726 HydrophobicContact CG2-CG1 4.18Å; V705-I726 HydrophobicContact CG2-CG2 3.87Å; V705-I747 HydrophobicContact CG2-CD1 3.76Å
706D92.6Very high95Very high12 Ų1238.4 Ų38.46%0.06419%0.185CC..  trans-94-175.7173.679.439.1000111.8Y673 D678 N708 R709 W711 G725 I726Y673-D706 WeakPolarHBondContact OH-CA 3.38Å; D678-D706 WeakPolarHBondContact OD1-CA 3.36Å; D678-D706 WeakPolarHBondContact OD1-CB 3.41Å; D706-N708 PolarHBondContact O-N 2.86Å; D706-N708 VanDerWaalsContact O-N 3.09Å; D706-N708 WeakPolarHBondContact OD1-CA 3.28Å; D706-N708 PolarHBondContact OD1-N 3.3Å; D706-R709 PolarHBondContact N-O 3.33Å; D706-R709 PolarHBondContact OD1-N 2.86Å; D706-R709 IonicContact OD1-NE 2.69Å; D706-R709 IonicContact OD2-CZ 2.74Å; D706-R709 IonicContact OD2-NE 3.59Å; D706-R709 PolarHBondContact OD2-NE 3.5Å; D706-R709 IonicContact OD2-NH2 2.87Å; D706-R709 PolarHBondContact OD2-NH2 2.91Å; D706-W711 HydrophobicContact CB-CZ3 4.41Å; D706-W711 WeakPolarHBondContact OD2-CH2 3.28Å; D706-W711 WeakPolarHBondContact OD2-CZ3 3.5Å; D706-G725 CarbonylContact O-C 3.47Å; D706-G725 WeakPolarHBondContact O-CA 3.5Å; D706-I726 PolarHBondContact O-N 2.98Å
707N91.3Very high95Very high58 Ų5838 Ų3831%0.3119%0.192SC..SBendtrans-56.5-22.1178.3-91.2-107.2000115.2Y673 N675Y673-N707 WeakPolarHBondContact CE1-ND2 3.47Å; Y673-N707 PolarHBondContact OH-N 3.44Å; Y673-N707 PolarHBondContact OH-ND2 3.42Å; Y673-N707 VanDerWaalsContact OH-ND2 3.13Å; N675-N707 WeakPolarHBondContact CB-ND2 3.41Å; N675-N707 PolarHBondContact ND2-OD1 3.05Å; N675-N707 PolarHBondContact OD1-ND2 3.03Å; N675-N707 PolarHBondContact OD1-OD1 3.12Å
708N90.9Very high94.9Very high102 Ų10241.9 Ų41.955%0.54521%0.21SC..SBendtrans-125.7-23-170.2-48.9-89.6000113.1D706 G724 G725D706-N708 PolarHBondContact O-N 2.86Å; D706-N708 VanDerWaalsContact O-N 3.09Å; D706-N708 WeakPolarHBondContact OD1-CA 3.28Å; D706-N708 PolarHBondContact OD1-N 3.3Å; N708-G724 CarbonylContact O-C 3.59Å; N708-G724 PolarHBondContact O-N 3.43Å; N708-G725 PolarHBondContact O-N 2.92Å
709R93.4Very high94.8Very high73 Ų7340.1 Ų40.128%0.27520%0.203SC..EExtended strand (participates in β ladder)trans-148.5150.5-162.2-62.5164.9-60.8-161.510.8113.7V705 D706 W711 R721 T722 E723 G724V705-R709 CarbonylContact C-O 3.54Å; V705-R709 WeakPolarHBondContact CA-O 3.45Å; V705-R709 WeakPolarHBondContact CG2-O 3.42Å; D706-R709 PolarHBondContact N-O 3.33Å; D706-R709 PolarHBondContact OD1-N 2.86Å; D706-R709 IonicContact OD1-NE 2.69Å; D706-R709 IonicContact OD2-CZ 2.74Å; D706-R709 IonicContact OD2-NE 3.59Å; D706-R709 PolarHBondContact OD2-NE 3.5Å; D706-R709 IonicContact OD2-NH2 2.87Å; D706-R709 PolarHBondContact OD2-NH2 2.91Å; R709-W711 HydrophobicContact CB-CE3 4.33Å; R709-W711 HydrophobicContact CB-CH2 3.85Å; R709-W711 HydrophobicContact CB-CZ2 4.44Å; R709-W711 HydrophobicContact CB-CZ3 3.77Å; R709-R721 VanDerWaalsContact CD-NH2 3.31Å; R709-T722 CarbonylContact C-O 3.57Å; R709-T722 VanDerWaalsContact CA-O 3.27Å; R709-T722 WeakPolarHBondContact CA-O 3.42Å; R709-E723 WeakPolarHBondContact CG-OE2 3.42Å; R709-G724 CarbonylContact C-O 3.53Å
710S95.3Very high94.5Very high0 Ų041.7 Ų41.70%021%0.213CC..EExtended strand (participates in β ladder)trans-117.7155.7170.666.70000112.2Y704 R721 T722 G724 Q752Y704-S710 WeakPolarHBondContact O-CA 3.45Å; S710-R721 CarbonylContact O-C 3.56Å; S710-R721 WeakPolarHBondContact O-CA 3.47Å; S710-T722 PolarHBondContact N-O 3.4Å; S710-T722 PolarHBondContact O-N 3.39Å; S710-G724 PolarHBondContact N-O 3.38Å; S710-Q752 PolarHBondContact OG-OE1 3.03Å
711W95.9Very high94.4Very high40 Ų4048.1 Ų48.115%0.15224%0.238CC..EExtended strand (participates in β ladder)trans-144.9151.8172.4-65.7-104.9000109.9M703 Y704 D706 R709 R721M703-W711 CarbonylContact C-O 3.58Å; M703-W711 WeakPolarHBondContact CA-O 3.36Å; M703-W711 WeakPolarHBondContact CG-O 3.48Å; Y704-W711 HydrophobicContact CD1-CB 4.04Å; Y704-W711 HydrophobicContact CD2-CE3 4.12Å; Y704-W711 HydrophobicContact CE1-CB 3.41Å; Y704-W711 VanDerWaalsContact CE1-CB 3.41Å; Y704-W711 HydrophobicContact CE1-CD2 4.46Å; Y704-W711 HydrophobicContact CE1-CG 4.07Å; Y704-W711 HydrophobicContact CE2-CB 4.4Å; Y704-W711 AromaticContact CE2-CD2 3.97Å; Y704-W711 HydrophobicContact CE2-CD2 3.97Å; Y704-W711 AromaticContact CE2-CE3 3.44Å; Y704-W711 HydrophobicContact CE2-CE3 3.44Å; Y704-W711 VanDerWaalsContact CE2-CE3 3.44Å; Y704-W711 HydrophobicContact CE2-CG 4.42Å; Y704-W711 AromaticContact CE2-CZ3 3.89Å; Y704-W711 HydrophobicContact CE2-CZ3 3.89Å; Y704-W711 AromaticContact CZ-CD2 3.71Å; Y704-W711 AromaticContact CZ-CE3 3.69Å; Y704-W711 AromaticContact CZ-CG 3.73Å; Y704-W711 PolarHBondContact N-O 3Å; Y704-W711 PolarHBondContact O-N 2.98Å; D706-W711 HydrophobicContact CB-CZ3 4.41Å; D706-W711 WeakPolarHBondContact OD2-CH2 3.28Å; D706-W711 WeakPolarHBondContact OD2-CZ3 3.5Å; R709-W711 HydrophobicContact CB-CE3 4.33Å; R709-W711 HydrophobicContact CB-CH2 3.85Å; R709-W711 HydrophobicContact CB-CZ2 4.44Å; R709-W711 HydrophobicContact CB-CZ3 3.77Å; W711-R721 HydrophobicContact CD2-CG 4.5Å; W711-R721 HydrophobicContact CG-CB 4.37Å; W711-R721 HydrophobicContact CZ2-CG 4.27Å
712F96.9Very high94.1Very high1 Ų148.3 Ų48.30%0.00424%0.242CC..EExtended strand (participates in β ladder)trans-88.2142.5170.6-47.5-35.6000110.7A702 M703 H718 T719 N720 F745 Q752 A756 F757A702-F712 CarbonylContact O-C 3.43Å; A702-F712 WeakPolarHBondContact O-CA 3.43Å; M703-F712 HydrophobicContact CB-CD1 4.13Å; M703-F712 HydrophobicContact CG-CD1 4.15Å; M703-F712 HydrophobicContact CG-CE1 4.38Å; M703-F712 HydrophobicContact SD-CE1 4.33Å; F712-H718 WeakPolarHBondContact O-CA 3.41Å; F712-T719 PolarHBondContact N-O 2.89Å; F712-T719 PolarHBondContact O-N 2.83Å; F712-N720 HydrophobicContact CD2-CB 3.51Å; F712-N720 HydrophobicContact CE2-CB 3.48Å; F712-N720 VanDerWaalsContact CE2-CB 3.48Å; F712-N720 HydrophobicContact CG-CB 4.43Å; F712-N720 HydrophobicContact CZ-CB 4.41Å; F712-F745 HydrophobicContact CD1-CD2 4.04Å; F712-F745 HydrophobicContact CD1-CE2 4.37Å; F712-F745 AromaticContact CE1-CD2 3.94Å; F712-F745 HydrophobicContact CE1-CD2 3.94Å; F712-Q752 WeakPolarHBondContact CZ-O 3.47Å; F712-A756 HydrophobicContact CD1-CB 3.77Å; F712-A756 HydrophobicContact CD2-CB 3.68Å; F712-A756 HydrophobicContact CE1-CB 3.68Å; F712-A756 HydrophobicContact CE2-CB 3.59Å; F712-A756 HydrophobicContact CG-CB 3.8Å; F712-A756 HydrophobicContact CZ-CB 3.59Å; F712-F757 HydrophobicContact CB-CE1 4.42Å; F712-F757 HydrophobicContact CB-CE2 4.09Å; F712-F757 HydrophobicContact CB-CZ 3.76Å
713M95.8Very high93.8Very high0 Ų053.9 Ų53.90%027%0.268CS..EExtended strand (participates in β ladder)trans-133.3131.8177.8-162.6-166.2-5500112.2M693 G695 K696 A702 Y704 S717 F757M693-M713 HydrophobicContact CG-CE 4.29Å; M693-M713 HydrophobicContact SD-CE 3.59Å; M693-M713 VanDerWaalsContact SD-CE 3.59Å; G695-M713 WeakPolarHBondContact O-CG 3.38Å; K696-M713 HydrophobicContact CG-SD 3.7Å; A702-M713 PolarHBondContact N-O 3.14Å; A702-M713 PolarHBondContact O-N 3.29Å; Y704-M713 HydrophobicContact CD1-CB 3.97Å; Y704-M713 HydrophobicContact CD1-CE 3.32Å; Y704-M713 HydrophobicContact CE1-CB 4.3Å; Y704-M713 HydrophobicContact CE1-CE 3.61Å; Y704-M713 HydrophobicContact CG-CE 3.94Å; M713-S717 WeakPolarHBondContact CA-O 3.47Å; M713-F757 WeakPolarHBondContact O-CZ 3.31Å
