A0A096M957_POEFO Loading...

E3 ubiquitin-protein ligase TRIM9

AlphaFold DB , UniProt , Accession A0A096M957, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 729 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
1M50.2Low77.6Confident167 Ų16787.9 Ų87.982%0.82343%0.432SS*.  0-27.70-158.8174.3-69.300110.3E3 M4 Y163M1-E3 PolarHBondContact O-N 2.89Å; M1-M4 PolarHBondContact O-N 2.75Å; M1-Y163 HydrophobicContact CG-CE2 3.86Å; M1-Y163 PolarHBondContact O-OH 2.92Å; M1-Y163 HydrophobicContact SD-CE2 4.48Å
2D54.1Low78.5Confident119 Ų11985.3 Ų85.364%0.63642%0.424SS*.THydrogen-bonded Turntrans-68-30178.3-50.7-62.7000114.2M4 E5D2-M4 VanDerWaalsContact C-N 3.27Å; D2-M4 PolarHBondContact O-N 3.15Å; D2-E5 WeakPolarHBondContact O-CB 3.39Å; D2-E5 PolarHBondContact O-N 3.14Å
3E65.1Low79.3Confident182 Ų18283.2 Ų83.285%0.8542%0.422SS*.Hα-helixtrans-64.9-27.4175.6-65.5173.8172.400113.4M1 E5M1-E3 PolarHBondContact O-N 2.89Å; E3-E5 VanDerWaalsContact C-N 3.25Å; E3-E5 PolarHBondContact O-N 3.43Å
4M75.3Confident79.7Confident90 Ų9080.9 Ų80.944%0.44343%0.429SS..Hα-helixtrans-74.3-19.3174.8-173.8179.9179.300111.8M1 D2 E6 E7 L8 V159 Y163M1-M4 PolarHBondContact O-N 2.75Å; D2-M4 VanDerWaalsContact C-N 3.27Å; D2-M4 PolarHBondContact O-N 3.15Å; M4-E6 VanDerWaalsContact C-N 3.33Å; M4-E6 PolarHBondContact O-N 2.82Å; M4-E7 PolarHBondContact O-N 3.24Å; M4-L8 HydrophobicContact CE-CD1 4.36Å; M4-L8 HydrophobicContact CG-CD1 4.39Å; M4-L8 WeakPolarHBondContact O-CG 3.06Å; M4-V159 HydrophobicContact CE-CG1 3.87Å; M4-Y163 HydrophobicContact SD-CD2 4.28Å; M4-Y163 HydrophobicContact SD-CE2 4.48Å
5E82.4Confident80.4Confident34 Ų3479.9 Ų79.916%0.15943%0.431CS..Hα-helixtrans-66.1-36.1-174.6-163173.8118.100112.4D2 E3 E7 L8 K9 F16 Y163 K167D2-E5 WeakPolarHBondContact O-CB 3.39Å; D2-E5 PolarHBondContact O-N 3.14Å; E3-E5 VanDerWaalsContact C-N 3.25Å; E3-E5 PolarHBondContact O-N 3.43Å; E5-E7 VanDerWaalsContact C-N 3.33Å; E5-E7 PolarHBondContact O-N 2.71Å; E5-L8 PolarHBondContact O-N 3.07Å; E5-L8 VanDerWaalsContact O-N 3.09Å; E5-K9 WeakPolarHBondContact O-CG 3.48Å; E5-K9 PolarHBondContact O-N 2.89Å; E5-K9 VanDerWaalsContact OE1-CE 3.26Å; E5-K9 WeakPolarHBondContact OE1-CE 3.3Å; E5-K9 IonicContact OE1-NZ 3.24Å; E5-K9 PolarHBondContact OE1-NZ 2.72Å; E5-F16 HydrophobicContact CG-CE1 3.96Å; E5-F16 HydrophobicContact CG-CZ 3.91Å; E5-Y163 HydrophobicContact CB-CE1 4.43Å; E5-Y163 HydrophobicContact CG-CE1 4.08Å; E5-Y163 PolarHBondContact OE2-OH 2.85Å; E5-K167 IonicContact OE2-NZ 3.71Å; E5-K167 PolarHBondContact OE2-NZ 2.91Å
6E83.4Confident80.9Confident121 Ų12178 Ų7857%0.56542%0.418SS*.Hα-helixtrans-65.1-36.6178.6-66.8-54.3121.400111.9M4 L8 K9M4-E6 VanDerWaalsContact C-N 3.33Å; M4-E6 PolarHBondContact O-N 2.82Å; E6-L8 PolarHBondContact O-N 3.42Å; E6-K9 PolarHBondContact O-N 3.12Å; E6-K9 IonicContact OE1-NZ 3.05Å; E6-K9 PolarHBondContact OE1-NZ 2.98Å
7E86.1Confident81.2Confident147 Ų14774 Ų7469%0.68740%0.396SS*.THydrogen-bonded Turntrans-68.1-15.1174.4-65-61.6148.100113.4M4 E5M4-E7 PolarHBondContact O-N 3.24Å; E5-E7 VanDerWaalsContact C-N 3.33Å; E5-E7 PolarHBondContact O-N 2.71Å
8L89.1Confident81.4Confident5 Ų580.9 Ų80.93%0.02642%0.416CS..THydrogen-bonded Turntrans-101.9-1.6-179.3-61.8-179.3000113.3M4 E5 E6 F16 Y17 L156 V159 V160 Y163M4-L8 HydrophobicContact CE-CD1 4.36Å; M4-L8 HydrophobicContact CG-CD1 4.39Å; M4-L8 WeakPolarHBondContact O-CG 3.06Å; E5-L8 PolarHBondContact O-N 3.07Å; E5-L8 VanDerWaalsContact O-N 3.09Å; E6-L8 PolarHBondContact O-N 3.42Å; L8-F16 HydrophobicContact CB-CD1 3.88Å; L8-F16 HydrophobicContact CB-CE1 3.99Å; L8-F16 WeakPolarHBondContact O-CA 3Å; L8-Y17 WeakPolarHBondContact O-CD2 3.44Å; L8-Y17 PolarHBondContact O-N 2.96Å; L8-L156 HydrophobicContact CD2-CD1 3.89Å; L8-V159 HydrophobicContact CD2-CG1 3.78Å; L8-V160 HydrophobicContact CB-CG2 4.18Å; L8-V160 HydrophobicContact CD2-CG2 4.05Å; L8-Y163 HydrophobicContact CD1-CD1 3.56Å; L8-Y163 HydrophobicContact CD1-CD2 3.74Å; L8-Y163 HydrophobicContact CD1-CE1 4.14Å; L8-Y163 HydrophobicContact CD1-CE2 4.29Å; L8-Y163 HydrophobicContact CD1-CG 3.34Å
9K89.5Confident81.6Confident46 Ų4681.6 Ų81.620%0.242%0.417CS..BIsolated β-bridgetrans-99140179.5-74.4170.3-178.1157.80111.3E5 E6 S15 Y17E5-K9 WeakPolarHBondContact O-CG 3.48Å; E5-K9 PolarHBondContact O-N 2.89Å; E5-K9 VanDerWaalsContact OE1-CE 3.26Å; E5-K9 WeakPolarHBondContact OE1-CE 3.3Å; E5-K9 IonicContact OE1-NZ 3.24Å; E5-K9 PolarHBondContact OE1-NZ 2.72Å; E6-K9 PolarHBondContact O-N 3.12Å; E6-K9 IonicContact OE1-NZ 3.05Å; E6-K9 PolarHBondContact OE1-NZ 2.98Å; K9-S15 WeakPolarHBondContact CA-O 3.46Å; K9-Y17 VanDerWaalsContact O-CE2 3.27Å; K9-Y17 WeakPolarHBondContact O-CE2 3.35Å; K9-Y17 PolarHBondContact O-OH 3.24Å
10C90.1Very high82Confident0 Ų077.6 Ų77.60%040%0.396CS..  trans-74126.7172.2177.50000109.9V12 C13 G14 S15 Y17 C30C10-V12 PolarHBondContact O-N 3.26Å; C10-C13 VanDerWaalsContact CB-SG 3.56Å; C10-C13 PolarHBondContact O-N 2.9Å; C10-G14 WeakPolarHBondContact O-CA 3.43Å; C10-G14 PolarHBondContact O-N 3.26Å; C10-S15 PolarHBondContact N-O 3.37Å; C10-Y17 HydrophobicContact CB-CD1 3.82Å; C10-Y17 HydrophobicContact CB-CE1 3.74Å; C10-Y17 HydrophobicContact CB-CG 4.49Å; C10-C30 VanDerWaalsContact CB-SG 3.52Å; C10-C30 VanDerWaalsContact SG-SG 3.66Å
11P88.5Confident82.3Confident56 Ų5674 Ų7436%0.36438%0.378SS..THydrogen-bonded Turntrans-65-13.1-177.526.6-37000113.9Y17 P134 Q135P11-Y17 WeakPolarHBondContact CD-OH 3.3Å; P11-P134 HydrophobicContact CB-CG 4.23Å; P11-P134 HydrophobicContact CG-CG 3.7Å; P11-Q135 HydrophobicContact CB-CG 4.05Å; P11-Q135 HydrophobicContact CG-CG 3.9Å
12V87.9Confident84.2Confident56 Ų5668.4 Ų68.434%0.33935%0.351SS..THydrogen-bonded Turntrans-95.1-40.3-178.9-179.30000112.8C10 I29 C33 I37 P134C10-V12 PolarHBondContact O-N 3.26Å; V12-I29 HydrophobicContact CG2-CD1 3.57Å; V12-I29 HydrophobicContact CG2-CG1 4.17Å; V12-C33 HydrophobicContact CB-CB 3.8Å; V12-C33 HydrophobicContact CG1-CB 3.81Å; V12-C33 HydrophobicContact CG2-CB 4.36Å; V12-I37 HydrophobicContact CG1-CG2 4.1Å; V12-I37 HydrophobicContact CG2-CD1 4.44Å; V12-P134 HydrophobicContact CG2-CB 4.39Å; V12-P134 HydrophobicContact CG2-CG 3.89Å
13C88.6Confident85.9Confident58 Ų5863 Ų6339%0.39232%0.322SS..THydrogen-bonded Turntrans-107-3.2-178.566.60000114.1C10 S15C10-C13 VanDerWaalsContact CB-SG 3.56Å; C10-C13 PolarHBondContact O-N 2.9Å; C13-S15 PolarHBondContact O-N 2.9Å; C13-S15 PolarHBondContact O-OG 2.93Å
14G85.6Confident86.7Confident51 Ų5158.4 Ų58.453%0.52631%0.308SS..SBendtrans62.52.4-177.500000114.8C10C10-G14 WeakPolarHBondContact O-CA 3.43Å; C10-G14 PolarHBondContact O-N 3.26Å
15S89.7Confident87.3Confident66 Ų6655.2 Ų55.246%0.46229%0.294SS..SBendtrans-101.7161.1-177.7-58.50000110.5K9 C10 C13K9-S15 WeakPolarHBondContact CA-O 3.46Å; C10-S15 PolarHBondContact N-O 3.37Å; C13-S15 PolarHBondContact O-N 2.9Å; C13-S15 PolarHBondContact O-OG 2.93Å
16F88.2Confident87.5Confident50 Ų5058 Ų5822%0.21932%0.318CS..BIsolated β-bridgetrans-53.1141.6172.6-69.7-70.3000112.3E5 L8 R18 V160 Y163 Q164E5-F16 HydrophobicContact CG-CE1 3.96Å; E5-F16 HydrophobicContact CG-CZ 3.91Å; L8-F16 HydrophobicContact CB-CD1 3.88Å; L8-F16 HydrophobicContact CB-CE1 3.99Å; L8-F16 WeakPolarHBondContact O-CA 3Å; F16-R18 PolarHBondContact O-N 3.39Å; F16-V160 HydrophobicContact CB-CG1 3.75Å; F16-V160 HydrophobicContact CD1-CG1 4.2Å; F16-V160 HydrophobicContact CG-CG1 4.19Å; F16-Y163 AromaticContact CE1-CD1 3.91Å; F16-Y163 HydrophobicContact CE1-CD1 3.91Å; F16-Y163 AromaticContact CE1-CE1 3.92Å; F16-Y163 HydrophobicContact CE1-CE1 3.92Å; F16-Y163 HydrophobicContact CZ-CD1 4.17Å; F16-Y163 AromaticContact CZ-CE1 3.96Å; F16-Y163 HydrophobicContact CZ-CE1 3.96Å; F16-Q164 VanDerWaalsContact CB-NE2 3.26Å; F16-Q164 HydrophobicContact CD2-CG 4.32Å; F16-Q164 HydrophobicContact CE2-CG 4.36Å
17Y87.2Confident87.8Confident10 Ų1055.3 Ų55.34%0.03931%0.305CS..PPolyproline II helixtrans-55.1134-177.9-75.8-75000112.9L8 K9 C10 P11 P20 N28 L156L8-Y17 WeakPolarHBondContact O-CD2 3.44Å; L8-Y17 PolarHBondContact O-N 2.96Å; K9-Y17 VanDerWaalsContact O-CE2 3.27Å; K9-Y17 WeakPolarHBondContact O-CE2 3.35Å; K9-Y17 PolarHBondContact O-OH 3.24Å; C10-Y17 HydrophobicContact CB-CD1 3.82Å; C10-Y17 HydrophobicContact CB-CE1 3.74Å; C10-Y17 HydrophobicContact CB-CG 4.49Å; P11-Y17 WeakPolarHBondContact CD-OH 3.3Å; Y17-P20 HydrophobicContact CD1-CB 3.84Å; Y17-P20 HydrophobicContact CG-CB 4.15Å; Y17-N28 HydrophobicContact CD1-CB 4.46Å; Y17-N28 VanDerWaalsContact CE1-C 3.49Å; Y17-N28 HydrophobicContact CE1-CB 3.75Å; Y17-N28 VanDerWaalsContact CE1-O 3.24Å; Y17-N28 WeakPolarHBondContact CE1-O 3.44Å; Y17-N28 HydrophobicContact CE2-CB 4.43Å; Y17-N28 PolarHBondContact OH-O 3.03Å; Y17-L156 HydrophobicContact CD1-CD2 4.39Å; Y17-L156 HydrophobicContact CD2-CD1 4.28Å; Y17-L156 HydrophobicContact CD2-CD2 3.61Å; Y17-L156 HydrophobicContact CD2-CG 4.07Å; Y17-L156 HydrophobicContact CE2-CD2 3.89Å; Y17-L156 HydrophobicContact CG-CD2 3.87Å; Y17-L156 HydrophobicContact CG-CG 4.39Å
18R84.5Confident88.1Confident199 Ų19949.7 Ų49.775%0.75128%0.279SS*.SBendtrans-129.2123.8172.6-67.5-177.4-178.5171.71.2108.8F16 C30F16-R18 PolarHBondContact O-N 3.39Å; R18-C30 PolarHBondContact N-SG 2.87Å; R18-C30 WeakPolarHBondContact O-CB 3.33Å
19E84.7Confident88.2Confident93 Ų9349.5 Ų49.544%0.43528%0.278SS..SBendtrans42.358.1-169.3-62.6-166.492.100113.2L31 K152 E157E19-L31 HydrophobicContact CB-CB 4.27Å; E19-L31 WeakPolarHBondContact O-CB 2.99Å; E19-L31 PolarHBondContact O-N 3.11Å; E19-K152 IonicContact OE1-NZ 3.12Å; E19-K152 PolarHBondContact OE1-NZ 3.24Å; E19-E157 PolarHBondContact N-OE1 3.06Å
20P90.4Very high88.3Confident1 Ų147.6 Ų47.61%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-65138.5-179.626.3-33.2000111.8Y17 I29 K152 N153 L156 E157Y17-P20 HydrophobicContact CD1-CB 3.84Å; Y17-P20 HydrophobicContact CG-CB 4.15Å; P20-I29 CarbonylContact C-O 3.56Å; P20-I29 WeakPolarHBondContact CA-O 3.43Å; P20-K152 CarbonylContact O-C 3.6Å; P20-K152 WeakPolarHBondContact O-CA 3.32Å; P20-N153 HydrophobicContact CB-CB 4.26Å; P20-N153 HydrophobicContact CG-CB 4Å; P20-N153 WeakPolarHBondContact CG-O 3.38Å; P20-N153 PolarHBondContact O-N 2.97Å; P20-L156 HydrophobicContact CB-CD2 3.98Å; P20-L156 HydrophobicContact CG-CB 4.2Å; P20-L156 HydrophobicContact CG-CD2 4.09Å; P20-L156 HydrophobicContact CG-CG 4.26Å; P20-E157 HydrophobicContact CG-CB 4.49Å
21I88.6Confident88.2Confident2 Ų248.2 Ų48.21%0.0127%0.274CS..EExtended strand (participates in β ladder)trans-104.5147.5167.659.2167000110.2L23 N28 I29 L31 A34 F150 P151I21-L23 HydrophobicContact CD1-CD2 4.43Å; I21-N28 WeakPolarHBondContact O-CA 3.36Å; I21-I29 HydrophobicContact CD1-CG2 3.89Å; I21-I29 HydrophobicContact CG1-CG2 3.55Å; I21-I29 WeakPolarHBondContact CG1-O 3.41Å; I21-I29 PolarHBondContact N-O 3.16Å; I21-I29 PolarHBondContact O-N 2.81Å; I21-L31 HydrophobicContact CG2-CB 4.36Å; I21-L31 HydrophobicContact CG2-CD1 4.02Å; I21-A34 HydrophobicContact CD1-CB 3.67Å; I21-A34 HydrophobicContact CG1-CB 4.44Å; I21-F150 HydrophobicContact CB-CB 4Å; I21-F150 HydrophobicContact CD1-CB 4.17Å; I21-F150 HydrophobicContact CD1-CD2 3.81Å; I21-F150 HydrophobicContact CD1-CG 4.29Å; I21-F150 HydrophobicContact CG2-CB 4.45Å; I21-P151 WeakPolarHBondContact CA-O 3.28Å
22I90Very high88.1Confident51 Ų5148.5 Ų48.526%0.26228%0.281SS..EExtended strand (participates in β ladder)trans-94.7120.2177.1-50.9178.9000108.8P151 N153I22-P151 PolarHBondContact N-O 3.16Å; I22-N153 HydrophobicContact CD1-CB 3.88Å; I22-N153 HydrophobicContact CG1-CB 3.6Å
23L88Confident88.1Confident4 Ų446.4 Ų46.42%0.02127%0.269CS..  trans-79.1156.3172.2-59.4178.7000110.6I21 C25 S26 H27 I29 C133 L140 F150I21-L23 HydrophobicContact CD1-CD2 4.43Å; L23-C25 PolarHBondContact O-N 2.74Å; L23-S26 WeakPolarHBondContact O-CA 3.36Å; L23-S26 PolarHBondContact O-N 3.23Å; L23-H27 WeakPolarHBondContact CB-O 3.28Å; L23-H27 PolarHBondContact N-O 2.94Å; L23-I29 HydrophobicContact CD1-CG2 4.34Å; L23-I29 HydrophobicContact CD2-CG2 4.25Å; L23-I29 HydrophobicContact CG-CG2 4.27Å; L23-C133 HydrophobicContact CD1-CB 3.82Å; L23-L140 HydrophobicContact CB-CD1 4.25Å; L23-L140 HydrophobicContact CD2-CD1 4.34Å; L23-F150 HydrophobicContact CD2-CE2 4.3Å; L23-F150 HydrophobicContact CD2-CZ 4.32Å
24P83.1Confident88Confident86 Ų8643.6 Ų43.656%0.55825%0.25SS*.THydrogen-bonded Turntrans-52-23.9172-31.333.6000115.5S26 L140 F150P24-S26 PolarHBondContact O-N 3.23Å; P24-L140 HydrophobicContact CB-CD1 4.45Å; P24-L140 HydrophobicContact CB-CD2 4.03Å; P24-L140 HydrophobicContact CG-CD1 3.94Å; P24-L140 HydrophobicContact CG-CD2 3.93Å; P24-F150 VanDerWaalsContact CD-CE1 3.42Å; P24-F150 HydrophobicContact CG-CE1 3.93Å
25C86.9Confident88Confident24 Ų2448 Ų4816%0.16225%0.251CS..THydrogen-bonded Turntrans-84.112.1171.961.80000113.8L23 H27L23-C25 PolarHBondContact O-N 2.74Å; C25-H27 PolarHBondContact O-N 2.96Å
26S88Confident87.7Confident92 Ų9251.3 Ų51.364%0.64326%0.263SS*.SBendtrans65.5-3.2-178.5-52.90000116.8L23 P24L23-S26 WeakPolarHBondContact O-CA 3.36Å; L23-S26 PolarHBondContact O-N 3.23Å; P24-S26 PolarHBondContact O-N 3.23Å
27H90.1Very high87.5Confident64 Ų6451.5 Ų51.530%0.29627%0.266SS..  trans-73.3153.7171.4-68.8124.3000112.6L23 C25 Q135L23-H27 WeakPolarHBondContact CB-O 3.28Å; L23-H27 PolarHBondContact N-O 2.94Å; C25-H27 PolarHBondContact O-N 2.96Å; H27-Q135 PolarHBondContact CD2-OE1 2.61Å
28N91.3Very high87.2Confident29 Ų2953.2 Ų53.216%0.15528%0.276CS..EExtended strand (participates in β ladder)trans-113.6143.2-174.3-58.9-90000111Y17 I21 N153 L156Y17-N28 HydrophobicContact CD1-CB 4.46Å; Y17-N28 VanDerWaalsContact CE1-C 3.49Å; Y17-N28 HydrophobicContact CE1-CB 3.75Å; Y17-N28 VanDerWaalsContact CE1-O 3.24Å; Y17-N28 WeakPolarHBondContact CE1-O 3.44Å; Y17-N28 HydrophobicContact CE2-CB 4.43Å; Y17-N28 PolarHBondContact OH-O 3.03Å; I21-N28 WeakPolarHBondContact O-CA 3.36Å; N28-N153 PolarHBondContact OD1-ND2 2.95Å; N28-L156 HydrophobicContact CB-CD2 3.69Å
29I91.4Very high86.8Confident1 Ų146.9 Ų46.91%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-141.9143.3174.3-175.7169.2000109.5V12 P20 I21 L23 C33 A34 I37V12-I29 HydrophobicContact CG2-CD1 3.57Å; V12-I29 HydrophobicContact CG2-CG1 4.17Å; P20-I29 CarbonylContact C-O 3.56Å; P20-I29 WeakPolarHBondContact CA-O 3.43Å; I21-I29 HydrophobicContact CD1-CG2 3.89Å; I21-I29 HydrophobicContact CG1-CG2 3.55Å; I21-I29 WeakPolarHBondContact CG1-O 3.41Å; I21-I29 PolarHBondContact N-O 3.16Å; I21-I29 PolarHBondContact O-N 2.81Å; L23-I29 HydrophobicContact CD1-CG2 4.34Å; L23-I29 HydrophobicContact CD2-CG2 4.25Å; L23-I29 HydrophobicContact CG-CG2 4.27Å; I29-C33 HydrophobicContact CD1-CB 4.05Å; I29-C33 HydrophobicContact CG1-CB 3.79Å; I29-A34 HydrophobicContact CD1-CB 4.18Å; I29-A34 HydrophobicContact CG1-CB 4.34Å; I29-A34 HydrophobicContact CG2-CB 3.92Å; I29-I37 HydrophobicContact CD1-CD1 3.37Å; I29-I37 HydrophobicContact CD1-CG1 4.06Å
30C91.9Very high85.6Confident6 Ų648.2 Ų48.24%0.04127%0.265CS..EExtended strand (participates in β ladder)trans-61.4139.3172.7-60.30000110.2C10 R18 A32 C33 A34C10-C30 VanDerWaalsContact CB-SG 3.52Å; C10-C30 VanDerWaalsContact SG-SG 3.66Å; R18-C30 PolarHBondContact N-SG 2.87Å; R18-C30 WeakPolarHBondContact O-CB 3.33Å; C30-A32 PolarHBondContact O-N 3.38Å; C30-C33 HydrophobicContact CB-CB 4.05Å; C30-C33 CarbonylContact O-C 3.6Å; C30-C33 WeakPolarHBondContact O-CA 3.49Å; C30-C33 WeakPolarHBondContact O-CB 3.26Å; C30-C33 PolarHBondContact O-N 2.85Å; C30-A34 PolarHBondContact O-N 2.9Å
31L87.1Confident83.7Confident14 Ų1451.6 Ų51.67%0.07329%0.286CS..Hα-helixtrans-54.3-39.7179.2-179.462.4000112.9E19 I21 A34 R35 L147E19-L31 HydrophobicContact CB-CB 4.27Å; E19-L31 WeakPolarHBondContact O-CB 2.99Å; E19-L31 PolarHBondContact O-N 3.11Å; I21-L31 HydrophobicContact CG2-CB 4.36Å; I21-L31 HydrophobicContact CG2-CD1 4.02Å; L31-A34 PolarHBondContact O-N 2.91Å; L31-R35 WeakPolarHBondContact O-CG 3.27Å; L31-R35 PolarHBondContact O-N 2.85Å; L31-R35 VanDerWaalsContact O-N 3.16Å; L31-L147 HydrophobicContact CD1-CB 4.45Å
32A86Confident81.4Confident61 Ų6157.3 Ų57.350%0.50432%0.323SS..Hα-helixtrans-65.1-39.9175.300000112.3C30 R35 N36C30-A32 PolarHBondContact O-N 3.38Å; A32-R35 PolarHBondContact O-N 3.02Å; A32-N36 PolarHBondContact O-N 3.18Å; A32-N36 PolarHBondContact O-OD1 3.32Å
33C88.6Confident78.8Confident12 Ų1263.3 Ų63.38%0.08135%0.35CS..Hα-helixtrans-69.6-38.5177.6-62.90000111.7V12 I29 C30 R35 N36 I37V12-C33 HydrophobicContact CB-CB 3.8Å; V12-C33 HydrophobicContact CG1-CB 3.81Å; V12-C33 HydrophobicContact CG2-CB 4.36Å; I29-C33 HydrophobicContact CD1-CB 4.05Å; I29-C33 HydrophobicContact CG1-CB 3.79Å; C30-C33 HydrophobicContact CB-CB 4.05Å; C30-C33 CarbonylContact O-C 3.6Å; C30-C33 WeakPolarHBondContact O-CA 3.49Å; C30-C33 WeakPolarHBondContact O-CB 3.26Å; C30-C33 PolarHBondContact O-N 2.85Å; C33-R35 VanDerWaalsContact C-N 3.28Å; C33-R35 PolarHBondContact O-N 2.97Å; C33-N36 PolarHBondContact O-N 3.37Å; C33-N36 VanDerWaalsContact O-N 3.11Å; C33-I37 PolarHBondContact O-N 2.87Å
34A86.3Confident76.2Confident0 Ų067.6 Ų67.60%039%0.386CS..Hα-helixtrans-60.8-36.9174.800000112.4I21 I29 C30 L31 N36 L38 I131 L147I21-A34 HydrophobicContact CD1-CB 3.67Å; I21-A34 HydrophobicContact CG1-CB 4.44Å; I29-A34 HydrophobicContact CD1-CB 4.18Å; I29-A34 HydrophobicContact CG1-CB 4.34Å; I29-A34 HydrophobicContact CG2-CB 3.92Å; C30-A34 PolarHBondContact O-N 2.9Å; L31-A34 PolarHBondContact O-N 2.91Å; A34-N36 VanDerWaalsContact C-N 3.32Å; A34-L38 PolarHBondContact O-N 3.06Å; A34-I131 HydrophobicContact CB-CD1 3.82Å; A34-L147 HydrophobicContact CB-CD1 4.1Å; A34-L147 HydrophobicContact CB-CD2 4.24Å
35R85.3Confident73.7Confident143 Ų14372.6 Ų72.654%0.5440%0.402SS..Hα-helixtrans-64.5-36.5173.8-72173.4-174.7173.53.8112.4L31 A32 C33 L147L31-R35 WeakPolarHBondContact O-CG 3.27Å; L31-R35 PolarHBondContact O-N 2.85Å; L31-R35 VanDerWaalsContact O-N 3.16Å; A32-R35 PolarHBondContact O-N 3.02Å; C33-R35 VanDerWaalsContact C-N 3.28Å; C33-R35 PolarHBondContact O-N 2.97Å; R35-L147 HydrophobicContact CB-CD1 4.24Å; R35-L147 HydrophobicContact CG-CD1 3.66Å
36N83.4Confident71Confident136 Ų13676.8 Ų76.873%0.72743%0.431SS*.Hα-helixtrans-75.4-26.3-177.5-67.6-6.8000113.4A32 C33 A34A32-N36 PolarHBondContact O-N 3.18Å; A32-N36 PolarHBondContact O-OD1 3.32Å; C33-N36 PolarHBondContact O-N 3.37Å; C33-N36 VanDerWaalsContact O-N 3.11Å; A34-N36 VanDerWaalsContact C-N 3.32Å
37I84.6Confident68.3Low53 Ų5378.4 Ų78.427%0.27244%0.44SS..THydrogen-bonded Turntrans-100.29.6179.367.9167000113V12 I29 C33 V39 I131V12-I37 HydrophobicContact CG1-CG2 4.1Å; V12-I37 HydrophobicContact CG2-CD1 4.44Å; I29-I37 HydrophobicContact CD1-CD1 3.37Å; I29-I37 HydrophobicContact CD1-CG1 4.06Å; C33-I37 PolarHBondContact O-N 2.87Å; I37-V39 PolarHBondContact O-N 3.2Å; I37-I131 HydrophobicContact CD1-CD1 4.09Å; I37-I131 HydrophobicContact CD1-CG1 4.02Å; I37-I131 HydrophobicContact CG1-CD1 4.06Å; I37-I131 HydrophobicContact CG1-CG1 4.1Å
38L81.9Confident65.4Low47 Ų4784.1 Ų84.125%0.24647%0.467CS..PPolyproline II helixtrans-73.8124.6178.6-174.267.1000110A34 I131 L142 L147A34-L38 PolarHBondContact O-N 3.06Å; L38-I131 HydrophobicContact CD1-CB 4.44Å; L38-L142 HydrophobicContact CD1-CD1 3.37Å; L38-L142 HydrophobicContact CD1-CG 4.36Å; L38-L147 HydrophobicContact CD1-CD2 4.37Å; L38-L147 HydrophobicContact CD2-CD1 4.35Å
39V75.8Confident62.6Low66 Ų6688.4 Ų88.440%0.450%0.499SS..EExtended strand (participates in β ladder)trans-103.1127.3177.7-176.10000109.4I37 C130I37-V39 PolarHBondContact O-N 3.2Å; V39-C130 PolarHBondContact N-O 2.89Å; V39-C130 PolarHBondContact O-N 3.46Å
40Q59.9Low59.6Low120 Ų12094 Ų9456%0.56154%0.538SS*.EExtended strand (participates in β ladder)trans-98.5129.5171.8-66.6-179.5-4.200109.1
41T49.2Very low56.7Low73 Ų73105.4 Ų105.445%0.44858%0.58SS.*PPolyproline II helixtrans-91.3132.4171.148.70000109.4N128T41-N128 PolarHBondContact OG1-O 2.81Å
42P40.7Very low53.9Low122 Ų122109.6 Ų109.679%0.79262%0.617SS**PPolyproline II helixtrans-69.3142.4172.8-14.128000111.1A44P42-A44 PolarHBondContact O-N 2.99Å
43E35.3Very low51.3Low176 Ų176112.9 Ų112.982%0.82264%0.636SS**  trans-64.9112.5171.5-71.3179.4165.800109.6
44A32.8Very low48.4Very low94 Ų94115.4 Ų115.478%0.77766%0.664SS**PPolyproline II helixtrans-98.2130.7167.500000109P42 S46P42-A44 PolarHBondContact O-N 2.99Å; A44-S46 PolarHBondContact O-N 3.17Å
45E30.3Very low45.7Very low192 Ų192121.6 Ų121.690%0.89771%0.707SS**PPolyproline II helixtrans-48.7131.2172-71177137.400111.1P47E45-P47 WeakPolarHBondContact O-CD 3.32Å
46S30.3Very low42.9Very low111 Ų111118.1 Ų118.178%0.77672%0.716SS**PPolyproline II helixtrans-63.9129.9174.948.30000112A44A44-S46 PolarHBondContact O-N 3.17Å
47P32.1Very low40.3Very low126 Ų126118.4 Ų118.482%0.81872%0.722SS**PPolyproline II helixtrans-85.4139.4157.8-524.1000110.4E45E45-P47 WeakPolarHBondContact O-CD 3.32Å
48Q29.2Very low37.7Very low185 Ų185120.9 Ų120.986%0.86474%0.744SS**PPolyproline II helixtrans-61.5152.5-173.8-64.5165.2-38.100113.9S50Q48-S50 PolarHBondContact O-N 3.36Å
49S33.4Very low35.1Very low119 Ų119125.3 Ų125.383%0.83277%0.768SS**PPolyproline II helixtrans-61128.1166.273.60000110.9
50S28.6Very low32.9Very low118 Ų118133 Ų13383%0.82579%0.792SS**  trans-121.3122.1152.145.50000108.3Q48Q48-S50 PolarHBondContact O-N 3.36Å
51R30.9Very low31.5Very low246 Ų246134.9 Ų134.993%0.92881%0.806SS**  trans-72.5138.6166.5-72173.4166.3165.5-4.8108.3
52A26.9Very low30.5Very low101 Ų101141.9 Ų141.984%0.83583%0.825SS**  trans-176.8134133.300000111.1
53S32.6Very low30.1Very low131 Ų131144 Ų14492%0.91683%0.829SS**  trans-68.7158.4164.1-52.60000111.8
54G26.6Very low29.8Very low65 Ų65143.1 Ų143.167%0.6783%0.83SS**  trans133.5108.2152.500000116.7
55S30.2Very low29.8Very low130 Ų130145.3 Ų145.391%0.90983%0.828SS**  trans49.9130.1135.157.10000121.7
56G27.2Very low29.8Very low70 Ų70143.1 Ų143.172%0.72282%0.822SS**  trans151.886.4149.300000117.6
57V28.6Very low29.7Very low142 Ų142146.8 Ų146.886%0.86183%0.825SS**  trans33.8142.8134.4-157.90000122.3
58S28.8Very low29.5Very low105 Ų105149.9 Ų149.973%0.73483%0.83SS**  trans80.2139.8159.370.40000116.9
59D27.9Very low29.5Very low140 Ų140145.9 Ų145.975%0.74982%0.823SS**  cis-158.8137.219.2-137.4-3.8000108.1
60Y28.6Very low29.3Very low227 Ų227147.5 Ų147.589%0.8982%0.821SS**  trans-109.399.9172.2-83.4-78.2000108.5
61D30.6Very low29.4Very low159 Ų159153.4 Ų153.485%0.8583%0.827SS**  trans-103121163.5-97.7-22.3000109.5
62Y29Very low29.4Very low220 Ų220146.6 Ų146.686%0.86382%0.817SS**  trans-120.997.8-178.5-141.5-76.3000108.3
63L33.3Very low29.6Very low168 Ų168150.8 Ų150.888%0.8882%0.82SS**  trans-146.6129.6156.7-65175.8000103.7
64D29Very low29.4Very low157 Ų157148.9 Ų148.984%0.8481%0.812SS**  -171.5151.268.1-157.23000110.5
65L31.5Very low29.3Very low139 Ų139153 Ų15373%0.72882%0.819SS**  trans-86.3152.7179.4-92.4149000111.6
66D29.8Very low29.2Very low146 Ų146151.9 Ų151.978%0.78181%0.811SS**  trans52.2114.9145.1-67.6-19.1000121.4
67K28.6Very low29.2Very low189 Ų189152.1 Ų152.182%0.82281%0.813SS**  -156.195.8124.4-150.2171.4-177.6178.50112.8
68M28.7Very low29.1Very low190 Ų190157 Ų15794%0.93682%0.818SS**  trans-80136.4150.9-88.9169.7173.500108.9
69S28.9Very low28.9Very low101 Ų101155 Ų15571%0.70681%0.814SS**  trans-134.3108.9164.3-72.50000108
70L30Very low28.8Very low154 Ų154153.7 Ų153.781%0.80682%0.816SS**  trans-88.7131.5156.5-80.5160.1000107.1
71Y30.2Very low28.6Very low241 Ų241154.1 Ų154.195%0.94582%0.817SS**  trans-157.9132.7134-89.5-69.6000108.9
72S31.7Very low28.4Very low103 Ų103150.1 Ų150.172%0.7281%0.813SS**  trans-85.3165.4170.1-59.40000110.5
73E29.3Very low28.2Very low189 Ų189143 Ų14388%0.88381%0.807SS**  141.5123.1125.7-67.2-155.8137.700116
74A30Very low27.7Very low92 Ų92144.8 Ų144.876%0.7681%0.808SS**  71.9113.9129.900000123.4
75D23.6Very low27.5Very low151 Ų151143.2 Ų143.281%0.80780%0.804SS**  90.8148.2113.3-158.543.2000122.8
76S27.6Very low27.4Very low107 Ų107141.7 Ų141.775%0.74881%0.805SS**  trans90.3128.4159-76.60000119.8
77G27.4Very low27.3Very low74 Ų74139.1 Ų139.176%0.76380%0.804SS**  trans-120.1179.2-172.100000115.9
78Y27.9Very low27.2Very low245 Ų245136.1 Ų136.196%0.96180%0.804SS**  trans-170.7150.7157.3-144-102.9000109.7
79G24.1Very low27.2Very low63 Ų63133.9 Ų133.965%0.64980%0.801SS**  trans-95.1-178.8-168.800000117.5
80S25.3Very low27.1Very low113 Ų113135.5 Ų135.579%0.7981%0.807SS**  trans101.2119.7153.6-91.50000121.6
81Y25.4Very low27Very low235 Ų235133.5 Ų133.592%0.92280%0.803SS**  trans77117.7150.6-84.2-100000121.7
82G26.3Very low26.9Very low75 Ų75128.4 Ų128.477%0.77380%0.801SS**  trans151.591.2151.300000116.9
83G24.3Very low26.8Very low71 Ų71132.6 Ų132.673%0.73281%0.809SS**  trans49.2113137.100000122.9
84F22.9Very low26.7Very low206 Ų206133.5 Ų133.590%0.90481%0.81SS**  trans61.8130.6131.8-90.5-87.5000122.7
85V24.8Very low26.8Very low123 Ų123133.6 Ų133.675%0.74581%0.805SS**  trans78.2124153.3-125.10000121.1
86S27.9Very low27.3Very low108 Ų108132.2 Ų132.276%0.75581%0.805SS**  trans100.4116.9142.7-53.70000117.8
87A28.6Very low27.7Very low91 Ų91133.6 Ų133.675%0.75280%0.804SS**  trans-58145.1178.600000113.3
88P27.6Very low28.1Very low126 Ų126133.8 Ų133.882%0.81881%0.805SS**  trans-78.1131.9179.430.1-31.3000111.4
89T27.1Very low28.5Very low143 Ų143127.1 Ų127.188%0.87779%0.79SS**  trans-80.6112.9164.935.10000108.5
90T27.3Very low28.9Very low135 Ų135134.6 Ų134.683%0.82880%0.799SS**  trans-80.5145.4166.711.40000110.7
91P28.1Very low29.2Very low113 Ų113135.6 Ų135.673%0.73480%0.8SS**  trans-82.5135.5-164.831.3-31.8000112.8Q93P91-Q93 PolarHBondContact O-N 2.85Å
92C27.2Very low29.5Very low133 Ų133132.9 Ų132.990%0.89979%0.793SS**  trans-69.1115.4168.9-82.20000110.4
93Q29.9Very low29.8Very low192 Ų192134.7 Ų134.790%0.89779%0.791SS**PPolyproline II helixtrans-73.3135.7163.1-72-169.8-21.700110.1P91P91-Q93 PolarHBondContact O-N 2.85Å
94K28.3Very low30.2Very low207 Ų207137.2 Ų137.290%0.980%0.795SS**PPolyproline II helixtrans-67.7128.5-179.5-68.2173.5178.2175.10110.3
95S32Very low30.6Very low94 Ų94132.4 Ų132.466%0.65779%0.793SS**PPolyproline II helixtrans-76.2144.1164.5174.30000109.8N97S95-N97 PolarHBondContact O-N 3.29Å
96P32.8Very low31Very low123 Ų123132.9 Ų132.980%0.79980%0.796SS**THydrogen-bonded Turntrans-66.8-9.4-168.5-17.730.8000115.4
97N36.8Very low31.4Very low136 Ų136133.5 Ų133.573%0.72780%0.797SS**THydrogen-bonded Turntrans-12425.7-170.4-75.1-15.1000115.5S95 V99S95-N97 PolarHBondContact O-N 3.29Å; N97-V99 VanDerWaalsContact C-N 3.26Å; N97-V99 WeakPolarHBondContact O-CG2 3.19Å; N97-V99 PolarHBondContact O-N 2.99Å
98G35.7Very low31.4Very low77 Ų77138.2 Ų138.279%0.79480%0.804SS**  trans58.321.3159.300000118.3
99V36.3Very low31.8Very low105 Ų105138.3 Ų138.364%0.63680%0.804SS**PPolyproline II helixtrans-87.6122.6178.7-177.10000110.5N97N97-V99 VanDerWaalsContact C-N 3.26Å; N97-V99 WeakPolarHBondContact O-CG2 3.19Å; N97-V99 PolarHBondContact O-N 2.99Å
100R31.6Very low32.2Very low220 Ų220135 Ų13583%0.8380%0.799SS**PPolyproline II helixtrans-81.6125.4170.4-70.6-173.5177-157.70.2110.2
101V33Very low32.7Very low135 Ų135134.2 Ų134.282%0.81880%0.796SS**PPolyproline II helixtrans-98.8122.7169.5-173.70000108
102F31Very low32.7Very low177 Ų177137.1 Ų137.178%0.77680%0.8SS**PPolyproline II helixtrans-82.5146.3174.5-80.2-84.9000111.2
103P32.5Very low33.1Very low114 Ų114138.6 Ų138.674%0.7479%0.794SS**PPolyproline II helixtrans-72.9157.1177.4-4.420.8000112
104P33.2Very low33Very low124 Ų124137.4 Ų137.481%0.80579%0.788SS**PPolyproline II helixtrans-71.3133175.329.1-31.3000111.1
105A30.5Very low33.2Very low104 Ų104134.9 Ų134.986%0.8678%0.783SS**PPolyproline II helixtrans-73.5133175.400000111.7
106V32.9Very low33.4Very low133 Ų133138.1 Ų138.181%0.80679%0.792SS**PPolyproline II helixtrans-75.7143.2172.3-179.10000109.5
107P36.4Very low33.4Very low122 Ų122138.4 Ų138.479%0.79279%0.794SS**PPolyproline II helixtrans-81.1136.8-174.431.1-31.7000112.4
108Q30.3Very low33.2Very low190 Ų190140.4 Ų140.489%0.88880%0.799SS**  trans-112150.2164.7-78.4-161.7-22.200111.3
109P34.2Very low33.5Very low127 Ų127141.8 Ų141.883%0.82579%0.794SS**  trans-84.5148.6-174.830.6-23.8000112.4
110G36.2Very low33.6Very low74 Ų74141.1 Ų141.176%0.76380%0.799SS**  trans-72.6-179.8-170.900000116.4
111P36.9Very low33.9Very low118 Ų118136.4 Ų136.477%0.76680%0.8SS**  -141.1143.9110.234.7-19.4000116.4
112Q29.9Very low34Very low174 Ų174137.9 Ų137.981%0.81380%0.802SS**  trans59.1107.8135.7-66.8176.3-23.300122.8
113Q34.8Very low34.3Very low165 Ų165134.4 Ų134.477%0.77180%0.798SS**  59.4111.3126.8-66.8179.8-13.100119.9
114H28.1Very low34.8Very low167 Ų167134.9 Ų134.977%0.77380%0.801SS**  -166.7130.2109.1-106.9-78.3000113
115L33.1Very low35.3Very low154 Ų154134.2 Ų134.281%0.80679%0.789SS**  trans64.5118.5148.8-63154.3000121
116L34.9Very low36.1Very low162 Ų162132 Ų13285%0.84877%0.766SS**  trans-69.9158.2160.9-70.1161.7000111.1
117P33.8Very low37.1Very low129 Ų129133.7 Ų133.784%0.83876%0.758SS**  -135.4170.596.123.4-3000115
118H31.6Very low38.2Very low178 Ų178132.8 Ų132.882%0.82475%0.746SS**  trans-88.4-170.6-163.3-146.2-7.3000113.2
119P43.4Very low40.2Very low106 Ų106123.9 Ų123.969%0.68871%0.705SS**  -105.9124-113.237.1-19.8000114.4
120A37.9Very low42.5Very low90 Ų90119.3 Ų119.374%0.74468%0.676SS**  trans-162.2146.1158.700000109.6
121S36.3Very low44.9Very low121 Ų121115.8 Ų115.885%0.84664%0.64SS**  trans65.191.2173.247.90000117.7
122L35.1Very low47.4Very low166 Ų166112.7 Ų112.787%0.86962%0.619SS**PPolyproline II helixtrans-69.4143.8148.5-80155.8000108.7
123P38Very low50.2Low105 Ų105104.5 Ų104.568%0.68258%0.58SS**PPolyproline II helixtrans-65146.2177.126.6-32.1000111
124P42.9Very low52.6Low124 Ų12498.9 Ų98.981%0.80556%0.558SS**PPolyproline II helixtrans-65.1136.1177.625.9-30.6000110.4
125I43.6Very low55.4Low110 Ų11094.8 Ų94.856%0.56454%0.539SS*.PPolyproline II helixtrans-63.9132173.5-60.1169.4000107.6R127I125-R127 PolarHBondContact O-N 3.03Å
126P47.3Very low58.1Low58 Ų5890 Ų9038%0.37752%0.518SS..PPolyproline II helixtrans-64.1136.8-178.620.8-27.3000111.2N128 S129P126-N128 PolarHBondContact O-N 2.91Å; P126-S129 PolarHBondContact O-OG 3.43Å
127R54.4Low60.7Low168 Ų16889 Ų8963%0.63451%0.509SS*.SBendtrans-59.9126.2172.2-64.3177.7-175.8-893.9106.8I125 D144I125-R127 PolarHBondContact O-N 3.03Å; R127-D144 IonicContact CZ-OD1 3Å; R127-D144 IonicContact NH1-OD1 3.83Å; R127-D144 PolarHBondContact NH1-OD1 3.07Å; R127-D144 VanDerWaalsContact NH1-OD1 3.12Å; R127-D144 IonicContact NH1-OD2 3.25Å; R127-D144 PolarHBondContact NH1-OD2 3.01Å
128N59.2Low63.3Low102 Ų10290.4 Ų90.455%0.54550%0.497SS..  trans100.934.6-178.1-48.5-10.3000117.3T41 P126T41-N128 PolarHBondContact OG1-O 2.81Å; P126-N128 PolarHBondContact O-N 2.91Å
129S73.1Confident65.9Low4 Ų485.5 Ų85.53%0.02848%0.483CS..EExtended strand (participates in β ladder)trans-79.2137.4165.1-60.70000111P126 L142P126-S129 PolarHBondContact O-OG 3.43Å; S129-L142 WeakPolarHBondContact O-CB 3.32Å; S129-L142 WeakPolarHBondContact O-CG 3.23Å; S129-L142 PolarHBondContact O-N 2.79Å
130C82.9Confident67.8Low31 Ų3181.7 Ų81.721%0.20946%0.457CS..EExtended strand (participates in β ladder)trans-128.9150.2177.674.30000112.9V39 L140V39-C130 PolarHBondContact N-O 2.89Å; V39-C130 PolarHBondContact O-N 3.46Å; C130-L140 CarbonylContact C-O 3.57Å; C130-L140 WeakPolarHBondContact CA-O 3.33Å; C130-L140 WeakPolarHBondContact CB-O 3.44Å
131I86.4Confident69.8Low0 Ų084.1 Ų84.10%046%0.456CS..EExtended strand (participates in β ladder)trans-125.3133.2175.6-172.4167.8000109.9A34 I37 L38 S139 L140 L142 L147 F150A34-I131 HydrophobicContact CB-CD1 3.82Å; I37-I131 HydrophobicContact CD1-CD1 4.09Å; I37-I131 HydrophobicContact CD1-CG1 4.02Å; I37-I131 HydrophobicContact CG1-CD1 4.06Å; I37-I131 HydrophobicContact CG1-CG1 4.1Å; L38-I131 HydrophobicContact CD1-CB 4.44Å; I131-S139 CarbonylContact O-C 3.53Å; I131-L140 HydrophobicContact CG2-CB 3.99Å; I131-L140 HydrophobicContact CG2-CD1 4.38Å; I131-L140 PolarHBondContact N-O 2.92Å; I131-L140 PolarHBondContact O-N 3.05Å; I131-L142 HydrophobicContact CG2-CD2 3.92Å; I131-L147 HydrophobicContact CD1-CD2 3.91Å; I131-F150 HydrophobicContact CG2-CE2 4.3Å; I131-F150 HydrophobicContact CG2-CZ 4.32Å
132T87.7Confident71.9Confident53 Ų5379.3 Ų79.333%0.32542%0.421SS..EExtended strand (participates in β ladder)trans-103.7127175.4-600000109.7P134 S139T132-P134 WeakPolarHBondContact O-CD 3.33Å; T132-S139 PolarHBondContact OG1-OG 2.89Å
133C88.9Confident73.6Confident1 Ų175 Ų751%0.00740%0.399CS..  trans-65.1125.2176.6-179.90000110.2L23 Q135 C136 H137 R138L23-C133 HydrophobicContact CD1-CB 3.82Å; C133-Q135 PolarHBondContact O-N 2.8Å; C133-C136 VanDerWaalsContact SG-SG 3.61Å; C133-H137 WeakPolarHBondContact O-CA 3.4Å; C133-H137 PolarHBondContact O-N 2.79Å; C133-R138 PolarHBondContact N-O 3.03Å
134P87.1Confident74.9Confident47 Ų4775.9 Ų75.931%0.30540%0.398SS..THydrogen-bonded Turntrans-72.4-14.1-179.429-36000113.9P11 V12 T132P11-P134 HydrophobicContact CB-CG 4.23Å; P11-P134 HydrophobicContact CG-CG 3.7Å; V12-P134 HydrophobicContact CG2-CB 4.39Å; V12-P134 HydrophobicContact CG2-CG 3.89Å; T132-P134 WeakPolarHBondContact O-CD 3.33Å
135Q86.5Confident76.1Confident82 Ų8276.9 Ų76.938%0.38339%0.385SS..THydrogen-bonded Turntrans-94.7-36.7-178-73.5177.5-43.300113.3P11 H27 C133P11-Q135 HydrophobicContact CB-CG 4.05Å; P11-Q135 HydrophobicContact CG-CG 3.9Å; H27-Q135 PolarHBondContact CD2-OE1 2.61Å; C133-Q135 PolarHBondContact O-N 2.8Å
136C90.1Very high77.7Confident53 Ų5371.9 Ų71.936%0.35836%0.361SS..THydrogen-bonded Turntrans-122.14.9-179.866.60000114.5C133 R138C133-C136 VanDerWaalsContact SG-SG 3.61Å; C136-R138 PolarHBondContact O-N 2.97Å
137H89.2Confident79Confident141 Ų14170 Ų7065%0.65335%0.348SS*.  trans57.814.5177.4-53.3-63.5000115.8C133 S139C133-H137 WeakPolarHBondContact O-CA 3.4Å; C133-H137 PolarHBondContact O-N 2.79Å; H137-S139 PolarHBondContact O-N 2.81Å
138R88.2Confident79.9Confident158 Ų15872.3 Ų72.360%0.59636%0.356SS*.  trans-76.2122.9175.6-166.5172.2-172.5172.13110.7C133 C136C133-R138 PolarHBondContact N-O 3.03Å; C136-R138 PolarHBondContact O-N 2.97Å
139S86.7Confident80.5Confident76 Ų7669.2 Ų69.253%0.53135%0.349SS..EExtended strand (participates in β ladder)trans-84.3142174.8-580000112I131 T132 H137I131-S139 CarbonylContact O-C 3.53Å; T132-S139 PolarHBondContact OG1-OG 2.89Å; H137-S139 PolarHBondContact O-N 2.81Å
140L82.1Confident80.9Confident25 Ų2570.5 Ų70.513%0.13135%0.354CS..EExtended strand (participates in β ladder)trans-133126.6-175.3-62.9165.1000109.7L23 P24 C130 I131L23-L140 HydrophobicContact CB-CD1 4.25Å; L23-L140 HydrophobicContact CD2-CD1 4.34Å; P24-L140 HydrophobicContact CB-CD1 4.45Å; P24-L140 HydrophobicContact CB-CD2 4.03Å; P24-L140 HydrophobicContact CG-CD1 3.94Å; P24-L140 HydrophobicContact CG-CD2 3.93Å; C130-L140 CarbonylContact C-O 3.57Å; C130-L140 WeakPolarHBondContact CA-O 3.33Å; C130-L140 WeakPolarHBondContact CB-O 3.44Å; I131-L140 HydrophobicContact CG2-CB 3.99Å; I131-L140 HydrophobicContact CG2-CD1 4.38Å; I131-L140 PolarHBondContact N-O 2.92Å; I131-L140 PolarHBondContact O-N 3.05Å
141I80.6Confident80.8Confident142 Ų14273 Ų7373%0.72837%0.37SS*.EExtended strand (participates in β ladder)trans-83.3131.1174.9-56.1173.8000108.1
142L79.8Confident80.7Confident19 Ų1978.1 Ų78.110%0.09939%0.392CS..  trans-84.8141.7179.7-57.4-173.3000111.3L38 S129 I131 L147 F150L38-L142 HydrophobicContact CD1-CD1 3.37Å; L38-L142 HydrophobicContact CD1-CG 4.36Å; S129-L142 WeakPolarHBondContact O-CB 3.32Å; S129-L142 WeakPolarHBondContact O-CG 3.23Å; S129-L142 PolarHBondContact O-N 2.79Å; I131-L142 HydrophobicContact CG2-CD2 3.92Å; L142-L147 HydrophobicContact CD1-CD2 3.84Å; L142-L147 HydrophobicContact CD1-CG 4.04Å; L142-L147 HydrophobicContact CD2-CD2 4.31Å; L142-F150 HydrophobicContact CD2-CE2 3.43Å; L142-F150 VanDerWaalsContact CD2-CE2 3.43Å; L142-F150 HydrophobicContact CD2-CZ 3.54Å
143D70.7Confident80.5Confident77 Ų7777 Ų7741%0.41238%0.384SS..  trans-77.5179.8170.770.2-9.9000111R145 G146D143-R145 PolarHBondContact O-N 2.9Å; D143-R145 WeakPolarHBondContact OD1-CB 3.31Å; D143-R145 PolarHBondContact OD1-N 2.97Å; D143-R145 IonicContact OD2-CZ 2.7Å; D143-R145 IonicContact OD2-NE 2.79Å; D143-R145 PolarHBondContact OD2-NE 2.77Å; D143-R145 IonicContact OD2-NH2 3.59Å; D143-R145 PolarHBondContact OD2-NH2 2.99Å; D143-G146 PolarHBondContact O-N 2.89Å; D143-G146 PolarHBondContact OD1-N 3.23Å
144D65.5Low80.2Confident123 Ų12385.3 Ų85.366%0.65842%0.415SS*.THydrogen-bonded Turntrans-58.8-12.5179-67.1-23.9000113.1R127R127-D144 IonicContact CZ-OD1 3Å; R127-D144 IonicContact NH1-OD1 3.83Å; R127-D144 PolarHBondContact NH1-OD1 3.07Å; R127-D144 VanDerWaalsContact NH1-OD1 3.12Å; R127-D144 IonicContact NH1-OD2 3.25Å; R127-D144 PolarHBondContact NH1-OD2 3.01Å
145R69Low80Confident144 Ų14488.1 Ų88.154%0.54343%0.432SS..THydrogen-bonded Turntrans-91.6-5.8175.3-65.4-179-73.1-158.80.2113.4D143 R148D143-R145 PolarHBondContact O-N 2.9Å; D143-R145 WeakPolarHBondContact OD1-CB 3.31Å; D143-R145 PolarHBondContact OD1-N 2.97Å; D143-R145 IonicContact OD2-CZ 2.7Å; D143-R145 IonicContact OD2-NE 2.79Å; D143-R145 PolarHBondContact OD2-NE 2.77Å; D143-R145 IonicContact OD2-NH2 3.59Å; D143-R145 PolarHBondContact OD2-NH2 2.99Å; R145-R148 WeakPolarHBondContact O-CB 3.39Å; R145-R148 PolarHBondContact O-N 3.04Å
146G77.1Confident79.9Confident6 Ų685.2 Ų85.26%0.06242%0.418CS..G310 helixtrans56.3-146.4175.400000113D143 R148 G149D143-G146 PolarHBondContact O-N 2.89Å; D143-G146 PolarHBondContact OD1-N 3.23Å; G146-R148 PolarHBondContact O-N 3.25Å; G146-R148 VanDerWaalsContact O-N 3.08Å; G146-G149 PolarHBondContact O-N 2.95Å
147L74.7Confident79.4Confident17 Ų1785.9 Ų85.99%0.08942%0.416CS..G310 helixtrans-64.2-13.1177.6-63.6176.5000114.1L31 A34 R35 L38 I131 L142 G149 F150L31-L147 HydrophobicContact CD1-CB 4.45Å; A34-L147 HydrophobicContact CB-CD1 4.1Å; A34-L147 HydrophobicContact CB-CD2 4.24Å; R35-L147 HydrophobicContact CB-CD1 4.24Å; R35-L147 HydrophobicContact CG-CD1 3.66Å; L38-L147 HydrophobicContact CD1-CD2 4.37Å; L38-L147 HydrophobicContact CD2-CD1 4.35Å; I131-L147 HydrophobicContact CD1-CD2 3.91Å; L142-L147 HydrophobicContact CD1-CD2 3.84Å; L142-L147 HydrophobicContact CD1-CG 4.04Å; L142-L147 HydrophobicContact CD2-CD2 4.31Å; L147-G149 VanDerWaalsContact C-N 3.27Å; L147-F150 HydrophobicContact CD2-CD2 4.22Å; L147-F150 HydrophobicContact CD2-CE2 3.94Å
148R72.6Confident79Confident217 Ų21780.1 Ų80.182%0.81940%0.396SS*.G310 helixtrans-77.5-15.7175.1-62.1-173.6178.8-141.82.7112.3R145 G146 F150R145-R148 WeakPolarHBondContact O-CB 3.39Å; R145-R148 PolarHBondContact O-N 3.04Å; G146-R148 PolarHBondContact O-N 3.25Å; G146-R148 VanDerWaalsContact O-N 3.08Å; R148-F150 VanDerWaalsContact C-N 3.26Å; R148-F150 PolarHBondContact O-N 2.91Å
149G71.6Confident78.8Confident38 Ų3874.2 Ų74.239%0.39238%0.377SS..G310 helixtrans-71.9-15.7175.900000114.1G146 L147G146-G149 PolarHBondContact O-N 2.95Å; L147-G149 VanDerWaalsContact C-N 3.27Å
150F82.5Confident78.6Confident31 Ų3170.7 Ų70.714%0.13635%0.352CS..SBendtrans-82.9137.9179.4-64.7-60.9000112.7I21 L23 P24 I131 L142 L147 R148 K152I21-F150 HydrophobicContact CB-CB 4Å; I21-F150 HydrophobicContact CD1-CB 4.17Å; I21-F150 HydrophobicContact CD1-CD2 3.81Å; I21-F150 HydrophobicContact CD1-CG 4.29Å; I21-F150 HydrophobicContact CG2-CB 4.45Å; L23-F150 HydrophobicContact CD2-CE2 4.3Å; L23-F150 HydrophobicContact CD2-CZ 4.32Å; P24-F150 VanDerWaalsContact CD-CE1 3.42Å; P24-F150 HydrophobicContact CG-CE1 3.93Å; I131-F150 HydrophobicContact CG2-CE2 4.3Å; I131-F150 HydrophobicContact CG2-CZ 4.32Å; L142-F150 HydrophobicContact CD2-CE2 3.43Å; L142-F150 VanDerWaalsContact CD2-CE2 3.43Å; L142-F150 HydrophobicContact CD2-CZ 3.54Å; L147-F150 HydrophobicContact CD2-CD2 4.22Å; L147-F150 HydrophobicContact CD2-CE2 3.94Å; R148-F150 VanDerWaalsContact C-N 3.26Å; R148-F150 PolarHBondContact O-N 2.91Å; F150-K152 PolarHBondContact O-N 3.46Å
151P80.8Confident78.4Confident84 Ų8472.9 Ų72.955%0.54536%0.364SS..PPolyproline II helixtrans-60.8133.5174.7-22.433000112.3I21 I22I21-P151 WeakPolarHBondContact CA-O 3.28Å; I22-P151 PolarHBondContact N-O 3.16Å
152K83.1Confident78.3Confident107 Ų10773.3 Ų73.347%0.46536%0.356SS..BIsolated β-bridgetrans-76.6127.6170.9-66.1-169.1177.9-165.90110.6E19 P20 F150 R154E19-K152 IonicContact OE1-NZ 3.12Å; E19-K152 PolarHBondContact OE1-NZ 3.24Å; P20-K152 CarbonylContact O-C 3.6Å; P20-K152 WeakPolarHBondContact O-CA 3.32Å; F150-K152 PolarHBondContact O-N 3.46Å; K152-R154 PolarHBondContact O-N 3.35Å
153N84.6Confident78.3Confident30 Ų3073.1 Ų73.116%0.1636%0.355CS..  trans-84.472.1178.3-161.2-18.9000112.2P20 I22 N28 V155 L156 E157P20-N153 HydrophobicContact CB-CB 4.26Å; P20-N153 HydrophobicContact CG-CB 4Å; P20-N153 WeakPolarHBondContact CG-O 3.38Å; P20-N153 PolarHBondContact O-N 2.97Å; I22-N153 HydrophobicContact CD1-CB 3.88Å; I22-N153 HydrophobicContact CG1-CB 3.6Å; N28-N153 PolarHBondContact OD1-ND2 2.95Å; N153-V155 PolarHBondContact O-N 3.03Å; N153-V155 PolarHBondContact OD1-N 2.59Å; N153-L156 HydrophobicContact CB-CB 4.01Å; N153-L156 PolarHBondContact O-N 2.77Å; N153-L156 WeakPolarHBondContact OD1-CB 3.47Å; N153-L156 PolarHBondContact OD1-N 2.93Å; N153-E157 PolarHBondContact O-N 2.58Å
154R81.9Confident78.5Confident174 Ų17473 Ų7366%0.65735%0.352SS*.Hα-helixtrans-61.5-23.2177.1-64.1-176.2179.1175.61.2113.1K152 G158K152-R154 PolarHBondContact O-N 3.35Å; R154-G158 PolarHBondContact O-N 2.9Å
155V83.1Confident78.6Confident107 Ų10770.8 Ų70.865%0.64834%0.337SS*.Hα-helixtrans-69.9-46.7176.4-1800000110.2N153 G158 V159N153-V155 PolarHBondContact O-N 3.03Å; N153-V155 PolarHBondContact OD1-N 2.59Å; V155-G158 CarbonylContact O-C 3.52Å; V155-G158 PolarHBondContact O-N 3.04Å; V155-V159 HydrophobicContact CG1-CG2 4.44Å; V155-V159 VanDerWaalsContact O-CG2 3.27Å; V155-V159 WeakPolarHBondContact O-CG2 3.29Å; V155-V159 PolarHBondContact O-N 3.08Å
156L84.4Confident78.5Confident20 Ų2067.6 Ų67.611%0.10534%0.337CS..Hα-helixtrans-62.1-43176.8179.358.3000111.8L8 Y17 P20 N28 N153 G158 V159 V160L8-L156 HydrophobicContact CD2-CD1 3.89Å; Y17-L156 HydrophobicContact CD1-CD2 4.39Å; Y17-L156 HydrophobicContact CD2-CD1 4.28Å; Y17-L156 HydrophobicContact CD2-CD2 3.61Å; Y17-L156 HydrophobicContact CD2-CG 4.07Å; Y17-L156 HydrophobicContact CE2-CD2 3.89Å; Y17-L156 HydrophobicContact CG-CD2 3.87Å; Y17-L156 HydrophobicContact CG-CG 4.39Å; P20-L156 HydrophobicContact CB-CD2 3.98Å; P20-L156 HydrophobicContact CG-CB 4.2Å; P20-L156 HydrophobicContact CG-CD2 4.09Å; P20-L156 HydrophobicContact CG-CG 4.26Å; N28-L156 HydrophobicContact CB-CD2 3.69Å; N153-L156 HydrophobicContact CB-CB 4.01Å; N153-L156 PolarHBondContact O-N 2.77Å; N153-L156 WeakPolarHBondContact OD1-CB 3.47Å; N153-L156 PolarHBondContact OD1-N 2.93Å; L156-G158 VanDerWaalsContact C-N 3.34Å; L156-G158 PolarHBondContact O-N 2.83Å; L156-V159 WeakPolarHBondContact O-CB 3.18Å; L156-V159 PolarHBondContact O-N 2.77Å; L156-V159 VanDerWaalsContact O-N 3.09Å; L156-V160 HydrophobicContact CD1-CG2 4.4Å; L156-V160 WeakPolarHBondContact O-CG2 3.44Å; L156-V160 PolarHBondContact O-N 3.13Å
157E80.1Confident77.9Confident67 Ų6773.5 Ų73.531%0.31336%0.361SS..Hα-helixtrans-57.8-46173.1-171.8167.5-134.100111.4E19 P20 N153 V159 V160 D161E19-E157 PolarHBondContact N-OE1 3.06Å; P20-E157 HydrophobicContact CG-CB 4.49Å; N153-E157 PolarHBondContact O-N 2.58Å; E157-V159 VanDerWaalsContact C-N 3.32Å; E157-V159 PolarHBondContact O-N 2.79Å; E157-V160 PolarHBondContact O-N 3.12Å; E157-D161 WeakPolarHBondContact O-CB 3.44Å; E157-D161 PolarHBondContact O-N 2.94Å
158G79.8Confident77.3Confident21 Ų2175.6 Ų75.622%0.21638%0.38CS..Hα-helixtrans-66.6-27.417400000114.6R154 V155 L156 R162R154-G158 PolarHBondContact O-N 2.9Å; V155-G158 CarbonylContact O-C 3.52Å; V155-G158 PolarHBondContact O-N 3.04Å; L156-G158 VanDerWaalsContact C-N 3.34Å; L156-G158 PolarHBondContact O-N 2.83Å; G158-R162 WeakPolarHBondContact O-CB 3.46Å; G158-R162 VanDerWaalsContact O-CG 3.26Å; G158-R162 WeakPolarHBondContact O-CG 3.46Å; G158-R162 PolarHBondContact O-N 2.88Å; G158-R162 VanDerWaalsContact O-N 3.11Å
159V83.4Confident76.6Confident33 Ų3369.4 Ų69.420%0.238%0.376CS..Hα-helixtrans-72.7-45.8172.8173.60000110.1M4 L8 V155 L156 E157 D161 R162 Y163M4-V159 HydrophobicContact CE-CG1 3.87Å; L8-V159 HydrophobicContact CD2-CG1 3.78Å; V155-V159 HydrophobicContact CG1-CG2 4.44Å; V155-V159 VanDerWaalsContact O-CG2 3.27Å; V155-V159 WeakPolarHBondContact O-CG2 3.29Å; V155-V159 PolarHBondContact O-N 3.08Å; L156-V159 WeakPolarHBondContact O-CB 3.18Å; L156-V159 PolarHBondContact O-N 2.77Å; L156-V159 VanDerWaalsContact O-N 3.09Å; E157-V159 VanDerWaalsContact C-N 3.32Å; E157-V159 PolarHBondContact O-N 2.79Å; V159-D161 VanDerWaalsContact C-N 3.35Å; V159-R162 PolarHBondContact O-N 3.02Å; V159-Y163 WeakPolarHBondContact O-CB 3.18Å; V159-Y163 PolarHBondContact O-N 3.01Å
160V83Confident76.1Confident3 Ų370.1 Ų70.12%0.01838%0.378CS..Hα-helixtrans-57.3-48.6174.31680000110.2L8 F16 L156 E157 R162 Y163 Q164L8-V160 HydrophobicContact CB-CG2 4.18Å; L8-V160 HydrophobicContact CD2-CG2 4.05Å; F16-V160 HydrophobicContact CB-CG1 3.75Å; F16-V160 HydrophobicContact CD1-CG1 4.2Å; F16-V160 HydrophobicContact CG-CG1 4.19Å; L156-V160 HydrophobicContact CD1-CG2 4.4Å; L156-V160 WeakPolarHBondContact O-CG2 3.44Å; L156-V160 PolarHBondContact O-N 3.13Å; E157-V160 PolarHBondContact O-N 3.12Å; V160-R162 VanDerWaalsContact C-N 3.33Å; V160-R162 PolarHBondContact O-N 2.83Å; V160-Y163 PolarHBondContact O-N 2.83Å; V160-Q164 HydrophobicContact CG1-CG 4.26Å; V160-Q164 WeakPolarHBondContact O-CB 3.4Å; V160-Q164 VanDerWaalsContact O-CG 3.29Å; V160-Q164 WeakPolarHBondContact O-CG 3.35Å; V160-Q164 PolarHBondContact O-N 3.04Å
161D77Confident75.8Confident71 Ų7170.8 Ų70.838%0.3838%0.383SS..Hα-helixtrans-58.8-44.9176.8-79.5-16.2000111.4E157 V159 Q165E157-D161 WeakPolarHBondContact O-CB 3.44Å; E157-D161 PolarHBondContact O-N 2.94Å; V159-D161 VanDerWaalsContact C-N 3.35Å; D161-Q165 WeakPolarHBondContact O-CB 3.27Å; D161-Q165 WeakPolarHBondContact O-CG 3.24Å; D161-Q165 PolarHBondContact O-N 3.14Å
162R78.8Confident75.9Confident150 Ų15073.1 Ų73.157%0.56638%0.384SS*.Hα-helixtrans-63.1-43.7176.4-78.3-172.3-60.1-101.53.5112.1G158 V159 V160 Q165 S166G158-R162 WeakPolarHBondContact O-CB 3.46Å; G158-R162 VanDerWaalsContact O-CG 3.26Å; G158-R162 WeakPolarHBondContact O-CG 3.46Å; G158-R162 PolarHBondContact O-N 2.88Å; G158-R162 VanDerWaalsContact O-N 3.11Å; V159-R162 PolarHBondContact O-N 3.02Å; V160-R162 VanDerWaalsContact C-N 3.33Å; V160-R162 PolarHBondContact O-N 2.83Å; R162-Q165 PolarHBondContact O-N 2.95Å; R162-S166 WeakPolarHBondContact O-CB 3.32Å; R162-S166 PolarHBondContact O-N 2.88Å; R162-S166 PolarHBondContact O-OG 2.89Å; R162-S166 VanDerWaalsContact O-OG 3.06Å
163Y79.6Confident76Confident16 Ų1668.2 Ų68.26%0.06336%0.363CS..Hα-helixtrans-64.4-45.2179.3-177.7-96.9000111.7M1 M4 E5 L8 F16 V159 V160 S166 K167M1-Y163 HydrophobicContact CG-CE2 3.86Å; M1-Y163 PolarHBondContact O-OH 2.92Å; M1-Y163 HydrophobicContact SD-CE2 4.48Å; M4-Y163 HydrophobicContact SD-CD2 4.28Å; M4-Y163 HydrophobicContact SD-CE2 4.48Å; E5-Y163 HydrophobicContact CB-CE1 4.43Å; E5-Y163 HydrophobicContact CG-CE1 4.08Å; E5-Y163 PolarHBondContact OE2-OH 2.85Å; L8-Y163 HydrophobicContact CD1-CD1 3.56Å; L8-Y163 HydrophobicContact CD1-CD2 3.74Å; L8-Y163 HydrophobicContact CD1-CE1 4.14Å; L8-Y163 HydrophobicContact CD1-CE2 4.29Å; L8-Y163 HydrophobicContact CD1-CG 3.34Å; F16-Y163 AromaticContact CE1-CD1 3.91Å; F16-Y163 HydrophobicContact CE1-CD1 3.91Å; F16-Y163 AromaticContact CE1-CE1 3.92Å; F16-Y163 HydrophobicContact CE1-CE1 3.92Å; F16-Y163 HydrophobicContact CZ-CD1 4.17Å; F16-Y163 AromaticContact CZ-CE1 3.96Å; F16-Y163 HydrophobicContact CZ-CE1 3.96Å; V159-Y163 WeakPolarHBondContact O-CB 3.18Å; V159-Y163 PolarHBondContact O-N 3.01Å; V160-Y163 PolarHBondContact O-N 2.83Å; Y163-S166 WeakPolarHBondContact CA-OG 3.31Å; Y163-S166 PolarHBondContact O-N 3.16Å; Y163-S166 PolarHBondContact O-OG 2.83Å; Y163-K167 WeakPolarHBondContact O-CB 3.23Å; Y163-K167 PolarHBondContact O-N 2.84Å
164Q75.1Confident75.9Confident74 Ų7471.6 Ų71.635%0.34638%0.378SS..Hα-helixtrans-65.8-39.5174.7-71178.4-10.500111.7F16 V160 K167 A168F16-Q164 VanDerWaalsContact CB-NE2 3.26Å; F16-Q164 HydrophobicContact CD2-CG 4.32Å; F16-Q164 HydrophobicContact CE2-CG 4.36Å; V160-Q164 HydrophobicContact CG1-CG 4.26Å; V160-Q164 WeakPolarHBondContact O-CB 3.4Å; V160-Q164 VanDerWaalsContact O-CG 3.29Å; V160-Q164 WeakPolarHBondContact O-CG 3.35Å; V160-Q164 PolarHBondContact O-N 3.04Å; Q164-K167 PolarHBondContact O-N 3.09Å; Q164-A168 VanDerWaalsContact O-CB 3.27Å; Q164-A168 WeakPolarHBondContact O-CB 3.46Å; Q164-A168 PolarHBondContact O-N 3.41Å
165Q68.6Low76.1Confident77 Ų7766.5 Ų66.536%0.3636%0.364SS..Hα-helixtrans-72-26.6177.7-77.4173.13600114.1D161 R162 R221D161-Q165 WeakPolarHBondContact O-CB 3.27Å; D161-Q165 WeakPolarHBondContact O-CG 3.24Å; D161-Q165 PolarHBondContact O-N 3.14Å; R162-Q165 PolarHBondContact O-N 2.95Å; Q165-R221 PolarHBondContact O-NH2 2.86Å; Q165-R221 VanDerWaalsContact O-NH2 3.12Å
166S66.1Low76.2Confident76 Ų7662.9 Ų62.953%0.53134%0.343SS..Hα-helixtrans-76.2-32.1170.151.60000111.6R162 Y163R162-S166 WeakPolarHBondContact O-CB 3.32Å; R162-S166 PolarHBondContact O-N 2.88Å; R162-S166 PolarHBondContact O-OG 2.89Å; R162-S166 VanDerWaalsContact O-OG 3.06Å; Y163-S166 WeakPolarHBondContact CA-OG 3.31Å; Y163-S166 PolarHBondContact O-N 3.16Å; Y163-S166 PolarHBondContact O-OG 2.83Å
167K65.9Low75.7Confident130 Ų13069.3 Ų69.357%0.56537%0.372SS*.Hα-helixtrans-74.6-30.8173-150.3172.4-173.7175.70111.7E5 Y163 Q164 A169E5-K167 IonicContact OE2-NZ 3.71Å; E5-K167 PolarHBondContact OE2-NZ 2.91Å; Y163-K167 WeakPolarHBondContact O-CB 3.23Å; Y163-K167 PolarHBondContact O-N 2.84Å; Q164-K167 PolarHBondContact O-N 3.09Å; K167-A169 PolarHBondContact O-N 3.03Å
168A61.2Low75.1Confident61 Ų6175.7 Ų75.750%0.50440%0.399SS..  trans-86.372176.300000112.6Q164 A170Q164-A168 VanDerWaalsContact O-CB 3.27Å; Q164-A168 WeakPolarHBondContact O-CB 3.46Å; Q164-A168 PolarHBondContact O-N 3.41Å; A168-A170 PolarHBondContact O-N 3.37Å
169A57.5Low74.9Confident87 Ų8778.4 Ų78.472%0.71942%0.415SS*.  trans-85.923.6-171.300000116.7K167K167-A169 PolarHBondContact O-N 3.03Å
170A62.3Low74.6Confident53 Ų5380.2 Ų80.244%0.43843%0.427SS..  trans-134.4113174.300000112.2A168 E182A168-A170 PolarHBondContact O-N 3.37Å; A170-E182 HydrophobicContact CB-CG 4.5Å
171L75.4Confident74.6Confident46 Ų4686.1 Ų86.124%0.24145%0.453CS..  trans-78.8132.6174.5-66170.1000109A183 F193 P217 R221L171-A183 WeakPolarHBondContact O-CB 3.3Å; L171-A183 PolarHBondContact O-N 2.94Å; L171-F193 HydrophobicContact CD1-CD1 4.46Å; L171-F193 HydrophobicContact CD1-CE1 3.87Å; L171-F193 HydrophobicContact CD1-CZ 4.39Å; L171-P217 HydrophobicContact CB-CB 4.33Å; L171-P217 HydrophobicContact CD1-CB 3.53Å; L171-P217 WeakPolarHBondContact CD1-O 3.27Å; L171-R221 HydrophobicContact CD1-CB 4.37Å
172K82.3Confident74.9Confident132 Ų13288.9 Ų88.957%0.57446%0.463SS*.BIsolated β-bridgetrans-105.3149.9-174.5-59.4-167.8-179.9-172.60112.8P180 K181K172-P180 HydrophobicContact CB-CB 3.95Å; K172-P180 HydrophobicContact CD-CB 4.1Å; K172-K181 CarbonylContact C-O 3.58Å; K172-K181 WeakPolarHBondContact CA-O 3.44Å
173C85.3Confident75.2Confident4 Ų482.1 Ų82.13%0.02744%0.439CS..  trans-63.9134174.7179.20000111.2C176 K181 F193 C195 C198C173-C176 VanDerWaalsContact SG-SG 3.6Å; C173-K181 WeakPolarHBondContact CB-O 3.48Å; C173-K181 PolarHBondContact N-O 2.94Å; C173-F193 WeakPolarHBondContact CA-O 3.27Å; C173-C195 HydrophobicContact CB-CB 3.7Å; C173-C195 VanDerWaalsContact CB-N 3.32Å; C173-C195 PolarHBondContact SG-N 3.46Å; C173-C195 PolarHBondContact SG-SG 3.35Å; C173-C198 VanDerWaalsContact SG-CB 3.59Å
174Q84Confident75.4Confident101 Ų10184 Ų8447%0.47245%0.453SS..THydrogen-bonded Turntrans-92-7.1-175.3-69.1168.6-25.400113.9V192 F193Q174-V192 HydrophobicContact CB-CG1 4.24Å; Q174-F193 HydrophobicContact CG-CB 4.46Å; Q174-F193 PolarHBondContact N-O 2.82Å; Q174-F193 VanDerWaalsContact OE1-N 3.09Å
175L85Confident75.9Confident68 Ų6881.5 Ų81.536%0.35644%0.442SS..THydrogen-bonded Turntrans-114.518.9-177.7-62-168.8000114V192 Y194 C198 C202L175-V192 HydrophobicContact CG-CG1 4.25Å; L175-Y194 HydrophobicContact CD1-CD1 3.95Å; L175-Y194 HydrophobicContact CD1-CE1 3.42Å; L175-Y194 VanDerWaalsContact CD1-CE1 3.42Å; L175-Y194 HydrophobicContact CG-CD1 4.46Å; L175-Y194 HydrophobicContact CG-CE1 4.21Å; L175-C198 HydrophobicContact CB-CB 4.13Å; L175-C198 PolarHBondContact O-SG 3.43Å; L175-C202 HydrophobicContact CD1-CB 3.64Å
176C84.7Confident76.8Confident30 Ų3078 Ų7820%0.20343%0.426CS..  trans-86.8123.2171.2-67.60000110.2C173 K178 S179C173-C176 VanDerWaalsContact SG-SG 3.6Å; C176-K178 PolarHBondContact O-N 2.82Å; C176-S179 WeakPolarHBondContact CB-O 3.41Å
177E74.9Confident77.6Confident155 Ų15574.4 Ų74.472%0.72440%0.401SS*.SBendtrans-75.4-20.5-174.3-69.4162-147.800114.8R201E177-R201 IonicContact OE1-NH2 2.77Å; E177-R201 PolarHBondContact OE1-NH2 3.03Å