714H95.8Very high93.2Very high49 Ų4955.1 Ų55.123%0.22728%0.281CS..EExtended strand (participates in β ladder)trans-154.6138.3170.717361.1000109.3G695 D698 A700 W701 N716 S717 F757G695-H714 CarbonylContact O-C 3.53Å; G695-H714 VanDerWaalsContact O-CA 3.29Å; G695-H714 WeakPolarHBondContact O-CA 3.35Å; D698-H714 PolarHBondContact O-CE1 3.16Å; A700-H714 PolarHBondContact O-ND1 2.66Å; W701-H714 AromaticContact CD1-CG 3.86Å; W701-H714 AromaticContact CD1-ND1 3.81Å; W701-H714 AromaticContact CD2-ND1 3.86Å; W701-H714 AromaticContact CE2-CE1 3.31Å; W701-H714 AromaticContact CE2-ND1 3.51Å; W701-H714 AromaticContact CE2-NE2 3.88Å; W701-H714 AromaticContact CH2-CE1 3.9Å; W701-H714 AromaticContact CZ2-CE1 3.24Å; W701-H714 WeakPolarHBondContact CZ2-CE1 3.38Å; W701-H714 AromaticContact CZ2-ND1 3.9Å; W701-H714 AromaticContact CZ2-NE2 3.81Å; W701-H714 AromaticContact NE1-CD2 3.81Å; W701-H714 AromaticContact NE1-CE1 3.5Å; W701-H714 AromaticContact NE1-CG 3.7Å; W701-H714 AromaticContact NE1-ND1 3.51Å; W701-H714 AromaticContact NE1-NE2 3.69Å; H714-N716 PolarHBondContact O-N 3.02Å; H714-S717 PolarHBondContact N-O 2.9Å; H714-S717 WeakPolarHBondContact O-CB 3.33Å; H714-S717 PolarHBondContact O-N 2.78Å; H714-F757 HydrophobicContact CB-CD1 4.46Å; H714-F757 HydrophobicContact CB-CE1 3.58Å; H714-F757 HydrophobicContact CB-CZ 3.98Å
715N95.6Very high92.8Very high99 Ų9954.7 Ų54.753%0.52928%0.284SS..THydrogen-bonded Turntrans48.842.1-178.2-164.622.4000113.7G695 D697 S717G695-N715 PolarHBondContact O-N 2.81Å; D697-N715 VanDerWaalsContact O-CA 3.3Å; D697-N715 WeakPolarHBondContact O-CA 3.48Å; D697-N715 PolarHBondContact O-N 3.01Å; N715-S717 PolarHBondContact O-N 2.86Å
716N93.1Very high92.8Very high94 Ų9454.7 Ų54.750%0.50329%0.285SS..THydrogen-bonded Turntrans56.120-176.1-159.188.4000114.3G695 K696 H714G695-N716 PolarHBondContact O-N 3.33Å; K696-N716 PolarHBondContact O-N 3.39Å; H714-N716 PolarHBondContact O-N 3.02Å
717S93Very high92.7Very high71 Ų7156.7 Ų56.750%0.49730%0.303SS..EExtended strand (participates in β ladder)trans-98.7140169.5-171.30000109.8M713 H714 N715M713-S717 WeakPolarHBondContact CA-O 3.47Å; H714-S717 PolarHBondContact N-O 2.9Å; H714-S717 WeakPolarHBondContact O-CB 3.33Å; H714-S717 PolarHBondContact O-N 2.78Å; N715-S717 PolarHBondContact O-N 2.86Å
718H93.3Very high92.8Very high88 Ų8861.6 Ų61.641%0.40732%0.321SS..EExtended strand (participates in β ladder)trans-119.1124.1-174.1-62.2-122.9000109.7Y704 F712Y704-H718 AromaticContact CE1-CE1 3.86Å; Y704-H718 AromaticContact CE1-ND1 3.21Å; Y704-H718 WeakPolarHBondContact CE1-ND1 3.44Å; Y704-H718 AromaticContact CZ-CE1 3.96Å; Y704-H718 AromaticContact CZ-ND1 3.34Å; Y704-H718 VanDerWaalsContact CZ-ND1 3.34Å; Y704-H718 PolarHBondContact OH-ND1 3.18Å; F712-H718 WeakPolarHBondContact O-CA 3.41Å
719T92.1Very high92.9Very high53 Ų5359.2 Ų59.233%0.32532%0.321SS..EExtended strand (participates in β ladder)trans-135.2168.6-175.562.10000113.1F712 R721F712-T719 PolarHBondContact N-O 2.89Å; F712-T719 PolarHBondContact O-N 2.83Å; T719-R721 PolarHBondContact O-N 3.35Å
720N90.4Very high93Very high80 Ų8056 Ų5643%0.42831%0.31SS..EExtended strand (participates in β ladder)trans48.651.6165.8-69.378.5000115.8F712 T722 P754F712-N720 HydrophobicContact CD2-CB 3.51Å; F712-N720 HydrophobicContact CE2-CB 3.48Å; F712-N720 VanDerWaalsContact CE2-CB 3.48Å; F712-N720 HydrophobicContact CG-CB 4.43Å; F712-N720 HydrophobicContact CZ-CB 4.41Å; N720-T722 PolarHBondContact O-N 3.15Å; N720-T722 VanDerWaalsContact O-N 3.17Å; N720-T722 PolarHBondContact O-OG1 2.94Å; N720-P754 WeakPolarHBondContact ND2-CG 3.46Å
721R93.3Very high93.1Very high135 Ų13557.8 Ų57.851%0.50932%0.321SS..EExtended strand (participates in β ladder)trans-48.5122.5168.8-179.4176.3156.8169.4-6.1110.5R709 S710 W711 T719 E723R709-R721 VanDerWaalsContact CD-NH2 3.31Å; S710-R721 CarbonylContact O-C 3.56Å; S710-R721 WeakPolarHBondContact O-CA 3.47Å; W711-R721 HydrophobicContact CD2-CG 4.5Å; W711-R721 HydrophobicContact CG-CB 4.37Å; W711-R721 HydrophobicContact CZ2-CG 4.27Å; T719-R721 PolarHBondContact O-N 3.35Å; R721-E723 IonicContact CZ-OE1 3.39Å; R721-E723 IonicContact NE-OE1 3.56Å; R721-E723 PolarHBondContact NE-OE1 2.67Å; R721-E723 IonicContact NH2-OE1 2.62Å; R721-E723 PolarHBondContact NH2-OE1 2.82Å; R721-E723 IonicContact NH2-OE2 2.99Å
722T93.1Very high93.1Very high32 Ų3255.9 Ų55.920%0.19631%0.314CS..EExtended strand (participates in β ladder)trans-122.6142.2174.6-54.10000108.4R709 S710 N720 G753R709-T722 CarbonylContact C-O 3.57Å; R709-T722 VanDerWaalsContact CA-O 3.27Å; R709-T722 WeakPolarHBondContact CA-O 3.42Å; S710-T722 PolarHBondContact N-O 3.4Å; S710-T722 PolarHBondContact O-N 3.39Å; N720-T722 PolarHBondContact O-N 3.15Å; N720-T722 VanDerWaalsContact O-N 3.17Å; N720-T722 PolarHBondContact O-OG1 2.94Å; T722-G753 WeakPolarHBondContact OG1-CA 3.38Å; T722-G753 PolarHBondContact OG1-N 2.86Å
723E90.1Very high93.1Very high117 Ų11755.9 Ų55.955%0.54731%0.314SS..EExtended strand (participates in β ladder)trans-85.7135.8171.9-51-67.4129.300108.2R709 R721R709-E723 WeakPolarHBondContact CG-OE2 3.42Å; R721-E723 IonicContact CZ-OE1 3.39Å; R721-E723 IonicContact NE-OE1 3.56Å; R721-E723 PolarHBondContact NE-OE1 2.67Å; R721-E723 IonicContact NH2-OE1 2.62Å; R721-E723 PolarHBondContact NH2-OE1 2.82Å; R721-E723 IonicContact NH2-OE2 2.99Å
724G84.5Confident93.1Very high26 Ų2655.9 Ų55.927%0.26831%0.314SS..  trans130.398.1-158.500000109.2N708 R709 S710 Q752N708-G724 CarbonylContact O-C 3.59Å; N708-G724 PolarHBondContact O-N 3.43Å; R709-G724 CarbonylContact C-O 3.53Å; S710-G724 PolarHBondContact N-O 3.38Å; G724-Q752 PolarHBondContact O-OE1 3.49Å
725G88.4Confident93.1Very high18 Ų1853.7 Ų53.719%0.18630%0.304CS..  trans-115.3-179.1-177.300000113.4D706 N708D706-G725 CarbonylContact O-C 3.47Å; D706-G725 WeakPolarHBondContact O-CA 3.5Å; N708-G725 PolarHBondContact O-N 2.92Å
726I93.3Very high93.1Very high1 Ų149 Ų491%0.00528%0.279CS..  trans-103.7149.8177.957.8161.5000112.9V670 Y673 P679 V705 D706 A730 I732 I747V670-I726 HydrophobicContact CG2-CB 4.45Å; V670-I726 HydrophobicContact CG2-CD1 4.29Å; Y673-I726 HydrophobicContact CD1-CD1 3.83Å; Y673-I726 HydrophobicContact CD1-CG1 3.84Å; Y673-I726 HydrophobicContact CD2-CD1 4.27Å; Y673-I726 HydrophobicContact CE1-CD1 3.93Å; Y673-I726 HydrophobicContact CE1-CG1 3.67Å; Y673-I726 HydrophobicContact CE2-CD1 4.4Å; Y673-I726 HydrophobicContact CG-CD1 4.01Å; P679-I726 HydrophobicContact CG-CD1 3.47Å; P679-I726 VanDerWaalsContact CG-CD1 3.47Å; V705-I726 HydrophobicContact CG1-CD1 3.98Å; V705-I726 HydrophobicContact CG1-CG1 3.98Å; V705-I726 HydrophobicContact CG1-CG2 3.8Å; V705-I726 HydrophobicContact CG2-CB 4.43Å; V705-I726 HydrophobicContact CG2-CG1 4.18Å; V705-I726 HydrophobicContact CG2-CG2 3.87Å; D706-I726 PolarHBondContact O-N 2.98Å; I726-A730 HydrophobicContact CB-CB 4.35Å; I726-A730 HydrophobicContact CG2-CB 4.38Å; I726-I732 HydrophobicContact CG2-CD1 3.93Å; I726-I732 HydrophobicContact CG2-CG1 4.07Å; I726-I747 HydrophobicContact CG2-CD1 4.35Å