178K66.9Low78.4Confident201 Ų20170.8 Ų70.887%0.87439%0.386SS*.SBendtrans-128.9-41.8-174.8-63.2-172.9-179.1-176.50114.5C176C176-K178 PolarHBondContact O-N 2.82Å
179S76.4Confident79.5Confident79 Ų7972.6 Ų72.655%0.55238%0.384SS*.SBendtrans-140.8108.3177.554.30000111.1C176 K181C176-S179 WeakPolarHBondContact CB-O 3.41Å; S179-K181 PolarHBondContact O-N 2.79Å
180P77.6Confident80.7Confident71 Ų7170.6 Ų70.646%0.46136%0.364SS..  trans-62.6107.1177.9-23.234.4000111.4K172K172-P180 HydrophobicContact CB-CB 3.95Å; K172-P180 HydrophobicContact CD-CB 4.1Å
181K82.6Confident81.6Confident127 Ų12771.5 Ų71.555%0.55236%0.362SS*.PPolyproline II helixtrans-74.3162171.7-63.8-172.2179.3-174.30110.3K172 C173 S179 A183 C195K172-K181 CarbonylContact C-O 3.58Å; K172-K181 WeakPolarHBondContact CA-O 3.44Å; C173-K181 WeakPolarHBondContact CB-O 3.48Å; C173-K181 PolarHBondContact N-O 2.94Å; S179-K181 PolarHBondContact O-N 2.79Å; K181-A183 PolarHBondContact O-N 2.91Å; K181-C195 HydrophobicContact CB-CB 4.04Å
182E83.6Confident81.9Confident128 Ų12870.7 Ų70.760%0.59836%0.359SS*.BIsolated β-bridgetrans-58134.7173.6-165.5171.1-173.100110.6A170 C195A170-E182 HydrophobicContact CB-CG 4.5Å; E182-C195 VanDerWaalsContact O-CB 3.31Å; E182-C195 WeakPolarHBondContact O-CB 3.41Å
183A83.9Confident82.1Confident8 Ų865.1 Ų65.17%0.06633%0.334CS..PPolyproline II helixtrans-74.4135.1177.600000109.2L171 K181 F193 Y194 P217L171-A183 WeakPolarHBondContact O-CB 3.3Å; L171-A183 PolarHBondContact O-N 2.94Å; K181-A183 PolarHBondContact O-N 2.91Å; A183-F193 HydrophobicContact CB-CB 3.77Å; A183-F193 HydrophobicContact CB-CD1 4.26Å; A183-F193 HydrophobicContact CB-CG 4.45Å; A183-Y194 CarbonylContact C-O 3.56Å; A183-Y194 WeakPolarHBondContact CA-O 3.45Å; A183-P217 HydrophobicContact CB-CG 4.26Å; A183-P217 WeakPolarHBondContact O-CG 3.39Å
184T84.1Confident82.1Confident57 Ų5765.5 Ų65.535%0.3534%0.336SS..  trans-103-25.2178.956.20000111.5Y194 D196 P217T184-Y194 PolarHBondContact N-O 2.96Å; T184-Y194 PolarHBondContact OG1-O 3.46Å; T184-D196 WeakPolarHBondContact CG2-OD2 3.39Å; T184-D196 PolarHBondContact OG1-N 3.39Å; T184-D196 PolarHBondContact OG1-OD1 3.37Å; T184-P217 WeakPolarHBondContact O-CD 2.88Å
185V86Confident82.4Confident20 Ų2060.9 Ų60.912%0.12131%0.314CS..EExtended strand (participates in β ladder)trans-145.7159.2177-62.40000111.9Y194 R199 L214V185-Y194 PolarHBondContact N-O 3.01Å; V185-Y194 PolarHBondContact O-N 3.36Å; V185-R199 HydrophobicContact CG2-CB 4.46Å; V185-R199 VanDerWaalsContact CG2-CD 3.48Å; V185-R199 HydrophobicContact CG2-CG 4.16Å; V185-L214 HydrophobicContact CB-CB 4.5Å; V185-L214 HydrophobicContact CG2-CD2 4.11Å
186M87.1Confident82.5Confident4 Ų460.9 Ų60.92%0.0232%0.315CS..EExtended strand (participates in β ladder)trans-121.3134.4167.2-168.8-168.182.200109.1E188 V192 F193 L214 V215 G220M186-E188 HydrophobicContact CE-CG 4.14Å; M186-V192 WeakPolarHBondContact CA-O 3.45Å; M186-F193 HydrophobicContact CB-CD1 3.69Å; M186-F193 HydrophobicContact CB-CE1 3.69Å; M186-F193 HydrophobicContact CB-CG 4.38Å; M186-F193 HydrophobicContact CB-CZ 4.39Å; M186-F193 HydrophobicContact CG-CD1 3.81Å; M186-F193 HydrophobicContact CG-CD2 4.29Å; M186-F193 HydrophobicContact CG-CE1 3.7Å; M186-F193 HydrophobicContact CG-CE2 4.19Å; M186-F193 HydrophobicContact CG-CG 4.12Å; M186-F193 HydrophobicContact CG-CZ 3.9Å; M186-F193 HydrophobicContact SD-CD1 4.33Å; M186-F193 HydrophobicContact SD-CE1 3.61Å; M186-F193 HydrophobicContact SD-CE2 3.86Å; M186-F193 HydrophobicContact SD-CZ 3.34Å; M186-F193 WeakPolarHBondContact SD-CZ 3.49Å; M186-L214 CarbonylContact O-C 3.55Å; M186-L214 WeakPolarHBondContact O-CA 3.28Å; M186-V215 HydrophobicContact CB-CG2 4.29Å; M186-V215 HydrophobicContact CE-CG2 3.95Å; M186-V215 PolarHBondContact N-O 3.16Å; M186-V215 PolarHBondContact O-N 3.5Å; M186-G220 VanDerWaalsContact SD-CA 3.56Å
187C84Confident82.6Confident0 Ų062.6 Ų62.60%033%0.325CS..EExtended strand (participates in β ladder)trans-85.5120.4169.4-179.40000109.1Q189 C190 D191 V192 Y194 H203 H212 L214C187-Q189 VanDerWaalsContact C-N 3.33Å; C187-Q189 PolarHBondContact O-N 3.46Å; C187-C190 HydrophobicContact CB-CB 3.91Å; C187-C190 VanDerWaalsContact SG-CB 3.59Å; C187-C190 PolarHBondContact SG-N 3.02Å; C187-C190 VanDerWaalsContact SG-N 3.38Å; C187-D191 VanDerWaalsContact O-CA 3.26Å; C187-D191 WeakPolarHBondContact O-CA 3.48Å; C187-D191 PolarHBondContact O-N 2.99Å; C187-V192 PolarHBondContact N-O 3.08Å; C187-Y194 HydrophobicContact CB-CD2 4.44Å; C187-Y194 HydrophobicContact CB-CE2 3.7Å; C187-H203 PolarHBondContact SG-NE2 3.41Å; C187-H212 VanDerWaalsContact SG-CB 3.54Å; C187-H212 PolarHBondContact SG-ND1 2.9Å; C187-L214 HydrophobicContact CB-CD2 3.63Å
188E82.7Confident83.2Confident55 Ų5555.4 Ų55.426%0.25729%0.292SS..THydrogen-bonded Turntrans-66.1-37.4-178.5-68.4-175.2131.900112M186 R213 V215M186-E188 HydrophobicContact CE-CG 4.14Å; E188-R213 VanDerWaalsContact CD-NH1 3.26Å; E188-R213 PolarHBondContact N-O 2.95Å; E188-R213 IonicContact OE1-NH1 3.99Å; E188-R213 PolarHBondContact OE1-NH1 3.23Å; E188-R213 WeakPolarHBondContact OE2-CB 3.43Å; E188-R213 WeakPolarHBondContact OE2-CD 3.26Å; E188-R213 VanDerWaalsContact OE2-CG 3.27Å; E188-R213 WeakPolarHBondContact OE2-CG 3.47Å; E188-R213 IonicContact OE2-CZ 3.71Å; E188-R213 IonicContact OE2-NE 3.41Å; E188-R213 IonicContact OE2-NH1 3.28Å; E188-R213 PolarHBondContact OE2-NH1 3.28Å; E188-V215 HydrophobicContact CG-CG1 3.95Å; E188-V215 HydrophobicContact CG-CG2 3.78Å
189Q83.3Confident84.2Confident99 Ų9949.2 Ų49.246%0.46326%0.263SS..THydrogen-bonded Turntrans-82.2-30.2-175.7-64.578.24.100112.7C187 H212 R213C187-Q189 VanDerWaalsContact C-N 3.33Å; C187-Q189 PolarHBondContact O-N 3.46Å; Q189-H212 HydrophobicContact CB-CB 4.29Å; Q189-H212 HydrophobicContact CG-CB 4.47Å; Q189-R213 VanDerWaalsContact CD-N 3.31Å; Q189-R213 PolarHBondContact OE1-O 3.36Å
190C82.1Confident84.5Confident44 Ų4450.3 Ų50.330%0.29726%0.262SS..THydrogen-bonded Turntrans-88-16173.5-62.60000112.3C187 V192 H212C187-C190 HydrophobicContact CB-CB 3.91Å; C187-C190 VanDerWaalsContact SG-CB 3.59Å; C187-C190 PolarHBondContact SG-N 3.02Å; C187-C190 VanDerWaalsContact SG-N 3.38Å; C190-V192 VanDerWaalsContact C-N 3.29Å; C190-V192 HydrophobicContact CB-CB 4.49Å; C190-V192 HydrophobicContact CB-CG2 4.49Å; C190-V192 WeakPolarHBondContact O-CG2 3.32Å; C190-V192 PolarHBondContact O-N 3.28Å; C190-H212 PolarHBondContact SG-CE1 3.29Å; C190-H212 PolarHBondContact SG-ND1 3.23Å
191D81.1Confident84.8Confident72 Ų7254.8 Ų54.839%0.38527%0.27SS..THydrogen-bonded Turntrans50.144.8-172-162.127.8000113.8C187 R224C187-D191 VanDerWaalsContact O-CA 3.26Å; C187-D191 WeakPolarHBondContact O-CA 3.48Å; C187-D191 PolarHBondContact O-N 2.99Å; D191-R224 VanDerWaalsContact CG-CZ 3.43Å; D191-R224 PolarHBondContact O-NH2 3.47Å; D191-R224 IonicContact OD1-CZ 2.76Å; D191-R224 IonicContact OD1-NE 3.19Å; D191-R224 PolarHBondContact OD1-NE 3.31Å; D191-R224 IonicContact OD1-NH2 2.84Å; D191-R224 PolarHBondContact OD1-NH2 3.38Å; D191-R224 IonicContact OD2-CZ 3.29Å; D191-R224 IonicContact OD2-NE 3.41Å; D191-R224 PolarHBondContact OD2-NE 2.86Å; D191-R224 IonicContact OD2-NH1 2.87Å; D191-R224 IonicContact OD2-NH2 3.88Å; D191-R224 PolarHBondContact OD2-NH2 2.8Å
192V82.6Confident84.8Confident30 Ų3051.5 Ų51.518%0.18226%0.262CS..EExtended strand (participates in β ladder)trans-128.5138.8-177.6172.70000110.8Q174 L175 M186 C187 C190 Y194Q174-V192 HydrophobicContact CB-CG1 4.24Å; L175-V192 HydrophobicContact CG-CG1 4.25Å; M186-V192 WeakPolarHBondContact CA-O 3.45Å; C187-V192 PolarHBondContact N-O 3.08Å; C190-V192 VanDerWaalsContact C-N 3.29Å; C190-V192 HydrophobicContact CB-CB 4.49Å; C190-V192 HydrophobicContact CB-CG2 4.49Å; C190-V192 WeakPolarHBondContact O-CG2 3.32Å; C190-V192 PolarHBondContact O-N 3.28Å; V192-Y194 HydrophobicContact CB-CD2 4.46Å; V192-Y194 HydrophobicContact CB-CE1 4.45Å; V192-Y194 HydrophobicContact CB-CE2 3.65Å; V192-Y194 HydrophobicContact CG1-CD1 4.21Å; V192-Y194 HydrophobicContact CG1-CD2 4.15Å; V192-Y194 HydrophobicContact CG1-CE1 3.74Å; V192-Y194 HydrophobicContact CG1-CE2 3.64Å; V192-Y194 HydrophobicContact CG1-CG 4.4Å; V192-Y194 VanDerWaalsContact CG1-CZ 3.41Å; V192-Y194 VanDerWaalsContact O-CD2 3.24Å; V192-Y194 WeakPolarHBondContact O-CD2 3.36Å; V192-Y194 WeakPolarHBondContact O-CE2 3.28Å
193F86.4Confident84.9Confident14 Ų1445.7 Ų45.76%0.06124%0.235CC..EExtended strand (participates in β ladder)trans-91.4126.8173.5-67.9-87.5000110.9L171 C173 Q174 A183 M186 P217L171-F193 HydrophobicContact CD1-CD1 4.46Å; L171-F193 HydrophobicContact CD1-CE1 3.87Å; L171-F193 HydrophobicContact CD1-CZ 4.39Å; C173-F193 WeakPolarHBondContact CA-O 3.27Å; Q174-F193 HydrophobicContact CG-CB 4.46Å; Q174-F193 PolarHBondContact N-O 2.82Å; Q174-F193 VanDerWaalsContact OE1-N 3.09Å; A183-F193 HydrophobicContact CB-CB 3.77Å; A183-F193 HydrophobicContact CB-CD1 4.26Å; A183-F193 HydrophobicContact CB-CG 4.45Å; M186-F193 HydrophobicContact CB-CD1 3.69Å; M186-F193 HydrophobicContact CB-CE1 3.69Å; M186-F193 HydrophobicContact CB-CG 4.38Å; M186-F193 HydrophobicContact CB-CZ 4.39Å; M186-F193 HydrophobicContact CG-CD1 3.81Å; M186-F193 HydrophobicContact CG-CD2 4.29Å; M186-F193 HydrophobicContact CG-CE1 3.7Å; M186-F193 HydrophobicContact CG-CE2 4.19Å; M186-F193 HydrophobicContact CG-CG 4.12Å; M186-F193 HydrophobicContact CG-CZ 3.9Å; M186-F193 HydrophobicContact SD-CD1 4.33Å; M186-F193 HydrophobicContact SD-CE1 3.61Å; M186-F193 HydrophobicContact SD-CE2 3.86Å; M186-F193 HydrophobicContact SD-CZ 3.34Å; M186-F193 WeakPolarHBondContact SD-CZ 3.49Å; F193-P217 HydrophobicContact CD1-CB 3.97Å; F193-P217 HydrophobicContact CE1-CB 3.94Å
194Y86.1Confident84.7Confident13 Ų1347 Ų475%0.05124%0.243CC..EExtended strand (participates in β ladder)trans-119.1139.2-178.2-55.6-94000110.4L175 A183 T184 V185 C187 V192 C198 R199 H203L175-Y194 HydrophobicContact CD1-CD1 3.95Å; L175-Y194 HydrophobicContact CD1-CE1 3.42Å; L175-Y194 VanDerWaalsContact CD1-CE1 3.42Å; L175-Y194 HydrophobicContact CG-CD1 4.46Å; L175-Y194 HydrophobicContact CG-CE1 4.21Å; A183-Y194 CarbonylContact C-O 3.56Å; A183-Y194 WeakPolarHBondContact CA-O 3.45Å; T184-Y194 PolarHBondContact N-O 2.96Å; T184-Y194 PolarHBondContact OG1-O 3.46Å; V185-Y194 PolarHBondContact N-O 3.01Å; V185-Y194 PolarHBondContact O-N 3.36Å; C187-Y194 HydrophobicContact CB-CD2 4.44Å; C187-Y194 HydrophobicContact CB-CE2 3.7Å; V192-Y194 HydrophobicContact CB-CD2 4.46Å; V192-Y194 HydrophobicContact CB-CE1 4.45Å; V192-Y194 HydrophobicContact CB-CE2 3.65Å; V192-Y194 HydrophobicContact CG1-CD1 4.21Å; V192-Y194 HydrophobicContact CG1-CD2 4.15Å; V192-Y194 HydrophobicContact CG1-CE1 3.74Å; V192-Y194 HydrophobicContact CG1-CE2 3.64Å; V192-Y194 HydrophobicContact CG1-CG 4.4Å; V192-Y194 VanDerWaalsContact CG1-CZ 3.41Å; V192-Y194 VanDerWaalsContact O-CD2 3.24Å; V192-Y194 WeakPolarHBondContact O-CD2 3.36Å; V192-Y194 WeakPolarHBondContact O-CE2 3.28Å; Y194-C198 HydrophobicContact CD1-CB 4.45Å; Y194-R199 HydrophobicContact CG-CB 4.36Å; Y194-H203 HydrophobicContact CE1-CB 4.12Å
195C89.8Confident84.5Confident4 Ų449.4 Ų49.43%0.02726%0.26CS..  trans-78157.8153.565.40000108.7C173 K181 E182 P197 C198 R199C173-C195 HydrophobicContact CB-CB 3.7Å; C173-C195 VanDerWaalsContact CB-N 3.32Å; C173-C195 PolarHBondContact SG-N 3.46Å; C173-C195 PolarHBondContact SG-SG 3.35Å; K181-C195 HydrophobicContact CB-CB 4.04Å; E182-C195 VanDerWaalsContact O-CB 3.31Å; E182-C195 WeakPolarHBondContact O-CB 3.41Å; C195-P197 VanDerWaalsContact C-CD 3.48Å; C195-P197 VanDerWaalsContact C-N 3.34Å; C195-C198 PolarHBondContact O-N 2.97Å; C195-C198 VanDerWaalsContact SG-SG 3.61Å; C195-R199 PolarHBondContact O-N 3.02Å
196D86.6Confident84.2Confident68 Ų6857.9 Ų57.936%0.36429%0.289SS..Hα-helixtrans-52.7-41.5-176-69.3-38.4000114.6T184 C198 R199 L200T184-D196 WeakPolarHBondContact CG2-OD2 3.39Å; T184-D196 PolarHBondContact OG1-N 3.39Å; T184-D196 PolarHBondContact OG1-OD1 3.37Å; D196-C198 PolarHBondContact O-N 3.1Å; D196-R199 WeakPolarHBondContact O-CB 3.45Å; D196-R199 PolarHBondContact O-N 3.15Å; D196-R199 IonicContact OD1-CZ 3.77Å; D196-R199 IonicContact OD1-NH1 2.89Å; D196-R199 PolarHBondContact OD1-NH1 2.77Å; D196-L200 WeakPolarHBondContact O-CG 3.46Å; D196-L200 PolarHBondContact O-N 3.19Å; D196-L200 VanDerWaalsContact O-N 3.07Å
197P87Confident83.9Confident66 Ų6660.2 Ų60.243%0.42932%0.315SS..Hα-helixtrans-62.5-42.3176.4-24.433.9000114C195 R201C195-P197 VanDerWaalsContact C-CD 3.48Å; C195-P197 VanDerWaalsContact C-N 3.34Å; P197-R201 WeakPolarHBondContact O-CG 3.29Å; P197-R201 PolarHBondContact O-N 2.96Å; P197-R201 VanDerWaalsContact O-N 3.14Å
198C88.1Confident83.7Confident4 Ų466.1 Ų66.13%0.02735%0.353CS..Hα-helixtrans-73.9-32.4179.6-710000111.6C173 L175 Y194 C195 D196 R201 C202C173-C198 VanDerWaalsContact SG-CB 3.59Å; L175-C198 HydrophobicContact CB-CB 4.13Å; L175-C198 PolarHBondContact O-SG 3.43Å; Y194-C198 HydrophobicContact CD1-CB 4.45Å; C195-C198 PolarHBondContact O-N 2.97Å; C195-C198 VanDerWaalsContact SG-SG 3.61Å; D196-C198 PolarHBondContact O-N 3.1Å; C198-R201 PolarHBondContact O-N 3.13Å; C198-C202 WeakPolarHBondContact O-CB 3.46Å; C198-C202 PolarHBondContact O-N 3.48Å
199R87.4Confident83.6Confident71 Ų7166 Ų6627%0.26835%0.354SS..Hα-helixtrans-58-53.5170.7-174.4-173.583.2-167.21.7109.8V185 Y194 C195 D196 R201 C202 H203V185-R199 HydrophobicContact CG2-CB 4.46Å; V185-R199 VanDerWaalsContact CG2-CD 3.48Å; V185-R199 HydrophobicContact CG2-CG 4.16Å; Y194-R199 HydrophobicContact CG-CB 4.36Å; C195-R199 PolarHBondContact O-N 3.02Å; D196-R199 WeakPolarHBondContact O-CB 3.45Å; D196-R199 PolarHBondContact O-N 3.15Å; D196-R199 IonicContact OD1-CZ 3.77Å; D196-R199 IonicContact OD1-NH1 2.89Å; D196-R199 PolarHBondContact OD1-NH1 2.77Å; R199-R201 VanDerWaalsContact C-N 3.31Å; R199-R201 PolarHBondContact O-N 3.21Å; R199-C202 PolarHBondContact O-N 2.94Å; R199-H203 HydrophobicContact CG-CB 4.42Å; R199-H203 CarbonylContact O-C 2.93Å; R199-H203 WeakPolarHBondContact O-CA 3.15Å; R199-H203 WeakPolarHBondContact O-CB 3.26Å; R199-H203 PolarHBondContact O-N 2.9Å
200L83.1Confident83.5Confident102 Ų10264 Ų6453%0.53435%0.354SS..Hα-helixtrans-64.9-34.5-176.9-69.1170.5000113.3D196D196-L200 WeakPolarHBondContact O-CG 3.46Å; D196-L200 PolarHBondContact O-N 3.19Å; D196-L200 VanDerWaalsContact O-N 3.07Å
201R84.3Confident83.4Confident164 Ų16471.2 Ų71.262%0.61938%0.38SS*.Hα-helixtrans-73.7-44.1178.5-80.5174.656-160.1-5113.4E177 P197 C198 R199E177-R201 IonicContact OE1-NH2 2.77Å; E177-R201 PolarHBondContact OE1-NH2 3.03Å; P197-R201 WeakPolarHBondContact O-CG 3.29Å; P197-R201 PolarHBondContact O-N 2.96Å; P197-R201 VanDerWaalsContact O-N 3.14Å; C198-R201 PolarHBondContact O-N 3.13Å; R199-R201 VanDerWaalsContact C-N 3.31Å; R199-R201 PolarHBondContact O-N 3.21Å
202C81.4Confident83.6Confident58 Ų5870.3 Ų70.339%0.39237%0.374SS..Hα-helixtrans-113.3-14-166.3-56.60000113.4L175 C198 R199L175-C202 HydrophobicContact CD1-CB 3.64Å; C198-C202 WeakPolarHBondContact O-CB 3.46Å; C198-C202 PolarHBondContact O-N 3.48Å; R199-C202 PolarHBondContact O-N 2.94Å
203H86.8Confident83.7Confident6 Ų675.8 Ų75.83%0.02839%0.391CS..SBendtrans-137.861.5177.7-161.5-72.7000110.3C187 Y194 R199 L209 H212C187-H203 PolarHBondContact SG-NE2 3.41Å; Y194-H203 HydrophobicContact CE1-CB 4.12Å; R199-H203 HydrophobicContact CG-CB 4.42Å; R199-H203 CarbonylContact O-C 2.93Å; R199-H203 WeakPolarHBondContact O-CA 3.15Å; R199-H203 WeakPolarHBondContact O-CB 3.26Å; R199-H203 PolarHBondContact O-N 2.9Å; H203-L209 PolarHBondContact CE1-O 2.76Å; H203-H212 AromaticContact NE2-CG 3.78Å; H203-H212 AromaticContact NE2-ND1 3.45Å; H203-H212 PolarHBondContact NE2-ND1 3.18Å
204P79.4Confident83.8Confident35 Ų3578.3 Ų78.323%0.22741%0.405CS..  trans-69.8149.2-179.231.4-36000110.3R206P204-R206 HydrophobicContact CB-CG 4.11Å; P204-R206 HydrophobicContact CG-CG 4.37Å; P204-R206 PolarHBondContact O-N 3.44Å
205P79.1Confident83.7Confident108 Ų10878 Ų7870%0.70141%0.405SS*.SBendtrans-76.937-177.634.2-37.6000112.7
206R80.3Confident83.3Confident198 Ų19881.1 Ų81.175%0.74743%0.425SS*.SBendtrans-143.2154.5-17961-179.7179.1175.80.1110.3P204P204-R206 HydrophobicContact CB-CG 4.11Å; P204-R206 HydrophobicContact CG-CG 4.37Å; P204-R206 PolarHBondContact O-N 3.44Å
207G80.4Confident82.8Confident54 Ų5478.8 Ų78.856%0.55741%0.413SS*.G310 helixtrans74.1-157-176.200000112.7L209 A210G207-L209 PolarHBondContact O-N 2.85Å; G207-L209 VanDerWaalsContact O-N 3.15Å; G207-A210 WeakPolarHBondContact O-CB 3.28Å; G207-A210 PolarHBondContact O-N 2.81Å
208P78.6Confident81.9Confident123 Ų12378.9 Ų78.980%0.79942%0.42SS*.G310 helixtrans-59.4-30-171.2-24.433.7000114.5A210P208-A210 VanDerWaalsContact C-N 3.32Å; P208-A210 PolarHBondContact O-N 2.86Å
209L82.1Confident81Confident54 Ų5484.1 Ų84.128%0.28344%0.444SS..G310 helixtrans-80.2-10.1-176-60.4177.6000113.7H203 G207 K211 H212H203-L209 PolarHBondContact CE1-O 2.76Å; G207-L209 PolarHBondContact O-N 2.85Å; G207-L209 VanDerWaalsContact O-N 3.15Å; L209-K211 PolarHBondContact O-N 2.81Å; L209-H212 WeakPolarHBondContact CD2-CE1 3.25Å; L209-H212 WeakPolarHBondContact O-CB 3.29Å; L209-H212 PolarHBondContact O-N 3.02Å
210A80.6Confident79.8Confident56 Ų5680.8 Ų80.846%0.46343%0.431SS..G310 helixtrans-64.8-21.5-179.400000113.3G207 P208 H212G207-A210 WeakPolarHBondContact O-CB 3.28Å; G207-A210 PolarHBondContact O-N 2.81Å; P208-A210 VanDerWaalsContact C-N 3.32Å; P208-A210 PolarHBondContact O-N 2.86Å; A210-H212 VanDerWaalsContact C-N 3.29Å
211K79.4Confident78.8Confident195 Ų19578.9 Ų78.985%0.84842%0.417SS*.G310 helixtrans-82.8-4.2176.4-64.4-175.3179.8-178.70113.4L209L209-K211 PolarHBondContact O-N 2.81Å
212H86.6Confident77.6Confident53 Ų5376.3 Ų76.325%0.24541%0.414CS..SBendtrans-79.3138.9-179.8-66.4-160.2000110.6C187 Q189 C190 H203 L209 A210C187-H212 VanDerWaalsContact SG-CB 3.54Å; C187-H212 PolarHBondContact SG-ND1 2.9Å; Q189-H212 HydrophobicContact CB-CB 4.29Å; Q189-H212 HydrophobicContact CG-CB 4.47Å; C190-H212 PolarHBondContact SG-CE1 3.29Å; C190-H212 PolarHBondContact SG-ND1 3.23Å; H203-H212 AromaticContact NE2-CG 3.78Å; H203-H212 AromaticContact NE2-ND1 3.45Å; H203-H212 PolarHBondContact NE2-ND1 3.18Å; L209-H212 WeakPolarHBondContact CD2-CE1 3.25Å; L209-H212 WeakPolarHBondContact O-CB 3.29Å; L209-H212 PolarHBondContact O-N 3.02Å; A210-H212 VanDerWaalsContact C-N 3.29Å
213R85.3Confident76.4Confident146 Ų14677 Ų7755%0.55142%0.42SS*.PPolyproline II helixtrans-86.8117.4179-173.7164.7174.4-111.35.7109.5E188 Q189 V215E188-R213 VanDerWaalsContact CD-NH1 3.26Å; E188-R213 PolarHBondContact N-O 2.95Å; E188-R213 IonicContact OE1-NH1 3.99Å; E188-R213 PolarHBondContact OE1-NH1 3.23Å; E188-R213 WeakPolarHBondContact OE2-CB 3.43Å; E188-R213 WeakPolarHBondContact OE2-CD 3.26Å; E188-R213 VanDerWaalsContact OE2-CG 3.27Å; E188-R213 WeakPolarHBondContact OE2-CG 3.47Å; E188-R213 IonicContact OE2-CZ 3.71Å; E188-R213 IonicContact OE2-NE 3.41Å; E188-R213 IonicContact OE2-NH1 3.28Å; E188-R213 PolarHBondContact OE2-NH1 3.28Å; Q189-R213 VanDerWaalsContact CD-N 3.31Å; Q189-R213 PolarHBondContact OE1-O 3.36Å; R213-V215 HydrophobicContact CG-CG1 4.21Å
214L87.1Confident75Confident67 Ų6782.1 Ų82.135%0.35144%0.439SS..EExtended strand (participates in β ladder)trans-96.2125.4174.4-65.4165.1000108.8V185 M186 C187V185-L214 HydrophobicContact CB-CB 4.5Å; V185-L214 HydrophobicContact CG2-CD2 4.11Å; M186-L214 CarbonylContact O-C 3.55Å; M186-L214 WeakPolarHBondContact O-CA 3.28Å; C187-L214 HydrophobicContact CB-CD2 3.63Å
215V84.3Confident73.9Confident6 Ų687.5 Ų87.54%0.03646%0.455CS..EExtended strand (participates in β ladder)trans-119154.4179.3-640000110.9M186 E188 R213 Q219M186-V215 HydrophobicContact CB-CG2 4.29Å; M186-V215 HydrophobicContact CE-CG2 3.95Å; M186-V215 PolarHBondContact N-O 3.16Å; M186-V215 PolarHBondContact O-N 3.5Å; E188-V215 HydrophobicContact CG-CG1 3.95Å; E188-V215 HydrophobicContact CG-CG2 3.78Å; R213-V215 HydrophobicContact CG-CG1 4.21Å; V215-Q219 HydrophobicContact CB-CB 4.48Å
216P81.3Confident72.3Confident70 Ų7086.3 Ų86.346%0.45545%0.454SS..  trans-54.1141.4170.7-25.634.1000111.3A218 Q219 G220P216-A218 PolarHBondContact O-N 3.02Å; P216-A218 VanDerWaalsContact O-N 3.11Å; P216-Q219 PolarHBondContact O-N 2.94Å; P216-G220 PolarHBondContact O-N 3.11Å
217P76.4Confident70.6Confident18 Ų1880.5 Ų80.512%0.11744%0.444CS..Hα-helixtrans-55.5-34.3-175.8-27.534.3000113.6L171 A183 T184 F193 R221L171-P217 HydrophobicContact CB-CB 4.33Å; L171-P217 HydrophobicContact CD1-CB 3.53Å; L171-P217 WeakPolarHBondContact CD1-O 3.27Å; A183-P217 HydrophobicContact CB-CG 4.26Å; A183-P217 WeakPolarHBondContact O-CG 3.39Å; T184-P217 WeakPolarHBondContact O-CD 2.88Å; F193-P217 HydrophobicContact CD1-CB 3.97Å; F193-P217 HydrophobicContact CE1-CB 3.94Å; P217-R221 VanDerWaalsContact O-CB 3.31Å; P217-R221 WeakPolarHBondContact O-CB 3.31Å; P217-R221 PolarHBondContact O-N 2.74Å
218A67.9Low68.8Low69 Ų6983.2 Ų83.257%0.5745%0.452SS*.Hα-helixtrans-66.1-38175.500000113.1P216 R221 I222P216-A218 PolarHBondContact O-N 3.02Å; P216-A218 VanDerWaalsContact O-N 3.11Å; A218-R221 WeakPolarHBondContact O-CB 3.4Å; A218-I222 WeakPolarHBondContact O-CG1 3.41Å; A218-I222 PolarHBondContact O-N 2.76Å
219Q68.8Low67.4Low114 Ų11488.7 Ų88.753%0.53346%0.456SS..Hα-helixtrans-74.5-41.6174.7-94179.8-13.400111.7V215 P216 R221 I222 S223V215-Q219 HydrophobicContact CB-CB 4.48Å; P216-Q219 PolarHBondContact O-N 2.94Å; Q219-R221 PolarHBondContact O-N 3Å; Q219-I222 WeakPolarHBondContact O-CB 3.41Å; Q219-I222 PolarHBondContact O-N 3.3Å; Q219-S223 PolarHBondContact O-N 3.2Å
220G62.5Low66.2Low0 Ų095.1 Ų95.10%048%0.482CS..Hα-helixtrans-58-36.1172.800000113M186 P216 I222 S223 R224M186-G220 VanDerWaalsContact SD-CA 3.56Å; P216-G220 PolarHBondContact O-N 3.11Å; G220-I222 VanDerWaalsContact C-N 3.3Å; G220-I222 PolarHBondContact O-N 2.87Å; G220-S223 PolarHBondContact O-N 2.86Å; G220-R224 PolarHBondContact O-N 3.4Å
221R61.7Low65.3Low62 Ų6297.5 Ų97.523%0.23449%0.486CS..Hα-helixtrans-63.7-30.9172.8-166-179.4-172175.1-1.4112.9Q165 L171 P217 A218 Q219 R225Q165-R221 PolarHBondContact O-NH2 2.86Å; Q165-R221 VanDerWaalsContact O-NH2 3.12Å; L171-R221 HydrophobicContact CD1-CB 4.37Å; P217-R221 VanDerWaalsContact O-CB 3.31Å; P217-R221 WeakPolarHBondContact O-CB 3.31Å; P217-R221 PolarHBondContact O-N 2.74Å; A218-R221 WeakPolarHBondContact O-CB 3.4Å; Q219-R221 PolarHBondContact O-N 3Å; R221-R225 WeakPolarHBondContact O-CB 3.48Å; R221-R225 WeakPolarHBondContact O-CD 3.49Å; R221-R225 WeakPolarHBondContact O-CG 3.41Å; R221-R225 PolarHBondContact O-N 2.79Å
222I59.4Low64.8Low110 Ų11092.1 Ų92.156%0.56447%0.473SS*.Hα-helixtrans-78-41.2176.6-62.3165000110.5A218 Q219 G220 R224 R225 A226A218-I222 WeakPolarHBondContact O-CG1 3.41Å; A218-I222 PolarHBondContact O-N 2.76Å; Q219-I222 WeakPolarHBondContact O-CB 3.41Å; Q219-I222 PolarHBondContact O-N 3.3Å; G220-I222 VanDerWaalsContact C-N 3.3Å; G220-I222 PolarHBondContact O-N 2.87Å; I222-R224 VanDerWaalsContact C-N 3.34Å; I222-R224 PolarHBondContact O-N 2.61Å; I222-R225 WeakPolarHBondContact O-CA 3.23Å; I222-R225 WeakPolarHBondContact O-CB 3.34Å; I222-R225 PolarHBondContact O-N 2.68Å; I222-A226 PolarHBondContact O-N 2.71Å
223S56.4Low64.4Low73 Ų7392.3 Ų92.351%0.5148%0.478SS..Hα-helixtrans-60.6-39.5173.8-76.20000112.3Q219 G220 R225 A226Q219-S223 PolarHBondContact O-N 3.2Å; G220-S223 PolarHBondContact O-N 2.86Å; S223-R225 VanDerWaalsContact C-N 3.29Å; S223-R225 PolarHBondContact O-N 3.26Å; S223-A226 PolarHBondContact O-N 2.85Å
224R58.7Low64.1Low114 Ų11485.7 Ų85.743%0.4345%0.454SS..Hα-helixtrans-66.3-26.4170.4-78.8-161.2-174.2-163.25.4114D191 G220 I222D191-R224 VanDerWaalsContact CG-CZ 3.43Å; D191-R224 PolarHBondContact O-NH2 3.47Å; D191-R224 IonicContact OD1-CZ 2.76Å; D191-R224 IonicContact OD1-NE 3.19Å; D191-R224 PolarHBondContact OD1-NE 3.31Å; D191-R224 IonicContact OD1-NH2 2.84Å; D191-R224 PolarHBondContact OD1-NH2 3.38Å; D191-R224 IonicContact OD2-CZ 3.29Å; D191-R224 IonicContact OD2-NE 3.41Å; D191-R224 PolarHBondContact OD2-NE 2.86Å; D191-R224 IonicContact OD2-NH1 2.87Å; D191-R224 IonicContact OD2-NH2 3.88Å; D191-R224 PolarHBondContact OD2-NH2 2.8Å; G220-R224 PolarHBondContact O-N 3.4Å; I222-R224 VanDerWaalsContact C-N 3.34Å; I222-R224 PolarHBondContact O-N 2.61Å
225R54.8Low63.5Low147 Ų14788.4 Ų88.456%0.55547%0.473SS*.Hα-helixtrans-79.1-17.4-179.8-82171175-172.6-2.4113.2R221 I222 S223 S227R221-R225 WeakPolarHBondContact O-CB 3.48Å; R221-R225 WeakPolarHBondContact O-CD 3.49Å; R221-R225 WeakPolarHBondContact O-CG 3.41Å; R221-R225 PolarHBondContact O-N 2.79Å; I222-R225 WeakPolarHBondContact O-CA 3.23Å; I222-R225 WeakPolarHBondContact O-CB 3.34Å; I222-R225 PolarHBondContact O-N 2.68Å; S223-R225 VanDerWaalsContact C-N 3.29Å; S223-R225 PolarHBondContact O-N 3.26Å; R225-S227 PolarHBondContact O-N 3.16Å
226A45.7Very low63Low83 Ų8393.8 Ų93.869%0.68650%0.498SS*.  trans-79.448170.500000111.6I222 S223I222-A226 PolarHBondContact O-N 2.71Å; S223-A226 PolarHBondContact O-N 2.85Å
227S44.7Very low62.9Low76 Ų7692.5 Ų92.553%0.53149%0.486SS..  trans-69.1133159.4-170.60000107R225 R229R225-S227 PolarHBondContact O-N 3.16Å; S227-R229 PolarHBondContact O-N 2.94Å; S227-R229 VanDerWaalsContact O-N 3.13Å
228P42.2Very low62.9Low111 Ų11199.1 Ų99.172%0.72152%0.515SS*.  trans-53.112717521-29.9000107.7K230P228-K230 PolarHBondContact O-N 3.07Å
229R50.9Low63.4Low238 Ų238103.8 Ų103.890%0.89853%0.53SS*.  trans-47.2108-177.8-70-179.8-174.2-177.63.2107.9S227 I231S227-R229 PolarHBondContact O-N 2.94Å; S227-R229 VanDerWaalsContact O-N 3.13Å; R229-I231 PolarHBondContact O-N 2.92Å
230K55.7Low64Low189 Ų189101.2 Ų101.282%0.82252%0.518SS*.  trans-59.7108.6172.9-76.6-173177.9-175.10106.4P228 S232P228-K230 PolarHBondContact O-N 3.07Å; K230-S232 PolarHBondContact O-N 3.12Å
231I61.1Low65.1Low107 Ų107104.5 Ų104.555%0.54954%0.535SS..PPolyproline II helixtrans-60.6130.2173.9-59.4168.8000105.6R229 T233 N241R229-I231 PolarHBondContact O-N 2.92Å; I231-T233 PolarHBondContact O-N 2.83Å; I231-N241 HydrophobicContact CG2-CB 3.64Å; I231-N241 VanDerWaalsContact CG2-CG 3.43Å; I231-N241 VanDerWaalsContact CG2-OD1 3.3Å; I231-N241 WeakPolarHBondContact CG2-OD1 3.23Å
232S70Confident66.2Low81 Ų81103.1 Ų103.157%0.56653%0.532SS*.PPolyproline II helixtrans-67.6119.9-179.2-640000108.4K230 L242K230-S232 PolarHBondContact O-N 3.12Å; S232-L242 WeakPolarHBondContact O-CB 3.45Å; S232-L242 WeakPolarHBondContact O-CG 3.41Å; S232-L242 PolarHBondContact O-N 3.46Å