727A92.1Very high93.1Very high54 Ų5444.8 Ų44.845%0.44626%0.256SS..  trans-137.8171.9167.400000108.8G729 A730A727-G729 PolarHBondContact O-N 3.31Å; A727-A730 VanDerWaalsContact O-CB 3.24Å; A727-A730 WeakPolarHBondContact O-CB 3.42Å; A727-A730 PolarHBondContact O-N 2.94Å
728K93.4Very high93Very high160 Ų16042.5 Ų42.570%0.69624%0.239SC*.THydrogen-bonded Turntrans-57.5126.9171.9174.2169.5175.8134.60110.4D671D671-K728 WeakPolarHBondContact O-CD 3.43Å; D671-K728 WeakPolarHBondContact O-CE 3.44Å; D671-K728 PolarHBondContact O-NZ 3.15Å
729G92.9Very high92.8Very high52 Ų5243.3 Ų43.354%0.53625%0.246SC..THydrogen-bonded Turntrans892.2-175.600000115.1V670 A727V670-G729 PolarHBondContact O-N 3.11Å; A727-G729 PolarHBondContact O-N 3.31Å
730A95.1Very high92.7Very high6 Ų647.2 Ų47.25%0.0526%0.255CS..  trans-74.7149170.900000111.6T669 V670 I726 A727 N748T669-A730 WeakPolarHBondContact CA-O 3.45Å; V670-A730 PolarHBondContact N-O 2.85Å; I726-A730 HydrophobicContact CB-CB 4.35Å; I726-A730 HydrophobicContact CG2-CB 4.38Å; A727-A730 VanDerWaalsContact O-CB 3.24Å; A727-A730 WeakPolarHBondContact O-CB 3.42Å; A727-A730 PolarHBondContact O-N 2.94Å; A730-N748 WeakPolarHBondContact CA-OD1 3.39Å
731T96.4Very high92.8Very high37 Ų3746.8 Ų46.823%0.22725%0.249CC..EExtended strand (participates in β ladder)trans-113.7123.4179.4-55.60000110.4E667 L668 I747 N748E667-T731 HydrophobicContact CB-CG2 3.79Å; E667-T731 HydrophobicContact CG-CG2 3.92Å; L668-T731 WeakPolarHBondContact O-CA 3.47Å; T731-I747 CarbonylContact O-C 3.57Å; T731-I747 WeakPolarHBondContact O-CA 3.39Å; T731-N748 PolarHBondContact N-OD1 2.87Å; T731-N748 PolarHBondContact O-N 2.83Å
732I97.1Very high92.9Very high0 Ų041.6 Ų41.60%023%0.232CC..EExtended strand (participates in β ladder)trans-99.9113.6175.5-57.382.9000109E667 L668 V670 F681 M703 I726 V734 F746E667-I732 CarbonylContact C-O 3.5Å; E667-I732 VanDerWaalsContact CA-O 3.28Å; E667-I732 WeakPolarHBondContact CA-O 3.46Å; L668-I732 PolarHBondContact N-O 2.92Å; L668-I732 WeakPolarHBondContact O-CD1 3.36Å; L668-I732 PolarHBondContact O-N 2.8Å; V670-I732 HydrophobicContact CG2-CD1 3.42Å; V670-I732 VanDerWaalsContact CG2-CD1 3.42Å; F681-I732 HydrophobicContact CB-CG2 4.12Å; F681-I732 HydrophobicContact CD1-CB 4.5Å; F681-I732 HydrophobicContact CD1-CG2 4.48Å; F681-I732 HydrophobicContact CD2-CG1 4.08Å; F681-I732 HydrophobicContact CD2-CG2 4.18Å; F681-I732 HydrophobicContact CE1-CD1 4.09Å; F681-I732 HydrophobicContact CE1-CG1 4.4Å; F681-I732 HydrophobicContact CE2-CD1 3.94Å; F681-I732 HydrophobicContact CE2-CG1 3.87Å; F681-I732 HydrophobicContact CG-CB 4.44Å; F681-I732 HydrophobicContact CG-CG1 4.44Å; F681-I732 HydrophobicContact CG-CG2 4.02Å; F681-I732 HydrophobicContact CZ-CD1 3.65Å; F681-I732 HydrophobicContact CZ-CG1 4.04Å; M703-I732 HydrophobicContact CE-CG2 3.98Å; I726-I732 HydrophobicContact CG2-CD1 3.93Å; I726-I732 HydrophobicContact CG2-CG1 4.07Å; I732-V734 HydrophobicContact CG2-CG2 4.49Å; I732-F746 CarbonylContact C-O 3.18Å; I732-F746 WeakPolarHBondContact CA-O 3.37Å
733G96.1Very high93Very high2 Ų240.1 Ų40.12%0.02122%0.222CC..EExtended strand (participates in β ladder)trans-89.4137.3172.600000111.7F745 F746G733-F745 WeakPolarHBondContact O-CA 3.39Å; G733-F746 PolarHBondContact N-O 2.94Å; G733-F746 PolarHBondContact O-N 3.27Å
734V96.7Very high93.2Very high0 Ų034.9 Ų34.90%020%0.199CC..EExtended strand (participates in β ladder)trans-124.4120.8176-171.60000109.5Y665 W666 L668 I732 L743 F745Y665-V734 WeakPolarHBondContact CA-O 3.33Å; Y665-V734 VanDerWaalsContact CD2-O 3.3Å; Y665-V734 WeakPolarHBondContact CD2-O 3.42Å; W666-V734 HydrophobicContact CD2-CB 4.21Å; W666-V734 HydrophobicContact CH2-CB 4.45Å; W666-V734 HydrophobicContact CH2-CG1 3.92Å; W666-V734 HydrophobicContact CZ2-CB 3.77Å; W666-V734 HydrophobicContact CZ2-CG1 3.44Å; W666-V734 VanDerWaalsContact CZ2-CG1 3.44Å; W666-V734 HydrophobicContact CZ2-CG2 4.48Å; W666-V734 PolarHBondContact N-O 3.21Å; W666-V734 PolarHBondContact O-N 3Å; L668-V734 HydrophobicContact CD1-CG2 4.26Å; I732-V734 HydrophobicContact CG2-CG2 4.49Å; V734-L743 HydrophobicContact CG1-CD1 3.85Å; V734-F745 HydrophobicContact CG1-CD1 4.17Å; V734-F745 HydrophobicContact CG1-CE1 3.84Å; V734-F745 HydrophobicContact CG2-CD1 4.08Å; V734-F745 HydrophobicContact CG2-CE1 4.16Å
735L95.3Very high93.8Very high2 Ų233.7 Ų33.71%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-117.2117.1-178.6-176.666.2000111.1V663 Y665 T744 F746 V784 Y788V663-L735 HydrophobicContact CG1-CD1 3.84Å; Y665-L735 HydrophobicContact CD2-CB 3.96Å; Y665-L735 HydrophobicContact CD2-CD1 3.97Å; Y665-L735 HydrophobicContact CG-CD1 4.35Å; L735-T744 PolarHBondContact N-O 2.79Å; L735-T744 PolarHBondContact O-N 3.16Å; L735-F746 HydrophobicContact CB-CE2 3.82Å; L735-F746 HydrophobicContact CD2-CE2 4.19Å; L735-F746 HydrophobicContact CD2-CZ 4.37Å; L735-V784 HydrophobicContact CD1-CG1 3.94Å; L735-V784 HydrophobicContact CD1-CG2 4.31Å; L735-Y788 HydrophobicContact CD2-CD1 4.23Å; L735-Y788 HydrophobicContact CD2-CD2 3.31Å; L735-Y788 HydrophobicContact CD2-CE1 4.35Å; L735-Y788 HydrophobicContact CD2-CE2 3.45Å; L735-Y788 VanDerWaalsContact CD2-CE2 3.45Å; L735-Y788 HydrophobicContact CD2-CG 3.72Å
736L94.9Very high94.1Very high0 Ų033.1 Ų33.10%018%0.178CC..EExtended strand (participates in β ladder)trans-115103.5-180-178.372.8000109.9F659 V663 H664 W666 V683 L738 L743 V760 F764F659-L736 HydrophobicContact CB-CD2 4.16Å; F659-L736 HydrophobicContact CD2-CD2 4.24Å; V663-L736 WeakPolarHBondContact CA-O 3.21Å; H664-L736 PolarHBondContact N-O 3.03Å; H664-L736 PolarHBondContact O-N 3.28Å; W666-L736 HydrophobicContact CH2-CB 4.2Å; W666-L736 HydrophobicContact CZ3-CB 4.16Å; V683-L736 HydrophobicContact CG1-CD1 4.43Å; V683-L736 HydrophobicContact CG1-CD2 4.35Å; V683-L736 HydrophobicContact CG2-CD1 4.48Å; L736-L738 HydrophobicContact CD1-CD2 3.87Å; L736-L738 HydrophobicContact CD1-CG 4.41Å; L736-L738 HydrophobicContact CD2-CD1 4Å; L736-L738 HydrophobicContact CD2-CD2 4.07Å; L736-L738 HydrophobicContact CD2-CG 4.01Å; L736-L738 HydrophobicContact CG-CD1 4.44Å; L736-L738 HydrophobicContact CG-CD2 3.91Å; L736-L738 HydrophobicContact CG-CG 3.9Å; L736-L743 HydrophobicContact CB-CD1 4.3Å; L736-L743 HydrophobicContact CD1-CD1 4.03Å; L736-V760 HydrophobicContact CD1-CG1 3.98Å; L736-F764 HydrophobicContact CD2-CB 4.38Å
737D93.3Very high94.2Very high6 Ų633.3 Ų33.33%0.03218%0.179CC..EExtended strand (participates in β ladder)trans-98.498.3171.7-175-11.6000110V663 N739 R740 K741 N742 Y788V663-D737 HydrophobicContact CG1-CB 4.06Å; V663-D737 HydrophobicContact CG2-CB 4.23Å; D737-N739 VanDerWaalsContact C-N 3.25Å; D737-N739 PolarHBondContact O-N 3.04Å; D737-N739 WeakPolarHBondContact OD1-CA 3.23Å; D737-N739 VanDerWaalsContact OD1-CB 3.24Å; D737-N739 WeakPolarHBondContact OD1-CB 3.39Å; D737-N739 PolarHBondContact OD1-N 3.36Å; D737-N739 PolarHBondContact OD1-ND2 2.98Å; D737-N739 VanDerWaalsContact OD1-ND2 3.13Å; D737-R740 HydrophobicContact CB-CB 4.31Å; D737-R740 PolarHBondContact OD1-N 3.28Å; D737-R740 WeakPolarHBondContact OD2-CB 3.44Å; D737-R740 WeakPolarHBondContact OD2-CD 3.41Å; D737-R740 WeakPolarHBondContact OD2-CG 3.27Å; D737-R740 IonicContact OD2-NE 2.74Å; D737-K741 CarbonylContact O-C 3.6Å; D737-K741 VanDerWaalsContact O-CA 3.26Å; D737-K741 WeakPolarHBondContact O-CA 3.34Å; D737-K741 PolarHBondContact O-N 3.39Å; D737-N742 PolarHBondContact N-O 3.44Å; D737-N742 PolarHBondContact O-N 2.89Å; D737-Y788 PolarHBondContact OD2-OH 3.44Å; D737-Y788 VanDerWaalsContact OD2-OH 3.11Å
738L91.1Very high94.3Very high23 Ų2334.9 Ų34.912%0.1218%0.18CC..THydrogen-bonded Turntrans-80.1-3.7177.4-62.1173.5000113.3F659 G662 L736 F764F659-L738 VanDerWaalsContact C-CD1 3.49Å; F659-L738 HydrophobicContact CB-CD1 3.85Å; G662-L738 WeakPolarHBondContact O-CB 3.48Å; G662-L738 PolarHBondContact O-N 3.24Å; L736-L738 HydrophobicContact CD1-CD2 3.87Å; L736-L738 HydrophobicContact CD1-CG 4.41Å; L736-L738 HydrophobicContact CD2-CD1 4Å; L736-L738 HydrophobicContact CD2-CD2 4.07Å; L736-L738 HydrophobicContact CD2-CG 4.01Å; L736-L738 HydrophobicContact CG-CD1 4.44Å; L736-L738 HydrophobicContact CG-CD2 3.91Å; L736-L738 HydrophobicContact CG-CG 3.9Å; L738-F764 HydrophobicContact CD2-CD2 3.88Å; L738-F764 HydrophobicContact CD2-CE2 4.07Å
739N89.8Confident94Very high105 Ų10532.6 Ų32.656%0.56118%0.175SC*.THydrogen-bonded Turntrans-85.4-39.3170.5-39.6-63.6000110.6G662 V663 D737G662-N739 WeakPolarHBondContact CA-OD1 3.42Å; G662-N739 PolarHBondContact N-OD1 3.48Å; G662-N739 VanDerWaalsContact N-OD1 3.17Å; V663-N739 VanDerWaalsContact CG2-ND2 3.28Å; V663-N739 WeakPolarHBondContact CG2-ND2 3.42Å; D737-N739 VanDerWaalsContact C-N 3.25Å; D737-N739 PolarHBondContact O-N 3.04Å; D737-N739 WeakPolarHBondContact OD1-CA 3.23Å; D737-N739 VanDerWaalsContact OD1-CB 3.24Å; D737-N739 WeakPolarHBondContact OD1-CB 3.39Å; D737-N739 PolarHBondContact OD1-N 3.36Å; D737-N739 PolarHBondContact OD1-ND2 2.98Å; D737-N739 VanDerWaalsContact OD1-ND2 3.13Å
740R89.9Confident93.9Very high135 Ų13536.9 Ų36.951%0.50918%0.182SC..THydrogen-bonded Turntrans-87.3-12.8171.3-66.2-179.9-169.5-115.61.3113.7D737 N742D737-R740 HydrophobicContact CB-CB 4.31Å; D737-R740 PolarHBondContact OD1-N 3.28Å; D737-R740 WeakPolarHBondContact OD2-CB 3.44Å; D737-R740 WeakPolarHBondContact OD2-CD 3.41Å; D737-R740 WeakPolarHBondContact OD2-CG 3.27Å; D737-R740 IonicContact OD2-NE 2.74Å; R740-N742 HydrophobicContact CB-CB 4.5Å; R740-N742 PolarHBondContact O-OD1 2.93Å
741K92.3Very high93.8Very high71 Ų7139.2 Ų39.231%0.30919%0.191SC..THydrogen-bonded Turntrans65.535-175.8-51.4173177.2-176.50113.8D737 D758 N759 V760 E761D737-K741 CarbonylContact O-C 3.6Å; D737-K741 VanDerWaalsContact O-CA 3.26Å; D737-K741 WeakPolarHBondContact O-CA 3.34Å; D737-K741 PolarHBondContact O-N 3.39Å; K741-D758 CarbonylContact O-C 3.53Å; K741-D758 VanDerWaalsContact O-C 3.27Å; K741-D758 WeakPolarHBondContact O-CA 3.35Å; K741-N759 PolarHBondContact O-N 3.03Å; K741-V760 PolarHBondContact O-N 3.12Å; K741-E761 HydrophobicContact CD-CG 3.67Å; K741-E761 WeakPolarHBondContact CE-OE1 3.41Å; K741-E761 HydrophobicContact CG-CG 4.11Å; K741-E761 IonicContact NZ-OE1 2.61Å; K741-E761 PolarHBondContact NZ-OE1 3.08Å; K741-E761 IonicContact NZ-OE2 2.86Å; K741-E761 PolarHBondContact NZ-OE2 3.07Å
742N94.3Very high93.6Very high27 Ų2737.8 Ų37.814%0.14418%0.182CC..EExtended strand (participates in β ladder)trans-115.4141.6-173.1-67.8-15.4000112.2D737 R740 I755 F757D737-N742 PolarHBondContact N-O 3.44Å; D737-N742 PolarHBondContact O-N 2.89Å; R740-N742 HydrophobicContact CB-CB 4.5Å; R740-N742 PolarHBondContact O-OD1 2.93Å; N742-I755 HydrophobicContact CB-CG2 3.88Å; N742-F757 WeakPolarHBondContact CA-O 3.42Å
743L95.9Very high93.2Very high0 Ų038.9 Ų38.90%019%0.193CC..EExtended strand (participates in β ladder)trans-112.5139.7166.4-175.158.2000109.8V683 W701 V734 L736 F745 A756 F757 V760V683-L743 HydrophobicContact CG1-CD1 4.21Å; V683-L743 HydrophobicContact CG2-CD2 3.81Å; W701-L743 HydrophobicContact CB-CD2 3.82Å; V734-L743 HydrophobicContact CG1-CD1 3.85Å; L736-L743 HydrophobicContact CB-CD1 4.3Å; L736-L743 HydrophobicContact CD1-CD1 4.03Å; L743-F745 HydrophobicContact CD1-CZ 4.34Å; L743-F745 HydrophobicContact CD2-CE2 4.04Å; L743-F745 HydrophobicContact CD2-CZ 3.65Å; L743-F745 HydrophobicContact CG-CE2 3.98Å; L743-F745 HydrophobicContact CG-CZ 3.83Å; L743-A756 PolarHBondContact O-N 3.01Å; L743-F757 HydrophobicContact CB-CB 4.39Å; L743-F757 HydrophobicContact CB-CD2 4.35Å; L743-F757 HydrophobicContact CD2-CD2 3.93Å; L743-F757 HydrophobicContact CD2-CE2 4.44Å; L743-F757 HydrophobicContact CG-CD2 4.46Å; L743-F757 PolarHBondContact N-O 2.94Å; L743-V760 HydrophobicContact CB-CG2 4.27Å
744T95.3Very high92.9Very high8 Ų841.9 Ų41.95%0.04921%0.213CC..EExtended strand (participates in β ladder)trans-146.8144.8-179.8-56.30000110.5L735 F746 Q751L735-T744 PolarHBondContact N-O 2.79Å; L735-T744 PolarHBondContact O-N 3.16Å; T744-F746 HydrophobicContact CG2-CE2 3.83Å; T744-F746 HydrophobicContact CG2-CZ 3.77Å; T744-Q751 HydrophobicContact CG2-CG 3.8Å
745F96.4Very high92.5Very high0 Ų046.1 Ų46.10%023%0.234CC..EExtended strand (participates in β ladder)trans-120.7150.6-174.5-62.2-77.3000111.8F681 M703 F712 G733 V734 L743 Q752 A756 F757F681-F745 VanDerWaalsContact O-CE1 3.28Å; F681-F745 WeakPolarHBondContact O-CE1 3.39Å; M703-F745 HydrophobicContact CB-CB 4.36Å; M703-F745 HydrophobicContact CB-CD1 3.96Å; M703-F745 HydrophobicContact CB-CD2 3.65Å; M703-F745 HydrophobicContact CB-CE1 4.11Å; M703-F745 HydrophobicContact CB-CE2 3.82Å; M703-F745 HydrophobicContact CB-CG 3.72Å; M703-F745 HydrophobicContact CB-CZ 4.04Å; M703-F745 HydrophobicContact CE-CB 3.85Å; M703-F745 HydrophobicContact CE-CD1 4.45Å; M703-F745 HydrophobicContact CE-CG 4.29Å; M703-F745 HydrophobicContact CG-CG 4.46Å; M703-F745 HydrophobicContact SD-CB 3.52Å; M703-F745 VanDerWaalsContact SD-CB 3.52Å; M703-F745 HydrophobicContact SD-CD2 4.38Å; M703-F745 HydrophobicContact SD-CG 3.97Å; F712-F745 HydrophobicContact CD1-CD2 4.04Å; F712-F745 HydrophobicContact CD1-CE2 4.37Å; F712-F745 AromaticContact CE1-CD2 3.94Å; F712-F745 HydrophobicContact CE1-CD2 3.94Å; G733-F745 WeakPolarHBondContact O-CA 3.39Å; V734-F745 HydrophobicContact CG1-CD1 4.17Å; V734-F745 HydrophobicContact CG1-CE1 3.84Å; V734-F745 HydrophobicContact CG2-CD1 4.08Å; V734-F745 HydrophobicContact CG2-CE1 4.16Å; L743-F745 HydrophobicContact CD1-CZ 4.34Å; L743-F745 HydrophobicContact CD2-CE2 4.04Å; L743-F745 HydrophobicContact CD2-CZ 3.65Å; L743-F745 HydrophobicContact CG-CE2 3.98Å; L743-F745 HydrophobicContact CG-CZ 3.83Å; F745-Q752 HydrophobicContact CB-CB 4.41Å; F745-Q752 PolarHBondContact O-N 3.39Å; F745-A756 HydrophobicContact CD2-CB 3.6Å; F745-A756 HydrophobicContact CE2-CB 3.71Å; F745-F757 HydrophobicContact CE2-CD2 4.47Å; F745-F757 HydrophobicContact CE2-CE2 4.19Å