233T78Confident67.5Low57 Ų57100.8 Ų100.835%0.3553%0.526SS..BIsolated β-bridgetrans-86.8155.5176.954.60000111I231 E238 E240I231-T233 PolarHBondContact O-N 2.83Å; T233-E238 WeakPolarHBondContact CB-O 3.25Å; T233-E238 WeakPolarHBondContact CG2-O 3.33Å; T233-E238 PolarHBondContact OG1-O 3.46Å; T233-E240 CarbonylContact C-O 3.53Å; T233-E240 WeakPolarHBondContact CA-O 3.22Å; T233-E240 WeakPolarHBondContact CB-O 3.4Å
234C78.7Confident69Low8 Ų898.8 Ų98.85%0.05451%0.509CS..PPolyproline II helixtrans-66.6144.9-179.6-177.20000111.2E236 H237 E238 E240 L242 C254 C257C234-E236 VanDerWaalsContact C-N 3.32Å; C234-H237 HydrophobicContact CB-CB 4.08Å; C234-H237 WeakPolarHBondContact CB-O 3.17Å; C234-H237 CarbonylContact O-C 3.53Å; C234-E238 WeakPolarHBondContact O-CA 3.25Å; C234-E238 PolarHBondContact O-N 2.91Å; C234-E240 PolarHBondContact N-O 3.4Å; C234-L242 HydrophobicContact CB-CD2 3.92Å; C234-C254 HydrophobicContact CB-CB 3.91Å; C234-C254 VanDerWaalsContact CB-SG 3.6Å; C234-C257 PolarHBondContact SG-SG 2.76Å
235T74.5Confident70.5Confident123 Ų12394.7 Ų94.776%0.75549%0.494SS*.SBendtrans-73.8-23.1179.549.80000113.6
236E73.5Confident72.2Confident120 Ų12087.7 Ų87.756%0.56147%0.467SS*.SBendtrans-96.8-28.9176.1-62.1-174.1154.300111.3C234C234-E236 VanDerWaalsContact C-N 3.32Å
237H79.7Confident74.3Confident43 Ų4386 Ų8620%0.19945%0.448CS..  trans-124.581.8-178.8-52.6105.6000109.7C234 L239 E240 Q256 C257C234-H237 HydrophobicContact CB-CB 4.08Å; C234-H237 WeakPolarHBondContact CB-O 3.17Å; C234-H237 CarbonylContact O-C 3.53Å; H237-L239 PolarHBondContact O-N 2.95Å; H237-L239 VanDerWaalsContact O-N 3.08Å; H237-E240 HydrophobicContact CB-CB 3.95Å; H237-E240 HydrophobicContact CB-CG 4.1Å; H237-E240 PolarHBondContact O-N 3.44Å; H237-Q256 HydrophobicContact CB-CB 4.46Å; H237-Q256 PolarHBondContact CD2-OE1 3.06Å; H237-C257 VanDerWaalsContact CE1-SG 3.51Å; H237-C257 PolarHBondContact ND1-SG 2.83Å
238E75.7Confident76.3Confident157 Ų15786.9 Ų86.973%0.73444%0.444SS*.THydrogen-bonded Turntrans-62.2-21.7-168.2-62.7-171.916200114.6T233 C234T233-E238 WeakPolarHBondContact CB-O 3.25Å; T233-E238 WeakPolarHBondContact CG2-O 3.33Å; T233-E238 PolarHBondContact OG1-O 3.46Å; C234-E238 WeakPolarHBondContact O-CA 3.25Å; C234-E238 PolarHBondContact O-N 2.91Å
239L78.1Confident78.3Confident167 Ų16784 Ų8487%0.87443%0.425SS*.THydrogen-bonded Turntrans-87.1-13.1178-63173.6000113H237H237-L239 PolarHBondContact O-N 2.95Å; H237-L239 VanDerWaalsContact O-N 3.08Å
240E81.9Confident80Confident59 Ų5980.6 Ų80.628%0.27642%0.417SS..SBendtrans-100.2137.1-175.2-74-62148.800112.4T233 C234 H237 C254 Q256T233-E240 CarbonylContact C-O 3.53Å; T233-E240 WeakPolarHBondContact CA-O 3.22Å; T233-E240 WeakPolarHBondContact CB-O 3.4Å; C234-E240 PolarHBondContact N-O 3.4Å; H237-E240 HydrophobicContact CB-CB 3.95Å; H237-E240 HydrophobicContact CB-CG 4.1Å; H237-E240 PolarHBondContact O-N 3.44Å; E240-C254 HydrophobicContact CB-CB 3.75Å; E240-Q256 HydrophobicContact CG-CB 4.29Å; E240-Q256 HydrophobicContact CG-CG 3.77Å; E240-Q256 PolarHBondContact OE1-NE2 2.83Å; E240-Q256 VanDerWaalsContact OE1-NE2 3.11Å
241N85.2Confident81.4Confident70 Ų7075.5 Ų75.537%0.37440%0.397SS..BIsolated β-bridgetrans-82.5138.7178.1-71.5-38.2000111.2I231 S243 C254I231-N241 HydrophobicContact CG2-CB 3.64Å; I231-N241 VanDerWaalsContact CG2-CG 3.43Å; I231-N241 VanDerWaalsContact CG2-OD1 3.3Å; I231-N241 WeakPolarHBondContact CG2-OD1 3.23Å; N241-S243 PolarHBondContact O-N 3.24Å; N241-C254 WeakPolarHBondContact O-CB 3.47Å
242L85.1Confident82.6Confident33 Ų3373 Ų7317%0.17339%0.388CS..  trans-70112.5169.9-63.5172.6000109.3S232 C234 P252 C254 L271S232-L242 WeakPolarHBondContact O-CB 3.45Å; S232-L242 WeakPolarHBondContact O-CG 3.41Å; S232-L242 PolarHBondContact O-N 3.46Å; C234-L242 HydrophobicContact CB-CD2 3.92Å; L242-P252 HydrophobicContact CB-CB 4.35Å; L242-P252 HydrophobicContact CD1-CB 4.19Å; L242-P252 HydrophobicContact CD1-CG 4.12Å; L242-P252 HydrophobicContact CD2-CB 4.45Å; L242-C254 HydrophobicContact CD2-CB 4.37Å; L242-L271 HydrophobicContact CB-CD2 4.42Å; L242-L271 WeakPolarHBondContact O-CD2 3.07Å
243S86Confident83.4Confident61 Ų6169.3 Ų69.343%0.42736%0.362SS..  trans-123.8-16-174.160.40000113.5N241 V253 L271N241-S243 PolarHBondContact O-N 3.24Å; S243-V253 PolarHBondContact N-O 3.06Å; S243-L271 VanDerWaalsContact C-CB 3.5Å; S243-L271 WeakPolarHBondContact O-CB 3.49Å; S243-L271 PolarHBondContact O-N 3.32Å; S243-L271 VanDerWaalsContact O-N 3.11Å
244M88.9Confident84Confident30 Ų3066.6 Ų66.615%0.14835%0.345CS..EExtended strand (participates in β ladder)trans-127.2162.8-175.3-65.7178.2-70.600111.4P252 V253 Y255 L258 V268 K269M244-P252 CarbonylContact O-C 3.49Å; M244-P252 VanDerWaalsContact O-CA 3.31Å; M244-P252 WeakPolarHBondContact O-CA 3.39Å; M244-V253 HydrophobicContact CB-CG2 3.92Å; M244-V253 PolarHBondContact N-O 3.32Å; M244-V253 VanDerWaalsContact N-O 3.11Å; M244-V253 PolarHBondContact O-N 3.01Å; M244-Y255 HydrophobicContact CE-CD2 4.38Å; M244-L258 HydrophobicContact CE-CB 4.12Å; M244-L258 HydrophobicContact CE-CD2 3.73Å; M244-L258 HydrophobicContact SD-CD2 3.82Å; M244-V268 HydrophobicContact CB-CB 4.28Å; M244-V268 HydrophobicContact SD-CB 4.44Å; M244-V268 HydrophobicContact SD-CG2 3.97Å; M244-K269 CarbonylContact C-O 3.44Å; M244-K269 WeakPolarHBondContact CA-O 3.29Å
245Y90.5Very high84.2Confident29 Ų2971.8 Ų71.811%0.11437%0.365CS..EExtended strand (participates in β ladder)trans-124.7117.9175.9-176.5-93.1000109.4K250 V268 K269 L271 M274 H278Y245-K250 VanDerWaalsContact CZ-C 3.48Å; Y245-K250 WeakPolarHBondContact OH-CA 3.44Å; Y245-K250 WeakPolarHBondContact OH-CB 3.34Å; Y245-K250 PolarHBondContact OH-O 3.3Å; Y245-K250 VanDerWaalsContact OH-O 3.1Å; Y245-V268 CarbonylContact O-C 3.38Å; Y245-V268 VanDerWaalsContact O-CA 3.31Å; Y245-V268 WeakPolarHBondContact O-CA 3.42Å; Y245-K269 PolarHBondContact N-O 3.12Å; Y245-K269 PolarHBondContact O-N 3.22Å; Y245-L271 HydrophobicContact CD2-CD1 4.44Å; Y245-M274 HydrophobicContact CD1-CB 4.3Å; Y245-M274 HydrophobicContact CD1-CE 3.93Å; Y245-M274 HydrophobicContact CD1-CG 3.92Å; Y245-M274 HydrophobicContact CE1-CE 3.96Å; Y245-M274 HydrophobicContact CG-CB 4.13Å; Y245-M274 HydrophobicContact CG-CG 4.1Å; Y245-H278 AromaticContact CZ-CE1 3.64Å; Y245-H278 PolarHBondContact OH-CE1 3.13Å
246C90.6Very high84.7Confident0 Ų068.8 Ų68.80%034%0.342CS..EExtended strand (participates in β ladder)trans-78119.2174.9178.30000109.4C249 K250 M251 V253 H266 V268C246-C249 HydrophobicContact CB-CB 4.17Å; C246-C249 PolarHBondContact SG-N 3.13Å; C246-C249 VanDerWaalsContact SG-N 3.38Å; C246-K250 WeakPolarHBondContact O-CA 3.47Å; C246-K250 PolarHBondContact O-N 3.41Å; C246-M251 PolarHBondContact N-O 3.41Å; C246-M251 PolarHBondContact O-N 2.63Å; C246-V253 HydrophobicContact CB-CG1 3.92Å; C246-V253 HydrophobicContact CB-CG2 4.23Å; C246-H266 VanDerWaalsContact SG-CB 3.51Å; C246-V268 HydrophobicContact CB-CG1 4.3Å
247V88.4Confident85.2Confident47 Ų4763.3 Ų63.329%0.28532%0.317SS..THydrogen-bonded Turntrans-71.1-39.7-176.2-179.20000111E267 K269V247-E267 PolarHBondContact N-O 2.95Å; V247-K269 HydrophobicContact CG2-CD 3.96Å; V247-K269 HydrophobicContact CG2-CG 4.04Å
248Q88.6Confident85.4Confident95 Ų9563 Ų6344%0.44432%0.317SS..THydrogen-bonded Turntrans-68.3-43.4-179.2-69.377.8-0.200111.5H266 E267Q248-H266 HydrophobicContact CB-CB 4.44Å; Q248-E267 VanDerWaalsContact CD-N 3.3Å; Q248-E267 VanDerWaalsContact NE2-N 3.14Å; Q248-E267 PolarHBondContact OE1-O 2.81Å; Q248-E267 VanDerWaalsContact OE1-O 3.04Å
249C84Confident85.7Confident49 Ų4961.3 Ų61.333%0.33131%0.309SS..THydrogen-bonded Turntrans-89.9-4.9-177.9-55.30000113.4C246 M251 H263 H266C246-C249 HydrophobicContact CB-CB 4.17Å; C246-C249 PolarHBondContact SG-N 3.13Å; C246-C249 VanDerWaalsContact SG-N 3.38Å; C249-M251 HydrophobicContact CB-CG 3.85Å; C249-M251 HydrophobicContact CB-SD 4.14Å; C249-M251 PolarHBondContact O-N 3.12Å; C249-H263 PolarHBondContact SG-CE1 2.84Å; C249-H263 PolarHBondContact SG-ND1 3.37Å; C249-H266 VanDerWaalsContact SG-CE1 3.51Å; C249-H266 PolarHBondContact SG-ND1 2.88Å; C249-H266 VanDerWaalsContact SG-ND1 3.37Å
250K86.2Confident85.4Confident167 Ų16760.7 Ų60.773%0.72630%0.301SS*.THydrogen-bonded Turntrans52.235.4-179.8-60.5-173.5178.6-179.30114.7Y245 C246Y245-K250 VanDerWaalsContact CZ-C 3.48Å; Y245-K250 WeakPolarHBondContact OH-CA 3.44Å; Y245-K250 WeakPolarHBondContact OH-CB 3.34Å; Y245-K250 PolarHBondContact OH-O 3.3Å; Y245-K250 VanDerWaalsContact OH-O 3.1Å; C246-K250 WeakPolarHBondContact O-CA 3.47Å; C246-K250 PolarHBondContact O-N 3.41Å
251M84.2Confident84.9Confident83 Ų8359.3 Ų59.341%0.40930%0.303SS..EExtended strand (participates in β ladder)trans-140.1151.5-175.365.8-176.1-6900112.5C246 C249 V253C246-M251 PolarHBondContact N-O 3.41Å; C246-M251 PolarHBondContact O-N 2.63Å; C249-M251 HydrophobicContact CB-CG 3.85Å; C249-M251 HydrophobicContact CB-SD 4.14Å; C249-M251 PolarHBondContact O-N 3.12Å; M251-V253 HydrophobicContact CG-CG1 4.27Å
252P86.9Confident84.4Confident54 Ų5464 Ų6435%0.35132%0.32SS..EExtended strand (participates in β ladder)trans-67.9139.8171.930.2-34.7000110.5L242 M244 L271L242-P252 HydrophobicContact CB-CB 4.35Å; L242-P252 HydrophobicContact CD1-CB 4.19Å; L242-P252 HydrophobicContact CD1-CG 4.12Å; L242-P252 HydrophobicContact CD2-CB 4.45Å; M244-P252 CarbonylContact O-C 3.49Å; M244-P252 VanDerWaalsContact O-CA 3.31Å; M244-P252 WeakPolarHBondContact O-CA 3.39Å; P252-L271 HydrophobicContact CB-CD1 3.94Å
253V87.4Confident84.3Confident3 Ų363.4 Ų63.42%0.01832%0.316CS..EExtended strand (participates in β ladder)trans-131.8150.6-179.8-62.50000110.4S243 M244 C246 M251 C257 V268S243-V253 PolarHBondContact N-O 3.06Å; M244-V253 HydrophobicContact CB-CG2 3.92Å; M244-V253 PolarHBondContact N-O 3.32Å; M244-V253 VanDerWaalsContact N-O 3.11Å; M244-V253 PolarHBondContact O-N 3.01Å; C246-V253 HydrophobicContact CB-CG1 3.92Å; C246-V253 HydrophobicContact CB-CG2 4.23Å; M251-V253 HydrophobicContact CG-CG1 4.27Å; V253-C257 HydrophobicContact CB-CB 4.22Å; V253-V268 HydrophobicContact CG2-CG1 4Å
254C88.9Confident84Confident0 Ų062.9 Ų62.90%032%0.321CS..  trans-90.8176.2170.169.20000111.1C234 E240 N241 L242 C257 L258C234-C254 HydrophobicContact CB-CB 3.91Å; C234-C254 VanDerWaalsContact CB-SG 3.6Å; E240-C254 HydrophobicContact CB-CB 3.75Å; N241-C254 WeakPolarHBondContact O-CB 3.47Å; L242-C254 HydrophobicContact CD2-CB 4.37Å; C254-C257 PolarHBondContact O-N 2.77Å; C254-L258 PolarHBondContact O-N 3.28Å
255Y84.9Confident83.7Confident117 Ų11767.8 Ų67.846%0.45935%0.353SS..Hα-helixtrans-62.9-45.3179.3-178.6-101.6000112.9M244 C257 L258 E259M244-Y255 HydrophobicContact CE-CD2 4.38Å; Y255-C257 VanDerWaalsContact C-N 3.33Å; Y255-C257 PolarHBondContact O-N 2.81Å; Y255-L258 WeakPolarHBondContact O-CB 3.34Å; Y255-L258 PolarHBondContact O-N 3.44Å; Y255-E259 HydrophobicContact CE1-CB 4.45Å; Y255-E259 WeakPolarHBondContact CE1-OE2 3.49Å; Y255-E259 PolarHBondContact O-N 2.79Å; Y255-E259 PolarHBondContact OH-OE1 3.31Å; Y255-E259 PolarHBondContact OH-OE2 2.91Å
256Q84.4Confident83.7Confident60 Ų6069.2 Ų69.228%0.2836%0.361SS..Hα-helixtrans-62.5-34.9178.3-70.9177.82.600113.4H237 E240 L258 E259 E260 G261H237-Q256 HydrophobicContact CB-CB 4.46Å; H237-Q256 PolarHBondContact CD2-OE1 3.06Å; E240-Q256 HydrophobicContact CG-CB 4.29Å; E240-Q256 HydrophobicContact CG-CG 3.77Å; E240-Q256 PolarHBondContact OE1-NE2 2.83Å; E240-Q256 VanDerWaalsContact OE1-NE2 3.11Å; Q256-L258 PolarHBondContact O-N 3.47Å; Q256-E259 PolarHBondContact O-N 2.79Å; Q256-E260 PolarHBondContact O-N 3.41Å; Q256-G261 PolarHBondContact O-N 3.03Å
257C84.1Confident83.7Confident5 Ų573.9 Ų73.93%0.03438%0.382CS..Hα-helixtrans-64.7-27.3174.1-74.50000113.3C234 H237 V253 C254 Y255 G261 H263C234-C257 PolarHBondContact SG-SG 2.76Å; H237-C257 VanDerWaalsContact CE1-SG 3.51Å; H237-C257 PolarHBondContact ND1-SG 2.83Å; V253-C257 HydrophobicContact CB-CB 4.22Å; C254-C257 PolarHBondContact O-N 2.77Å; Y255-C257 VanDerWaalsContact C-N 3.33Å; Y255-C257 PolarHBondContact O-N 2.81Å; C257-G261 CarbonylContact O-C 3.49Å; C257-G261 WeakPolarHBondContact O-CA 3.41Å; C257-G261 PolarHBondContact O-N 3.13Å; C257-H263 WeakPolarHBondContact O-CB 3.37Å; C257-H263 PolarHBondContact O-N 2.96Å
258L83.7Confident83.8Confident37 Ų3773.7 Ų73.719%0.19438%0.381CS..Hα-helixtrans-81.3-45176.5-179.965.1000110.7M244 C254 Y255 Q256 H263 G264 V268M244-L258 HydrophobicContact CE-CB 4.12Å; M244-L258 HydrophobicContact CE-CD2 3.73Å; M244-L258 HydrophobicContact SD-CD2 3.82Å; C254-L258 PolarHBondContact O-N 3.28Å; Y255-L258 WeakPolarHBondContact O-CB 3.34Å; Y255-L258 PolarHBondContact O-N 3.44Å; Q256-L258 PolarHBondContact O-N 3.47Å; L258-H263 VanDerWaalsContact CD1-O 3.26Å; L258-H263 WeakPolarHBondContact CD1-O 3.38Å; L258-G264 WeakPolarHBondContact O-CA 3.48Å; L258-G264 PolarHBondContact O-N 2.81Å; L258-V268 HydrophobicContact CD1-CG1 3.9Å; L258-V268 HydrophobicContact CD1-CG2 4.2Å; L258-V268 HydrophobicContact CD2-CG2 3.79Å
259E81.6Confident83.9Confident121 Ų12173.6 Ų73.657%0.56538%0.379SS*.Hα-helixtrans-80.7-42.7-173.6-165170.9-138.600113.2Y255 Q256Y255-E259 HydrophobicContact CE1-CB 4.45Å; Y255-E259 WeakPolarHBondContact CE1-OE2 3.49Å; Y255-E259 PolarHBondContact O-N 2.79Å; Y255-E259 PolarHBondContact OH-OE1 3.31Å; Y255-E259 PolarHBondContact OH-OE2 2.91Å; Q256-E259 PolarHBondContact O-N 2.79Å
260E71.8Confident84.2Confident154 Ų15474.3 Ų74.372%0.7239%0.388SS*.THydrogen-bonded Turntrans-113.3-11.7-174-59.1-175.5163.800113Q256Q256-E260 PolarHBondContact O-N 3.41Å
261G71.8Confident84.3Confident31 Ų3168.8 Ų68.832%0.3237%0.367SS..SBendtrans-99.6-171.1-17400000114.9Q256 C257 H263Q256-G261 PolarHBondContact O-N 3.03Å; C257-G261 CarbonylContact O-C 3.49Å; C257-G261 WeakPolarHBondContact O-CA 3.41Å; C257-G261 PolarHBondContact O-N 3.13Å; G261-H263 PolarHBondContact O-N 2.83Å
262K74.1Confident84.3Confident168 Ų16867 Ų6773%0.7337%0.369SS*.THydrogen-bonded Turntrans-70.67.6-177.5-59.9-177.2-178-178.60114.7H266K262-H266 PolarHBondContact O-CE1 2.98Å; K262-H266 PolarHBondContact O-ND1 3.32Å
263H82.8Confident84.2Confident20 Ų2067.4 Ų67.49%0.09338%0.377CS..THydrogen-bonded Turntrans-1143.9-174.3-57.5-90.1000114.6C249 C257 L258 G261 T265 H266C249-H263 PolarHBondContact SG-CE1 2.84Å; C249-H263 PolarHBondContact SG-ND1 3.37Å; C257-H263 WeakPolarHBondContact O-CB 3.37Å; C257-H263 PolarHBondContact O-N 2.96Å; L258-H263 VanDerWaalsContact CD1-O 3.26Å; L258-H263 WeakPolarHBondContact CD1-O 3.38Å; G261-H263 PolarHBondContact O-N 2.83Å; H263-T265 PolarHBondContact O-N 2.81Å; H263-T265 VanDerWaalsContact O-N 3.07Å; H263-H266 HydrophobicContact CB-CB 4.41Å; H263-H266 AromaticContact CG-ND1 3.94Å; H263-H266 AromaticContact ND1-ND1 3.39Å; H263-H266 PolarHBondContact ND1-ND1 2.8Å; H263-H266 WeakPolarHBondContact O-CB 3.15Å; H263-H266 PolarHBondContact O-N 2.9Å
264G80.6Confident84.4Confident51 Ų5168.1 Ų68.153%0.52638%0.381SS..THydrogen-bonded Turntrans-60.3-20.2-175.600000116.6L258L258-G264 WeakPolarHBondContact O-CA 3.48Å; L258-G264 PolarHBondContact O-N 2.81Å
265T83.4Confident84.3Confident133 Ų13374.8 Ų74.882%0.81641%0.406SS*.THydrogen-bonded Turntrans-103.91.8174.457.30000113.6H263H263-T265 PolarHBondContact O-N 2.81Å; H263-T265 VanDerWaalsContact O-N 3.07Å
266H89.8Confident84.4Confident59 Ų5976.1 Ų76.127%0.27341%0.414SS..SBendtrans-92.2145.4-177-64.3154.1000111.9C246 Q248 C249 K262 H263 V268C246-H266 VanDerWaalsContact SG-CB 3.51Å; Q248-H266 HydrophobicContact CB-CB 4.44Å; C249-H266 VanDerWaalsContact SG-CE1 3.51Å; C249-H266 PolarHBondContact SG-ND1 2.88Å; C249-H266 VanDerWaalsContact SG-ND1 3.37Å; K262-H266 PolarHBondContact O-CE1 2.98Å; K262-H266 PolarHBondContact O-ND1 3.32Å; H263-H266 HydrophobicContact CB-CB 4.41Å; H263-H266 AromaticContact CG-ND1 3.94Å; H263-H266 AromaticContact ND1-ND1 3.39Å; H263-H266 PolarHBondContact ND1-ND1 2.8Å; H263-H266 WeakPolarHBondContact O-CB 3.15Å; H263-H266 PolarHBondContact O-N 2.9Å; H266-V268 PolarHBondContact O-N 3.07Å
267E89.3Confident84.7Confident97 Ų9777.6 Ų77.645%0.45342%0.423SS..  trans-71.3122.4174.3-171.1-167.4158.300109.9V247 Q248 K269V247-E267 PolarHBondContact N-O 2.95Å; Q248-E267 VanDerWaalsContact CD-N 3.3Å; Q248-E267 VanDerWaalsContact NE2-N 3.14Å; Q248-E267 PolarHBondContact OE1-O 2.81Å; Q248-E267 VanDerWaalsContact OE1-O 3.04Å; E267-K269 WeakPolarHBondContact OE1-CE 3.47Å; E267-K269 IonicContact OE1-NZ 3.88Å; E267-K269 PolarHBondContact OE1-NZ 2.93Å
268V90.6Very high84.9Confident44 Ų4480.8 Ų80.827%0.26744%0.438SS..EExtended strand (participates in β ladder)trans-114.1142.9176.3-67.50000111.5M244 Y245 C246 V253 L258 H266M244-V268 HydrophobicContact CB-CB 4.28Å; M244-V268 HydrophobicContact SD-CB 4.44Å; M244-V268 HydrophobicContact SD-CG2 3.97Å; Y245-V268 CarbonylContact O-C 3.38Å; Y245-V268 VanDerWaalsContact O-CA 3.31Å; Y245-V268 WeakPolarHBondContact O-CA 3.42Å; C246-V268 HydrophobicContact CB-CG1 4.3Å; V253-V268 HydrophobicContact CG2-CG1 4Å; L258-V268 HydrophobicContact CD1-CG1 3.9Å; L258-V268 HydrophobicContact CD1-CG2 4.2Å; L258-V268 HydrophobicContact CD2-CG2 3.79Å; H266-V268 PolarHBondContact O-N 3.07Å
269K90.8Very high85.1Confident93 Ų9384.5 Ų84.540%0.40445%0.452SS..EExtended strand (participates in β ladder)trans-120156.1174.1-67.3-177.3-179.2174.40110.4M244 Y245 V247 E267 L271 M274M244-K269 CarbonylContact C-O 3.44Å; M244-K269 WeakPolarHBondContact CA-O 3.29Å; Y245-K269 PolarHBondContact N-O 3.12Å; Y245-K269 PolarHBondContact O-N 3.22Å; V247-K269 HydrophobicContact CG2-CD 3.96Å; V247-K269 HydrophobicContact CG2-CG 4.04Å; E267-K269 WeakPolarHBondContact OE1-CE 3.47Å; E267-K269 IonicContact OE1-NZ 3.88Å; E267-K269 PolarHBondContact OE1-NZ 2.93Å; K269-L271 PolarHBondContact O-N 3.2Å; K269-M274 HydrophobicContact CB-CG 3.65Å; K269-M274 HydrophobicContact CB-SD 4.05Å; K269-M274 HydrophobicContact CD-CG 4.46Å; K269-M274 HydrophobicContact CD-SD 3.69Å; K269-M274 HydrophobicContact CG-SD 4.45Å
270A90.5Very high85.4Confident63 Ų6380.7 Ų80.752%0.52145%0.445SS..EExtended strand (participates in β ladder)trans-58.2126.9175.900000110.7G272 A273 M274A270-G272 PolarHBondContact O-N 3.05Å; A270-A273 HydrophobicContact CB-CB 4.34Å; A270-A273 PolarHBondContact O-N 3.13Å; A270-M274 PolarHBondContact O-N 3.49Å; A270-M274 VanDerWaalsContact O-N 3.15Å
271L87.8Confident86.4Confident52 Ų5278.1 Ų78.127%0.27243%0.434SS..Hα-helixtrans-58.7-37.7-174.4-176.964.3000112.1L242 S243 Y245 P252 K269 A273 M274 W275L242-L271 HydrophobicContact CB-CD2 4.42Å; L242-L271 WeakPolarHBondContact O-CD2 3.07Å; S243-L271 VanDerWaalsContact C-CB 3.5Å; S243-L271 WeakPolarHBondContact O-CB 3.49Å; S243-L271 PolarHBondContact O-N 3.32Å; S243-L271 VanDerWaalsContact O-N 3.11Å; Y245-L271 HydrophobicContact CD2-CD1 4.44Å; P252-L271 HydrophobicContact CB-CD1 3.94Å; K269-L271 PolarHBondContact O-N 3.2Å; L271-A273 PolarHBondContact O-N 3.37Å; L271-M274 PolarHBondContact O-N 2.88Å; L271-W275 WeakPolarHBondContact O-CB 3.33Å; L271-W275 PolarHBondContact O-N 3.39Å
272G84.5Confident87.2Confident45 Ų4581.9 Ų81.946%0.46445%0.446SS..Hα-helixtrans-65.1-34.1177.900000114.1A270 K276A270-G272 PolarHBondContact O-N 3.05Å; G272-K276 PolarHBondContact O-N 3.36Å
273A86.1Confident88.1Confident62 Ų6276.8 Ų76.851%0.51243%0.431SS..Hα-helixtrans-72.6-47.2176.600000110.8A270 L271 W275 K276 L277A270-A273 HydrophobicContact CB-CB 4.34Å; A270-A273 PolarHBondContact O-N 3.13Å; L271-A273 PolarHBondContact O-N 3.37Å; A273-W275 VanDerWaalsContact C-N 3.3Å; A273-W275 PolarHBondContact O-N 2.91Å; A273-K276 PolarHBondContact O-N 2.82Å; A273-L277 PolarHBondContact O-N 2.86Å
274M90.1Very high88.5Confident19 Ų1982.8 Ų82.89%0.09446%0.459CS..Hα-helixtrans-63.4-35.2176.3-69.6-55.4-61.900112.5Y245 K269 A270 L271 L277 H278Y245-M274 HydrophobicContact CD1-CB 4.3Å; Y245-M274 HydrophobicContact CD1-CE 3.93Å; Y245-M274 HydrophobicContact CD1-CG 3.92Å; Y245-M274 HydrophobicContact CE1-CE 3.96Å; Y245-M274 HydrophobicContact CG-CB 4.13Å; Y245-M274 HydrophobicContact CG-CG 4.1Å; K269-M274 HydrophobicContact CB-CG 3.65Å; K269-M274 HydrophobicContact CB-SD 4.05Å; K269-M274 HydrophobicContact CD-CG 4.46Å; K269-M274 HydrophobicContact CD-SD 3.69Å; K269-M274 HydrophobicContact CG-SD 4.45Å; A270-M274 PolarHBondContact O-N 3.49Å; A270-M274 VanDerWaalsContact O-N 3.15Å; L271-M274 PolarHBondContact O-N 2.88Å; M274-L277 HydrophobicContact CE-CD2 4.1Å; M274-L277 PolarHBondContact O-N 3.47Å; M274-L277 HydrophobicContact SD-CD2 4.07Å; M274-H278 VanDerWaalsContact CE-NE2 3.3Å; M274-H278 WeakPolarHBondContact CE-NE2 3.18Å; M274-H278 WeakPolarHBondContact O-CB 3.37Å; M274-H278 PolarHBondContact O-N 2.87Å
275W87.3Confident89Confident139 Ų13983.4 Ų83.453%0.52746%0.459SS..Hα-helixtrans-60.3-45173.7168.379.5000112.9L271 A273 K279L271-W275 WeakPolarHBondContact O-CB 3.33Å; L271-W275 PolarHBondContact O-N 3.39Å; A273-W275 VanDerWaalsContact C-N 3.3Å; A273-W275 PolarHBondContact O-N 2.91Å; W275-K279 HydrophobicContact CD2-CD 4.22Å; W275-K279 VanDerWaalsContact CE2-CE 3.46Å; W275-K279 HydrophobicContact CZ2-CD 4Å; W275-K279 WeakPolarHBondContact O-CB 3.24Å; W275-K279 VanDerWaalsContact O-CG 3.32Å; W275-K279 WeakPolarHBondContact O-CG 3.46Å; W275-K279 PolarHBondContact O-N 2.76Å; W275-K279 VanDerWaalsContact O-N 3.08Å
276K87.8Confident89.4Confident146 Ų14681.5 Ų81.564%0.63544%0.444SS*.Hα-helixtrans-64.6-44.6175.4-70.8-175.2-176.8177.70111G272 A273 K279 G280G272-K276 PolarHBondContact O-N 3.36Å; A273-K276 PolarHBondContact O-N 2.82Å; K276-K279 PolarHBondContact O-N 3.33Å; K276-G280 PolarHBondContact O-N 3.41Å
277L89.8Confident89.6Confident90 Ų9083.3 Ų83.347%0.47146%0.455SS..Hα-helixtrans-60.1-53179.3-178.663.7000111.8A273 M274 K279 G280 Q281A273-L277 PolarHBondContact O-N 2.86Å; M274-L277 HydrophobicContact CE-CD2 4.1Å; M274-L277 PolarHBondContact O-N 3.47Å; M274-L277 HydrophobicContact SD-CD2 4.07Å; L277-K279 VanDerWaalsContact C-N 3.3Å; L277-K279 PolarHBondContact O-N 2.88Å; L277-G280 PolarHBondContact O-N 2.99Å; L277-G280 VanDerWaalsContact O-N 3.11Å; L277-Q281 WeakPolarHBondContact O-CG 3.35Å; L277-Q281 PolarHBondContact O-N 2.84Å
278H88.4Confident89.7Confident73 Ų7380 Ų8034%0.33845%0.448SS..Hα-helixtrans-64.5-33.4-179.8-74.6-169.4000112.6Y245 M274 Q281 L282Y245-H278 AromaticContact CZ-CE1 3.64Å; Y245-H278 PolarHBondContact OH-CE1 3.13Å; M274-H278 VanDerWaalsContact CE-NE2 3.3Å; M274-H278 WeakPolarHBondContact CE-NE2 3.18Å; M274-H278 WeakPolarHBondContact O-CB 3.37Å; M274-H278 PolarHBondContact O-N 2.87Å; H278-Q281 PolarHBondContact CD2-OE1 2.85Å; H278-Q281 VanDerWaalsContact CD2-OE1 3.27Å; H278-Q281 PolarHBondContact O-N 2.9Å; H278-L282 WeakPolarHBondContact O-CB 3.37Å; H278-L282 PolarHBondContact O-N 3.22Å
279K87.5Confident89.7Confident114 Ų11483 Ų8350%0.49646%0.462SS..Hα-helixtrans-63.8-43.3171.5-83.3-176.3162.4-168.60112.4W275 K276 L277 L282 S283W275-K279 HydrophobicContact CD2-CD 4.22Å; W275-K279 VanDerWaalsContact CE2-CE 3.46Å; W275-K279 HydrophobicContact CZ2-CD 4Å; W275-K279 WeakPolarHBondContact O-CB 3.24Å; W275-K279 VanDerWaalsContact O-CG 3.32Å; W275-K279 WeakPolarHBondContact O-CG 3.46Å; W275-K279 PolarHBondContact O-N 2.76Å; W275-K279 VanDerWaalsContact O-N 3.08Å; K276-K279 PolarHBondContact O-N 3.33Å; L277-K279 VanDerWaalsContact C-N 3.3Å; L277-K279 PolarHBondContact O-N 2.88Å; K279-L282 PolarHBondContact O-N 3.34Å; K279-S283 WeakPolarHBondContact O-CB 3.44Å; K279-S283 PolarHBondContact O-N 3.28Å
280G89.4Confident89.8Confident41 Ų4181.9 Ų81.942%0.42347%0.466SS..Hα-helixtrans-61.3-47.517500000111.7K276 L277 L282 S283 Q284K276-G280 PolarHBondContact O-N 3.41Å; L277-G280 PolarHBondContact O-N 2.99Å; L277-G280 VanDerWaalsContact O-N 3.11Å; G280-L282 PolarHBondContact O-N 3.07Å; G280-S283 PolarHBondContact O-N 2.59Å; G280-Q284 WeakPolarHBondContact O-CB 3.23Å; G280-Q284 PolarHBondContact O-N 3.37Å
281Q91.5Very high89.9Confident101 Ų10183.6 Ų83.647%0.47247%0.466SS..Hα-helixtrans-60.2-44.6176.8-72.3175.6-31.400112.5L277 H278 Q284 A285L277-Q281 WeakPolarHBondContact O-CG 3.35Å; L277-Q281 PolarHBondContact O-N 2.84Å; H278-Q281 PolarHBondContact CD2-OE1 2.85Å; H278-Q281 VanDerWaalsContact CD2-OE1 3.27Å; H278-Q281 PolarHBondContact O-N 2.9Å; Q281-Q284 PolarHBondContact O-N 3.33Å; Q281-A285 WeakPolarHBondContact O-CB 3.42Å; Q281-A285 PolarHBondContact O-N 3.24Å
282L90.1Very high90.2Very high109 Ų10989.2 Ų89.257%0.57148%0.484SS*.Hα-helixtrans-63.7-43.2176.7-179.161.9000111.3H278 K279 G280 Q284 A285 L286H278-L282 WeakPolarHBondContact O-CB 3.37Å; H278-L282 PolarHBondContact O-N 3.22Å; K279-L282 PolarHBondContact O-N 3.34Å; G280-L282 PolarHBondContact O-N 3.07Å; L282-Q284 VanDerWaalsContact C-N 3.34Å; L282-Q284 PolarHBondContact O-N 3.39Å; L282-A285 PolarHBondContact O-N 3.49Å; L282-L286 HydrophobicContact CD1-CD1 4.48Å; L282-L286 HydrophobicContact CD1-CG 4.41Å; L282-L286 HydrophobicContact CG-CD1 4.16Å; L282-L286 WeakPolarHBondContact O-CB 3.23Å; L282-L286 VanDerWaalsContact O-CG 3.25Å; L282-L286 WeakPolarHBondContact O-CG 3.49Å; L282-L286 PolarHBondContact O-N 3.31Å
283S92.1Very high90.5Very high62 Ų6289.3 Ų89.343%0.43448%0.48SS..Hα-helixtrans-62.1-41.9176.7-168.70000112K279 G280 L286 N287K279-S283 WeakPolarHBondContact O-CB 3.44Å; K279-S283 PolarHBondContact O-N 3.28Å; G280-S283 PolarHBondContact O-N 2.59Å; S283-L286 PolarHBondContact O-N 3.43Å; S283-N287 VanDerWaalsContact O-CG 3.27Å; S283-N287 PolarHBondContact O-N 2.9Å; S283-N287 PolarHBondContact O-OD1 3.26Å
284Q91.8Very high90.9Very high145 Ų14589.3 Ų89.368%0.67847%0.474SS*.Hα-helixtrans-65.4-43.6176.6-174.6-179.710.100111.5G280 Q281 L282 L286 N287 G288G280-Q284 WeakPolarHBondContact O-CB 3.23Å; G280-Q284 PolarHBondContact O-N 3.37Å; Q281-Q284 PolarHBondContact O-N 3.33Å; L282-Q284 VanDerWaalsContact C-N 3.34Å; L282-Q284 PolarHBondContact O-N 3.39Å; Q284-L286 VanDerWaalsContact C-N 3.3Å; Q284-L286 PolarHBondContact O-N 3.49Å; Q284-N287 PolarHBondContact O-N 2.97Å; Q284-G288 PolarHBondContact O-N 3.4Å
285A91.4Very high91.2Very high64 Ų6494.2 Ų94.253%0.52950%0.496SS..Hα-helixtrans-62.6-37.317600000112.1Q281 L282 G288 L289Q281-A285 WeakPolarHBondContact O-CB 3.42Å; Q281-A285 PolarHBondContact O-N 3.24Å; L282-A285 PolarHBondContact O-N 3.49Å; A285-G288 PolarHBondContact O-N 3.19Å; A285-L289 WeakPolarHBondContact O-CB 3.34Å; A285-L289 PolarHBondContact O-N 3.01Å