746F95Very high92.1Very high6 Ų646.5 Ų46.53%0.02624%0.238CC..EExtended strand (participates in β ladder)trans-135.5147.6-179.4-57.4-94.7000109.5Y665 I732 G733 L735 T744 E750 Q751 F787Y665-F746 HydrophobicContact CE2-CD2 4.31Å; I732-F746 CarbonylContact C-O 3.18Å; I732-F746 WeakPolarHBondContact CA-O 3.37Å; G733-F746 PolarHBondContact N-O 2.94Å; G733-F746 PolarHBondContact O-N 3.27Å; L735-F746 HydrophobicContact CB-CE2 3.82Å; L735-F746 HydrophobicContact CD2-CE2 4.19Å; L735-F746 HydrophobicContact CD2-CZ 4.37Å; T744-F746 HydrophobicContact CG2-CE2 3.83Å; T744-F746 HydrophobicContact CG2-CZ 3.77Å; F746-E750 CarbonylContact C-O 3.52Å; F746-E750 VanDerWaalsContact CA-O 3.32Å; F746-E750 WeakPolarHBondContact CA-O 3.37Å; F746-Q751 HydrophobicContact CD1-CB 3.86Å; F746-Q751 HydrophobicContact CD1-CG 4.38Å; F746-Q751 HydrophobicContact CE1-CB 3.64Å; F746-Q751 HydrophobicContact CE1-CG 3.94Å; F746-Q751 HydrophobicContact CZ-CG 4.35Å; F746-F787 AromaticContact CD1-CE2 3.96Å; F746-F787 HydrophobicContact CD1-CE2 3.96Å; F746-F787 AromaticContact CD1-CZ 3.97Å; F746-F787 HydrophobicContact CD1-CZ 3.97Å; F746-F787 HydrophobicContact CE1-CD2 4.29Å; F746-F787 AromaticContact CE1-CE2 3.35Å; F746-F787 HydrophobicContact CE1-CE2 3.35Å; F746-F787 AromaticContact CE1-CZ 3.85Å; F746-F787 HydrophobicContact CE1-CZ 3.85Å; F746-F787 AromaticContact CZ-CE2 3.75Å; F746-F787 HydrophobicContact CZ-CE2 3.75Å; F746-F787 HydrophobicContact CZ-CZ 4.43Å
747I95.4Very high92Very high6 Ų647.9 Ų47.93%0.03124%0.244CC..EExtended strand (participates in β ladder)trans-129.8119.7168.5-63.5173.5000106.6M703 V705 I726 T731 D749 E750 Q752M703-I747 HydrophobicContact CE-CD1 3.99Å; M703-I747 HydrophobicContact CE-CG1 4.01Å; V705-I747 HydrophobicContact CG2-CD1 3.76Å; I726-I747 HydrophobicContact CG2-CD1 4.35Å; T731-I747 CarbonylContact O-C 3.57Å; T731-I747 WeakPolarHBondContact O-CA 3.39Å; I747-D749 PolarHBondContact O-N 2.8Å; I747-E750 PolarHBondContact N-O 3.43Å; I747-E750 PolarHBondContact O-N 2.81Å; I747-Q752 HydrophobicContact CB-CG 4.21Å; I747-Q752 HydrophobicContact CD1-CG 3.68Å; I747-Q752 HydrophobicContact CG1-CG 3.66Å
748N92.9Very high91.8Very high86 Ų8652.7 Ų52.746%0.4627%0.27SS..THydrogen-bonded Turntrans50.254.3-177.5-50.6-33.9000112.1A730 T731 E750A730-N748 WeakPolarHBondContact CA-OD1 3.39Å; T731-N748 PolarHBondContact N-OD1 2.87Å; T731-N748 PolarHBondContact O-N 2.83Å; N748-E750 PolarHBondContact O-N 3.21Å
749D88.8Confident91.6Very high112 Ų11256.8 Ų56.860%0.59929%0.292SS*.THydrogen-bonded Turntrans62.6-12.8-172.2-64.2-55.6000117I747I747-D749 PolarHBondContact O-N 2.8Å
750E90.4Very high91.5Very high143 Ų14352 Ų5267%0.66827%0.266SS*.EExtended strand (participates in β ladder)trans-82.5122.1178.1-63.3-162.5153.600112.2F746 I747 N748 Q752F746-E750 CarbonylContact C-O 3.52Å; F746-E750 VanDerWaalsContact CA-O 3.32Å; F746-E750 WeakPolarHBondContact CA-O 3.37Å; I747-E750 PolarHBondContact N-O 3.43Å; I747-E750 PolarHBondContact O-N 2.81Å; N748-E750 PolarHBondContact O-N 3.21Å; E750-Q752 PolarHBondContact O-N 3.19Å; E750-Q752 PolarHBondContact O-NE2 3.12Å
751Q92.8Very high91.3Very high54 Ų5450.6 Ų50.625%0.25227%0.265SS..EExtended strand (participates in β ladder)trans-62.1123.6178-173.5-173.1-27.100111T744 F746 G753 P754T744-Q751 HydrophobicContact CG2-CG 3.8Å; F746-Q751 HydrophobicContact CD1-CB 3.86Å; F746-Q751 HydrophobicContact CD1-CG 4.38Å; F746-Q751 HydrophobicContact CE1-CB 3.64Å; F746-Q751 HydrophobicContact CE1-CG 3.94Å; F746-Q751 HydrophobicContact CZ-CG 4.35Å; Q751-G753 PolarHBondContact NE2-O 2.72Å; Q751-G753 PolarHBondContact O-N 2.78Å; Q751-P754 PolarHBondContact NE2-O 2.94Å
752Q92.7Very high91.2Very high7 Ų749 Ų493%0.03327%0.27CS..EExtended strand (participates in β ladder)trans-80.9117.4172.4-63.1-57-62.900109.7M703 S710 F712 G724 F745 I747 E750M703-Q752 HydrophobicContact CE-CG 4.29Å; M703-Q752 HydrophobicContact SD-CB 3.65Å; M703-Q752 HydrophobicContact SD-CG 3.77Å; S710-Q752 PolarHBondContact OG-OE1 3.03Å; F712-Q752 WeakPolarHBondContact CZ-O 3.47Å; G724-Q752 PolarHBondContact O-OE1 3.49Å; F745-Q752 HydrophobicContact CB-CB 4.41Å; F745-Q752 PolarHBondContact O-N 3.39Å; I747-Q752 HydrophobicContact CB-CG 4.21Å; I747-Q752 HydrophobicContact CD1-CG 3.68Å; I747-Q752 HydrophobicContact CG1-CG 3.66Å; E750-Q752 PolarHBondContact O-N 3.19Å; E750-Q752 PolarHBondContact O-NE2 3.12Å
753G88.8Confident91.2Very high23 Ų2351.8 Ų51.824%0.23728%0.284CS..EExtended strand (participates in β ladder)trans63.4-163175.600000115.1T722 Q751T722-G753 WeakPolarHBondContact OG1-CA 3.38Å; T722-G753 PolarHBondContact OG1-N 2.86Å; Q751-G753 PolarHBondContact NE2-O 2.72Å; Q751-G753 PolarHBondContact O-N 2.78Å
754P89.4Confident91.2Very high66 Ų6651.8 Ų51.843%0.42928%0.284SS..EExtended strand (participates in β ladder)trans-72.8-161.816933.9-36.4000110.9N720 Q751 A756N720-P754 WeakPolarHBondContact ND2-CG 3.46Å; Q751-P754 PolarHBondContact NE2-O 2.94Å; P754-A756 PolarHBondContact O-N 3.32Å
755I88.3Confident91.3Very high88 Ų8852.6 Ų52.645%0.45129%0.287SS..EExtended strand (participates in β ladder)trans-59.3129.4162.1-66.1162.7000107.3N742N742-I755 HydrophobicContact CB-CG2 3.88Å
756A86.5Confident91.4Very high10 Ų1052.7 Ų52.78%0.08329%0.288CS..EExtended strand (participates in β ladder)trans-77.3-41.2-167.900000112.9F712 L743 F745 P754F712-A756 HydrophobicContact CD1-CB 3.77Å; F712-A756 HydrophobicContact CD2-CB 3.68Å; F712-A756 HydrophobicContact CE1-CB 3.68Å; F712-A756 HydrophobicContact CE2-CB 3.59Å; F712-A756 HydrophobicContact CG-CB 3.8Å; F712-A756 HydrophobicContact CZ-CB 3.59Å; L743-A756 PolarHBondContact O-N 3.01Å; F745-A756 HydrophobicContact CD2-CB 3.6Å; F745-A756 HydrophobicContact CE2-CB 3.71Å; P754-A756 PolarHBondContact O-N 3.32Å
757F92.8Very high91.5Very high29 Ų2952.6 Ų52.613%0.12729%0.288CS..EExtended strand (participates in β ladder)trans-144.9139.5175.7-55.6-82.4000109.5W701 F712 M713 H714 N742 L743 F745 V760W701-F757 HydrophobicContact CB-CD2 3.95Å; W701-F757 HydrophobicContact CB-CE2 3.96Å; W701-F757 HydrophobicContact CB-CG 4.38Å; W701-F757 HydrophobicContact CB-CZ 4.42Å; W701-F757 AromaticContact CD1-CD1 3.63Å; W701-F757 AromaticContact CD1-CG 3.64Å; W701-F757 HydrophobicContact CG-CD2 4.47Å; W701-F757 HydrophobicContact CG-CG 4.41Å; F712-F757 HydrophobicContact CB-CE1 4.42Å; F712-F757 HydrophobicContact CB-CE2 4.09Å; F712-F757 HydrophobicContact CB-CZ 3.76Å; M713-F757 WeakPolarHBondContact O-CZ 3.31Å; H714-F757 HydrophobicContact CB-CD1 4.46Å; H714-F757 HydrophobicContact CB-CE1 3.58Å; H714-F757 HydrophobicContact CB-CZ 3.98Å; N742-F757 WeakPolarHBondContact CA-O 3.42Å; L743-F757 HydrophobicContact CB-CB 4.39Å; L743-F757 HydrophobicContact CB-CD2 4.35Å; L743-F757 HydrophobicContact CD2-CD2 3.93Å; L743-F757 HydrophobicContact CD2-CE2 4.44Å; L743-F757 HydrophobicContact CG-CD2 4.46Å; L743-F757 PolarHBondContact N-O 2.94Å; F745-F757 HydrophobicContact CE2-CD2 4.47Å; F745-F757 HydrophobicContact CE2-CE2 4.19Å; F757-V760 HydrophobicContact CB-CG2 3.81Å
758D89.4Confident91.6Very high108 Ų10852.4 Ų52.458%0.57829%0.287SS*.SBendtrans-104.5177.116966.625.4000110.9K741 V760K741-D758 CarbonylContact O-C 3.53Å; K741-D758 VanDerWaalsContact O-C 3.27Å; K741-D758 WeakPolarHBondContact O-CA 3.35Å; D758-V760 PolarHBondContact O-N 2.83Å
759N87.7Confident91.8Very high109 Ų10948.3 Ų48.358%0.58327%0.265SS*.  trans53.127.1177.7-60.5-69.1000114.9K741 E761K741-N759 PolarHBondContact O-N 3.03Å; N759-E761 PolarHBondContact O-N 2.7Å
760V87.3Confident92.1Very high4 Ų443 Ų432%0.02424%0.237CC..  trans-70.989.7-179.1-176.80000110.3L736 K741 L743 F757 D758 F764L736-V760 HydrophobicContact CD1-CG1 3.98Å; K741-V760 PolarHBondContact O-N 3.12Å; L743-V760 HydrophobicContact CB-CG2 4.27Å; F757-V760 HydrophobicContact CB-CG2 3.81Å; D758-V760 PolarHBondContact O-N 2.83Å; V760-F764 HydrophobicContact CB-CZ 4.47Å; V760-F764 HydrophobicContact CG1-CD2 4.1Å; V760-F764 HydrophobicContact CG1-CE1 4.01Å; V760-F764 HydrophobicContact CG1-CE2 3.51Å; V760-F764 HydrophobicContact CG1-CZ 3.46Å; V760-F764 VanDerWaalsContact CG1-CZ 3.46Å
761E86.1Confident92.2Very high105 Ų10536.3 Ų36.349%0.49121%0.205SC..  trans-114.7137.2-175.4-68.5-167.1-119.400115.4R685 K741 N759 F764R685-E761 PolarHBondContact NH1-O 3.34Å; R685-E761 PolarHBondContact NH2-O 3.17Å; K741-E761 HydrophobicContact CD-CG 3.67Å; K741-E761 WeakPolarHBondContact CE-OE1 3.41Å; K741-E761 HydrophobicContact CG-CG 4.11Å; K741-E761 IonicContact NZ-OE1 2.61Å; K741-E761 PolarHBondContact NZ-OE1 3.08Å; K741-E761 IonicContact NZ-OE2 2.86Å; K741-E761 PolarHBondContact NZ-OE2 3.07Å; N759-E761 PolarHBondContact O-N 2.7Å; E761-F764 VanDerWaalsContact C-CZ 3.43Å; E761-F764 WeakPolarHBondContact O-CE2 3.27Å; E761-F764 WeakPolarHBondContact O-CZ 3.37Å
762G89.3Confident92.2Very high39 Ų3939.8 Ų39.840%0.40222%0.216SC..SBendtrans129-153.9174.200000113.7S660S660-G762 WeakPolarHBondContact CA-O 3.25Å
763L94.4Very high92.1Very high84 Ų8441.4 Ų41.444%0.4423%0.225SC..  trans-98.5123.5169.5179.569.2000108.5F659 F765F659-L763 WeakPolarHBondContact O-CA 3.28Å; L763-F765 HydrophobicContact CD2-CE2 3.88Å; L763-F765 HydrophobicContact CD2-CZ 3.9Å; L763-F765 HydrophobicContact CG-CE2 3.94Å; L763-F765 HydrophobicContact CG-CZ 4.24Å
764F96.5Very high92.4Very high0 Ų040.3 Ų40.30%021%0.214CC..BIsolated β-bridgetrans-125.4138.5-178.2-61.9-80.6000111.5G658 F659 V683 A684 W701 L736 L738 V760 E761G658-F764 CarbonylContact C-O 3.51Å; G658-F764 VanDerWaalsContact CA-O 3.3Å; G658-F764 WeakPolarHBondContact CA-O 3.46Å; F659-F764 PolarHBondContact N-O 3.22Å; F659-F764 PolarHBondContact O-N 3.49Å; V683-F764 HydrophobicContact CB-CB 4.14Å; V683-F764 HydrophobicContact CG2-CB 4.27Å; V683-F764 HydrophobicContact CG2-CD1 4.02Å; V683-F764 HydrophobicContact CG2-CG 4.3Å; A684-F764 WeakPolarHBondContact O-CA 3.39Å; W701-F764 HydrophobicContact CD2-CE1 4.45Å; W701-F764 HydrophobicContact CE3-CD1 4.24Å; W701-F764 AromaticContact CE3-CE1 3.72Å; W701-F764 HydrophobicContact CE3-CE1 3.72Å; W701-F764 HydrophobicContact CH2-CE1 4.22Å; W701-F764 HydrophobicContact CZ3-CD1 4.3Å; W701-F764 AromaticContact CZ3-CE1 3.6Å; W701-F764 HydrophobicContact CZ3-CE1 3.6Å; L736-F764 HydrophobicContact CD2-CB 4.38Å; L738-F764 HydrophobicContact CD2-CD2 3.88Å; L738-F764 HydrophobicContact CD2-CE2 4.07Å; V760-F764 HydrophobicContact CB-CZ 4.47Å; V760-F764 HydrophobicContact CG1-CD2 4.1Å; V760-F764 HydrophobicContact CG1-CE1 4.01Å; V760-F764 HydrophobicContact CG1-CE2 3.51Å; V760-F764 HydrophobicContact CG1-CZ 3.46Å; V760-F764 VanDerWaalsContact CG1-CZ 3.46Å; E761-F764 VanDerWaalsContact C-CZ 3.43Å; E761-F764 WeakPolarHBondContact O-CE2 3.27Å; E761-F764 WeakPolarHBondContact O-CZ 3.37Å
765F97.4Very high92.7Very high25 Ų2539.4 Ų39.411%0.1120%0.204CC..EExtended strand (participates in β ladder)trans-105.9137.4174.7-62.5-95.9000108.6L654 G655 V683 A684 M686 L763 A767L654-F765 HydrophobicContact CB-CB 4.45Å; L654-F765 HydrophobicContact CD2-CB 4.34Å; G655-F765 WeakPolarHBondContact O-CD1 2.95Å; V683-F765 CarbonylContact C-O 3.41Å; V683-F765 VanDerWaalsContact CA-O 3.26Å; V683-F765 WeakPolarHBondContact CA-O 3.47Å; A684-F765 PolarHBondContact N-O 2.87Å; A684-F765 PolarHBondContact O-N 3.43Å; M686-F765 HydrophobicContact CB-CD2 4.41Å; M686-F765 HydrophobicContact CB-CE2 3.9Å; M686-F765 HydrophobicContact CG-CE2 4.43Å; M686-F765 HydrophobicContact SD-CD1 4.49Å; M686-F765 HydrophobicContact SD-CD2 4.29Å; M686-F765 HydrophobicContact SD-CE1 4.05Å; M686-F765 HydrophobicContact SD-CE2 3.85Å; M686-F765 HydrophobicContact SD-CZ 3.71Å; L763-F765 HydrophobicContact CD2-CE2 3.88Å; L763-F765 HydrophobicContact CD2-CZ 3.9Å; L763-F765 HydrophobicContact CG-CE2 3.94Å; L763-F765 HydrophobicContact CG-CZ 4.24Å; F765-A767 PolarHBondContact O-N 3.07Å
766P97.3Very high93.1Very high3 Ų335.2 Ų35.22%0.01918%0.182CC..EExtended strand (participates in β ladder)trans-50.5136.3165.8-28.938.6000110.3F623 L654 G655 T657 F659 W666F623-P766 HydrophobicContact CD2-CB 4.49Å; F623-P766 HydrophobicContact CD2-CG 4.2Å; F623-P766 HydrophobicContact CE1-CG 4.09Å; F623-P766 HydrophobicContact CE2-CB 3.57Å; F623-P766 HydrophobicContact CE2-CG 3.5Å; F623-P766 HydrophobicContact CZ-CB 3.81Å; F623-P766 HydrophobicContact CZ-CG 3.45Å; F623-P766 VanDerWaalsContact CZ-CG 3.45Å; L654-P766 CarbonylContact C-O 3.56Å; L654-P766 WeakPolarHBondContact CA-O 3.47Å; G655-P766 PolarHBondContact N-O 2.82Å; T657-P766 WeakPolarHBondContact O-CD 3.49Å; F659-P766 HydrophobicContact CD2-CG 4.26Å; F659-P766 HydrophobicContact CE2-CG 3.6Å; F659-P766 HydrophobicContact CZ-CG 4.44Å; W666-P766 HydrophobicContact CD2-CB 4.45Å; W666-P766 HydrophobicContact CD2-CG 4.33Å; W666-P766 HydrophobicContact CE3-CG 4.4Å; W666-P766 HydrophobicContact CH2-CB 4.26Å; W666-P766 HydrophobicContact CH2-CG 3.91Å; W666-P766 HydrophobicContact CZ2-CB 3.63Å; W666-P766 HydrophobicContact CZ2-CG 3.79Å; W666-P766 HydrophobicContact CZ3-CG 4.21Å
767A97.6Very high93.7Very high3 Ų335.5 Ų35.53%0.02518%0.183CC..EExtended strand (participates in β ladder)trans-143.2146.8-171.600000111.9V653 L654 G682 A684 L694 F765V653-A767 WeakPolarHBondContact O-CA 3.48Å; L654-A767 HydrophobicContact CD2-CB 3.66Å; G682-A767 PolarHBondContact N-O 3.24Å; G682-A767 PolarHBondContact O-N 3.4Å; A684-A767 HydrophobicContact CB-CB 3.88Å; L694-A767 HydrophobicContact CD1-CB 3.64Å; L694-A767 HydrophobicContact CD2-CB 3.76Å; L694-A767 WeakPolarHBondContact CD2-O 3.39Å; L694-A767 HydrophobicContact CG-CB 4.37Å; F765-A767 PolarHBondContact O-N 3.07Å
768V97.4Very high93.9Very high2 Ų234.3 Ų34.31%0.01218%0.178CC..EExtended strand (participates in β ladder)trans-139.3139.4174.3-174.20000108.2F625 V652 V653 L668 A680 F681 L770 V776F625-V768 HydrophobicContact CE1-CG2 4.01Å; F625-V768 HydrophobicContact CZ-CG2 4.02Å; V652-V768 CarbonylContact C-O 3.48Å; V652-V768 WeakPolarHBondContact CA-O 3.39Å; V653-V768 HydrophobicContact CG1-CB 4.13Å; V653-V768 PolarHBondContact N-O 3.26Å; V653-V768 PolarHBondContact O-N 3.18Å; V653-V768 VanDerWaalsContact O-N 3.13Å; L668-V768 HydrophobicContact CD2-CG2 3.47Å; L668-V768 VanDerWaalsContact CD2-CG2 3.47Å; A680-V768 CarbonylContact O-C 3.54Å; A680-V768 VanDerWaalsContact O-CA 3.28Å; A680-V768 WeakPolarHBondContact O-CA 3.49Å; F681-V768 HydrophobicContact CD1-CG1 4.07Å; F681-V768 HydrophobicContact CD1-CG2 4.17Å; F681-V768 HydrophobicContact CE1-CG1 4.14Å; V768-L770 HydrophobicContact CG1-CD2 4.11Å; V768-L770 HydrophobicContact CG1-CG 4.47Å; V768-V776 HydrophobicContact CG1-CG2 4.4Å
769S96.4Very high94.2Very high0 Ų032.3 Ų32.30%017%0.165CC..EExtended strand (participates in β ladder)trans-113.2134.9158.965.50000111.5R651 P679 A680 L694R651-S769 VanDerWaalsContact O-CA 3.29Å; R651-S769 WeakPolarHBondContact O-CA 3.34Å; P679-S769 WeakPolarHBondContact CA-O 3.33Å; A680-S769 PolarHBondContact N-O 3.32Å; A680-S769 PolarHBondContact O-N 3.04Å; L694-S769 WeakPolarHBondContact CB-OG 3.35Å; L694-S769 PolarHBondContact N-OG 2.96Å