286L92Very high91.4Very high94 Ų9490 Ų9049%0.49249%0.491SS..Hα-helixtrans-66.8-41175-74.6170.5000112.4L282 S283 Q284 L289 S290L282-L286 HydrophobicContact CD1-CD1 4.48Å; L282-L286 HydrophobicContact CD1-CG 4.41Å; L282-L286 HydrophobicContact CG-CD1 4.16Å; L282-L286 WeakPolarHBondContact O-CB 3.23Å; L282-L286 VanDerWaalsContact O-CG 3.25Å; L282-L286 WeakPolarHBondContact O-CG 3.49Å; L282-L286 PolarHBondContact O-N 3.31Å; S283-L286 PolarHBondContact O-N 3.43Å; Q284-L286 VanDerWaalsContact C-N 3.3Å; Q284-L286 PolarHBondContact O-N 3.49Å; L286-L289 PolarHBondContact O-N 3.28Å; L286-S290 PolarHBondContact O-N 2.86Å
287N92.2Very high91.8Very high96 Ų9689.9 Ų89.951%0.51349%0.49SS..Hα-helixtrans-59.8-49.4173.8-67.8-14.2000110.2S283 Q284 L289 S290 D291S283-N287 VanDerWaalsContact O-CG 3.27Å; S283-N287 PolarHBondContact O-N 2.9Å; S283-N287 PolarHBondContact O-OD1 3.26Å; Q284-N287 PolarHBondContact O-N 2.97Å; N287-L289 VanDerWaalsContact C-N 3.26Å; N287-L289 PolarHBondContact O-N 3.41Å; N287-S290 WeakPolarHBondContact O-CB 3.18Å; N287-S290 PolarHBondContact O-N 3.01Å; N287-D291 VanDerWaalsContact O-CG 3.29Å; N287-D291 PolarHBondContact O-N 2.93Å
288G91.4Very high92.1Very high28 Ų2891 Ų9129%0.28949%0.493SS..Hα-helixtrans-64.1-26.617700000114.3Q284 A285 R292Q284-G288 PolarHBondContact O-N 3.4Å; A285-G288 PolarHBondContact O-N 3.19Å; G288-R292 WeakPolarHBondContact O-CG 3.4Å; G288-R292 PolarHBondContact O-N 3.5Å
289L92.3Very high92.4Very high107 Ų10792.9 Ų92.956%0.5650%0.501SS*.Hα-helixtrans-72.5-40170.3-178.662.4000111.9A285 L286 N287 R292 A293A285-L289 WeakPolarHBondContact O-CB 3.34Å; A285-L289 PolarHBondContact O-N 3.01Å; L286-L289 PolarHBondContact O-N 3.28Å; N287-L289 VanDerWaalsContact C-N 3.26Å; N287-L289 PolarHBondContact O-N 3.41Å; L289-R292 PolarHBondContact O-N 3.49Å; L289-A293 WeakPolarHBondContact O-CB 3.4Å; L289-A293 PolarHBondContact O-N 3.38Å
290S92.2Very high92.8Very high70 Ų7091.7 Ų91.749%0.4950%0.499SS..Hα-helixtrans-64.9-39.6176.3-170.80000111.9L286 N287 A293 T294L286-S290 PolarHBondContact O-N 2.86Å; N287-S290 WeakPolarHBondContact O-CB 3.18Å; N287-S290 PolarHBondContact O-N 3.01Å; S290-A293 PolarHBondContact O-N 3.4Å; S290-T294 PolarHBondContact O-N 2.82Å; S290-T294 PolarHBondContact O-OG1 2.91Å
291D93.2Very high93.2Very high98 Ų9893.3 Ų93.352%0.52450%0.501SS..Hα-helixtrans-62.5-50.3176.9-63.5-23.4000109.4N287 A293 T294 E295N287-D291 VanDerWaalsContact O-CG 3.29Å; N287-D291 PolarHBondContact O-N 2.93Å; D291-A293 VanDerWaalsContact C-N 3.3Å; D291-A293 PolarHBondContact O-N 3.19Å; D291-T294 WeakPolarHBondContact O-CA 3.4Å; D291-T294 WeakPolarHBondContact O-CB 3.32Å; D291-T294 PolarHBondContact O-N 2.99Å; D291-E295 PolarHBondContact O-N 3.36Å
292R92.8Very high93.4Very high171 Ų17194.2 Ų94.265%0.64551%0.505SS*.Hα-helixtrans-60-35.8174-76.7-163.8-84.9-166.7-5.6113.9G288 L289 T294 A296G288-R292 WeakPolarHBondContact O-CG 3.4Å; G288-R292 PolarHBondContact O-N 3.5Å; L289-R292 PolarHBondContact O-N 3.49Å; R292-T294 VanDerWaalsContact C-N 3.26Å; R292-T294 PolarHBondContact O-N 2.64Å; R292-A296 WeakPolarHBondContact O-CB 3.43Å; R292-A296 PolarHBondContact O-N 2.9Å
293A92Very high93.7Very high46 Ų4692.9 Ų92.938%0.3850%0.498SS..Hα-helixtrans-67.3-29.8174.500000112.2L289 S290 D291 K297L289-A293 WeakPolarHBondContact O-CB 3.4Å; L289-A293 PolarHBondContact O-N 3.38Å; S290-A293 PolarHBondContact O-N 3.4Å; D291-A293 VanDerWaalsContact C-N 3.3Å; D291-A293 PolarHBondContact O-N 3.19Å; A293-K297 WeakPolarHBondContact O-CG 3.28Å; A293-K297 PolarHBondContact O-N 2.84Å
294T94.5Very high93.9Very high63 Ų6398.4 Ų98.439%0.38751%0.509SS..Hα-helixtrans-74.1-46.2175.5-53.80000110.4S290 D291 R292 A296 K297 E298S290-T294 PolarHBondContact O-N 2.82Å; S290-T294 PolarHBondContact O-OG1 2.91Å; D291-T294 WeakPolarHBondContact O-CA 3.4Å; D291-T294 WeakPolarHBondContact O-CB 3.32Å; D291-T294 PolarHBondContact O-N 2.99Å; R292-T294 VanDerWaalsContact C-N 3.26Å; R292-T294 PolarHBondContact O-N 2.64Å; T294-A296 VanDerWaalsContact C-N 3.28Å; T294-A296 PolarHBondContact O-N 2.83Å; T294-K297 WeakPolarHBondContact O-CB 3.25Å; T294-K297 PolarHBondContact O-N 2.83Å; T294-E298 PolarHBondContact O-N 3.3Å
295E94.7Very high94.1Very high122 Ų12295.9 Ų95.957%0.5750%0.501SS*.Hα-helixtrans-55.1-44.1172.2-68.7172.6-170.700111.6D291 K297 E298 F299D291-E295 PolarHBondContact O-N 3.36Å; E295-K297 VanDerWaalsContact C-N 3.33Å; E295-K297 PolarHBondContact O-N 3.04Å; E295-E298 PolarHBondContact O-N 3.02Å; E295-F299 WeakPolarHBondContact O-CB 3.07Å; E295-F299 PolarHBondContact O-N 3.01Å
296A93.1Very high94.2Very high51 Ų5198.3 Ų98.342%0.42150%0.502SS..Hα-helixtrans-62.7-37.8176.500000112.5R292 T294 L300R292-A296 WeakPolarHBondContact O-CB 3.43Å; R292-A296 PolarHBondContact O-N 2.9Å; T294-A296 VanDerWaalsContact C-N 3.28Å; T294-A296 PolarHBondContact O-N 2.83Å; A296-L300 VanDerWaalsContact O-CG 3.31Å; A296-L300 WeakPolarHBondContact O-CG 3.23Å; A296-L300 PolarHBondContact O-N 3.39Å
297K94.8Very high94.4Very high142 Ų14297.7 Ų97.762%0.61750%0.502SS*.Hα-helixtrans-66.8-43.1175.2-75.2171.4-177.7177.60111.7A293 T294 E295 F299 L300 V301A293-K297 WeakPolarHBondContact O-CG 3.28Å; A293-K297 PolarHBondContact O-N 2.84Å; T294-K297 WeakPolarHBondContact O-CB 3.25Å; T294-K297 PolarHBondContact O-N 2.83Å; E295-K297 VanDerWaalsContact C-N 3.33Å; E295-K297 PolarHBondContact O-N 3.04Å; K297-F299 VanDerWaalsContact C-N 3.35Å; K297-L300 PolarHBondContact O-N 2.94Å; K297-V301 WeakPolarHBondContact O-CG2 3.47Å; K297-V301 PolarHBondContact O-N 3.47Å
298E95.9Very high94.6Very high113 Ų11398 Ų9853%0.52850%0.5SS..Hα-helixtrans-62.4-44.2176.2-70.5177.2178.800111.1T294 E295 L300 V301 Q302T294-E298 PolarHBondContact O-N 3.3Å; E295-E298 PolarHBondContact O-N 3.02Å; E298-L300 VanDerWaalsContact C-N 3.33Å; E298-L300 PolarHBondContact O-N 2.74Å; E298-V301 WeakPolarHBondContact O-CB 3.47Å; E298-V301 PolarHBondContact O-N 2.95Å; E298-V301 VanDerWaalsContact O-N 3.09Å; E298-Q302 WeakPolarHBondContact O-CG 3.14Å; E298-Q302 PolarHBondContact O-N 3.41Å
299F95.9Very high94.7Very high113 Ų113101.4 Ų101.450%0.49651%0.509SS..Hα-helixtrans-60.4-40.8174.8-176.1-117.2000112.3E295 K297 V301 Q302 L303E295-F299 WeakPolarHBondContact O-CB 3.07Å; E295-F299 PolarHBondContact O-N 3.01Å; K297-F299 VanDerWaalsContact C-N 3.35Å; F299-V301 VanDerWaalsContact C-N 3.3Å; F299-V301 PolarHBondContact O-N 2.88Å; F299-Q302 WeakPolarHBondContact O-CB 3Å; F299-Q302 PolarHBondContact O-N 3.04Å; F299-L303 HydrophobicContact CD1-CD1 3.99Å; F299-L303 HydrophobicContact CD1-CG 4.43Å; F299-L303 HydrophobicContact CE1-CD1 3.57Å; F299-L303 HydrophobicContact CE1-CD2 4.49Å; F299-L303 HydrophobicContact CE1-CG 4.09Å; F299-L303 HydrophobicContact CE2-CD2 4.35Å; F299-L303 HydrophobicContact CE2-CG 4.31Å; F299-L303 HydrophobicContact CZ-CD1 3.95Å; F299-L303 HydrophobicContact CZ-CD2 4.01Å; F299-L303 HydrophobicContact CZ-CG 4.01Å; F299-L303 WeakPolarHBondContact O-CG 3.29Å; F299-L303 PolarHBondContact O-N 2.99Å
300L95.6Very high94.7Very high90 Ų90101.4 Ų101.447%0.47151%0.508SS..Hα-helixtrans-62.2-36.3173.8-75.5172.1000112.7A296 K297 E298 R304A296-L300 VanDerWaalsContact O-CG 3.31Å; A296-L300 WeakPolarHBondContact O-CG 3.23Å; A296-L300 PolarHBondContact O-N 3.39Å; K297-L300 PolarHBondContact O-N 2.94Å; E298-L300 VanDerWaalsContact C-N 3.33Å; E298-L300 PolarHBondContact O-N 2.74Å; L300-R304 WeakPolarHBondContact O-CG 3.2Å; L300-R304 PolarHBondContact O-N 3.45Å; L300-R304 VanDerWaalsContact O-N 3.08Å
301V97.3Very high94.8Very high74 Ų74104.1 Ų104.145%0.44851%0.513SS..Hα-helixtrans-67.3-43.4173.8173.40000110.6K297 E298 F299 L303 R304 N305K297-V301 WeakPolarHBondContact O-CG2 3.47Å; K297-V301 PolarHBondContact O-N 3.47Å; E298-V301 WeakPolarHBondContact O-CB 3.47Å; E298-V301 PolarHBondContact O-N 2.95Å; E298-V301 VanDerWaalsContact O-N 3.09Å; F299-V301 VanDerWaalsContact C-N 3.3Å; F299-V301 PolarHBondContact O-N 2.88Å; V301-L303 VanDerWaalsContact C-N 3.35Å; V301-L303 PolarHBondContact O-N 3.2Å; V301-R304 PolarHBondContact O-N 3.19Å; V301-N305 PolarHBondContact O-N 3.11Å
302Q96.3Very high94.8Very high121 Ų121104.5 Ų104.557%0.56551%0.512SS*.Hα-helixtrans-58.9-45.3175.3-69.5175.53.300111.8E298 F299 R304 N305 M306E298-Q302 WeakPolarHBondContact O-CG 3.14Å; E298-Q302 PolarHBondContact O-N 3.41Å; F299-Q302 WeakPolarHBondContact O-CB 3Å; F299-Q302 PolarHBondContact O-N 3.04Å; Q302-R304 VanDerWaalsContact C-N 3.34Å; Q302-R304 PolarHBondContact O-N 2.97Å; Q302-N305 PolarHBondContact O-N 3.38Å; Q302-M306 PolarHBondContact O-N 3.44Å
303L95.6Very high94.8Very high80 Ų8099.8 Ų99.842%0.41950%0.499SS..Hα-helixtrans-60.4-42.6176.1-72.5177.8000111.8F299 V301 N305 M306 V307F299-L303 HydrophobicContact CD1-CD1 3.99Å; F299-L303 HydrophobicContact CD1-CG 4.43Å; F299-L303 HydrophobicContact CE1-CD1 3.57Å; F299-L303 HydrophobicContact CE1-CD2 4.49Å; F299-L303 HydrophobicContact CE1-CG 4.09Å; F299-L303 HydrophobicContact CE2-CD2 4.35Å; F299-L303 HydrophobicContact CE2-CG 4.31Å; F299-L303 HydrophobicContact CZ-CD1 3.95Å; F299-L303 HydrophobicContact CZ-CD2 4.01Å; F299-L303 HydrophobicContact CZ-CG 4.01Å; F299-L303 WeakPolarHBondContact O-CG 3.29Å; F299-L303 PolarHBondContact O-N 2.99Å; V301-L303 VanDerWaalsContact C-N 3.35Å; V301-L303 PolarHBondContact O-N 3.2Å; L303-N305 PolarHBondContact O-N 3.45Å; L303-M306 WeakPolarHBondContact O-CB 3.49Å; L303-M306 PolarHBondContact O-N 3.33Å; L303-V307 WeakPolarHBondContact O-CG2 3.43Å; L303-V307 PolarHBondContact O-N 3.19Å
304R96.3Very high94.8Very high179 Ų17999.4 Ų99.468%0.67550%0.5SS*.Hα-helixtrans-62-42.9176.2-74.9172.9179.8166.60.9112.2L300 V301 Q302 M306 V307 Q308L300-R304 WeakPolarHBondContact O-CG 3.2Å; L300-R304 PolarHBondContact O-N 3.45Å; L300-R304 VanDerWaalsContact O-N 3.08Å; V301-R304 PolarHBondContact O-N 3.19Å; Q302-R304 VanDerWaalsContact C-N 3.34Å; Q302-R304 PolarHBondContact O-N 2.97Å; R304-M306 VanDerWaalsContact C-N 3.33Å; R304-V307 PolarHBondContact O-N 2.81Å; R304-Q308 PolarHBondContact O-N 2.89Å
305N95.9Very high94.8Very high92 Ų92101.1 Ų101.149%0.49251%0.51SS..Hα-helixtrans-64.4-39.4176.3-67.6-10000111.4V301 Q302 L303 V307 Q308 H309V301-N305 PolarHBondContact O-N 3.11Å; Q302-N305 PolarHBondContact O-N 3.38Å; L303-N305 PolarHBondContact O-N 3.45Å; N305-V307 VanDerWaalsContact C-N 3.35Å; N305-V307 PolarHBondContact O-N 2.85Å; N305-Q308 PolarHBondContact O-N 2.87Å; N305-H309 WeakPolarHBondContact O-CB 3.36Å; N305-H309 PolarHBondContact O-N 3.08Å
306M94.5Very high94.7Very high115 Ų115102 Ų10257%0.56751%0.514SS*.Hα-helixtrans-61.4-43.5175-168.373.273.800111.4Q302 L303 R304 Q308 H309 I310Q302-M306 PolarHBondContact O-N 3.44Å; L303-M306 WeakPolarHBondContact O-CB 3.49Å; L303-M306 PolarHBondContact O-N 3.33Å; R304-M306 VanDerWaalsContact C-N 3.33Å; M306-Q308 VanDerWaalsContact C-N 3.34Å; M306-Q308 PolarHBondContact O-N 3.04Å; M306-H309 PolarHBondContact O-N 3.44Å; M306-I310 HydrophobicContact CG-CD1 4.08Å; M306-I310 VanDerWaalsContact O-CG1 3.29Å; M306-I310 WeakPolarHBondContact O-CG1 3.36Å; M306-I310 PolarHBondContact O-N 3.01Å
307V96.4Very high94.6Very high81 Ų81105 Ų10549%0.49152%0.518SS..Hα-helixtrans-59.4-45.7175173.60000111L303 R304 N305 H309 I310 Q311L303-V307 WeakPolarHBondContact O-CG2 3.43Å; L303-V307 PolarHBondContact O-N 3.19Å; R304-V307 PolarHBondContact O-N 2.81Å; N305-V307 VanDerWaalsContact C-N 3.35Å; N305-V307 PolarHBondContact O-N 2.85Å; V307-H309 PolarHBondContact O-N 3.22Å; V307-I310 PolarHBondContact O-N 2.84Å; V307-Q311 VanDerWaalsContact O-CG 3.3Å; V307-Q311 WeakPolarHBondContact O-CG 3.33Å; V307-Q311 PolarHBondContact O-N 2.8Å
308Q95.8Very high94.6Very high101 Ų101104.1 Ų104.147%0.47252%0.516SS..Hα-helixtrans-61-45.2177.3-177.2179.7-1300111.7R304 N305 M306 I310 Q311 E312R304-Q308 PolarHBondContact O-N 2.89Å; N305-Q308 PolarHBondContact O-N 2.87Å; M306-Q308 VanDerWaalsContact C-N 3.34Å; M306-Q308 PolarHBondContact O-N 3.04Å; Q308-I310 PolarHBondContact O-N 2.75Å; Q308-Q311 WeakPolarHBondContact O-CB 3.06Å; Q308-Q311 PolarHBondContact O-N 2.86Å; Q308-Q311 VanDerWaalsContact O-N 3.14Å; Q308-E312 WeakPolarHBondContact CG-OE1 3.1Å; Q308-E312 PolarHBondContact NE2-OE1 3.05Å; Q308-E312 WeakPolarHBondContact O-CG 3.32Å; Q308-E312 PolarHBondContact O-N 3.15Å
309H93.8Very high94.5Very high100 Ų100101.6 Ų101.646%0.46352%0.515SS..Hα-helixtrans-64.2-39.1179-174-91.8000112.5N305 M306 V307 Q311 E312 N313N305-H309 WeakPolarHBondContact O-CB 3.36Å; N305-H309 PolarHBondContact O-N 3.08Å; M306-H309 PolarHBondContact O-N 3.44Å; V307-H309 PolarHBondContact O-N 3.22Å; H309-Q311 VanDerWaalsContact C-N 3.3Å; H309-Q311 PolarHBondContact O-N 2.77Å; H309-E312 PolarHBondContact O-N 2.92Å; H309-N313 PolarHBondContact CE1-ND2 3.11Å; H309-N313 PolarHBondContact ND1-ND2 3.27Å; H309-N313 VanDerWaalsContact O-CB 3.32Å; H309-N313 WeakPolarHBondContact O-CB 3.12Å; H309-N313 VanDerWaalsContact O-CG 3.3Å; H309-N313 PolarHBondContact O-N 3.21Å
310I92Very high94.3Very high108 Ų10899.3 Ų99.355%0.55451%0.512SS*.Hα-helixtrans-62.1-40.3173.2-69.8166.3000110.8M306 V307 Q308 G314M306-I310 HydrophobicContact CG-CD1 4.08Å; M306-I310 VanDerWaalsContact O-CG1 3.29Å; M306-I310 WeakPolarHBondContact O-CG1 3.36Å; M306-I310 PolarHBondContact O-N 3.01Å; V307-I310 PolarHBondContact O-N 2.84Å; Q308-I310 PolarHBondContact O-N 2.75Å; I310-G314 PolarHBondContact O-N 3.44Å
311Q94.3Very high94.1Very high127 Ų12798.2 Ų98.259%0.59351%0.506SS*.Hα-helixtrans-64.6-47177-71.6171.2-20.600111.8V307 Q308 H309 G314 V315V307-Q311 VanDerWaalsContact O-CG 3.3Å; V307-Q311 WeakPolarHBondContact O-CG 3.33Å; V307-Q311 PolarHBondContact O-N 2.8Å; Q308-Q311 WeakPolarHBondContact O-CB 3.06Å; Q308-Q311 PolarHBondContact O-N 2.86Å; Q308-Q311 VanDerWaalsContact O-N 3.14Å; H309-Q311 VanDerWaalsContact C-N 3.3Å; H309-Q311 PolarHBondContact O-N 2.77Å; Q311-G314 PolarHBondContact O-N 3.1Å; Q311-V315 WeakPolarHBondContact O-CG2 3.44Å; Q311-V315 PolarHBondContact O-N 3.11Å; Q311-V315 VanDerWaalsContact O-N 3.13Å
312E94.1Very high94Very high105 Ų10598 Ų9849%0.49151%0.505SS..Hα-helixtrans-62.1-49.2178.2-71.5171.4-172.200111.5Q308 H309 G314 V315 E316Q308-E312 WeakPolarHBondContact CG-OE1 3.1Å; Q308-E312 PolarHBondContact NE2-OE1 3.05Å; Q308-E312 WeakPolarHBondContact O-CG 3.32Å; Q308-E312 PolarHBondContact O-N 3.15Å; H309-E312 PolarHBondContact O-N 2.92Å; E312-G314 VanDerWaalsContact C-N 3.28Å; E312-G314 PolarHBondContact O-N 2.85Å; E312-V315 PolarHBondContact O-N 3.34Å; E312-E316 PolarHBondContact O-N 3.2Å; E312-E316 VanDerWaalsContact O-N 3.07Å
313N92.1Very high93.9Very high72 Ų7294.9 Ų94.939%0.38550%0.5SS..Hα-helixtrans-62.1-35.9176.2-74.74.9000112.6H309 E316 F317H309-N313 PolarHBondContact CE1-ND2 3.11Å; H309-N313 PolarHBondContact ND1-ND2 3.27Å; H309-N313 VanDerWaalsContact O-CB 3.32Å; H309-N313 WeakPolarHBondContact O-CB 3.12Å; H309-N313 VanDerWaalsContact O-CG 3.3Å; H309-N313 PolarHBondContact O-N 3.21Å; N313-E316 PolarHBondContact O-N 2.8Å; N313-F317 VanDerWaalsContact O-CB 3.26Å; N313-F317 WeakPolarHBondContact O-CB 3.47Å; N313-F317 PolarHBondContact O-N 2.77Å
314G91.4Very high93.8Very high38 Ų3896.9 Ų96.939%0.39251%0.507SS..Hα-helixtrans-61.4-45.4176.600000111.9I310 Q311 E312 F317 E318I310-G314 PolarHBondContact O-N 3.44Å; Q311-G314 PolarHBondContact O-N 3.1Å; E312-G314 VanDerWaalsContact C-N 3.28Å; E312-G314 PolarHBondContact O-N 2.85Å; G314-F317 PolarHBondContact O-N 2.89Å; G314-E318 WeakPolarHBondContact O-CB 3.24Å; G314-E318 PolarHBondContact O-N 3.08Å
315V95.9Very high93.6Very high100 Ų10090.7 Ų90.761%0.60649%0.491SS*.Hα-helixtrans-64.7-42.8176.8174.80000111.3Q311 E312 E318 A319Q311-V315 WeakPolarHBondContact O-CG2 3.44Å; Q311-V315 PolarHBondContact O-N 3.11Å; Q311-V315 VanDerWaalsContact O-N 3.13Å; E312-V315 PolarHBondContact O-N 3.34Å; V315-E318 PolarHBondContact O-N 3.47Å; V315-A319 WeakPolarHBondContact O-CB 3.32Å; V315-A319 PolarHBondContact O-N 2.97Å
316E92.3Very high93.7Very high139 Ų13990.3 Ų90.365%0.6549%0.489SS*.Hα-helixtrans-63.8-42.7176.9-175.1175-16900111.9E312 N313 A319 C320E312-E316 PolarHBondContact O-N 3.2Å; E312-E316 VanDerWaalsContact O-N 3.07Å; N313-E316 PolarHBondContact O-N 2.8Å; E316-A319 PolarHBondContact O-N 3.04Å; E316-C320 WeakPolarHBondContact O-CB 3.41Å; E316-C320 PolarHBondContact O-N 3.44Å
317F91.4Very high93.7Very high115 Ų11587.4 Ų87.450%0.50448%0.483SS..Hα-helixtrans-62.9-43.9176.8-175.8-97.6000111.8N313 G314 C320 L321 F436N313-F317 VanDerWaalsContact O-CB 3.26Å; N313-F317 WeakPolarHBondContact O-CB 3.47Å; N313-F317 PolarHBondContact O-N 2.77Å; G314-F317 PolarHBondContact O-N 2.89Å; F317-C320 PolarHBondContact O-N 2.95Å; F317-L321 PolarHBondContact O-N 3.5Å; F317-F436 AromaticContact CE1-CE1 3.78Å; F317-F436 HydrophobicContact CE1-CE1 3.78Å; F317-F436 HydrophobicContact CE1-CZ 4.27Å; F317-F436 HydrophobicContact CZ-CD1 4Å; F317-F436 AromaticContact CZ-CE1 3.65Å; F317-F436 HydrophobicContact CZ-CE1 3.65Å
318E93.1Very high93.6Very high124 Ų12488.4 Ų88.458%0.57949%0.485SS*.Hα-helixtrans-59.8-47174.5-174.6-178.7167.900111.3G314 V315 C320 L321 V322G314-E318 WeakPolarHBondContact O-CB 3.24Å; G314-E318 PolarHBondContact O-N 3.08Å; V315-E318 PolarHBondContact O-N 3.47Å; E318-C320 VanDerWaalsContact C-N 3.29Å; E318-C320 PolarHBondContact O-N 2.95Å; E318-L321 PolarHBondContact O-N 3.01Å; E318-V322 HydrophobicContact CG-CG2 4.49Å; E318-V322 WeakPolarHBondContact O-CG2 3.48Å; E318-V322 PolarHBondContact O-N 2.98Å
319A93.9Very high93.6Very high60 Ų6087.9 Ų87.950%0.49649%0.485SS..Hα-helixtrans-59.7-40.3177.400000112.2V315 E316 A323V315-A319 WeakPolarHBondContact O-CB 3.32Å; V315-A319 PolarHBondContact O-N 2.97Å; E316-A319 PolarHBondContact O-N 3.04Å; A319-A323 WeakPolarHBondContact O-CB 3.46Å; A319-A323 PolarHBondContact O-N 2.98Å
320C91.9Very high93.8Very high65 Ų6587.2 Ų87.244%0.43949%0.485SS..Hα-helixtrans-65.8-43.4175.9-173.60000112.2E316 F317 E318 A323 Q324E316-C320 WeakPolarHBondContact O-CB 3.41Å; E316-C320 PolarHBondContact O-N 3.44Å; F317-C320 PolarHBondContact O-N 2.95Å; E318-C320 VanDerWaalsContact C-N 3.29Å; E318-C320 PolarHBondContact O-N 2.95Å; C320-A323 PolarHBondContact O-N 3.45Å; C320-Q324 WeakPolarHBondContact O-CG 3.34Å; C320-Q324 PolarHBondContact O-N 3.45Å; C320-Q324 PolarHBondContact SG-NE2 2.98Å
321L91.2Very high93.9Very high66 Ų6684.3 Ų84.335%0.34648%0.477SS..Hα-helixtrans-60.6-47.6175.8175.263.5000111.3F317 E318 A323 Q324 C325 F436F317-L321 PolarHBondContact O-N 3.5Å; E318-L321 PolarHBondContact O-N 3.01Å; L321-A323 PolarHBondContact O-N 3.04Å; L321-Q324 PolarHBondContact O-N 3.5Å; L321-C325 PolarHBondContact O-N 3.36Å; L321-F436 HydrophobicContact CD1-CE1 3.99Å; L321-F436 HydrophobicContact CD1-CZ 4.18Å; L321-F436 HydrophobicContact CD2-CE1 4.19Å; L321-F436 HydrophobicContact CD2-CZ 3.77Å
322V95.6Very high93.9Very high69 Ų6982.4 Ų82.442%0.41847%0.47SS..Hα-helixtrans-58.9-48.3177.3171.10000110.4E318 Q324 C325 D326E318-V322 HydrophobicContact CG-CG2 4.49Å; E318-V322 WeakPolarHBondContact O-CG2 3.48Å; E318-V322 PolarHBondContact O-N 2.98Å; V322-Q324 VanDerWaalsContact C-N 3.3Å; V322-Q324 PolarHBondContact O-N 2.82Å; V322-C325 PolarHBondContact O-N 3.44Å; V322-C325 VanDerWaalsContact O-N 3.17Å; V322-D326 WeakPolarHBondContact O-CB 3.44Å; V322-D326 PolarHBondContact O-N 3.26Å
323A94.5Very high94.1Very high57 Ų5781.3 Ų81.347%0.47147%0.468SS..Hα-helixtrans-59.7-38.2178.400000113A319 C320 L321 A327A319-A323 WeakPolarHBondContact O-CB 3.46Å; A319-A323 PolarHBondContact O-N 2.98Å; C320-A323 PolarHBondContact O-N 3.45Å; L321-A323 PolarHBondContact O-N 3.04Å; A323-A327 WeakPolarHBondContact O-CB 3.17Å; A323-A327 PolarHBondContact O-N 3.29Å
324Q92.8Very high94.3Very high121 Ų12184.9 Ų84.957%0.56548%0.476SS*.Hα-helixtrans-65.8-45175.4-74.1178.558.900111.9C320 L321 V322 A327 L328C320-Q324 WeakPolarHBondContact O-CG 3.34Å; C320-Q324 PolarHBondContact O-N 3.45Å; C320-Q324 PolarHBondContact SG-NE2 2.98Å; L321-Q324 PolarHBondContact O-N 3.5Å; V322-Q324 VanDerWaalsContact C-N 3.3Å; V322-Q324 PolarHBondContact O-N 2.82Å; Q324-A327 PolarHBondContact O-N 3.42Å; Q324-L328 PolarHBondContact O-N 2.97Å
325C93.8Very high94.5Very high50 Ų5089.4 Ų89.434%0.33848%0.481SS..Hα-helixtrans-62.7-43.5175.8-73.40000112L321 V322 A327 L328 I329L321-C325 PolarHBondContact O-N 3.36Å; V322-C325 PolarHBondContact O-N 3.44Å; V322-C325 VanDerWaalsContact O-N 3.17Å; C325-A327 VanDerWaalsContact C-N 3.32Å; C325-A327 PolarHBondContact O-N 3.03Å; C325-L328 WeakPolarHBondContact O-CB 3.39Å; C325-L328 PolarHBondContact O-N 3.31Å; C325-L328 VanDerWaalsContact O-N 3.14Å; C325-I329 WeakPolarHBondContact O-CG1 2.94Å; C325-I329 PolarHBondContact O-N 2.93Å
326D96.6Very high94.5Very high83 Ų8390.7 Ų90.744%0.44448%0.479SS..Hα-helixtrans-62.5-39.3177.7-75.1-21.8000111.7V322 L328 I329 D330V322-D326 WeakPolarHBondContact O-CB 3.44Å; V322-D326 PolarHBondContact O-N 3.26Å; D326-L328 VanDerWaalsContact C-N 3.3Å; D326-L328 PolarHBondContact O-N 2.87Å; D326-I329 PolarHBondContact O-N 3.33Å; D326-D330 WeakPolarHBondContact O-CB 3.44Å; D326-D330 PolarHBondContact O-N 2.91Å
327A95.1Very high94.8Very high55 Ų5586.9 Ų86.946%0.45547%0.471SS..Hα-helixtrans-61.3-37.4174.700000112.7A323 Q324 C325 A331A323-A327 WeakPolarHBondContact O-CB 3.17Å; A323-A327 PolarHBondContact O-N 3.29Å; Q324-A327 PolarHBondContact O-N 3.42Å; C325-A327 VanDerWaalsContact C-N 3.32Å; C325-A327 PolarHBondContact O-N 3.03Å; A327-A331 PolarHBondContact O-N 3.34Å
328L94.6Very high95Very high102 Ų10286.9 Ų86.953%0.53447%0.473SS..Hα-helixtrans-67.8-43.8174.2-66.4175.4000111.5Q324 C325 D326 D330 A331 L332 L434Q324-L328 PolarHBondContact O-N 2.97Å; C325-L328 WeakPolarHBondContact O-CB 3.39Å; C325-L328 PolarHBondContact O-N 3.31Å; C325-L328 VanDerWaalsContact O-N 3.14Å; D326-L328 VanDerWaalsContact C-N 3.3Å; D326-L328 PolarHBondContact O-N 2.87Å; L328-D330 VanDerWaalsContact C-N 3.31Å; L328-D330 PolarHBondContact O-N 3.12Å; L328-A331 PolarHBondContact O-N 2.84Å; L328-L332 PolarHBondContact O-N 2.86Å; L328-L434 HydrophobicContact CD1-CD2 4.02Å
329I95.7Very high95.2Very high90 Ų9083.4 Ų83.446%0.46246%0.457SS..Hα-helixtrans-59.2-44.8175.9-69.2167.4000110.3C325 D326 A331 L332 N333C325-I329 WeakPolarHBondContact O-CG1 2.94Å; C325-I329 PolarHBondContact O-N 2.93Å; D326-I329 PolarHBondContact O-N 3.33Å; I329-A331 PolarHBondContact O-N 3.11Å; I329-L332 WeakPolarHBondContact O-CB 3.3Å; I329-L332 PolarHBondContact O-N 3.48Å; I329-N333 WeakPolarHBondContact O-CB 3.39Å; I329-N333 PolarHBondContact O-N 3.05Å; I329-N333 PolarHBondContact O-ND2 3.27Å
330D97.1Very high95.3Very high85 Ų8585 Ų8546%0.45546%0.457SS..Hα-helixtrans-62.1-42.1177.1-91.4-2.7000112.7D326 L328 L332 N333 R334D326-D330 WeakPolarHBondContact O-CB 3.44Å; D326-D330 PolarHBondContact O-N 2.91Å; L328-D330 VanDerWaalsContact C-N 3.31Å; L328-D330 PolarHBondContact O-N 3.12Å; D330-L332 VanDerWaalsContact C-N 3.32Å; D330-L332 PolarHBondContact O-N 3.24Å; D330-N333 PolarHBondContact O-N 3.02Å; D330-R334 WeakPolarHBondContact O-CG 3.25Å; D330-R334 PolarHBondContact O-N 3.05Å
331A94.6Very high95.5Very high47 Ų4784.8 Ų84.839%0.38846%0.46SS..Hα-helixtrans-61.6-42.1174.800000111.5A327 L328 I329 R334 R335A327-A331 PolarHBondContact O-N 3.34Å; L328-A331 PolarHBondContact O-N 2.84Å; I329-A331 PolarHBondContact O-N 3.11Å; A331-R334 PolarHBondContact O-N 3.37Å; A331-R335 PolarHBondContact O-N 3.4Å
332L94.8Very high95.7Very high88 Ų8887.1 Ų87.146%0.46147%0.469SS..Hα-helixtrans-65.6-42177-172.960.2000111.9L328 I329 D330 R335 K336 L427L328-L332 PolarHBondContact O-N 2.86Å; I329-L332 WeakPolarHBondContact O-CB 3.3Å; I329-L332 PolarHBondContact O-N 3.48Å; D330-L332 VanDerWaalsContact C-N 3.32Å; D330-L332 PolarHBondContact O-N 3.24Å; L332-R335 PolarHBondContact O-N 3.46Å; L332-K336 WeakPolarHBondContact O-CB 3.42Å; L332-K336 PolarHBondContact O-N 3.32Å; L332-L427 HydrophobicContact CD1-CD2 3.8Å
333N96.8Very high95.7Very high82 Ų8286.5 Ų86.544%0.43947%0.465SS..Hα-helixtrans-63.2-41.3175.9-80.2-37.1000112.1I329 D330 R335 K336 A337I329-N333 WeakPolarHBondContact O-CB 3.39Å; I329-N333 PolarHBondContact O-N 3.05Å; I329-N333 PolarHBondContact O-ND2 3.27Å; D330-N333 PolarHBondContact O-N 3.02Å; N333-R335 VanDerWaalsContact C-N 3.34Å; N333-R335 PolarHBondContact O-N 3.36Å; N333-K336 WeakPolarHBondContact O-CB 3.27Å; N333-K336 PolarHBondContact O-N 3.21Å; N333-A337 PolarHBondContact O-N 2.86Å
334R97.1Very high95.8Very high146 Ų14688.2 Ų88.255%0.55147%0.467SS*.Hα-helixtrans-59.9-44.3172.5-75.6-174.1-73.2-95.80.9111.4D330 A331 A337 Q338D330-R334 WeakPolarHBondContact O-CG 3.25Å; D330-R334 PolarHBondContact O-N 3.05Å; A331-R334 PolarHBondContact O-N 3.37Å; R334-A337 PolarHBondContact O-N 3.3Å; R334-Q338 WeakPolarHBondContact O-CG 3.45Å; R334-Q338 PolarHBondContact O-N 2.84Å
335R95.9Very high95.9Very high134 Ų13490 Ų9051%0.50647%0.472SS..Hα-helixtrans-64-42.5177.5-177.256.7176.2173.60.2112.1A331 L332 N333 A337 Q338 L339A331-R335 PolarHBondContact O-N 3.4Å; L332-R335 PolarHBondContact O-N 3.46Å; N333-R335 VanDerWaalsContact C-N 3.34Å; N333-R335 PolarHBondContact O-N 3.36Å; R335-A337 VanDerWaalsContact C-N 3.33Å; R335-A337 PolarHBondContact O-N 2.92Å; R335-Q338 WeakPolarHBondContact O-CB 3.42Å; R335-Q338 PolarHBondContact O-N 2.77Å; R335-L339 HydrophobicContact CG-CD1 4.28Å; R335-L339 WeakPolarHBondContact O-CG 3.48Å; R335-L339 PolarHBondContact O-N 3.29Å
336K96Very high95.9Very high127 Ų12790.5 Ų90.555%0.55247%0.47SS*.Hα-helixtrans-56-46.5174.1176.6-176.2174.6-177.90111.6L332 N333 Q338 L339 L340L332-K336 WeakPolarHBondContact O-CB 3.42Å; L332-K336 PolarHBondContact O-N 3.32Å; N333-K336 WeakPolarHBondContact O-CB 3.27Å; N333-K336 PolarHBondContact O-N 3.21Å; K336-Q338 VanDerWaalsContact C-N 3.33Å; K336-Q338 PolarHBondContact O-N 3.18Å; K336-L339 PolarHBondContact O-N 3.4Å; K336-L340 HydrophobicContact CG-CD1 4.17Å; K336-L340 WeakPolarHBondContact O-CG 3.34Å; K336-L340 PolarHBondContact O-N 3.47Å
337A97.6Very high95.9Very high59 Ų5990.5 Ų90.549%0.48847%0.467SS..Hα-helixtrans-61.1-40.5178.400000112.3N333 R334 R335 L340 A341N333-A337 PolarHBondContact O-N 2.86Å; R334-A337 PolarHBondContact O-N 3.3Å; R335-A337 VanDerWaalsContact C-N 3.33Å; R335-A337 PolarHBondContact O-N 2.92Å; A337-L340 PolarHBondContact O-N 2.91Å; A337-A341 PolarHBondContact O-N 3.2Å
338Q96.9Very high96Very high115 Ų11594.2 Ų94.254%0.53748%0.475SS..Hα-helixtrans-63.1-44175.5-68.2173.2-5.800112.4R334 R335 K336 A341 Q342R334-Q338 WeakPolarHBondContact O-CG 3.45Å; R334-Q338 PolarHBondContact O-N 2.84Å; R335-Q338 WeakPolarHBondContact O-CB 3.42Å; R335-Q338 PolarHBondContact O-N 2.77Å; K336-Q338 VanDerWaalsContact C-N 3.33Å; K336-Q338 PolarHBondContact O-N 3.18Å; Q338-A341 WeakPolarHBondContact O-CB 3.33Å; Q338-A341 PolarHBondContact O-N 3.11Å; Q338-Q342 PolarHBondContact O-N 3.35Å; Q338-Q342 VanDerWaalsContact O-N 3.11Å
339L96.3Very high96Very high50 Ų5094 Ų9426%0.26247%0.471SS..Hα-helixtrans-63.7-42.6178.1-68.5170.7000111.4R335 K336 A341 Q342 V343 L422R335-L339 HydrophobicContact CG-CD1 4.28Å; R335-L339 WeakPolarHBondContact O-CG 3.48Å; R335-L339 PolarHBondContact O-N 3.29Å; K336-L339 PolarHBondContact O-N 3.4Å; L339-A341 VanDerWaalsContact C-N 3.32Å; L339-A341 PolarHBondContact O-N 3.39Å; L339-Q342 WeakPolarHBondContact O-CB 3.45Å; L339-Q342 PolarHBondContact O-N 3.13Å; L339-V343 PolarHBondContact O-N 3.16Å; L339-L422 HydrophobicContact CD1-CD1 3.99Å
340L96.8Very high95.9Very high94 Ų9490.5 Ų90.549%0.49245%0.453SS..Hα-helixtrans-62.5-38.6174.9-72.4173000112.3K336 A337 Q342 V343 N344K336-L340 HydrophobicContact CG-CD1 4.17Å; K336-L340 WeakPolarHBondContact O-CG 3.34Å; K336-L340 PolarHBondContact O-N 3.47Å; A337-L340 PolarHBondContact O-N 2.91Å; L340-Q342 VanDerWaalsContact C-N 3.29Å; L340-Q342 PolarHBondContact O-N 2.82Å; L340-V343 PolarHBondContact O-N 3.03Å; L340-N344 PolarHBondContact O-N 3.48Å
341A96.8Very high95.9Very high61 Ų6189.4 Ų89.450%0.50445%0.447SS..Hα-helixtrans-62.4-3717500000112A337 Q338 L339 N344 K345A337-A341 PolarHBondContact O-N 3.2Å; Q338-A341 WeakPolarHBondContact O-CB 3.33Å; Q338-A341 PolarHBondContact O-N 3.11Å; L339-A341 VanDerWaalsContact C-N 3.32Å; L339-A341 PolarHBondContact O-N 3.39Å; A341-N344 PolarHBondContact O-N 3.36Å; A341-K345 WeakPolarHBondContact O-CB 3.46Å; A341-K345 PolarHBondContact O-N 3.37Å
342Q94.8Very high96Very high114 Ų11493.3 Ų93.353%0.53346%0.455SS..Hα-helixtrans-66.7-42.8175.4-173.8173.8-12.600112Q338 L339 L340 K345 E346Q338-Q342 PolarHBondContact O-N 3.35Å; Q338-Q342 VanDerWaalsContact O-N 3.11Å; L339-Q342 WeakPolarHBondContact O-CB 3.45Å; L339-Q342 PolarHBondContact O-N 3.13Å; L340-Q342 VanDerWaalsContact C-N 3.29Å; L340-Q342 PolarHBondContact O-N 2.82Å; Q342-K345 PolarHBondContact O-N 3.29Å; Q342-E346 PolarHBondContact O-N 3.44Å; Q342-E346 VanDerWaalsContact O-N 3.08Å
343V96Very high96Very high56 Ų5690.9 Ų90.934%0.33944%0.443SS..Hα-helixtrans-60.8-45.7174.2174.40000110.9L339 L340 K345 E346 H347 F418 L420L339-V343 PolarHBondContact O-N 3.16Å; L340-V343 PolarHBondContact O-N 3.03Å; V343-K345 VanDerWaalsContact C-N 3.33Å; V343-K345 PolarHBondContact O-N 2.9Å; V343-E346 PolarHBondContact O-N 2.91Å; V343-H347 WeakPolarHBondContact O-CB 3.42Å; V343-H347 PolarHBondContact O-N 3.26Å; V343-F418 HydrophobicContact CG1-CD1 4.47Å; V343-F418 HydrophobicContact CG1-CE1 4.19Å; V343-L420 HydrophobicContact CG2-CD1 4.02Å
344N96.1Very high95.8Very high93 Ų9389.9 Ų89.950%0.49744%0.44SS..Hα-helixtrans-62.1-40177.9-78.3-16.9000112.2L340 A341 H347 E348L340-N344 PolarHBondContact O-N 3.48Å; A341-N344 PolarHBondContact O-N 3.36Å; N344-H347 WeakPolarHBondContact O-CB 3.48Å; N344-H347 PolarHBondContact O-N 3.48Å; N344-E348 WeakPolarHBondContact O-CB 3.19Å; N344-E348 WeakPolarHBondContact O-CG 3.43Å; N344-E348 PolarHBondContact O-N 3.01Å
345K95.6Very high95.8Very high158 Ų15890.2 Ų90.269%0.68744%0.441SS*.Hα-helixtrans-62.8-43.1176.8-173.2180179.1-177.20112A341 Q342 V343 E348 H349A341-K345 WeakPolarHBondContact O-CB 3.46Å; A341-K345 PolarHBondContact O-N 3.37Å; Q342-K345 PolarHBondContact O-N 3.29Å; V343-K345 VanDerWaalsContact C-N 3.33Å; V343-K345 PolarHBondContact O-N 2.9Å; K345-E348 PolarHBondContact O-N 3.5Å; K345-H349 WeakPolarHBondContact O-CB 3.47Å; K345-H349 PolarHBondContact O-N 3.41Å
346E94Very high95.7Very high62 Ų6288.4 Ų88.429%0.2944%0.442SS..Hα-helixtrans-65.2-42.6176-177.258.7-157.200111.3Q342 V343 H349 K350 F418Q342-E346 PolarHBondContact O-N 3.44Å; Q342-E346 VanDerWaalsContact O-N 3.08Å; V343-E346 PolarHBondContact O-N 2.91Å; E346-H349 PolarHBondContact O-N 2.6Å; E346-K350 HydrophobicContact CG-CD 4.21Å; E346-K350 WeakPolarHBondContact O-CB 3.42Å; E346-K350 WeakPolarHBondContact O-CG 3.46Å; E346-K350 PolarHBondContact O-N 2.89Å; E346-K350 WeakPolarHBondContact OE1-CE 3.46Å; E346-F418 HydrophobicContact CB-CD1 4.47Å; E346-F418 HydrophobicContact CB-CE1 4.18Å; E346-F418 HydrophobicContact CG-CD1 4.06Å; E346-F418 HydrophobicContact CG-CE1 4.04Å
347H95.4Very high95.6Very high82 Ų8283.5 Ų83.538%0.3842%0.421SS..Hα-helixtrans-58-49.7175174.4-109.4000112V343 N344 H349 K350 L351 F418V343-H347 WeakPolarHBondContact O-CB 3.42Å; V343-H347 PolarHBondContact O-N 3.26Å; N344-H347 WeakPolarHBondContact O-CB 3.48Å; N344-H347 PolarHBondContact O-N 3.48Å; H347-H349 VanDerWaalsContact C-N 3.33Å; H347-H349 PolarHBondContact O-N 2.94Å; H347-K350 PolarHBondContact O-N 2.97Å; H347-L351 WeakPolarHBondContact CE1-CD1 3.21Å; H347-L351 WeakPolarHBondContact NE2-CD1 3.39Å; H347-L351 WeakPolarHBondContact O-CB 3.27Å; H347-L351 WeakPolarHBondContact O-CG 3.25Å; H347-L351 PolarHBondContact O-N 2.94Å; H347-F418 HydrophobicContact CB-CE1 4.02Å; H347-F418 HydrophobicContact CB-CZ 3.73Å
348E96.6Very high95.4Very high133 Ų13385.6 Ų85.662%0.62142%0.423SS*.Hα-helixtrans-62.7-40.2177.6-75.4-179.6177.900112.1N344 K345 K352N344-E348 WeakPolarHBondContact O-CB 3.19Å; N344-E348 WeakPolarHBondContact O-CG 3.43Å; N344-E348 PolarHBondContact O-N 3.01Å; K345-E348 PolarHBondContact O-N 3.5Å; E348-K352 VanDerWaalsContact O-CB 3.3Å; E348-K352 WeakPolarHBondContact O-CB 3.08Å; E348-K352 PolarHBondContact O-N 2.85Å
349H95Very high95.3Very high97 Ų9783.5 Ų83.545%0.44942%0.421SS..Hα-helixtrans-62.6-51.4177-178.760.9000111.7K345 E346 H347 L351 K352 V353K345-H349 WeakPolarHBondContact O-CB 3.47Å; K345-H349 PolarHBondContact O-N 3.41Å; E346-H349 PolarHBondContact O-N 2.6Å; H347-H349 VanDerWaalsContact C-N 3.33Å; H347-H349 PolarHBondContact O-N 2.94Å; H349-L351 PolarHBondContact O-N 2.9Å; H349-K352 WeakPolarHBondContact O-CB 2.94Å; H349-K352 PolarHBondContact O-N 3.39Å; H349-K352 VanDerWaalsContact O-N 3.17Å; H349-V353 WeakPolarHBondContact O-CG2 3.41Å; H349-V353 PolarHBondContact O-N 3.34Å
350K94.9Very high95.1Very high18 Ų1885.8 Ų85.88%0.07843%0.43CS..Hα-helixtrans-55.1-49.5176-78.2174.6172.8-100.40111.5E346 H347 K352 V353 V354 M414 T415 D417E346-K350 HydrophobicContact CG-CD 4.21Å; E346-K350 WeakPolarHBondContact O-CB 3.42Å; E346-K350 WeakPolarHBondContact O-CG 3.46Å; E346-K350 PolarHBondContact O-N 2.89Å; E346-K350 WeakPolarHBondContact OE1-CE 3.46Å; H347-K350 PolarHBondContact O-N 2.97Å; K350-K352 VanDerWaalsContact C-N 3.33Å; K350-K352 PolarHBondContact O-N 3.49Å; K350-V353 PolarHBondContact O-N 2.91Å; K350-V354 WeakPolarHBondContact O-CG2 3.21Å; K350-V354 PolarHBondContact O-N 3.44Å; K350-V354 VanDerWaalsContact O-N 3.07Å; K350-M414 HydrophobicContact CB-CG 4.23Å; K350-M414 HydrophobicContact CD-CE 4.13Å; K350-M414 HydrophobicContact CG-CE 3.47Å; K350-M414 VanDerWaalsContact CG-CE 3.47Å; K350-M414 HydrophobicContact CG-CG 3.76Å; K350-M414 HydrophobicContact CG-SD 4.38Å; K350-T415 PolarHBondContact NZ-O 3.08Å; K350-T415 PolarHBondContact NZ-OG1 3.34Å; K350-D417 PolarHBondContact NZ-O 2.92Å
351L95.7Very high94.8Very high62 Ų6282.7 Ų82.733%0.32542%0.416SS..Hα-helixtrans-61-41.4178.1-77.7179.4000112.3H347 H349 V354 R355H347-L351 WeakPolarHBondContact CE1-CD1 3.21Å; H347-L351 WeakPolarHBondContact NE2-CD1 3.39Å; H347-L351 WeakPolarHBondContact O-CB 3.27Å; H347-L351 WeakPolarHBondContact O-CG 3.25Å; H347-L351 PolarHBondContact O-N 2.94Å; H349-L351 PolarHBondContact O-N 2.9Å; L351-V354 PolarHBondContact O-N 3.18Å; L351-R355 WeakPolarHBondContact O-CB 3.29Å; L351-R355 VanDerWaalsContact O-CG 3.26Å; L351-R355 WeakPolarHBondContact O-CG 3.44Å; L351-R355 PolarHBondContact O-N 2.98Å
352K96.3Very high94.7Very high128 Ų12883.8 Ų83.856%0.55742%0.416SS*.Hα-helixtrans-61.5-49177.5-175.1178.6178.4-178.20111.2E348 H349 K350 V354 R355 D356E348-K352 VanDerWaalsContact O-CB 3.3Å; E348-K352 WeakPolarHBondContact O-CB 3.08Å; E348-K352 PolarHBondContact O-N 2.85Å; H349-K352 WeakPolarHBondContact O-CB 2.94Å; H349-K352 PolarHBondContact O-N 3.39Å; H349-K352 VanDerWaalsContact O-N 3.17Å; K350-K352 VanDerWaalsContact C-N 3.33Å; K350-K352 PolarHBondContact O-N 3.49Å; K352-V354 VanDerWaalsContact C-N 3.33Å; K352-V354 PolarHBondContact O-N 3.05Å; K352-R355 PolarHBondContact O-N 2.79Å; K352-D356 WeakPolarHBondContact O-CB 3.43Å; K352-D356 VanDerWaalsContact O-CG 3.22Å; K352-D356 PolarHBondContact O-N 3.4Å
353V94.9Very high94.6Very high37 Ų3782 Ų8222%0.22441%0.413CS..Hα-helixtrans-58.5-44.8179.2173.60000111.5H349 K350 Q357 R413 M414H349-V353 WeakPolarHBondContact O-CG2 3.41Å; H349-V353 PolarHBondContact O-N 3.34Å; K350-V353 PolarHBondContact O-N 2.91Å; V353-Q357 WeakPolarHBondContact O-CB 3.26Å; V353-Q357 PolarHBondContact O-N 3Å; V353-R413 HydrophobicContact CG1-CB 4.18Å; V353-M414 HydrophobicContact CG1-CB 4.13Å
354V94.3Very high94.4Very high62 Ų6280.3 Ų80.338%0.37640%0.401SS..Hα-helixtrans-68.3-43.5179.5175.50000111.5K350 L351 K352 D356 Q357 I358 M414K350-V354 WeakPolarHBondContact O-CG2 3.21Å; K350-V354 PolarHBondContact O-N 3.44Å; K350-V354 VanDerWaalsContact O-N 3.07Å; L351-V354 PolarHBondContact O-N 3.18Å; K352-V354 VanDerWaalsContact C-N 3.33Å; K352-V354 PolarHBondContact O-N 3.05Å; V354-D356 PolarHBondContact O-N 2.78Å; V354-Q357 PolarHBondContact O-N 3.18Å; V354-I358 HydrophobicContact CG1-CD1 4.05Å; V354-I358 WeakPolarHBondContact O-CG1 3.24Å; V354-I358 PolarHBondContact O-N 3.28Å; V354-M414 HydrophobicContact CG2-CB 4.18Å
355R95.8Very high94.2Very high152 Ų15280.6 Ų80.657%0.57440%0.402SS*.Hα-helixtrans-62-42.1176.4-74.9179.5-160.7140.5-0.7112.2L351 K352 Q357 I358 S359L351-R355 WeakPolarHBondContact O-CB 3.29Å; L351-R355 VanDerWaalsContact O-CG 3.26Å; L351-R355 WeakPolarHBondContact O-CG 3.44Å; L351-R355 PolarHBondContact O-N 2.98Å; K352-R355 PolarHBondContact O-N 2.79Å; R355-Q357 VanDerWaalsContact C-N 3.31Å; R355-Q357 PolarHBondContact O-N 2.92Å; R355-I358 PolarHBondContact O-N 3.25Å; R355-S359 PolarHBondContact O-N 3.14Å
356D94.8Very high94.2Very high96 Ų9683 Ų8351%0.51341%0.407SS..Hα-helixtrans-63.6-39.7177.2-70.5-14.8000110.7K352 V354 S359 H360K352-D356 WeakPolarHBondContact O-CB 3.43Å; K352-D356 VanDerWaalsContact O-CG 3.22Å; K352-D356 PolarHBondContact O-N 3.4Å; V354-D356 PolarHBondContact O-N 2.78Å; D356-S359 PolarHBondContact O-N 3.21Å; D356-H360 WeakPolarHBondContact O-CB 3.22Å; D356-H360 PolarHBondContact O-N 3.04Å
357Q92.4Very high94.1Very high25 Ų2586.1 Ų86.112%0.11742%0.422CS..Hα-helixtrans-64.8-42.8174.1-171.8170.614.300112.3V353 V354 R355 S359 H360 C361 T411V353-Q357 WeakPolarHBondContact O-CB 3.26Å; V353-Q357 PolarHBondContact O-N 3Å; V354-Q357 PolarHBondContact O-N 3.18Å; R355-Q357 VanDerWaalsContact C-N 3.31Å; R355-Q357 PolarHBondContact O-N 2.92Å; Q357-S359 PolarHBondContact O-N 2.86Å; Q357-H360 PolarHBondContact O-N 3.45Å; Q357-C361 WeakPolarHBondContact O-CB 3.37Å; Q357-C361 PolarHBondContact O-N 3.3Å; Q357-C361 PolarHBondContact O-SG 3.41Å; Q357-C361 VanDerWaalsContact O-SG 3.4Å; Q357-T411 PolarHBondContact NE2-O 3.32Å
358I93.4Very high94Very high102 Ų10284.1 Ų84.152%0.52342%0.415SS..Hα-helixtrans-59.1-47.6175-70.2167.2000110.5V354 R355 H360 C361 T362V354-I358 HydrophobicContact CG1-CD1 4.05Å; V354-I358 WeakPolarHBondContact O-CG1 3.24Å; V354-I358 PolarHBondContact O-N 3.28Å; R355-I358 PolarHBondContact O-N 3.25Å; I358-H360 PolarHBondContact O-N 3.29Å; I358-C361 PolarHBondContact O-N 2.95Å; I358-T362 WeakPolarHBondContact O-CB 2.9Å; I358-T362 PolarHBondContact O-N 3.45Å; I358-T362 PolarHBondContact O-OG1 3.02Å
359S95.1Very high93.9Very high71 Ų7180.3 Ų80.350%0.49740%0.401SS..Hα-helixtrans-59.7-47.5178.9-175.80000111.5R355 D356 Q357 C361 T362 V363R355-S359 PolarHBondContact O-N 3.14Å; D356-S359 PolarHBondContact O-N 3.21Å; Q357-S359 PolarHBondContact O-N 2.86Å; S359-C361 PolarHBondContact O-N 2.92Å; S359-T362 PolarHBondContact O-N 3.46Å; S359-V363 WeakPolarHBondContact O-CG2 3.46Å; S359-V363 PolarHBondContact O-N 3.25Å
360H91.8Very high94Very high98 Ų9877.2 Ų77.245%0.45440%0.396SS..Hα-helixtrans-60.1-48.3178.4-176.374000112.5D356 Q357 I358 T362 V363 K364D356-H360 WeakPolarHBondContact O-CB 3.22Å; D356-H360 PolarHBondContact O-N 3.04Å; Q357-H360 PolarHBondContact O-N 3.45Å; I358-H360 PolarHBondContact O-N 3.29Å; H360-T362 VanDerWaalsContact C-N 3.32Å; H360-T362 PolarHBondContact O-N 2.95Å; H360-V363 PolarHBondContact O-N 3.44Å; H360-K364 WeakPolarHBondContact O-CB 3.4Å; H360-K364 PolarHBondContact O-N 3.4Å; H360-K364 VanDerWaalsContact O-N 3.08Å
361C91.9Very high94Very high30 Ų3077.3 Ų77.320%0.20340%0.397CS..Hα-helixtrans-62.8-38.7177.5-71.50000111.9Q357 I358 S359 K364 L365Q357-C361 WeakPolarHBondContact O-CB 3.37Å; Q357-C361 PolarHBondContact O-N 3.3Å; Q357-C361 PolarHBondContact O-SG 3.41Å; Q357-C361 VanDerWaalsContact O-SG 3.4Å; I358-C361 PolarHBondContact O-N 2.95Å; S359-C361 PolarHBondContact O-N 2.92Å; C361-K364 PolarHBondContact O-N 3.02Å; C361-L365 VanDerWaalsContact O-CB 3.25Å; C361-L365 WeakPolarHBondContact O-CB 3.5Å; C361-L365 PolarHBondContact O-N 3.47Å
362T93.6Very high94Very high83 Ų8379.7 Ų79.751%0.50941%0.408SS..Hα-helixtrans-64.1-46179.1-57.50000111.7I358 S359 H360 L365 R366I358-T362 WeakPolarHBondContact O-CB 2.9Å; I358-T362 PolarHBondContact O-N 3.45Å; I358-T362 PolarHBondContact O-OG1 3.02Å; S359-T362 PolarHBondContact O-N 3.46Å; H360-T362 VanDerWaalsContact C-N 3.32Å; H360-T362 PolarHBondContact O-N 2.95Å; T362-L365 PolarHBondContact O-N 2.88Å; T362-R366 PolarHBondContact O-N 2.92Å
363V93.4Very high94Very high76 Ų7679.3 Ų79.346%0.46141%0.408SS..Hα-helixtrans-62.6-46.4177.4172.20000110.8S359 H360 L365 R366 Q367S359-V363 WeakPolarHBondContact O-CG2 3.46Å; S359-V363 PolarHBondContact O-N 3.25Å; H360-V363 PolarHBondContact O-N 3.44Å; V363-L365 PolarHBondContact O-N 3.03Å; V363-R366 PolarHBondContact O-N 3.29Å; V363-Q367 WeakPolarHBondContact O-CG 3.25Å; V363-Q367 PolarHBondContact O-N 3.23Å
364K91.1Very high94.1Very high21 Ų2182.9 Ų82.99%0.09142%0.418CS..Hα-helixtrans-64.8-38.5-180-165.7176-174.9167.40112.4H360 C361 Q367 T368 Q404 W405 T409H360-K364 WeakPolarHBondContact O-CB 3.4Å; H360-K364 PolarHBondContact O-N 3.4Å; H360-K364 VanDerWaalsContact O-N 3.08Å; C361-K364 PolarHBondContact O-N 3.02Å; K364-Q367 PolarHBondContact O-N 3Å; K364-T368 WeakPolarHBondContact O-CB 3.18Å; K364-T368 PolarHBondContact O-N 2.95Å; K364-T368 PolarHBondContact O-OG1 3.13Å; K364-Q404 VanDerWaalsContact NZ-C 3.28Å; K364-Q404 PolarHBondContact NZ-O 3.34Å; K364-W405 HydrophobicContact CB-CH2 4.24Å; K364-W405 HydrophobicContact CB-CZ2 4.11Å; K364-W405 HydrophobicContact CD-CD2 4.32Å; K364-W405 HydrophobicContact CD-CE3 4.49Å; K364-W405 HydrophobicContact CD-CH2 4.37Å; K364-W405 HydrophobicContact CD-CZ2 4.19Å; K364-W405 HydrophobicContact CG-CH2 4.21Å; K364-W405 HydrophobicContact CG-CZ2 3.74Å; K364-T409 HydrophobicContact CD-CG2 4.3Å; K364-T409 PolarHBondContact NZ-OG1 3.49Å
365L92.5Very high94.1Very high100 Ų10081 Ų8152%0.52441%0.407SS..Hα-helixtrans-60.6-51173.8-173.563.9000110.6C361 T362 V363 Q367 T368 T369 W405C361-L365 VanDerWaalsContact O-CB 3.25Å; C361-L365 WeakPolarHBondContact O-CB 3.5Å; C361-L365 PolarHBondContact O-N 3.47Å; T362-L365 PolarHBondContact O-N 2.88Å; V363-L365 PolarHBondContact O-N 3.03Å; L365-Q367 VanDerWaalsContact C-N 3.32Å; L365-Q367 PolarHBondContact O-N 3.3Å; L365-T368 PolarHBondContact O-N 3.38Å; L365-T368 VanDerWaalsContact O-N 3.11Å; L365-T369 PolarHBondContact O-N 3.09Å; L365-T369 PolarHBondContact O-OG1 3.28Å; L365-T369 VanDerWaalsContact O-OG1 3.05Å; L365-W405 HydrophobicContact CB-CH2 4.16Å; L365-W405 HydrophobicContact CB-CZ2 4.38Å; L365-W405 HydrophobicContact CD1-CH2 4.34Å; L365-W405 HydrophobicContact CD1-CZ2 4.39Å
366R94.8Very high94.1Very high209 Ų20978.4 Ų78.479%0.78940%0.404SS*.Hα-helixtrans-57.3-43.1177.5-176.5179.3176.5175.80112.5T362 V363 G370T362-R366 PolarHBondContact O-N 2.92Å; V363-R366 PolarHBondContact O-N 3.29Å; R366-G370 PolarHBondContact O-N 3.38Å
367Q92.7Very high94.1Very high127 Ų12779.1 Ų79.159%0.59341%0.405SS*.Hα-helixtrans-63.7-41.5176.7-72.8173.5-11.800112.1V363 K364 L365 L371V363-Q367 WeakPolarHBondContact O-CG 3.25Å; V363-Q367 PolarHBondContact O-N 3.23Å; K364-Q367 PolarHBondContact O-N 3Å; L365-Q367 VanDerWaalsContact C-N 3.32Å; L365-Q367 PolarHBondContact O-N 3.3Å; Q367-L371 WeakPolarHBondContact O-CB 3.25Å; Q367-L371 PolarHBondContact O-N 3.23Å
368T93.2Very high94.2Very high39 Ų3978.8 Ų78.824%0.23940%0.404CS..Hα-helixtrans-66.7-44.6178.4-54.80000111K364 L365 L371 M372 T401 W405K364-T368 WeakPolarHBondContact O-CB 3.18Å; K364-T368 PolarHBondContact O-N 2.95Å; K364-T368 PolarHBondContact O-OG1 3.13Å; L365-T368 PolarHBondContact O-N 3.38Å; L365-T368 VanDerWaalsContact O-N 3.11Å; T368-L371 PolarHBondContact O-N 3.44Å; T368-M372 WeakPolarHBondContact O-CB 3.23Å; T368-M372 PolarHBondContact O-N 2.83Å; T368-T401 HydrophobicContact CG2-CG2 4.27Å; T368-W405 PolarHBondContact OG1-NE1 3.33Å
369T95.2Very high94.3Very high53 Ų5379.5 Ų79.533%0.32541%0.408SS..Hα-helixtrans-59.9-47.1175.9-55.80000111.3L365 L371 M372 E373L365-T369 PolarHBondContact O-N 3.09Å; L365-T369 PolarHBondContact O-OG1 3.28Å; L365-T369 VanDerWaalsContact O-OG1 3.05Å; T369-L371 PolarHBondContact O-N 3.23Å; T369-M372 WeakPolarHBondContact O-CB 3.34Å; T369-M372 PolarHBondContact O-N 3.18Å; T369-E373 WeakPolarHBondContact O-CG 3.27Å; T369-E373 PolarHBondContact O-N 2.86Å
370G96.2Very high94.3Very high33 Ų3382.1 Ų82.134%0.3441%0.41SS..Hα-helixtrans-64.3-37.5178.100000113.4R366 M372 Y374R366-G370 PolarHBondContact O-N 3.38Å; G370-M372 VanDerWaalsContact C-N 3.35Å; G370-Y374 WeakPolarHBondContact O-CB 3.48Å; G370-Y374 PolarHBondContact O-N 2.83Å
371L95.8Very high94.4Very high20 Ų2082.6 Ų82.611%0.10541%0.413CS..Hα-helixtrans-64.1-4217317861.2000111.3Q367 T368 T369 Y374 C375 L394 V398 T401Q367-L371 WeakPolarHBondContact O-CB 3.25Å; Q367-L371 PolarHBondContact O-N 3.23Å; T368-L371 PolarHBondContact O-N 3.44Å; T369-L371 PolarHBondContact O-N 3.23Å; L371-Y374 PolarHBondContact O-N 3.06Å; L371-C375 PolarHBondContact O-N 2.86Å; L371-C375 PolarHBondContact O-SG 3.43Å; L371-L394 HydrophobicContact CD1-CD2 4.27Å; L371-V398 HydrophobicContact CD2-CG2 4.22Å; L371-V398 HydrophobicContact CG-CG2 4.41Å; L371-T401 HydrophobicContact CD2-CG2 4.41Å; L371-T401 WeakPolarHBondContact CD2-OG1 3.4Å
372M94.9Very high94.5Very high111 Ų11188.5 Ų88.555%0.54744%0.442SS..Hα-helixtrans-62.9-48.5178.5-173.7173.368.500111.3T368 T369 G370 Y374 C375 L376T368-M372 WeakPolarHBondContact O-CB 3.23Å; T368-M372 PolarHBondContact O-N 2.83Å; T369-M372 WeakPolarHBondContact O-CB 3.34Å; T369-M372 PolarHBondContact O-N 3.18Å; G370-M372 VanDerWaalsContact C-N 3.35Å; M372-Y374 VanDerWaalsContact C-N 3.33Å; M372-Y374 PolarHBondContact O-N 3.28Å; M372-C375 PolarHBondContact O-N 2.88Å; M372-L376 HydrophobicContact CG-CD1 4.36Å; M372-L376 VanDerWaalsContact O-CG 3.31Å; M372-L376 WeakPolarHBondContact O-CG 3.32Å; M372-L376 PolarHBondContact O-N 3.27Å
373E96.1Very high94.5Very high121 Ų12188 Ų8857%0.56544%0.436SS*.Hα-helixtrans-58.2-43.7175.5-72172.4176.300111.9T369 L376 E377T369-E373 WeakPolarHBondContact O-CG 3.27Å; T369-E373 PolarHBondContact O-N 2.86Å; E373-L376 PolarHBondContact O-N 3.09Å; E373-E377 PolarHBondContact O-N 3.41Å
374Y96.3Very high94.5Very high112 Ų11289 Ų8944%0.43944%0.444SS..Hα-helixtrans-63.2-44.1176.2177.5-124.8000112.5G370 L371 M372 L376 E377 V378 L394G370-Y374 WeakPolarHBondContact O-CB 3.48Å; G370-Y374 PolarHBondContact O-N 2.83Å; L371-Y374 PolarHBondContact O-N 3.06Å; M372-Y374 VanDerWaalsContact C-N 3.33Å; M372-Y374 PolarHBondContact O-N 3.28Å; Y374-L376 VanDerWaalsContact C-N 3.32Å; Y374-L376 PolarHBondContact O-N 3.38Å; Y374-E377 PolarHBondContact O-N 3.2Å; Y374-V378 HydrophobicContact CD2-CG2 4.12Å; Y374-V378 HydrophobicContact CE1-CG2 4.33Å; Y374-V378 HydrophobicContact CE2-CG2 3.65Å; Y374-V378 WeakPolarHBondContact O-CG2 3.48Å; Y374-V378 PolarHBondContact O-N 2.94Å; Y374-L394 HydrophobicContact CD1-CD2 3.84Å; Y374-L394 HydrophobicContact CE1-CD1 4.15Å; Y374-L394 HydrophobicContact CE1-CD2 3.63Å; Y374-L394 HydrophobicContact CE1-CG 4.39Å
375C96Very high94.6Very high21 Ų2191.3 Ų91.314%0.14246%0.463CS..Hα-helixtrans-62.6-40.9176.6-66.10000111.4L371 M372 E377 V378 I379L371-C375 PolarHBondContact O-N 2.86Å; L371-C375 PolarHBondContact O-SG 3.43Å; M372-C375 PolarHBondContact O-N 2.88Å; C375-E377 VanDerWaalsContact C-N 3.3Å; C375-E377 PolarHBondContact O-N 3.41Å; C375-V378 PolarHBondContact O-N 2.82Å; C375-I379 WeakPolarHBondContact O-CD1 3.35Å; C375-I379 VanDerWaalsContact O-CG1 3.24Å; C375-I379 WeakPolarHBondContact O-CG1 3.36Å; C375-I379 PolarHBondContact O-N 3.32Å
376L94.9Very high94.6Very high98 Ų9887.7 Ų87.751%0.51345%0.451SS..Hα-helixtrans-62.4-36.2176.1-72.2172.5000112.4M372 E373 Y374M372-L376 HydrophobicContact CG-CD1 4.36Å; M372-L376 VanDerWaalsContact O-CG 3.31Å; M372-L376 WeakPolarHBondContact O-CG 3.32Å; M372-L376 PolarHBondContact O-N 3.27Å; E373-L376 PolarHBondContact O-N 3.09Å; Y374-L376 VanDerWaalsContact C-N 3.32Å; Y374-L376 PolarHBondContact O-N 3.38Å
377E95.4Very high94.7Very high112 Ų11281.1 Ų81.152%0.52343%0.428SS..Hα-helixtrans-70.7-43.7175.9-161.660.1-149.800111.8E373 Y374 C375 I379 K380E373-E377 PolarHBondContact O-N 3.41Å; Y374-E377 PolarHBondContact O-N 3.2Å; C375-E377 VanDerWaalsContact C-N 3.3Å; C375-E377 PolarHBondContact O-N 3.41Å; E377-I379 VanDerWaalsContact C-N 3.26Å; E377-I379 PolarHBondContact O-N 2.88Å; E377-K380 WeakPolarHBondContact O-CB 3.45Å; E377-K380 PolarHBondContact O-N 3.48Å; E377-K380 IonicContact OE1-NZ 3.6Å; E377-K380 IonicContact OE2-NZ 2.69Å; E377-K380 PolarHBondContact OE2-NZ 2.91Å
378V95.1Very high94.8Very high18 Ų1880.8 Ų80.811%0.10943%0.429CS..Hα-helixtrans-61.1-33.4177.31690000112.4Y374 C375 K380 E381 F387 I390 L394Y374-V378 HydrophobicContact CD2-CG2 4.12Å; Y374-V378 HydrophobicContact CE1-CG2 4.33Å; Y374-V378 HydrophobicContact CE2-CG2 3.65Å; Y374-V378 WeakPolarHBondContact O-CG2 3.48Å; Y374-V378 PolarHBondContact O-N 2.94Å; C375-V378 PolarHBondContact O-N 2.82Å; V378-K380 PolarHBondContact O-N 3.03Å; V378-E381 VanDerWaalsContact O-CB 3.25Å; V378-E381 WeakPolarHBondContact O-CB 3.43Å; V378-E381 PolarHBondContact O-N 3.33Å; V378-E381 VanDerWaalsContact O-N 3.13Å; V378-F387 HydrophobicContact CG1-CD2 4.13Å; V378-F387 HydrophobicContact CG1-CE2 4.22Å; V378-I390 HydrophobicContact CB-CD1 4.43Å; V378-I390 HydrophobicContact CG1-CD1 3.55Å; V378-I390 HydrophobicContact CG1-CG1 4.14Å; V378-I390 HydrophobicContact CG2-CD1 3.94Å; V378-L394 HydrophobicContact CB-CD1 4.16Å; V378-L394 HydrophobicContact CG1-CD1 3.84Å; V378-L394 HydrophobicContact CG2-CD1 4.01Å
379I95.1Very high94.8Very high116 Ų11686.4 Ų86.460%0.59545%0.453SS*.THydrogen-bonded Turntrans-62.9-21.6176.7-72.4163.8000112.4C375 E377 E381C375-I379 WeakPolarHBondContact O-CD1 3.35Å; C375-I379 VanDerWaalsContact O-CG1 3.24Å; C375-I379 WeakPolarHBondContact O-CG1 3.36Å; C375-I379 PolarHBondContact O-N 3.32Å; E377-I379 VanDerWaalsContact C-N 3.26Å; E377-I379 PolarHBondContact O-N 2.88Å; I379-E381 VanDerWaalsContact C-N 3.26Å; I379-E381 PolarHBondContact O-N 2.86Å
380K94.4Very high94.7Very high127 Ų12787 Ų8755%0.55245%0.454SS*.THydrogen-bonded Turntrans-80.1-4.2177.5-57.8172.5-173.11670113.6E377 V378 N382E377-K380 WeakPolarHBondContact O-CB 3.45Å; E377-K380 PolarHBondContact O-N 3.48Å; E377-K380 IonicContact OE1-NZ 3.6Å; E377-K380 IonicContact OE2-NZ 2.69Å; E377-K380 PolarHBondContact OE2-NZ 2.91Å; V378-K380 PolarHBondContact O-N 3.03Å; K380-N382 PolarHBondContact O-N 3.14Å
381E94.8Very high94.6Very high107 Ų10786 Ų8650%0.544%0.441SS..  trans-62.2131.8-179.6-174.651.6-11400111.1V378 I379 D383 F387V378-E381 VanDerWaalsContact O-CB 3.25Å; V378-E381 WeakPolarHBondContact O-CB 3.43Å; V378-E381 PolarHBondContact O-N 3.33Å; V378-E381 VanDerWaalsContact O-N 3.13Å; I379-E381 VanDerWaalsContact C-N 3.26Å; I379-E381 PolarHBondContact O-N 2.86Å; E381-D383 PolarHBondContact OE1-N 3.32Å; E381-F387 HydrophobicContact CB-CB 4.48Å; E381-F387 HydrophobicContact CG-CB 4.37Å
382N92.6Very high94.5Very high154 Ų15490 Ų9082%0.82446%0.462SS*.  trans-98.2-14.8-174.4-68.8-50.4000112.7K380 P384K380-N382 PolarHBondContact O-N 3.14Å; N382-P384 WeakPolarHBondContact O-CD 3.34Å
383D95Very high94.5Very high72 Ų7286.8 Ų86.839%0.38545%0.454SS..  trans-85.7114.4172.6176.235000111.9E381 S385 G386 F387E381-D383 PolarHBondContact OE1-N 3.32Å; D383-S385 PolarHBondContact O-N 2.97Å; D383-S385 PolarHBondContact OD1-N 3.27Å; D383-S385 PolarHBondContact OD1-OG 3.45Å; D383-S385 PolarHBondContact OD2-OG 2.89Å; D383-G386 PolarHBondContact O-N 3.26Å; D383-G386 PolarHBondContact OD2-N 3.44Å; D383-F387 PolarHBondContact O-N 2.9Å; D383-F387 VanDerWaalsContact O-N 3.11Å
384P93Very high94.5Very high97 Ų9781.6 Ų81.663%0.6343%0.43SS*.Hα-helixtrans-59.9-31.1179-23.534.4000113.4N382 L388N382-P384 WeakPolarHBondContact O-CD 3.34Å; P384-L388 WeakPolarHBondContact O-CG 2.95Å; P384-L388 PolarHBondContact O-N 3.2Å
385S93.5Very high94.4Very high70 Ų7080.4 Ų80.449%0.4943%0.43SS..Hα-helixtrans-75.1-45.6-176.684.20000112D383 L388 Q389D383-S385 PolarHBondContact O-N 2.97Å; D383-S385 PolarHBondContact OD1-N 3.27Å; D383-S385 PolarHBondContact OD1-OG 3.45Å; D383-S385 PolarHBondContact OD2-OG 2.89Å; S385-L388 PolarHBondContact O-N 3.29Å; S385-Q389 WeakPolarHBondContact O-CG 3.31Å; S385-Q389 PolarHBondContact O-N 3.5Å
386G92.6Very high94.4Very high25 Ų2586.5 Ų86.526%0.25845%0.45SS..Hα-helixtrans-63.6-40174.800000112.9D383 Q389D383-G386 PolarHBondContact O-N 3.26Å; D383-G386 PolarHBondContact OD2-N 3.44Å; G386-Q389 PolarHBondContact O-N 3.4Å
387F95.2Very high94.4Very high70 Ų7087.9 Ų87.931%0.30745%0.449SS..Hα-helixtrans-61.4-48.4176.2176.5-100.8000112.3V378 E381 D383 Q389 I390 S391V378-F387 HydrophobicContact CG1-CD2 4.13Å; V378-F387 HydrophobicContact CG1-CE2 4.22Å; E381-F387 HydrophobicContact CB-CB 4.48Å; E381-F387 HydrophobicContact CG-CB 4.37Å; D383-F387 PolarHBondContact O-N 2.9Å; D383-F387 VanDerWaalsContact O-N 3.11Å; F387-Q389 VanDerWaalsContact C-N 3.26Å; F387-Q389 PolarHBondContact O-N 2.87Å; F387-I390 PolarHBondContact O-N 3.07Å; F387-S391 WeakPolarHBondContact O-CB 3.38Å; F387-S391 PolarHBondContact O-N 3.28Å; F387-S391 PolarHBondContact O-OG 3.41Å
388L94.5Very high94.4Very high120 Ų12085.5 Ų85.563%0.62844%0.441SS*.Hα-helixtrans-67.3-22.5-178.8-71.1175.3000113.5P384 S385 I390P384-L388 WeakPolarHBondContact O-CG 2.95Å; P384-L388 PolarHBondContact O-N 3.2Å; S385-L388 PolarHBondContact O-N 3.29Å; L388-I390 PolarHBondContact O-N 2.98Å