770L95.3Very high94.4Very high1 Ų128 Ų281%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-151.9168.617858.576.3000111.6V643 C645 R651 P679 V768 V774 V776V643-L770 HydrophobicContact CG1-CD2 4Å; V643-L770 HydrophobicContact CG2-CD2 4.41Å; C645-L770 HydrophobicContact CB-CD1 3.67Å; R651-L770 PolarHBondContact N-O 2.6Å; R651-L770 PolarHBondContact O-N 3.22Å; P679-L770 HydrophobicContact CB-CB 4.44Å; V768-L770 HydrophobicContact CG1-CD2 4.11Å; V768-L770 HydrophobicContact CG1-CG 4.47Å; L770-V774 HydrophobicContact CB-CB 4.08Å; L770-V776 HydrophobicContact CD2-CG2 3.95Å
771N92.8Very high94.4Very high2 Ų228.7 Ų28.71%0.01115%0.151CC..  trans-121-173.9171.894.1-20.3000111.3Y648 D649 P677 N773 V774Y648-N771 WeakPolarHBondContact CA-ND2 3.46Å; Y648-N771 WeakPolarHBondContact O-CB 3.03Å; Y648-N771 PolarHBondContact O-ND2 2.91Å; D649-N771 VanDerWaalsContact O-CB 3.28Å; D649-N771 WeakPolarHBondContact O-CB 3.38Å; P677-N771 WeakPolarHBondContact CD-ND2 3.46Å; P677-N771 WeakPolarHBondContact CD-OD1 3.41Å; P677-N771 HydrophobicContact CG-CB 4.25Å; P677-N771 WeakPolarHBondContact CG-ND2 3.36Å; N771-N773 PolarHBondContact O-N 3.38Å; N771-N773 WeakPolarHBondContact OD1-CB 3.36Å; N771-N773 PolarHBondContact OD1-N 3.36Å; N771-V774 PolarHBondContact O-N 3.26Å; N771-V774 VanDerWaalsContact O-N 3.14Å
772R92.6Very high94.5Very high128 Ų12826 Ų2648%0.48314%0.139SC..THydrogen-bonded Turntrans-55.8-27.9-179.5-178.5177.9177.5-177.1-1.5116C645 S646 S647 R672 V774C645-R772 VanDerWaalsContact O-CA 3.25Å; C645-R772 WeakPolarHBondContact O-CA 3.47Å; C645-R772 WeakPolarHBondContact O-CB 3.47Å; S646-R772 WeakPolarHBondContact O-CD 3.07Å; S647-R772 WeakPolarHBondContact O-CB 3.5Å; S647-R772 PolarHBondContact O-N 3.24Å; R672-R772 PolarHBondContact NH2-O 2.81Å; R772-V774 PolarHBondContact O-N 3.48Å
773N91.6Very high94.3Very high40 Ų4028.4 Ų28.421%0.21415%0.148CC..THydrogen-bonded Turntrans-80.9-1.9-177.9-65.5-5.3000112.6Y673 D674 H676 N771Y673-N773 WeakPolarHBondContact CA-O 3.39Å; D674-N773 HydrophobicContact CB-CB 4.14Å; D674-N773 PolarHBondContact N-O 2.81Å; H676-N773 WeakPolarHBondContact O-CB 3.32Å; H676-N773 PolarHBondContact O-ND2 2.83Å; N771-N773 PolarHBondContact O-N 3.38Å; N771-N773 WeakPolarHBondContact OD1-CB 3.36Å; N771-N773 PolarHBondContact OD1-N 3.36Å
774V94.1Very high93.8Very high1 Ų126.5 Ų26.51%0.00614%0.14CC..EExtended strand (participates in β ladder)trans-124.1143.8179.7-160.50000110.2T644 R672 Y673 P679 L770 N771 R772 V776T644-V774 PolarHBondContact OG1-O 3.35Å; R672-V774 PolarHBondContact NH2-O 3.15Å; R672-V774 CarbonylContact O-C 3.54Å; R672-V774 VanDerWaalsContact O-CA 3.32Å; R672-V774 WeakPolarHBondContact O-CA 3.18Å; R672-V774 WeakPolarHBondContact O-CG1 3.3Å; Y673-V774 HydrophobicContact CD2-CG2 4.14Å; P679-V774 HydrophobicContact CB-CG1 4.06Å; P679-V774 HydrophobicContact CB-CG2 4.38Å; P679-V774 HydrophobicContact CG-CG1 4.01Å; P679-V774 HydrophobicContact CG-CG2 4.45Å; L770-V774 HydrophobicContact CB-CB 4.08Å; N771-V774 PolarHBondContact O-N 3.26Å; N771-V774 VanDerWaalsContact O-N 3.14Å; R772-V774 PolarHBondContact O-N 3.48Å; V774-V776 HydrophobicContact CG1-CG1 4.15Å
775Q95.9Very high93.1Very high47 Ų4727.4 Ų27.422%0.2215%0.146CC..EExtended strand (participates in β ladder)trans-140.4135.8166.2179.4-171.7-4600108.9T642 V643 D671 R672T642-Q775 HydrophobicContact CG2-CG 3.88Å; V643-Q775 VanDerWaalsContact O-CA 3.31Å; V643-Q775 WeakPolarHBondContact O-CA 3.29Å; V643-Q775 WeakPolarHBondContact O-CG 3.43Å; D671-Q775 HydrophobicContact CB-CB 4.22Å; D671-Q775 HydrophobicContact CB-CG 3.99Å; D671-Q775 PolarHBondContact N-O 2.88Å; D671-Q775 PolarHBondContact OD2-NE2 2.63Å; R672-Q775 HydrophobicContact CB-CB 4.08Å; R672-Q775 PolarHBondContact N-O 2.66Å; R672-Q775 PolarHBondContact O-N 2.67Å
776V97.3Very high91.9Very high0 Ų032 Ų320%017%0.172CC..EExtended strand (participates in β ladder)trans-133.7149178.5-550000111.7T642 V643 L668 T669 V670 F681 V768 L770 V774T642-V776 WeakPolarHBondContact CA-O 3.4Å; V643-V776 HydrophobicContact CG1-CG2 3.65Å; V643-V776 PolarHBondContact N-O 3.03Å; V643-V776 PolarHBondContact O-N 3.36Å; L668-V776 HydrophobicContact CD2-CG2 3.94Å; T669-V776 CarbonylContact O-C 3.54Å; T669-V776 WeakPolarHBondContact O-CA 3.26Å; T669-V776 WeakPolarHBondContact O-CB 3.24Å; V670-V776 HydrophobicContact CG2-CG1 4.35Å; F681-V776 HydrophobicContact CE1-CG1 3.99Å; F681-V776 HydrophobicContact CE1-CG2 4.43Å; F681-V776 HydrophobicContact CZ-CG1 4.09Å; V768-V776 HydrophobicContact CG1-CG2 4.4Å; L770-V776 HydrophobicContact CD2-CG2 3.95Å; V774-V776 HydrophobicContact CG1-CG1 4.15Å
777T97.8Very high90.5Very high16 Ų1635.6 Ų35.610%0.09819%0.187CC..EExtended strand (participates in β ladder)trans-115.2127.9175.4-690000110.4T642 L668 T669 D671 H779T642-T777 WeakPolarHBondContact CB-OG1 3.43Å; T642-T777 WeakPolarHBondContact CG2-OG1 3.5Å; T642-T777 PolarHBondContact OG1-OG1 3.21Å; L668-T777 CarbonylContact C-O 3.6Å; L668-T777 VanDerWaalsContact CA-O 3.29Å; L668-T777 WeakPolarHBondContact CA-O 3.31Å; T669-T777 PolarHBondContact N-O 3.3Å; T669-T777 PolarHBondContact O-N 3.33Å; D671-T777 PolarHBondContact OD1-OG1 2.83Å; D671-T777 PolarHBondContact OD2-N 2.96Å; D671-T777 PolarHBondContact OD2-OG1 3.05Å; T777-H779 PolarHBondContact O-CD2 3.17Å; T777-H779 PolarHBondContact O-NE2 3.07Å
778L97.4Very high89.1Confident3 Ų337.8 Ų37.82%0.01620%0.195CC..EExtended strand (participates in β ladder)trans-88132.1-176.6172.769.9000111.6F623 F625 L641 W666 L668 T780F623-L778 HydrophobicContact CD2-CD2 3.86Å; F623-L778 HydrophobicContact CE2-CD1 3.92Å; F623-L778 HydrophobicContact CE2-CD2 3.57Å; F623-L778 HydrophobicContact CE2-CG 4.28Å; F623-L778 HydrophobicContact CZ-CD1 4.12Å; F623-L778 HydrophobicContact CZ-CD2 4.46Å; F625-L778 HydrophobicContact CD2-CD2 4.31Å; F625-L778 HydrophobicContact CE1-CD2 4.46Å; F625-L778 HydrophobicContact CE2-CB 3.7Å; F625-L778 HydrophobicContact CE2-CD2 4.04Å; F625-L778 HydrophobicContact CE2-CG 4.45Å; F625-L778 HydrophobicContact CZ-CB 4.03Å; F625-L778 HydrophobicContact CZ-CD2 4.13Å; L641-L778 HydrophobicContact CD2-CD2 4.44Å; L641-L778 VanDerWaalsContact O-CB 3.31Å; L641-L778 WeakPolarHBondContact O-CB 3.43Å; L641-L778 PolarHBondContact O-N 2.89Å; W666-L778 HydrophobicContact CG-CD1 4.37Å; L668-L778 HydrophobicContact CD1-CD1 4.41Å; L668-L778 HydrophobicContact CD2-CD1 4.28Å; L668-L778 HydrophobicContact CG-CD1 4.03Å; L778-T780 HydrophobicContact CD1-CG2 3.96Å; L778-T780 HydrophobicContact CD2-CG2 3.89Å; L778-T780 HydrophobicContact CG-CG2 3.7Å
779H95.2Very high87.1Confident67 Ų6740.6 Ų40.631%0.3122%0.215SC..EExtended strand (participates in β ladder)trans-115.3117.9175.2-54-75.2000109.7W666 E667 T669 T777 L782W666-H779 WeakPolarHBondContact CB-O 3.43Å; E667-H779 HydrophobicContact CB-CB 4.25Å; E667-H779 PolarHBondContact N-O 2.87Å; E667-H779 PolarHBondContact O-N 3.19Å; T669-H779 WeakPolarHBondContact CB-NE2 3.37Å; T669-H779 PolarHBondContact OG1-CD2 3.21Å; T669-H779 PolarHBondContact OG1-NE2 3.38Å; T777-H779 PolarHBondContact O-CD2 3.17Å; T777-H779 PolarHBondContact O-NE2 3.07Å; H779-L782 HydrophobicContact CB-CD1 4.14Å