389Q94.3Very high94.3Very high158 Ų15889.8 Ų89.874%0.73846%0.46SS*.Hα-helixtrans-65-26.6175.5-76.317723.600113.3S385 G386 F387S385-Q389 WeakPolarHBondContact O-CG 3.31Å; S385-Q389 PolarHBondContact O-N 3.5Å; G386-Q389 PolarHBondContact O-N 3.4Å; F387-Q389 VanDerWaalsContact C-N 3.26Å; F387-Q389 PolarHBondContact O-N 2.87Å
390I93.4Very high94.1Very high66 Ų6689.7 Ų89.734%0.33846%0.459SS..Hα-helixtrans-119.9-19.4-17362.9169.2000114.7V378 F387 L388 D392 A393 L394V378-I390 HydrophobicContact CB-CD1 4.43Å; V378-I390 HydrophobicContact CG1-CD1 3.55Å; V378-I390 HydrophobicContact CG1-CG1 4.14Å; V378-I390 HydrophobicContact CG2-CD1 3.94Å; F387-I390 PolarHBondContact O-N 3.07Å; L388-I390 PolarHBondContact O-N 2.98Å; I390-D392 PolarHBondContact O-N 3.17Å; I390-A393 PolarHBondContact O-N 2.97Å; I390-L394 HydrophobicContact CD1-CD1 4.31Å; I390-L394 HydrophobicContact CG1-CD1 4.48Å; I390-L394 PolarHBondContact O-N 3.02Å; I390-L394 VanDerWaalsContact O-N 3.11Å
391S93.1Very high93.9Very high10 Ų1085.1 Ų85.17%0.0744%0.441CS..Hα-helixtrans-61.6-46.5-171.361.60000113.8F387 A393 L394 I395F387-S391 WeakPolarHBondContact O-CB 3.38Å; F387-S391 PolarHBondContact O-N 3.28Å; F387-S391 PolarHBondContact O-OG 3.41Å; S391-A393 VanDerWaalsContact C-N 3.3Å; S391-A393 PolarHBondContact O-N 3.05Å; S391-L394 WeakPolarHBondContact O-CB 3.45Å; S391-L394 PolarHBondContact O-N 3.26Å; S391-L394 VanDerWaalsContact O-N 3.12Å; S391-I395 VanDerWaalsContact O-CG1 3.29Å; S391-I395 WeakPolarHBondContact O-CG1 3.4Å; S391-I395 PolarHBondContact O-N 3.06Å
392D94.8Very high93.6Very high104 Ų10486 Ų8656%0.55645%0.445SS*.Hα-helixtrans-61-38179.6-88.7-7.5000112.7I390 R396I390-D392 PolarHBondContact O-N 3.17Å; D392-R396 WeakPolarHBondContact O-CG 3.42Å; D392-R396 PolarHBondContact O-N 3.18Å; D392-R396 VanDerWaalsContact O-N 3.15Å; D392-R396 PolarHBondContact O-NH1 3.32Å
393A94.6Very high93.3Very high44 Ų4482.6 Ų82.636%0.36443%0.434SS..Hα-helixtrans-69.2-38.9176.500000111.6I390 S391 R397I390-A393 PolarHBondContact O-N 2.97Å; S391-A393 VanDerWaalsContact C-N 3.3Å; S391-A393 PolarHBondContact O-N 3.05Å; A393-R397 WeakPolarHBondContact O-CG 3.18Å; A393-R397 PolarHBondContact O-N 3.45Å
394L95.3Very high92.8Very high13 Ų1384.1 Ų84.17%0.06844%0.438CS..Hα-helixtrans-66.3-44.9175.2-82.8173.5000112.4L371 Y374 V378 I390 S391 R396 R397 V398L371-L394 HydrophobicContact CD1-CD2 4.27Å; Y374-L394 HydrophobicContact CD1-CD2 3.84Å; Y374-L394 HydrophobicContact CE1-CD1 4.15Å; Y374-L394 HydrophobicContact CE1-CD2 3.63Å; Y374-L394 HydrophobicContact CE1-CG 4.39Å; V378-L394 HydrophobicContact CB-CD1 4.16Å; V378-L394 HydrophobicContact CG1-CD1 3.84Å; V378-L394 HydrophobicContact CG2-CD1 4.01Å; I390-L394 HydrophobicContact CD1-CD1 4.31Å; I390-L394 HydrophobicContact CG1-CD1 4.48Å; I390-L394 PolarHBondContact O-N 3.02Å; I390-L394 VanDerWaalsContact O-N 3.11Å; S391-L394 WeakPolarHBondContact O-CB 3.45Å; S391-L394 PolarHBondContact O-N 3.26Å; S391-L394 VanDerWaalsContact O-N 3.12Å; L394-R396 VanDerWaalsContact C-N 3.29Å; L394-R396 PolarHBondContact O-N 3.32Å; L394-R397 WeakPolarHBondContact O-CB 3.41Å; L394-R397 PolarHBondContact O-N 3.12Å; L394-V398 WeakPolarHBondContact O-CG2 3.39Å; L394-V398 PolarHBondContact O-N 3.24Å
395I95.6Very high92.4Very high87 Ų8782.2 Ų82.245%0.44642%0.419SS..Hα-helixtrans-57.3-44.5176.2-69.8167000110.2S391 V398 H399S391-I395 VanDerWaalsContact O-CG1 3.29Å; S391-I395 WeakPolarHBondContact O-CG1 3.4Å; S391-I395 PolarHBondContact O-N 3.06Å; I395-V398 PolarHBondContact O-N 2.96Å; I395-H399 VanDerWaalsContact CG2-CE1 3.46Å; I395-H399 WeakPolarHBondContact CG2-CE1 3.43Å; I395-H399 WeakPolarHBondContact CG2-ND1 3.32Å; I395-H399 PolarHBondContact O-N 2.98Å; I395-H399 VanDerWaalsContact O-N 3.07Å; I395-H399 PolarHBondContact O-ND1 3.37Å
396R95.3Very high91.3Very high148 Ų14881 Ų8156%0.55842%0.418SS*.Hα-helixtrans-61.4-43.7174.1-73.4-171-63.2-87.72.9112.3D392 L394 V398 H399 M400D392-R396 WeakPolarHBondContact O-CG 3.42Å; D392-R396 PolarHBondContact O-N 3.18Å; D392-R396 VanDerWaalsContact O-N 3.15Å; D392-R396 PolarHBondContact O-NH1 3.32Å; L394-R396 VanDerWaalsContact C-N 3.29Å; L394-R396 PolarHBondContact O-N 3.32Å; R396-V398 VanDerWaalsContact C-N 3.34Å; R396-V398 PolarHBondContact O-N 3.4Å; R396-H399 PolarHBondContact O-N 3.48Å; R396-M400 WeakPolarHBondContact O-CB 3.15Å; R396-M400 VanDerWaalsContact O-CG 3.23Å; R396-M400 WeakPolarHBondContact O-CG 3.27Å; R396-M400 PolarHBondContact O-N 3.46Å
397R95.3Very high89.9Confident128 Ų12890 Ų9048%0.48345%0.449SS..Hα-helixtrans-62.4-38.8177.5-75173.464-170.4-0.8112.6A393 L394 T401A393-R397 WeakPolarHBondContact O-CG 3.18Å; A393-R397 PolarHBondContact O-N 3.45Å; L394-R397 WeakPolarHBondContact O-CB 3.41Å; L394-R397 PolarHBondContact O-N 3.12Å; R397-T401 WeakPolarHBondContact O-CB 3.36Å; R397-T401 PolarHBondContact O-N 3.2Å; R397-T401 PolarHBondContact O-OG1 2.98Å
398V94.8Very high88.5Confident61 Ų6188.5 Ų88.537%0.3745%0.454SS..Hα-helixtrans-64.5-52.2177170.80000110.3L371 L394 I395 R396 M400 T401 E402L371-V398 HydrophobicContact CD2-CG2 4.22Å; L371-V398 HydrophobicContact CG-CG2 4.41Å; L394-V398 WeakPolarHBondContact O-CG2 3.39Å; L394-V398 PolarHBondContact O-N 3.24Å; I395-V398 PolarHBondContact O-N 2.96Å; R396-V398 VanDerWaalsContact C-N 3.34Å; R396-V398 PolarHBondContact O-N 3.4Å; V398-M400 VanDerWaalsContact C-N 3.31Å; V398-M400 PolarHBondContact O-N 3.09Å; V398-T401 PolarHBondContact O-N 3.1Å; V398-T401 VanDerWaalsContact O-N 3.12Å; V398-E402 WeakPolarHBondContact O-CB 3.12Å; V398-E402 PolarHBondContact O-N 3.19Å
399H93Very high87.6Confident109 Ų10983.7 Ų83.751%0.50543%0.429SS..Hα-helixtrans-60.5-38.8177.5-71.3103.8000112.6I395 R396 E402 S403I395-H399 VanDerWaalsContact CG2-CE1 3.46Å; I395-H399 WeakPolarHBondContact CG2-CE1 3.43Å; I395-H399 WeakPolarHBondContact CG2-ND1 3.32Å; I395-H399 PolarHBondContact O-N 2.98Å; I395-H399 VanDerWaalsContact O-N 3.07Å; I395-H399 PolarHBondContact O-ND1 3.37Å; R396-H399 PolarHBondContact O-N 3.48Å; H399-E402 IonicContact CD2-OE2 2.8Å; H399-E402 PolarHBondContact O-N 3.34Å; H399-S403 WeakPolarHBondContact O-CB 3.47Å; H399-S403 PolarHBondContact O-N 3.43Å; H399-S403 PolarHBondContact O-OG 3.32Å
400M90.7Very high86.9Confident114 Ų11482.5 Ų82.556%0.56243%0.428SS*.Hα-helixtrans-62-46.4174.1-74.1176.972.900111.4R396 V398 S403 Q404R396-M400 WeakPolarHBondContact O-CB 3.15Å; R396-M400 VanDerWaalsContact O-CG 3.23Å; R396-M400 WeakPolarHBondContact O-CG 3.27Å; R396-M400 PolarHBondContact O-N 3.46Å; V398-M400 VanDerWaalsContact C-N 3.31Å; V398-M400 PolarHBondContact O-N 3.09Å; M400-S403 PolarHBondContact O-N 3.11Å; M400-S403 PolarHBondContact O-OG 2.84Å; M400-Q404 VanDerWaalsContact O-CG 3.3Å; M400-Q404 WeakPolarHBondContact O-CG 3.38Å; M400-Q404 PolarHBondContact O-N 2.8Å
401T90Very high86.5Confident30 Ų3083.2 Ų83.218%0.18444%0.435CS..Hα-helixtrans-65.4-41.1179.2-53.10000111.5T368 L371 R397 V398 Q404 W405T368-T401 HydrophobicContact CG2-CG2 4.27Å; L371-T401 HydrophobicContact CD2-CG2 4.41Å; L371-T401 WeakPolarHBondContact CD2-OG1 3.4Å; R397-T401 WeakPolarHBondContact O-CB 3.36Å; R397-T401 PolarHBondContact O-N 3.2Å; R397-T401 PolarHBondContact O-OG1 2.98Å; V398-T401 PolarHBondContact O-N 3.1Å; V398-T401 VanDerWaalsContact O-N 3.12Å; T401-Q404 WeakPolarHBondContact O-CB 3.25Å; T401-Q404 PolarHBondContact O-N 2.81Å; T401-W405 PolarHBondContact O-N 3.04Å
402E89.4Confident86.2Confident125 Ų12588.1 Ų88.158%0.58447%0.466SS*.Hα-helixtrans-60.5-49.2175-177.5-174-160.300111.6V398 H399 Q404 W405V398-E402 WeakPolarHBondContact O-CB 3.12Å; V398-E402 PolarHBondContact O-N 3.19Å; H399-E402 IonicContact CD2-OE2 2.8Å; H399-E402 PolarHBondContact O-N 3.34Å; E402-Q404 PolarHBondContact O-N 2.92Å; E402-W405 WeakPolarHBondContact O-CB 3.32Å; E402-W405 PolarHBondContact O-N 3.22Å
403S86.4Confident85.9Confident83 Ų8390.6 Ų90.658%0.5847%0.468SS*.Hα-helixtrans-60.2-31.5179.272.30000112.8H399 M400 W405 G406H399-S403 WeakPolarHBondContact O-CB 3.47Å; H399-S403 PolarHBondContact O-N 3.43Å; H399-S403 PolarHBondContact O-OG 3.32Å; M400-S403 PolarHBondContact O-N 3.11Å; M400-S403 PolarHBondContact O-OG 2.84Å; S403-W405 VanDerWaalsContact C-N 3.33Å; S403-W405 PolarHBondContact O-N 3.4Å; S403-G406 PolarHBondContact O-N 3.31Å; S403-G406 VanDerWaalsContact O-N 3.1Å
404Q84.6Confident85.7Confident104 Ų10491 Ų9149%0.48646%0.463SS..Hα-helixtrans-69.3-28.5176.7-72.7172.713.700112.6K364 M400 T401 E402 G406 T409K364-Q404 VanDerWaalsContact NZ-C 3.28Å; K364-Q404 PolarHBondContact NZ-O 3.34Å; M400-Q404 VanDerWaalsContact O-CG 3.3Å; M400-Q404 WeakPolarHBondContact O-CG 3.38Å; M400-Q404 PolarHBondContact O-N 2.8Å; T401-Q404 WeakPolarHBondContact O-CB 3.25Å; T401-Q404 PolarHBondContact O-N 2.81Å; E402-Q404 PolarHBondContact O-N 2.92Å; Q404-G406 PolarHBondContact O-N 3Å; Q404-T409 PolarHBondContact O-OG1 3.03Å
405W83.9Confident85.4Confident58 Ų5894.9 Ų94.922%0.2249%0.487CS..Hα-helixtrans-69.1-24.8171.5-75.7100.6000112K364 L365 T368 T401 E402 S403 T409 L410K364-W405 HydrophobicContact CB-CH2 4.24Å; K364-W405 HydrophobicContact CB-CZ2 4.11Å; K364-W405 HydrophobicContact CD-CD2 4.32Å; K364-W405 HydrophobicContact CD-CE3 4.49Å; K364-W405 HydrophobicContact CD-CH2 4.37Å; K364-W405 HydrophobicContact CD-CZ2 4.19Å; K364-W405 HydrophobicContact CG-CH2 4.21Å; K364-W405 HydrophobicContact CG-CZ2 3.74Å; L365-W405 HydrophobicContact CB-CH2 4.16Å; L365-W405 HydrophobicContact CB-CZ2 4.38Å; L365-W405 HydrophobicContact CD1-CH2 4.34Å; L365-W405 HydrophobicContact CD1-CZ2 4.39Å; T368-W405 PolarHBondContact OG1-NE1 3.33Å; T401-W405 PolarHBondContact O-N 3.04Å; E402-W405 WeakPolarHBondContact O-CB 3.32Å; E402-W405 PolarHBondContact O-N 3.22Å; S403-W405 VanDerWaalsContact C-N 3.33Å; S403-W405 PolarHBondContact O-N 3.4Å; W405-T409 HydrophobicContact CE3-CG2 3.91Å; W405-T409 HydrophobicContact CZ3-CG2 4.13Å; W405-L410 HydrophobicContact CE3-CD2 4.12Å; W405-L410 HydrophobicContact CE3-CG 4.43Å; W405-L410 HydrophobicContact CZ3-CD2 3.88Å
406G71.8Confident84.9Confident45 Ų4595.5 Ų95.546%0.46450%0.499SS..THydrogen-bonded Turntrans-65.1141.7-18000000114.6S403 Q404S403-G406 PolarHBondContact O-N 3.31Å; S403-G406 VanDerWaalsContact O-N 3.1Å; Q404-G406 PolarHBondContact O-N 3Å
407K61.7Low84.7Confident213 Ų21394 Ų9493%0.92650%0.503SS*.THydrogen-bonded Turntrans46.9105.3179.4-74.2-173.8178-179.30116.4
408G66.7Low84.4Confident39 Ų3992.2 Ų92.240%0.40250%0.499SS..THydrogen-bonded Turntrans90-8.8165.800000116.3T411G408-T411 WeakPolarHBondContact CA-OG1 3.48Å; G408-T411 PolarHBondContact O-OG1 3.25Å; G408-T411 VanDerWaalsContact O-OG1 3.11Å
409T74.4Confident83.9Confident18 Ų1896.9 Ų96.911%0.1152%0.521CS..SBendtrans-68.5-39.3175.7-62.10000111.8K364 Q404 W405K364-T409 HydrophobicContact CD-CG2 4.3Å; K364-T409 PolarHBondContact NZ-OG1 3.49Å; Q404-T409 PolarHBondContact O-OG1 3.03Å; W405-T409 HydrophobicContact CE3-CG2 3.91Å; W405-T409 HydrophobicContact CZ3-CG2 4.13Å
410L80.2Confident83.7Confident134 Ų13495.8 Ų95.870%0.70252%0.519SS*.SBendtrans-988.8-175.1-62.4178.4000114.2W405W405-L410 HydrophobicContact CE3-CD2 4.12Å; W405-L410 HydrophobicContact CE3-CG 4.43Å; W405-L410 HydrophobicContact CZ3-CD2 3.88Å
411T85.4Confident83.7Confident81 Ų8197 Ų9750%0.49753%0.533SS..SBendtrans-97.6133.2176.351.70000110.2Q357 G408 R413Q357-T411 PolarHBondContact NE2-O 3.32Å; G408-T411 WeakPolarHBondContact CA-OG1 3.48Å; G408-T411 PolarHBondContact O-OG1 3.25Å; G408-T411 VanDerWaalsContact O-OG1 3.11Å; T411-R413 PolarHBondContact O-N 2.92Å
412P86.4Confident83.8Confident112 Ų112102 Ų10273%0.72756%0.557SS**  trans-55.7129.7174.9-2433.3000111.1M414P412-M414 VanDerWaalsContact C-N 3.32Å
413R87.9Confident83.9Confident157 Ų157102 Ų10259%0.59256%0.562SS**SBendtrans-84.5-8.3177.8-68.9179-177.2-173.70.9113.5V353 T411V353-R413 HydrophobicContact CG1-CB 4.18Å; T411-R413 PolarHBondContact O-N 2.92Å
414M90.8Very high84.2Confident52 Ų52101 Ų10126%0.25656%0.555SS.*SBendtrans-143.7148.5-176.8-158.660.7-171.700111K350 V353 V354 P412K350-M414 HydrophobicContact CB-CG 4.23Å; K350-M414 HydrophobicContact CD-CE 4.13Å; K350-M414 HydrophobicContact CG-CE 3.47Å; K350-M414 VanDerWaalsContact CG-CE 3.47Å; K350-M414 HydrophobicContact CG-CG 3.76Å; K350-M414 HydrophobicContact CG-SD 4.38Å; V353-M414 HydrophobicContact CG1-CB 4.13Å; V354-M414 HydrophobicContact CG2-CB 4.18Å; P412-M414 VanDerWaalsContact C-N 3.32Å
415T88.4Confident84.5Confident94 Ų9497.8 Ų97.858%0.57755%0.549SS*.  trans-88153.7173.559.30000111.4K350K350-T415 PolarHBondContact NZ-O 3.08Å; K350-T415 PolarHBondContact NZ-OG1 3.34Å
416S86.9Confident84.9Confident100 Ų10098.7 Ų98.770%0.69956%0.563SS**SBendtrans-73.2-28.9174.447.70000113.3
417D89.1Confident85.8Confident118 Ų118100.9 Ų100.963%0.63156%0.563SS**SBendtrans-83147.5-167-51.9-28.7000111.8K350K350-D417 PolarHBondContact NZ-O 2.92Å
418F89.7Confident87.2Confident90 Ų9095 Ų9540%0.39554%0.541SS..  trans-92.2116.2173.8-74.9-101.5000109.4V343 E346 H347 L420V343-F418 HydrophobicContact CG1-CD1 4.47Å; V343-F418 HydrophobicContact CG1-CE1 4.19Å; E346-F418 HydrophobicContact CB-CD1 4.47Å; E346-F418 HydrophobicContact CB-CE1 4.18Å; E346-F418 HydrophobicContact CG-CD1 4.06Å; E346-F418 HydrophobicContact CG-CE1 4.04Å; H347-F418 HydrophobicContact CB-CE1 4.02Å; H347-F418 HydrophobicContact CB-CZ 3.73Å; F418-L420 HydrophobicContact CD1-CD1 4.36Å; F418-L420 PolarHBondContact O-N 3.19Å; F418-L420 VanDerWaalsContact O-N 3.14Å
419D84.9Confident88.2Confident159 Ų15998.9 Ų98.985%0.8555%0.549SS*.  trans-89.462.1175.9-165.419.4000110.3
420L89Confident88.8Confident85 Ų85102.3 Ų102.345%0.44557%0.57SS.*  trans-131.9119-179.3-64.6175.2000109.4V343 F418V343-L420 HydrophobicContact CG2-CD1 4.02Å; F418-L420 HydrophobicContact CD1-CD1 4.36Å; F418-L420 PolarHBondContact O-N 3.19Å; F418-L420 VanDerWaalsContact O-N 3.14Å
421T89.8Confident89.3Confident140 Ų140100.1 Ų100.186%0.85956%0.558SS**  trans-116.6127.717753.90000110.7
422L92.8Very high89.3Confident134 Ų134103.9 Ų103.970%0.70257%0.57SS**  trans-91.8120.1173.4179.465.3000109.9L339L339-L422 HydrophobicContact CD1-CD1 3.99Å
423D91.3Very high89.1Confident126 Ų126104 Ų10467%0.67456%0.561SS**  trans-94.5112.7168.4-17913.4000110.2G425 P426D423-G425 PolarHBondContact OD1-N 3.29Å; D423-P426 WeakPolarHBondContact OD1-CD 3.45Å
424S92.4Very high89Confident62 Ų62102 Ų10243%0.43456%0.561SS.*  trans-103.6-6.7178.458.40000113.8L427 L428S424-L427 PolarHBondContact O-N 3.43Å; S424-L428 WeakPolarHBondContact O-CG 3.3Å; S424-L428 PolarHBondContact O-N 3.36Å
425G91.4Very high88.6Confident36 Ų36103.9 Ų103.937%0.37157%0.572SS.*Hα-helixtrans-57.2-52.8-171.500000114D423 L427 L428 Q429D423-G425 PolarHBondContact OD1-N 3.29Å; G425-L427 VanDerWaalsContact C-N 3.31Å; G425-L427 PolarHBondContact O-N 3.4Å; G425-L428 PolarHBondContact O-N 3.32Å; G425-Q429 PolarHBondContact O-N 2.93Å
426P92.5Very high88.2Confident77 Ų77102.9 Ų102.950%0.556%0.56SS.*Hα-helixtrans-60.5-37.5-179.4-25.834.9000113.8D423 T430D423-P426 WeakPolarHBondContact OD1-CD 3.45Å; P426-T430 PolarHBondContact O-N 2.93Å; P426-T430 VanDerWaalsContact O-N 3.12Å; P426-T430 PolarHBondContact O-OG1 3.43Å
427L90.7Very high87.4Confident91 Ų91101.2 Ų101.248%0.47655%0.545SS..Hα-helixtrans-70.1-42.6179.1-178.462.3000111.2L332 S424 G425 Q429 T430 I431L332-L427 HydrophobicContact CD1-CD2 3.8Å; S424-L427 PolarHBondContact O-N 3.43Å; G425-L427 VanDerWaalsContact C-N 3.31Å; G425-L427 PolarHBondContact O-N 3.4Å; L427-Q429 VanDerWaalsContact C-N 3.32Å; L427-Q429 PolarHBondContact O-N 3.47Å; L427-T430 WeakPolarHBondContact O-CB 3.11Å; L427-T430 PolarHBondContact O-N 2.88Å; L427-I431 HydrophobicContact CG-CD1 4.17Å; L427-I431 WeakPolarHBondContact O-CG1 3.45Å; L427-I431 PolarHBondContact O-N 2.89Å
428L90.8Very high86.2Confident89 Ų89102 Ų10247%0.46655%0.545SS..Hα-helixtrans-60.4-42.5175.5-74.5171.6000111.6S424 G425 T430 I431 H432S424-L428 WeakPolarHBondContact O-CG 3.3Å; S424-L428 PolarHBondContact O-N 3.36Å; G425-L428 PolarHBondContact O-N 3.32Å; L428-T430 VanDerWaalsContact C-N 3.29Å; L428-T430 PolarHBondContact O-N 3.14Å; L428-I431 PolarHBondContact O-N 3.49Å; L428-H432 PolarHBondContact O-CD2 3.42Å; L428-H432 PolarHBondContact O-N 3.3Å
429Q87.3Confident85Confident122 Ų122104 Ų10457%0.5756%0.558SS**Hα-helixtrans-60.4-40.6175.6-174.3176.7300112G425 L427 H432 Q433G425-Q429 PolarHBondContact O-N 2.93Å; L427-Q429 VanDerWaalsContact C-N 3.32Å; L427-Q429 PolarHBondContact O-N 3.47Å; Q429-H432 PolarHBondContact O-N 3.02Å; Q429-Q433 WeakPolarHBondContact O-CG 3.31Å; Q429-Q433 PolarHBondContact O-N 2.91Å
430T88Confident84.6Confident89 Ų89100 Ų10055%0.54653%0.532SS..Hα-helixtrans-66.3-40.7177.4-51.50000111.5P426 L427 L428 H432 Q433 L434P426-T430 PolarHBondContact O-N 2.93Å; P426-T430 VanDerWaalsContact O-N 3.12Å; P426-T430 PolarHBondContact O-OG1 3.43Å; L427-T430 WeakPolarHBondContact O-CB 3.11Å; L427-T430 PolarHBondContact O-N 2.88Å; L428-T430 VanDerWaalsContact C-N 3.29Å; L428-T430 PolarHBondContact O-N 3.14Å; T430-H432 VanDerWaalsContact C-N 3.34Å; T430-H432 PolarHBondContact O-N 3.37Å; T430-Q433 PolarHBondContact O-N 3.46Å; T430-Q433 VanDerWaalsContact O-N 3.14Å; T430-L434 PolarHBondContact O-N 2.91Å
431I89.4Confident84.4Confident89 Ų8999 Ų9946%0.45653%0.53SS..Hα-helixtrans-62.2-41.6175.7-69.3168.1000110.9L427 L428 Q433 L434L427-I431 HydrophobicContact CG-CD1 4.17Å; L427-I431 WeakPolarHBondContact O-CG1 3.45Å; L427-I431 PolarHBondContact O-N 2.89Å; L428-I431 PolarHBondContact O-N 3.49Å; I431-Q433 PolarHBondContact O-N 3.47Å; I431-L434 VanDerWaalsContact O-CB 3.28Å; I431-L434 WeakPolarHBondContact O-CB 3.15Å; I431-L434 PolarHBondContact O-N 3.05Å
432H85.7Confident84.5Confident160 Ų16092.5 Ų92.574%0.74149%0.49SS*.Hα-helixtrans-64.1-21.3176.2-76.1-59.3000114L428 Q429 T430L428-H432 PolarHBondContact O-CD2 3.42Å; L428-H432 PolarHBondContact O-N 3.3Å; Q429-H432 PolarHBondContact O-N 3.02Å; T430-H432 VanDerWaalsContact C-N 3.34Å; T430-H432 PolarHBondContact O-N 3.37Å
433Q83Confident84.4Confident115 Ų11588.2 Ų88.254%0.53747%0.474SS..THydrogen-bonded Turntrans-94.1-4.7179.1-67.91743.800113.4Q429 T430 I431 D435 K440Q429-Q433 WeakPolarHBondContact O-CG 3.31Å; Q429-Q433 PolarHBondContact O-N 2.91Å; T430-Q433 PolarHBondContact O-N 3.46Å; T430-Q433 VanDerWaalsContact O-N 3.14Å; I431-Q433 PolarHBondContact O-N 3.47Å; Q433-D435 PolarHBondContact O-N 3.26Å; Q433-K440 PolarHBondContact O-NZ 3.22Å
434L85.4Confident84.4Confident115 Ų11583.7 Ų83.760%0.60245%0.454SS*.  trans-68.5115.7178.5-172.469.8000109.5L328 T430 I431L328-L434 HydrophobicContact CD1-CD2 4.02Å; T430-L434 PolarHBondContact O-N 2.91Å; I431-L434 VanDerWaalsContact O-CB 3.28Å; I431-L434 WeakPolarHBondContact O-CB 3.15Å; I431-L434 PolarHBondContact O-N 3.05Å
435D82.1Confident84.6Confident91 Ų9181 Ų8149%0.48744%0.435SS..  trans-160.4163-171.9-1697.9000109.4Q433 V437Q433-D435 PolarHBondContact O-N 3.26Å; D435-V437 PolarHBondContact O-N 3.3Å
436F80.4Confident84.7Confident73 Ų7382.7 Ų82.732%0.3244%0.435SS..  trans-67126.9-178.7-62.8-76.2000111.2F317 L321 Q438 M439F317-F436 AromaticContact CE1-CE1 3.78Å; F317-F436 HydrophobicContact CE1-CE1 3.78Å; F317-F436 HydrophobicContact CE1-CZ 4.27Å; F317-F436 HydrophobicContact CZ-CD1 4Å; F317-F436 AromaticContact CZ-CE1 3.65Å; F317-F436 HydrophobicContact CZ-CE1 3.65Å; L321-F436 HydrophobicContact CD1-CE1 3.99Å; L321-F436 HydrophobicContact CD1-CZ 4.18Å; L321-F436 HydrophobicContact CD2-CE1 4.19Å; L321-F436 HydrophobicContact CD2-CZ 3.77Å; F436-Q438 PolarHBondContact O-N 3.08Å; F436-M439 HydrophobicContact CB-CB 4.26Å; F436-M439 HydrophobicContact CB-CG 4Å; F436-M439 HydrophobicContact CB-SD 4.25Å; F436-M439 HydrophobicContact CD2-SD 3.9Å; F436-M439 HydrophobicContact CG-SD 4.47Å; F436-M439 PolarHBondContact O-N 3.5Å
437V68.9Low84.7Confident64 Ų6480.1 Ų80.139%0.38842%0.417SS..G310 helixtrans-59-36.2176.6167.10000111.1D435 M439 K440 I471D435-V437 PolarHBondContact O-N 3.3Å; V437-M439 PolarHBondContact O-N 2.96Å; V437-K440 PolarHBondContact O-N 3.21Å; V437-K440 VanDerWaalsContact O-N 3.14Å; V437-I471 HydrophobicContact CB-CD1 4.26Å; V437-I471 HydrophobicContact CG1-CD1 3.68Å; V437-I471 HydrophobicContact CG2-CD1 4.3Å
438Q65.3Low84.7Confident136 Ų13677.8 Ų77.864%0.63640%0.403SS*.G310 helixtrans-73.8-2.1178.1-60.981.9-2.700114F436 S520F436-Q438 PolarHBondContact O-N 3.08Å; Q438-S520 PolarHBondContact O-OG 3.11Å
439M64.5Low84.4Confident132 Ų13279 Ų7965%0.6541%0.41SS*.G310 helixtrans-106.7-2171-66.6-174.469.100112.2F436 V437F436-M439 HydrophobicContact CB-CB 4.26Å; F436-M439 HydrophobicContact CB-CG 4Å; F436-M439 HydrophobicContact CB-SD 4.25Å; F436-M439 HydrophobicContact CD2-SD 3.9Å; F436-M439 HydrophobicContact CG-SD 4.47Å; F436-M439 PolarHBondContact O-N 3.5Å; V437-M439 PolarHBondContact O-N 2.96Å
440K77Confident84.2Confident74 Ų7482.7 Ų82.732%0.32243%0.427SS..SBendtrans-98.8122.4-179.8-72.9179.6174.5166.60110.1Q433 V437 I471 N518Q433-K440 PolarHBondContact O-NZ 3.22Å; V437-K440 PolarHBondContact O-N 3.21Å; V437-K440 VanDerWaalsContact O-N 3.14Å; K440-I471 HydrophobicContact CB-CD1 3.9Å; K440-I471 HydrophobicContact CB-CG1 4.41Å; K440-I471 HydrophobicContact CD-CD1 4.31Å; K440-I471 WeakPolarHBondContact O-CG2 3.47Å; K440-N518 PolarHBondContact O-ND2 3.38Å; K440-N518 VanDerWaalsContact O-ND2 3.13Å
441V84.3Confident84Confident64 Ų6483.2 Ų83.239%0.38842%0.423SS..PPolyproline II helixtrans-64151.1167.9-62.40000110
442P90.8Very high83.8Confident3 Ų380 Ų802%0.01941%0.408CS..PPolyproline II helixtrans-58.6150.5178.1-29.139.9000113.2V473 A516 N518 G523P442-V473 HydrophobicContact CB-CG2 4.01Å; P442-V473 HydrophobicContact CG-CG2 4.27Å; P442-A516 HydrophobicContact CB-CB 3.52Å; P442-A516 HydrophobicContact CG-CB 4.16Å; P442-N518 HydrophobicContact CG-CB 4Å; P442-G523 VanDerWaalsContact O-CA 3.24Å; P442-G523 WeakPolarHBondContact O-CA 3.32Å
443A90.4Very high83.6Confident45 Ų4574.8 Ų74.837%0.37239%0.39SS..PPolyproline II helixtrans-67.9155.4171.600000111P466A443-P466 HydrophobicContact CB-CG 3.98Å
444A93.1Very high83.4Confident30 Ų3071.6 Ų71.625%0.24838%0.378CS..PPolyproline II helixtrans-56.5127.7176.700000111P466 Q524 Y525A444-P466 VanDerWaalsContact O-CG 3.28Å; A444-P466 WeakPolarHBondContact O-CG 3.33Å; A444-Q524 WeakPolarHBondContact CA-O 3.44Å; A444-Q524 HydrophobicContact CB-CB 4.18Å; A444-Q524 WeakPolarHBondContact CB-O 3.36Å; A444-Y525 WeakPolarHBondContact CB-O 3.46Å
445P95.1Very high82.8Confident6 Ų671.9 Ų71.94%0.03938%0.376CS..PPolyproline II helixtrans-65.4155176.4-16.929.6000111.9W463 Y476 V514 A516 S526P445-W463 HydrophobicContact CB-CB 4.36Å; P445-Y476 HydrophobicContact CB-CD1 4.32Å; P445-Y476 HydrophobicContact CB-CE1 4.1Å; P445-Y476 HydrophobicContact CG-CD1 3.71Å; P445-Y476 HydrophobicContact CG-CE1 3.75Å; P445-V514 HydrophobicContact CB-CG1 3.72Å; P445-V514 HydrophobicContact CG-CG1 3.93Å; P445-A516 HydrophobicContact CG-CB 3.83Å; P445-S526 WeakPolarHBondContact O-CB 3.4Å
446I94.8Very high82.3Confident72 Ų7271.2 Ų71.237%0.36937%0.373SS..EExtended strand (participates in β ladder)trans-103.8118.3179.9-55.8177.2000108.4W463 K464 P466I446-W463 CarbonylContact O-C 3.57Å; I446-W463 VanDerWaalsContact O-CA 3.23Å; I446-W463 WeakPolarHBondContact O-CA 3.46Å; I446-K464 HydrophobicContact CB-CG 4.32Å; I446-K464 PolarHBondContact N-O 3.39Å; I446-K464 PolarHBondContact O-N 3Å; I446-P466 HydrophobicContact CD1-CB 4.1Å; I446-P466 HydrophobicContact CD1-CG 4.19Å; I446-P466 HydrophobicContact CG1-CG 4.15Å
447L91.8Very high82.2Confident23 Ų2370 Ų7012%0.1237%0.369CS..EExtended strand (participates in β ladder)trans-68.4131.5174.6-69.9165.6000110.9L449 W463 V514 K527 L529L447-L449 HydrophobicContact CB-CD2 4.32Å; L447-L449 PolarHBondContact O-N 3.45Å; L447-W463 HydrophobicContact CD2-CB 4.18Å; L447-V514 HydrophobicContact CD2-CG1 4.19Å; L447-K527 WeakPolarHBondContact CD1-O 3.41Å; L447-L529 HydrophobicContact CD1-CB 3.61Å; L447-L529 HydrophobicContact CD1-CD2 4.44Å
448Q90.9Very high82.9Confident42 Ų4267.7 Ų67.720%0.19636%0.356CS..  trans-90.682.4176.8-70176.9-109.800109.2E450 E451 C452 S462 K464Q448-E450 PolarHBondContact O-N 2.97Å; Q448-E451 HydrophobicContact CB-CB 4.25Å; Q448-E451 PolarHBondContact NE2-OE1 3.5Å; Q448-E451 PolarHBondContact NE2-OE2 3.2Å; Q448-E451 PolarHBondContact O-N 3.43Å; Q448-C452 PolarHBondContact O-N 3.38Å; Q448-C452 VanDerWaalsContact O-N 3.13Å; Q448-C452 PolarHBondContact O-SG 3.06Å; Q448-C452 VanDerWaalsContact O-SG 3.36Å; Q448-S462 PolarHBondContact N-O 2.97Å; Q448-S462 PolarHBondContact OE1-OG 3.25Å; Q448-K464 HydrophobicContact CG-CD 4.05Å; Q448-K464 HydrophobicContact CG-CG 4.12Å
449L85.1Confident84Confident114 Ų11461.2 Ų61.260%0.59733%0.326SS*.THydrogen-bonded Turntrans-55.1-29.7-172.7-59-178.4000114.3L447 E451 C452 L529L447-L449 HydrophobicContact CB-CD2 4.32Å; L447-L449 PolarHBondContact O-N 3.45Å; L449-E451 VanDerWaalsContact C-N 3.3Å; L449-C452 PolarHBondContact O-N 2.8Å; L449-L529 HydrophobicContact CD2-CD1 3.63Å; L449-L529 HydrophobicContact CD2-CD2 4.21Å; L449-L529 HydrophobicContact CD2-CG 4.43Å
450E83.1Confident85.1Confident200 Ų20056 Ų5694%0.93530%0.302SS*.THydrogen-bonded Turntrans-72-23.2179.1-62.2172.2-16500113.2Q448Q448-E450 PolarHBondContact O-N 2.97Å
451E83Confident86Confident99 Ų9952.5 Ų52.546%0.46329%0.286SS..THydrogen-bonded Turntrans-101.5-12178.5-68.8171.9-150.700112Q448 L449 S462Q448-E451 HydrophobicContact CB-CB 4.25Å; Q448-E451 PolarHBondContact NE2-OE1 3.5Å; Q448-E451 PolarHBondContact NE2-OE2 3.2Å; Q448-E451 PolarHBondContact O-N 3.43Å; L449-E451 VanDerWaalsContact C-N 3.3Å; E451-S462 WeakPolarHBondContact OE2-CB 3.43Å; E451-S462 PolarHBondContact OE2-OG 3.05Å
452C85.3Confident86.5Confident21 Ų2149.6 Ų49.614%0.14227%0.269CS..  trans-77.8131.2172.1-62.80000110.1Q448 L449 T460 S462 L529Q448-C452 PolarHBondContact O-N 3.38Å; Q448-C452 VanDerWaalsContact O-N 3.13Å; Q448-C452 PolarHBondContact O-SG 3.06Å; Q448-C452 VanDerWaalsContact O-SG 3.36Å; L449-C452 PolarHBondContact O-N 2.8Å; C452-T460 CarbonylContact C-O 3.52Å; C452-T460 WeakPolarHBondContact CA-O 3.19Å; C452-S462 PolarHBondContact SG-N 3.05Å; C452-S462 VanDerWaalsContact SG-N 3.37Å; C452-L529 HydrophobicContact CB-CD2 4.01Å
453C82Confident86.8Confident52 Ų5249.4 Ų49.435%0.35127%0.268SS..EExtended strand (participates in β ladder)trans-147.8158.5175.965.80000111.7A459 T460C453-A459 CarbonylContact O-C 3.54Å; C453-A459 WeakPolarHBondContact O-CA 3.13Å; C453-T460 PolarHBondContact N-O 3.41Å; C453-T460 PolarHBondContact O-N 2.78Å