780T93.1Very high84.7Confident17 Ų1743.8 Ų43.810%0.10424%0.237CC..  trans-121.4175.5179.175.10000110.7F623 L778 L782F623-T780 HydrophobicContact CD1-CG2 3.6Å; F623-T780 HydrophobicContact CD2-CG2 3.92Å; F623-T780 HydrophobicContact CE1-CG2 3.42Å; F623-T780 VanDerWaalsContact CE1-CG2 3.42Å; F623-T780 HydrophobicContact CE2-CG2 3.75Å; F623-T780 HydrophobicContact CG-CG2 3.84Å; F623-T780 HydrophobicContact CZ-CG2 3.49Å; F623-T780 VanDerWaalsContact CZ-CG2 3.49Å; F623-T780 PolarHBondContact N-OG1 3.11Å; F623-T780 VanDerWaalsContact N-OG1 3.11Å; F623-T780 VanDerWaalsContact O-CG2 3.25Å; F623-T780 WeakPolarHBondContact O-CG2 3.41Å; F623-T780 PolarHBondContact O-OG1 3.46Å; F623-T780 VanDerWaalsContact O-OG1 3.11Å; L778-T780 HydrophobicContact CD1-CG2 3.96Å; L778-T780 HydrophobicContact CD2-CG2 3.89Å; L778-T780 HydrophobicContact CG-CG2 3.7Å; T780-L782 VanDerWaalsContact C-N 3.26Å; T780-L782 PolarHBondContact O-N 3.38Å
781G87.1Confident82.3Confident20 Ų2051.7 Ų51.721%0.20627%0.267CS..SBendtrans75.811.3-171.900000114.5A621A621-G781 PolarHBondContact O-N 3.44Å
782L87.6Confident79.9Confident47 Ų4753.9 Ų53.925%0.24629%0.285CS..PPolyproline II helixtrans-83.1134.2-179.1-59.7-179.7000112.5V620 Y665 E667 H779 T780V620-L782 WeakPolarHBondContact CG1-O 3.27Å; Y665-L782 HydrophobicContact CD1-CB 3.95Å; Y665-L782 HydrophobicContact CD1-CD1 4.47Å; Y665-L782 HydrophobicContact CE1-CB 4.41Å; Y665-L782 HydrophobicContact CE1-CD1 4.24Å; E667-L782 HydrophobicContact CB-CD1 3.74Å; E667-L782 VanDerWaalsContact CD-CD1 3.49Å; E667-L782 HydrophobicContact CG-CD1 3.66Å; E667-L782 WeakPolarHBondContact OE2-CD1 3.35Å; H779-L782 HydrophobicContact CB-CD1 4.14Å; T780-L782 VanDerWaalsContact C-N 3.26Å; T780-L782 PolarHBondContact O-N 3.38Å
783P85.4Confident77.1Confident90 Ų9052.7 Ų52.758%0.58430%0.297SS*.PPolyproline II helixtrans-66.9154.4173.430.9-35.4000111Y665 P785Y665-P783 WeakPolarHBondContact CD1-O 3.23Å; P783-P785 WeakPolarHBondContact O-CD 3.38Å
784V84.7Confident74.4Confident44 Ų4458 Ų5827%0.26732%0.324SS..PPolyproline II helixtrans-61.5126.5170.1177.70000109.1V663 L735 Y788V663-V784 HydrophobicContact CB-CG2 4.1Å; V663-V784 HydrophobicContact CG1-CG1 4.32Å; V663-V784 HydrophobicContact CG1-CG2 3.68Å; L735-V784 HydrophobicContact CD1-CG1 3.94Å; L735-V784 HydrophobicContact CD1-CG2 4.31Å; V784-Y788 HydrophobicContact CG1-CD1 3.72Å; V784-Y788 HydrophobicContact CG1-CG 4.17Å
785P81.7Confident71.3Confident19 Ų1965.1 Ų65.112%0.12338%0.383CS..PPolyproline II helixtrans-60.5143.3-173.5-27.735.5000114.3Y665 P783 F787 Y788Y665-P785 HydrophobicContact CD1-CG 3.99Å; Y665-P785 HydrophobicContact CD2-CG 4.38Å; Y665-P785 HydrophobicContact CE1-CG 3.67Å; Y665-P785 HydrophobicContact CE2-CG 4.09Å; Y665-P785 HydrophobicContact CG-CG 4.33Å; P783-P785 WeakPolarHBondContact O-CD 3.38Å; P785-F787 HydrophobicContact CB-CD1 3.8Å; P785-F787 HydrophobicContact CB-CD2 4.09Å; P785-F787 HydrophobicContact CB-CE1 3.41Å; P785-F787 VanDerWaalsContact CB-CE1 3.41Å; P785-F787 HydrophobicContact CB-CE2 3.68Å; P785-F787 HydrophobicContact CB-CG 4.13Å; P785-F787 HydrophobicContact CB-CZ 3.34Å; P785-F787 HydrophobicContact CG-CE1 4.11Å; P785-F787 HydrophobicContact CG-CE2 4.16Å; P785-F787 HydrophobicContact CG-CZ 3.69Å; P785-F787 PolarHBondContact O-N 3.25Å; P785-Y788 VanDerWaalsContact O-CB 3.3Å; P785-Y788 WeakPolarHBondContact O-CB 3.43Å; P785-Y788 PolarHBondContact O-N 2.79Å
786D71.9Confident70.1Confident122 Ų12266.1 Ų66.165%0.65239%0.391SS*.Hα-helixtrans-63.7-25.5-175-72.8-48.1000113.4Y788 S789 S790D786-Y788 PolarHBondContact O-N 3.32Å; D786-S789 WeakPolarHBondContact O-CB 3.41Å; D786-S789 PolarHBondContact O-N 2.85Å; D786-S789 VanDerWaalsContact O-N 3.1Å; D786-S790 PolarHBondContact O-N 2.81Å
787F67.8Low68.6Low79 Ų7969.5 Ų69.535%0.34641%0.411SS..Hα-helixtrans-64.6-22.3173.257.9-115.3000113.6F746 P785 S790F746-F787 AromaticContact CD1-CE2 3.96Å; F746-F787 HydrophobicContact CD1-CE2 3.96Å; F746-F787 AromaticContact CD1-CZ 3.97Å; F746-F787 HydrophobicContact CD1-CZ 3.97Å; F746-F787 HydrophobicContact CE1-CD2 4.29Å; F746-F787 AromaticContact CE1-CE2 3.35Å; F746-F787 HydrophobicContact CE1-CE2 3.35Å; F746-F787 AromaticContact CE1-CZ 3.85Å; F746-F787 HydrophobicContact CE1-CZ 3.85Å; F746-F787 AromaticContact CZ-CE2 3.75Å; F746-F787 HydrophobicContact CZ-CE2 3.75Å; F746-F787 HydrophobicContact CZ-CZ 4.43Å; P785-F787 HydrophobicContact CB-CD1 3.8Å; P785-F787 HydrophobicContact CB-CD2 4.09Å; P785-F787 HydrophobicContact CB-CE1 3.41Å; P785-F787 VanDerWaalsContact CB-CE1 3.41Å; P785-F787 HydrophobicContact CB-CE2 3.68Å; P785-F787 HydrophobicContact CB-CG 4.13Å; P785-F787 HydrophobicContact CB-CZ 3.34Å; P785-F787 HydrophobicContact CG-CE1 4.11Å; P785-F787 HydrophobicContact CG-CE2 4.16Å; P785-F787 HydrophobicContact CG-CZ 3.69Å; P785-F787 PolarHBondContact O-N 3.25Å; F787-S790 PolarHBondContact O-OG 2.89Å; F787-S790 VanDerWaalsContact O-OG 3.07Å
788Y67.3Low67Low48 Ų4872.5 Ų72.519%0.18843%0.429CS..Hα-helixtrans-75.8-39.7171.9-171.8-105.4000111L735 D737 V784 P785 D786L735-Y788 HydrophobicContact CD2-CD1 4.23Å; L735-Y788 HydrophobicContact CD2-CD2 3.31Å; L735-Y788 HydrophobicContact CD2-CE1 4.35Å; L735-Y788 HydrophobicContact CD2-CE2 3.45Å; L735-Y788 VanDerWaalsContact CD2-CE2 3.45Å; L735-Y788 HydrophobicContact CD2-CG 3.72Å; D737-Y788 PolarHBondContact OD2-OH 3.44Å; D737-Y788 VanDerWaalsContact OD2-OH 3.11Å; V784-Y788 HydrophobicContact CG1-CD1 3.72Å; V784-Y788 HydrophobicContact CG1-CG 4.17Å; P785-Y788 VanDerWaalsContact O-CB 3.3Å; P785-Y788 WeakPolarHBondContact O-CB 3.43Å; P785-Y788 PolarHBondContact O-N 2.79Å; D786-Y788 PolarHBondContact O-N 3.32Å
789S57.1Low65.2Low61 Ų6176.6 Ų76.643%0.42745%0.453SS..Hα-helixtrans-67.3-36.3178.7-61.70000112.6D786 R791 A792D786-S789 WeakPolarHBondContact O-CB 3.41Å; D786-S789 PolarHBondContact O-N 2.85Å; D786-S789 VanDerWaalsContact O-N 3.1Å; S789-R791 PolarHBondContact O-N 2.66Å; S789-A792 WeakPolarHBondContact O-CB 3.34Å; S789-A792 PolarHBondContact O-N 3.46Å
790S44.2Very low63.4Low68 Ų6877.2 Ų77.248%0.47646%0.462SS..Hα-helixtrans-63.4-40.7179.167.80000112.7D786 F787 A792 S793D786-S790 PolarHBondContact O-N 2.81Å; F787-S790 PolarHBondContact O-OG 2.89Å; F787-S790 VanDerWaalsContact O-OG 3.07Å; S790-A792 VanDerWaalsContact C-N 3.27Å; S790-A792 PolarHBondContact O-N 2.63Å; S790-S793 PolarHBondContact O-N 3.09Å
791R46.6Very low61.4Low166 Ų16681.2 Ų81.263%0.62649%0.486SS*.Hα-helixtrans-65.5-25.3174.7-78.9-178.6170.6169.1-1113.7S789 S793 I794S789-R791 PolarHBondContact O-N 2.66Å; R791-S793 PolarHBondContact O-N 3.31Å; R791-I794 PolarHBondContact O-N 3.03Å
792A42.4Very low59.5Low48 Ų4885.6 Ų85.640%0.39751%0.506SS..THydrogen-bonded Turntrans-71.1-6.2176.200000113.9S789 S790S789-A792 WeakPolarHBondContact O-CB 3.34Å; S789-A792 PolarHBondContact O-N 3.46Å; S790-A792 VanDerWaalsContact C-N 3.27Å; S790-A792 PolarHBondContact O-N 2.63Å
793S32.9Very low57.4Low104 Ų10488.5 Ų88.573%0.72753%0.526SS*.THydrogen-bonded Turntrans-102.65.3-179.6-51.70000113.9S790 R791S790-S793 PolarHBondContact O-N 3.09Å; R791-S793 PolarHBondContact O-N 3.31Å
794I34.8Very low55Low151 Ų15188.4 Ų88.477%0.77452%0.521SS*.  trans-13530.8-172.4-37-178.9000110.8R791R791-I794 PolarHBondContact O-N 3.03Å
795A29.2Very low52.3Low151 Ų15192.5 Ų92.5100%1.24854%0.544SS*.  trans-139.2017900000110.6

Retrieved 795 of 795 residues in 648.3 ms (Link to these results)

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