454T78.8Confident86.9Confident48 Ų4852 Ų5229%0.29427%0.27SS..EExtended strand (participates in β ladder)trans-112.7138.2167.657.10000109.6S458 A459 M531 Q532T454-S458 CarbonylContact C-O 3.58Å; T454-S458 WeakPolarHBondContact CA-O 3.46Å; T454-A459 HydrophobicContact CG2-CB 3.91Å; T454-M531 HydrophobicContact CG2-CB 3.8Å; T454-Q532 WeakPolarHBondContact CB-O 3.45Å; T454-Q532 WeakPolarHBondContact CG2-O 3.35Å; T454-Q532 PolarHBondContact OG1-O 3.32Å
455Q72.3Confident86.8Confident121 Ų12153.4 Ų53.457%0.56527%0.272SS*.EExtended strand (participates in β ladder)trans-135.8119.5177-63.9-176.224.100108N457 S458Q455-N457 PolarHBondContact O-N 3.42Å; Q455-S458 PolarHBondContact N-O 3.28Å; Q455-S458 PolarHBondContact O-N 2.85Å; Q455-S458 PolarHBondContact O-OG 3.2Å
456N72.2Confident86.5Confident77 Ų7754.5 Ų54.541%0.41228%0.279SS..THydrogen-bonded Turntrans53.1-112.2-177.6-62.6-30.9000112.3F506 S534N456-F506 HydrophobicContact CB-CE1 4.33Å; N456-S534 WeakPolarHBondContact CA-OG 3.47Å; N456-S534 PolarHBondContact N-OG 3.32Å; N456-S534 PolarHBondContact O-N 3.37Å; N456-S534 PolarHBondContact O-OG 2.87Å; N456-S534 VanDerWaalsContact O-OG 3.06Å
457N77.4Confident85.7Confident47 Ų4756.8 Ų56.825%0.25130%0.299SS..THydrogen-bonded Turntrans-106.623.6177.965.5-20.6000112.7Q455 G503 L504 F506Q455-N457 PolarHBondContact O-N 3.42Å; N457-G503 PolarHBondContact O-N 3.14Å; N457-G503 VanDerWaalsContact O-N 3.13Å; N457-L504 VanDerWaalsContact CB-O 3.24Å; N457-L504 WeakPolarHBondContact CB-O 3.25Å; N457-L504 VanDerWaalsContact O-CB 3.3Å; N457-L504 WeakPolarHBondContact O-CB 3.36Å; N457-L504 PolarHBondContact O-N 3.06Å; N457-F506 HydrophobicContact CB-CD1 4.37Å; N457-F506 HydrophobicContact CB-CE1 3.88Å; N457-F506 HydrophobicContact CB-CE2 4.05Å; N457-F506 HydrophobicContact CB-CZ 3.7Å
458S83.3Confident85Confident15 Ų1563.6 Ų63.611%0.10533%0.334CS..EExtended strand (participates in β ladder)trans-128154.9175.172.50000112.6T454 Q455 V501 D502T454-S458 CarbonylContact C-O 3.58Å; T454-S458 WeakPolarHBondContact CA-O 3.46Å; Q455-S458 PolarHBondContact N-O 3.28Å; Q455-S458 PolarHBondContact O-N 2.85Å; Q455-S458 PolarHBondContact O-OG 3.2Å; S458-V501 CarbonylContact C-O 3.59Å; S458-V501 WeakPolarHBondContact CA-O 3.28Å; S458-V501 WeakPolarHBondContact CB-O 3.34Å; S458-D502 WeakPolarHBondContact CB-OD1 3.24Å
459A87.9Confident84.5Confident1 Ų163 Ų631%0.00834%0.335CS..EExtended strand (participates in β ladder)trans-132.5123.3175.400000110C453 T454 L461 T500 V501 L504 M531C453-A459 CarbonylContact O-C 3.54Å; C453-A459 WeakPolarHBondContact O-CA 3.13Å; T454-A459 HydrophobicContact CG2-CB 3.91Å; A459-L461 HydrophobicContact CB-CD1 4.4Å; A459-T500 CarbonylContact O-C 3.57Å; A459-T500 WeakPolarHBondContact O-CA 3.43Å; A459-V501 PolarHBondContact N-O 3.04Å; A459-V501 PolarHBondContact O-N 2.89Å; A459-L504 HydrophobicContact CB-CD1 3.66Å; A459-M531 HydrophobicContact CB-CE 3.82Å; A459-M531 HydrophobicContact CB-SD 4.17Å
460T89.6Confident84.1Confident22 Ų2263.3 Ų63.314%0.13534%0.342CS..EExtended strand (participates in β ladder)trans-97.4127.6172.3-57.30000109.3C452 C453 I498 C499 T500C452-T460 CarbonylContact C-O 3.52Å; C452-T460 WeakPolarHBondContact CA-O 3.19Å; C453-T460 PolarHBondContact N-O 3.41Å; C453-T460 PolarHBondContact O-N 2.78Å; T460-I498 HydrophobicContact CG2-CD1 3.89Å; T460-I498 HydrophobicContact CG2-CG1 3.83Å; T460-C499 CarbonylContact C-O 3.51Å; T460-C499 WeakPolarHBondContact CA-O 3.36Å; T460-T500 PolarHBondContact OG1-OG1 2.84Å
461L94.1Very high84.1Confident0 Ų054.7 Ų54.70%030%0.302CS..EExtended strand (participates in β ladder)trans-119.4135.9177.5-62.5102000110.3A459 W463 L478 I498 C499 V501 S512 L529 M531A459-L461 HydrophobicContact CB-CD1 4.4Å; L461-W463 HydrophobicContact CB-CE3 4.24Å; L461-W463 HydrophobicContact CB-CZ3 3.99Å; L461-W463 WeakPolarHBondContact O-CZ3 3.19Å; L461-L478 HydrophobicContact CD1-CD2 4Å; L461-L478 HydrophobicContact CD2-CD1 4.1Å; L461-I498 CarbonylContact O-C 3.51Å; L461-I498 VanDerWaalsContact O-CA 3.25Å; L461-I498 WeakPolarHBondContact O-CA 3.44Å; L461-I498 WeakPolarHBondContact O-CG1 3.24Å; L461-C499 PolarHBondContact N-O 2.93Å; L461-C499 PolarHBondContact O-N 2.83Å; L461-V501 HydrophobicContact CD1-CG2 4.32Å; L461-S512 VanDerWaalsContact CD2-CB 3.48Å; L461-S512 WeakPolarHBondContact CD2-OG 3.27Å; L461-L529 HydrophobicContact CD2-CD2 4.18Å; L461-M531 HydrophobicContact CD1-CE 3.87Å; L461-M531 HydrophobicContact CD1-SD 4.24Å; L461-M531 HydrophobicContact CD2-CE 3.72Å; L461-M531 HydrophobicContact CD2-SD 3.75Å; L461-M531 HydrophobicContact CG-CE 4Å; L461-M531 HydrophobicContact CG-SD 3.82Å
462S95.1Very high84.2Confident3 Ų353.6 Ų53.62%0.02131%0.309CS..EExtended strand (participates in β ladder)trans-123.7141.6175.7176.70000110.4Q448 E451 C452 T497Q448-S462 PolarHBondContact N-O 2.97Å; Q448-S462 PolarHBondContact OE1-OG 3.25Å; E451-S462 WeakPolarHBondContact OE2-CB 3.43Å; E451-S462 PolarHBondContact OE2-OG 3.05Å; C452-S462 PolarHBondContact SG-N 3.05Å; C452-S462 VanDerWaalsContact SG-N 3.37Å; S462-T497 CarbonylContact C-O 3.58Å; S462-T497 WeakPolarHBondContact CA-O 3.36Å
463W96.6Very high84.4Confident0 Ų054.3 Ų54.30%031%0.313CS..EExtended strand (participates in β ladder)trans-147.9157.3179.85886000112.3P445 I446 L447 L461 Y476 L478 Y492 E496 T497 C499 V514P445-W463 HydrophobicContact CB-CB 4.36Å; I446-W463 CarbonylContact O-C 3.57Å; I446-W463 VanDerWaalsContact O-CA 3.23Å; I446-W463 WeakPolarHBondContact O-CA 3.46Å; L447-W463 HydrophobicContact CD2-CB 4.18Å; L461-W463 HydrophobicContact CB-CE3 4.24Å; L461-W463 HydrophobicContact CB-CZ3 3.99Å; L461-W463 WeakPolarHBondContact O-CZ3 3.19Å; W463-Y476 AromaticContact CD1-CD1 3.65Å; W463-Y476 AromaticContact CD1-CE1 3.78Å; W463-Y476 AromaticContact CD1-CG 3.92Å; W463-Y476 HydrophobicContact CZ2-CG 4.47Å; W463-Y476 AromaticContact NE1-CD1 3.35Å; W463-Y476 VanDerWaalsContact NE1-CD1 3.35Å; W463-Y476 AromaticContact NE1-CD2 3.44Å; W463-Y476 AromaticContact NE1-CE1 3.83Å; W463-Y476 AromaticContact NE1-CE2 3.93Å; W463-Y476 AromaticContact NE1-CG 3.13Å; W463-L478 HydrophobicContact CH2-CB 4.2Å; W463-L478 HydrophobicContact CH2-CD2 4.17Å; W463-L478 HydrophobicContact CZ3-CD1 4.37Å; W463-L478 HydrophobicContact CZ3-CD2 4.02Å; W463-Y492 HydrophobicContact CH2-CD1 4.01Å; W463-Y492 HydrophobicContact CH2-CE1 4.3Å; W463-Y492 HydrophobicContact CZ2-CD1 4.06Å; W463-Y492 AromaticContact CZ2-CE1 3.99Å; W463-Y492 HydrophobicContact CZ2-CE1 3.99Å; W463-E496 VanDerWaalsContact CZ2-O 3.27Å; W463-E496 WeakPolarHBondContact CZ2-O 3.39Å; W463-T497 PolarHBondContact N-O 2.83Å; W463-T497 WeakPolarHBondContact O-CB 3.32Å; W463-T497 WeakPolarHBondContact O-CG2 3.48Å; W463-C499 HydrophobicContact CH2-CB 3.63Å; W463-C499 HydrophobicContact CZ3-CB 4.01Å; W463-V514 HydrophobicContact CB-CG1 4.02Å; W463-V514 HydrophobicContact CD2-CB 4.41Å; W463-V514 HydrophobicContact CD2-CG1 4.26Å; W463-V514 HydrophobicContact CD2-CG2 3.85Å; W463-V514 HydrophobicContact CE3-CG2 4.25Å; W463-V514 HydrophobicContact CG-CG1 3.96Å; W463-V514 HydrophobicContact CG-CG2 4.22Å; W463-V514 HydrophobicContact CH2-CG2 4.46Å; W463-V514 HydrophobicContact CZ2-CG2 4.09Å
464K94.3Very high85Confident98 Ų9856.5 Ų56.543%0.42632%0.318SS..EExtended strand (participates in β ladder)trans-138.4160176.562.8-175.5175.5-167.20113I446 Q448I446-K464 HydrophobicContact CB-CG 4.32Å; I446-K464 PolarHBondContact N-O 3.39Å; I446-K464 PolarHBondContact O-N 3Å; Q448-K464 HydrophobicContact CG-CD 4.05Å; Q448-K464 HydrophobicContact CG-CG 4.12Å
465Q90.6Very high85.8Confident61 Ų6154.3 Ų54.329%0.28531%0.305SS..  trans-67.8145.3172-172.2172.2-3.400111.2S469 I471 V473Q465-S469 VanDerWaalsContact NE2-CB 3.29Å; Q465-S469 PolarHBondContact NE2-O 3.33Å; Q465-S469 PolarHBondContact NE2-OG 2.96Å; Q465-I471 PolarHBondContact NE2-O 3.21Å; Q465-V473 HydrophobicContact CG-CG2 4.46Å
466P88.8Confident87Confident29 Ų2949.3 Ų49.319%0.18828%0.281CS..  trans-57.6137.8174-26.535.4000112.8A443 A444 I446 L468 S469A443-P466 HydrophobicContact CB-CG 3.98Å; A444-P466 VanDerWaalsContact O-CG 3.28Å; A444-P466 WeakPolarHBondContact O-CG 3.33Å; I446-P466 HydrophobicContact CD1-CB 4.1Å; I446-P466 HydrophobicContact CD1-CG 4.19Å; I446-P466 HydrophobicContact CG1-CG 4.15Å; P466-L468 PolarHBondContact O-N 2.87Å; P466-S469 WeakPolarHBondContact O-CB 3.21Å; P466-S469 PolarHBondContact O-N 3.02Å
467P78.1Confident88.2Confident120 Ų12046.4 Ų46.478%0.77927%0.265SS*.THydrogen-bonded Turntrans-59.3-19.8-169.8-25.632.7000116.9
468L76.9Confident89.1Confident166 Ų16644.1 Ų44.187%0.86925%0.253SS*.THydrogen-bonded Turntrans-110.25.8-178.3-64.1172000112.6P466 T470P466-L468 PolarHBondContact O-N 2.87Å; L468-T470 PolarHBondContact O-N 3.4Å
469S79.5Confident89.8Confident29 Ų2944 Ų4420%0.20325%0.251CS..  trans-76.8118.2178.8-173.80000109.5Q465 P466Q465-S469 VanDerWaalsContact NE2-CB 3.29Å; Q465-S469 PolarHBondContact NE2-O 3.33Å; Q465-S469 PolarHBondContact NE2-OG 2.96Å; P466-S469 WeakPolarHBondContact O-CB 3.21Å; P466-S469 PolarHBondContact O-N 3.02Å
470T76.6Confident90.1Very high121 Ų12144.2 Ų44.274%0.74225%0.252SS*.  trans-95.8-1.6175.754.60000112.8L468L468-T470 PolarHBondContact O-N 3.4Å
471I84.2Confident90.2Very high19 Ų1943.5 Ų43.510%0.09725%0.247CC..SBendtrans-78.9128.4-179.9-49.9-56.5000108.8V437 K440 Q465V437-I471 HydrophobicContact CB-CD1 4.26Å; V437-I471 HydrophobicContact CG1-CD1 3.68Å; V437-I471 HydrophobicContact CG2-CD1 4.3Å; K440-I471 HydrophobicContact CB-CD1 3.9Å; K440-I471 HydrophobicContact CB-CG1 4.41Å; K440-I471 HydrophobicContact CD-CD1 4.31Å; K440-I471 WeakPolarHBondContact O-CG2 3.47Å; Q465-I471 PolarHBondContact NE2-O 3.21Å
472A84.3Confident89.9Confident75 Ų7546.5 Ų46.562%0.6226%0.263SS*.  trans-68.4137.8176.200000111N518A472-N518 WeakPolarHBondContact O-CB 3.3Å; A472-N518 PolarHBondContact O-ND2 3.21Å
473V90.1Very high89.3Confident36 Ų3646.7 Ų46.722%0.21827%0.265CS..  trans-107.5126.8176.7-177.50000108.5P442 Q465 G475 Y476 A516P442-V473 HydrophobicContact CB-CG2 4.01Å; P442-V473 HydrophobicContact CG-CG2 4.27Å; Q465-V473 HydrophobicContact CG-CG2 4.46Å; V473-G475 VanDerWaalsContact CG1-O 3.25Å; V473-G475 WeakPolarHBondContact CG1-O 3.37Å; V473-Y476 HydrophobicContact CG1-CD1 4.47Å; V473-Y476 HydrophobicContact CG1-CE1 3.96Å; V473-Y476 HydrophobicContact CG1-CE2 4.01Å; V473-A516 HydrophobicContact CG1-CB 3.79Å; V473-A516 HydrophobicContact CG2-CB 4.34Å
474E93.8Very high88.5Confident99 Ų9951.8 Ų51.846%0.46329%0.293SS..  trans-90.7-25.5176.1-67173.6-161.800111.7T495 F517 N518 S519E474-T495 VanDerWaalsContact O-CG2 3.25Å; E474-T495 WeakPolarHBondContact O-CG2 3.35Å; E474-F517 HydrophobicContact CB-CD2 4.45Å; E474-F517 HydrophobicContact CB-CE2 4.27Å; E474-F517 PolarHBondContact N-O 2.98Å; E474-N518 HydrophobicContact CG-CB 4.09Å; E474-S519 VanDerWaalsContact OE1-CB 3.24Å; E474-S519 WeakPolarHBondContact OE1-CB 3.45Å; E474-S519 PolarHBondContact OE1-N 3.32Å; E474-S519 PolarHBondContact OE1-OG 3.17Å; E474-S519 PolarHBondContact OE2-N 3.48Å
475G95.3Very high87.8Confident1 Ų149.7 Ų49.71%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-178.2-175.9173.100000113.7V473 G494 A516 F517V473-G475 VanDerWaalsContact CG1-O 3.25Å; V473-G475 WeakPolarHBondContact CG1-O 3.37Å; G475-G494 CarbonylContact C-O 3.57Å; G475-G494 WeakPolarHBondContact CA-O 3.43Å; G475-A516 CarbonylContact O-C 3.5Å; G475-A516 WeakPolarHBondContact O-CA 3.2Å; G475-F517 VanDerWaalsContact C-CD1 3.44Å; G475-F517 PolarHBondContact N-O 3.48Å; G475-F517 VanDerWaalsContact O-CD1 3.32Å; G475-F517 WeakPolarHBondContact O-CD1 3.5Å; G475-F517 PolarHBondContact O-N 3.26Å
476Y97.7Very high87.5Confident16 Ų1648 Ų486%0.06330%0.299CS..EExtended strand (participates in β ladder)trans-129.2148.9-178.1-58.3-85.8000110.4P445 W463 V473 V493 G494 T497 K515 A516P445-Y476 HydrophobicContact CB-CD1 4.32Å; P445-Y476 HydrophobicContact CB-CE1 4.1Å; P445-Y476 HydrophobicContact CG-CD1 3.71Å; P445-Y476 HydrophobicContact CG-CE1 3.75Å; W463-Y476 AromaticContact CD1-CD1 3.65Å; W463-Y476 AromaticContact CD1-CE1 3.78Å; W463-Y476 AromaticContact CD1-CG 3.92Å; W463-Y476 HydrophobicContact CZ2-CG 4.47Å; W463-Y476 AromaticContact NE1-CD1 3.35Å; W463-Y476 VanDerWaalsContact NE1-CD1 3.35Å; W463-Y476 AromaticContact NE1-CD2 3.44Å; W463-Y476 AromaticContact NE1-CE1 3.83Å; W463-Y476 AromaticContact NE1-CE2 3.93Å; W463-Y476 AromaticContact NE1-CG 3.13Å; V473-Y476 HydrophobicContact CG1-CD1 4.47Å; V473-Y476 HydrophobicContact CG1-CE1 3.96Å; V473-Y476 HydrophobicContact CG1-CE2 4.01Å; Y476-V493 VanDerWaalsContact O-CA 3.32Å; Y476-V493 WeakPolarHBondContact O-CA 3.42Å; Y476-G494 PolarHBondContact N-O 3.13Å; Y476-G494 PolarHBondContact O-N 3.32Å; Y476-T497 HydrophobicContact CE2-CG2 3.96Å; Y476-K515 CarbonylContact C-O 3.56Å; Y476-K515 VanDerWaalsContact CA-O 3.27Å; Y476-K515 WeakPolarHBondContact CA-O 3.38Å; Y476-A516 HydrophobicContact CD1-CB 3.78Å; Y476-A516 HydrophobicContact CE1-CB 3.75Å
477I97.7Very high87.5Confident16 Ų1650.9 Ų50.98%0.08232%0.317CS..EExtended strand (participates in β ladder)trans-120.4117.8172.1-61.1160.9000107E479 E490 Y492 V493 V514 K515 F517I477-E479 HydrophobicContact CG2-CG 4.39Å; I477-E490 HydrophobicContact CG2-CB 4.44Å; I477-E490 HydrophobicContact CG2-CG 3.83Å; I477-Y492 WeakPolarHBondContact CA-O 3.41Å; I477-V493 HydrophobicContact CG1-CG1 4.09Å; I477-V493 HydrophobicContact CG1-CG2 4.1Å; I477-V493 HydrophobicContact CG2-CG2 4.34Å; I477-V514 CarbonylContact O-C 3.52Å; I477-V514 WeakPolarHBondContact O-CA 3.34Å; I477-V514 WeakPolarHBondContact O-CG2 3.27Å; I477-K515 HydrophobicContact CB-CD 4.4Å; I477-K515 HydrophobicContact CB-CG 3.88Å; I477-K515 VanDerWaalsContact CD1-CE 3.4Å; I477-K515 HydrophobicContact CD1-CG 4.44Å; I477-K515 PolarHBondContact N-O 2.85Å; I477-K515 PolarHBondContact O-N 2.79Å; I477-F517 HydrophobicContact CD1-CD1 3.92Å; I477-F517 HydrophobicContact CD1-CE1 4.38Å; I477-F517 HydrophobicContact CG1-CD1 3.84Å; I477-F517 HydrophobicContact CG1-CE1 3.97Å
478L97.3Very high88.3Confident0 Ų048 Ų480%029%0.292CS..EExtended strand (participates in β ladder)trans-98.7130173.917465.8000109.1L461 W463 V491 Y492 C499 V501 V514L461-L478 HydrophobicContact CD1-CD2 4Å; L461-L478 HydrophobicContact CD2-CD1 4.1Å; W463-L478 HydrophobicContact CH2-CB 4.2Å; W463-L478 HydrophobicContact CH2-CD2 4.17Å; W463-L478 HydrophobicContact CZ3-CD1 4.37Å; W463-L478 HydrophobicContact CZ3-CD2 4.02Å; L478-V491 HydrophobicContact CB-CG2 4.2Å; L478-V491 HydrophobicContact CD2-CG2 3.76Å; L478-V491 HydrophobicContact CG-CG2 3.63Å; L478-V491 WeakPolarHBondContact O-CG2 3.49Å; L478-V491 PolarHBondContact O-N 2.97Å; L478-Y492 HydrophobicContact CB-CD1 4.46Å; L478-Y492 PolarHBondContact N-O 3.22Å; L478-Y492 PolarHBondContact O-N 3.45Å; L478-C499 HydrophobicContact CD2-CB 4Å; L478-V501 HydrophobicContact CD2-CG2 4.16Å; L478-V514 HydrophobicContact CB-CG2 4.31Å; L478-V514 HydrophobicContact CD1-CB 4.31Å
479E97.1Very high89.1Confident12 Ų1248.3 Ų48.36%0.05628%0.282CS..EExtended strand (participates in β ladder)trans-117.4142175.2-72.4172.3-15800111.1I477 F488 R489 E490 S512 R513 K515 Y525I477-E479 HydrophobicContact CG2-CG 4.39Å; E479-F488 HydrophobicContact CB-CB 4.12Å; E479-F488 HydrophobicContact CB-CD1 4.11Å; E479-R489 CarbonylContact C-O 3.49Å; E479-R489 WeakPolarHBondContact CA-O 3.48Å; E479-E490 HydrophobicContact CG-CG 4.04Å; E479-S512 VanDerWaalsContact O-CA 3.27Å; E479-S512 WeakPolarHBondContact O-CA 3.49Å; E479-R513 HydrophobicContact CB-CG 4.1Å; E479-R513 PolarHBondContact N-O 2.94Å; E479-R513 PolarHBondContact O-N 3.41Å; E479-R513 IonicContact OE2-CZ 3.55Å; E479-R513 VanDerWaalsContact OE2-CZ 3.24Å; E479-R513 IonicContact OE2-NE 2.71Å; E479-R513 PolarHBondContact OE2-NE 3.21Å; E479-R513 IonicContact OE2-NH2 3.22Å; E479-R513 PolarHBondContact OE2-NH2 3.3Å; E479-K515 IonicContact OE1-NZ 3.09Å; E479-K515 PolarHBondContact OE1-NZ 3.37Å; E479-Y525 HydrophobicContact CG-CE1 4.48Å; E479-Y525 WeakPolarHBondContact OE1-CE1 3.48Å; E479-Y525 PolarHBondContact OE1-OH 3.14Å; E479-Y525 VanDerWaalsContact OE2-CE1 3.29Å; E479-Y525 WeakPolarHBondContact OE2-CE1 3.39Å; E479-Y525 PolarHBondContact OE2-OH 3.25Å; E479-Y525 VanDerWaalsContact OE2-OH 3.07Å
480L94.7Very high89.9Confident5 Ų552.5 Ų52.53%0.02630%0.298CS..EExtended strand (participates in β ladder)trans-130.5143.1176-15396.2000109.4F488 R489 V491 L504 Y510 K511 M531L480-F488 CarbonylContact O-C 3.59Å; L480-F488 WeakPolarHBondContact O-CA 3.36Å; L480-R489 PolarHBondContact N-O 3.35Å; L480-R489 PolarHBondContact O-N 2.89Å; L480-V491 HydrophobicContact CB-CG1 3.83Å; L480-V491 HydrophobicContact CB-CG2 4.1Å; L480-L504 HydrophobicContact CD2-CD1 4.43Å; L480-L504 HydrophobicContact CD2-CD2 3.54Å; L480-Y510 HydrophobicContact CD2-CD1 3.26Å; L480-Y510 HydrophobicContact CD2-CE1 3.78Å; L480-Y510 HydrophobicContact CD2-CG 3.9Å; L480-Y510 HydrophobicContact CG-CD1 3.94Å; L480-Y510 HydrophobicContact CG-CG 4.46Å; L480-K511 WeakPolarHBondContact CA-O 3.38Å; L480-M531 HydrophobicContact CD1-CE 3.86Å
481D92.5Very high90.7Very high8 Ų849.6 Ų49.64%0.04328%0.28CS..  trans-78.6-177.8168.573-6.1000111.9G483 F488 Y510 K511D481-G483 VanDerWaalsContact C-N 3.27Å; D481-G483 PolarHBondContact O-N 2.85Å; D481-G483 PolarHBondContact OD1-N 3.17Å; D481-F488 HydrophobicContact CB-CD1 4.42Å; D481-Y510 VanDerWaalsContact O-CD1 3.27Å; D481-Y510 WeakPolarHBondContact O-CD1 3.4Å; D481-Y510 WeakPolarHBondContact O-CE1 3.39Å; D481-Y510 VanDerWaalsContact OD1-CA 3.25Å; D481-Y510 WeakPolarHBondContact OD1-CA 3.34Å; D481-K511 HydrophobicContact CB-CB 4.5Å; D481-K511 VanDerWaalsContact CG-N 3.33Å; D481-K511 PolarHBondContact N-O 3.43Å; D481-K511 PolarHBondContact OD1-N 3.42Å; D481-K511 WeakPolarHBondContact OD2-CB 3.39Å; D481-K511 WeakPolarHBondContact OD2-CG 3.48Å; D481-K511 PolarHBondContact OD2-N 3.38Å
482D86.1Confident91.3Very high62 Ų6251 Ų5133%0.33229%0.285SS..  trans-83.94.5-178.266.2-3.7000114.2N484 G485 G486D482-N484 PolarHBondContact O-N 3.31Å; D482-N484 WeakPolarHBondContact OD1-CA 3.46Å; D482-N484 PolarHBondContact OD1-N 2.97Å; D482-G485 PolarHBondContact OD1-N 3.04Å; D482-G486 WeakPolarHBondContact OD1-CA 3.41Å; D482-G486 PolarHBondContact OD1-N 2.85Å; D482-G486 WeakPolarHBondContact OD2-CA 3.24Å
483G83.1Confident91.9Very high7 Ų751.4 Ų51.47%0.07228%0.279CS..SBendtrans76.96.2-176.300000114.1D481 T509 Y510D481-G483 VanDerWaalsContact C-N 3.27Å; D481-G483 PolarHBondContact O-N 2.85Å; D481-G483 PolarHBondContact OD1-N 3.17Å; G483-T509 CarbonylContact C-O 3.6Å; G483-T509 WeakPolarHBondContact CA-O 3.37Å; G483-Y510 VanDerWaalsContact CA-CE1 3.42Å; G483-Y510 VanDerWaalsContact N-CD1 3.33Å
484N80.8Confident92.1Very high107 Ų10750.6 Ų50.657%0.57228%0.279SS*.SBendtrans-129.618.7177.1-157.748.3000112.7D482 G486 R590D482-N484 PolarHBondContact O-N 3.31Å; D482-N484 WeakPolarHBondContact OD1-CA 3.46Å; D482-N484 PolarHBondContact OD1-N 2.97Å; N484-G486 VanDerWaalsContact C-N 3.31Å; N484-R590 PolarHBondContact ND2-NH2 3.45Å; N484-R590 PolarHBondContact OD1-NH2 2.9Å
485G77.9Confident92.2Very high54 Ų5450.5 Ų50.556%0.55729%0.285SS*.SBendtrans74.617.7-177.900000114.6D482D482-G485 PolarHBondContact OD1-N 3.04Å
486G84.2Confident92.2Very high27 Ų2755.7 Ų55.728%0.27831%0.309SS..  trans-73.1-171.1170.900000113.6D482 N484D482-G486 WeakPolarHBondContact OD1-CA 3.41Å; D482-G486 PolarHBondContact OD1-N 2.85Å; D482-G486 WeakPolarHBondContact OD2-CA 3.24Å; N484-G486 VanDerWaalsContact C-N 3.31Å
487P89.8Confident92.1Very high89 Ų8957.7 Ų57.758%0.57832%0.323SS*.  trans-70.2146.2-176.429.3-34.5000112
488F95Very high91.9Very high59 Ų5961 Ų6126%0.25934%0.339SS..  trans-63138.7169.2-75.5-81.9000111.2E479 L480 D481 K511 R513 T528E479-F488 HydrophobicContact CB-CB 4.12Å; E479-F488 HydrophobicContact CB-CD1 4.11Å; L480-F488 CarbonylContact O-C 3.59Å; L480-F488 WeakPolarHBondContact O-CA 3.36Å; D481-F488 HydrophobicContact CB-CD1 4.42Å; F488-K511 HydrophobicContact CE1-CB 3.86Å; F488-K511 VanDerWaalsContact CE1-O 3.25Å; F488-K511 WeakPolarHBondContact CE1-O 3.36Å; F488-K511 HydrophobicContact CZ-CB 3.74Å; F488-R513 HydrophobicContact CD1-CG 4.1Å; F488-R513 HydrophobicContact CE1-CG 3.96Å; F488-R513 HydrophobicContact CZ-CG 4.48Å; F488-T528 HydrophobicContact CZ-CG2 4.23Å
489R93.7Very high91.8Very high173 Ų17361.8 Ų61.865%0.65335%0.345SS*.EExtended strand (participates in β ladder)trans-127.7145.9175-66-176.4176.7162.41.4110.5E479 L480 V491E479-R489 CarbonylContact C-O 3.49Å; E479-R489 WeakPolarHBondContact CA-O 3.48Å; L480-R489 PolarHBondContact N-O 3.35Å; L480-R489 PolarHBondContact O-N 2.89Å; R489-V491 PolarHBondContact O-N 2.95Å
490E95.8Very high91.6Very high117 Ų11764.4 Ų64.455%0.54736%0.362SS..EExtended strand (participates in β ladder)trans-69.9119.2176.2-61.6-177.6165.900109.4I477 E479 K515I477-E490 HydrophobicContact CG2-CB 4.44Å; I477-E490 HydrophobicContact CG2-CG 3.83Å; E479-E490 HydrophobicContact CG-CG 4.04Å; E490-K515 IonicContact OE1-NZ 2.75Å
491V94.4Very high91.4Very high60 Ų6065 Ų6536%0.36437%0.366SS..EExtended strand (participates in β ladder)trans-109.7-17.9179.1-65.60000112L478 L480 R489 V501L478-V491 HydrophobicContact CB-CG2 4.2Å; L478-V491 HydrophobicContact CD2-CG2 3.76Å; L478-V491 HydrophobicContact CG-CG2 3.63Å; L478-V491 WeakPolarHBondContact O-CG2 3.49Å; L478-V491 PolarHBondContact O-N 2.97Å; L480-V491 HydrophobicContact CB-CG1 3.83Å; L480-V491 HydrophobicContact CB-CG2 4.1Å; R489-V491 PolarHBondContact O-N 2.95Å; V491-V501 HydrophobicContact CB-CG1 4.43Å; V491-V501 HydrophobicContact CB-CG2 4.27Å; V491-V501 HydrophobicContact CG1-CG1 4.44Å; V491-V501 HydrophobicContact CG2-CG2 3.85Å
492Y96.6Very high91.1Very high49 Ų4970 Ų7019%0.19239%0.392CS..EExtended strand (participates in β ladder)trans-151.6139.9174.6170.5-91.3000111.9W463 I477 L478 G494 T495 E496 C499W463-Y492 HydrophobicContact CH2-CD1 4.01Å; W463-Y492 HydrophobicContact CH2-CE1 4.3Å; W463-Y492 HydrophobicContact CZ2-CD1 4.06Å; W463-Y492 AromaticContact CZ2-CE1 3.99Å; W463-Y492 HydrophobicContact CZ2-CE1 3.99Å; I477-Y492 WeakPolarHBondContact CA-O 3.41Å; L478-Y492 HydrophobicContact CB-CD1 4.46Å; L478-Y492 PolarHBondContact N-O 3.22Å; L478-Y492 PolarHBondContact O-N 3.45Å; Y492-G494 VanDerWaalsContact OH-CA 3.25Å; Y492-G494 WeakPolarHBondContact OH-CA 3.36Å; Y492-T495 PolarHBondContact OH-N 3.07Å; Y492-E496 WeakPolarHBondContact OH-CA 3.25Å; Y492-E496 WeakPolarHBondContact OH-CB 3.43Å; Y492-E496 PolarHBondContact OH-N 3.25Å; Y492-C499 VanDerWaalsContact CB-SG 3.56Å; Y492-C499 HydrophobicContact CD1-CB 4.47Å; Y492-C499 HydrophobicContact CD2-CB 4.32Å; Y492-C499 HydrophobicContact CG-CB 4.12Å
493V96.5Very high90.7Very high82 Ų8269.9 Ų69.950%0.49741%0.406SS..EExtended strand (participates in β ladder)trans-136.9117.7170.7-174.80000108.6Y476 I477 F517Y476-V493 VanDerWaalsContact O-CA 3.32Å; Y476-V493 WeakPolarHBondContact O-CA 3.42Å; I477-V493 HydrophobicContact CG1-CG1 4.09Å; I477-V493 HydrophobicContact CG1-CG2 4.1Å; I477-V493 HydrophobicContact CG2-CG2 4.34Å; V493-F517 HydrophobicContact CG1-CE1 4.04Å; V493-F517 HydrophobicContact CG1-CZ 4.26Å
494G94.9Very high90.8Very high20 Ų2070.3 Ų70.321%0.20641%0.406CS..EExtended strand (participates in β ladder)trans169.9-173.4179.800000114.3G475 Y476 Y492G475-G494 CarbonylContact C-O 3.57Å; G475-G494 WeakPolarHBondContact CA-O 3.43Å; Y476-G494 PolarHBondContact N-O 3.13Å; Y476-G494 PolarHBondContact O-N 3.32Å; Y492-G494 VanDerWaalsContact OH-CA 3.25Å; Y492-G494 WeakPolarHBondContact OH-CA 3.36Å
495T95.5Very high90.6Very high96 Ų9668.5 Ų68.559%0.58939%0.394SS*.SBendtrans-86.2-17.3-174.2480000114.5E474 Y492E474-T495 VanDerWaalsContact O-CG2 3.25Å; E474-T495 WeakPolarHBondContact O-CG2 3.35Å; Y492-T495 PolarHBondContact OH-N 3.07Å
496E95.1Very high90.4Very high110 Ų11067.4 Ų67.451%0.51437%0.374SS..  trans-67.8151.8-176.7-56.9-58.413500110.8W463 Y492W463-E496 VanDerWaalsContact CZ2-O 3.27Å; W463-E496 WeakPolarHBondContact CZ2-O 3.39Å; Y492-E496 WeakPolarHBondContact OH-CA 3.25Å; Y492-E496 WeakPolarHBondContact OH-CB 3.43Å; Y492-E496 PolarHBondContact OH-N 3.25Å
497T95.6Very high89.7Confident59 Ų5970 Ų7036%0.36238%0.381SS..SBendtrans-102.80.8-178.839.80000112.6S462 W463 Y476S462-T497 CarbonylContact C-O 3.58Å; S462-T497 WeakPolarHBondContact CA-O 3.36Å; W463-T497 PolarHBondContact N-O 2.83Å; W463-T497 WeakPolarHBondContact O-CB 3.32Å; W463-T497 WeakPolarHBondContact O-CG2 3.48Å; Y476-T497 HydrophobicContact CE2-CG2 3.96Å
498I94.3Very high89.2Confident84 Ų8466.1 Ų66.143%0.43136%0.357SS..EExtended strand (participates in β ladder)trans-136.5137.7177.1-169.1169000109.4T460 L461T460-I498 HydrophobicContact CG2-CD1 3.89Å; T460-I498 HydrophobicContact CG2-CG1 3.83Å; L461-I498 CarbonylContact O-C 3.51Å; L461-I498 VanDerWaalsContact O-CA 3.25Å; L461-I498 WeakPolarHBondContact O-CA 3.44Å; L461-I498 WeakPolarHBondContact O-CG1 3.24Å
499C94.8Very high88.6Confident17 Ų1766.3 Ų66.312%0.11536%0.363CS..EExtended strand (participates in β ladder)trans-145.4133.5178.1177.70000110.4T460 L461 W463 L478 Y492T460-C499 CarbonylContact C-O 3.51Å; T460-C499 WeakPolarHBondContact CA-O 3.36Å; L461-C499 PolarHBondContact N-O 2.93Å; L461-C499 PolarHBondContact O-N 2.83Å; W463-C499 HydrophobicContact CH2-CB 3.63Å; W463-C499 HydrophobicContact CZ3-CB 4.01Å; L478-C499 HydrophobicContact CD2-CB 4Å; Y492-C499 VanDerWaalsContact CB-SG 3.56Å; Y492-C499 HydrophobicContact CD1-CB 4.47Å; Y492-C499 HydrophobicContact CD2-CB 4.32Å; Y492-C499 HydrophobicContact CG-CB 4.12Å
500T92.2Very high88.4Confident67 Ų6758.5 Ų58.541%0.41133%0.333SS..EExtended strand (participates in β ladder)trans-101.8126.9170.3-57.30000109.3A459 T460A459-T500 CarbonylContact O-C 3.57Å; A459-T500 WeakPolarHBondContact O-CA 3.43Å; T460-T500 PolarHBondContact OG1-OG1 2.84Å
501V91.3Very high88.1Confident18 Ų1857 Ų5711%0.10933%0.325CS..EExtended strand (participates in β ladder)trans-105.3111.7175.3-172.40000107.7S458 A459 L461 L478 V491 L504S458-V501 CarbonylContact C-O 3.59Å; S458-V501 WeakPolarHBondContact CA-O 3.28Å; S458-V501 WeakPolarHBondContact CB-O 3.34Å; A459-V501 PolarHBondContact N-O 3.04Å; A459-V501 PolarHBondContact O-N 2.89Å; L461-V501 HydrophobicContact CD1-CG2 4.32Å; L478-V501 HydrophobicContact CD2-CG2 4.16Å; V491-V501 HydrophobicContact CB-CG1 4.43Å; V491-V501 HydrophobicContact CB-CG2 4.27Å; V491-V501 HydrophobicContact CG1-CG1 4.44Å; V491-V501 HydrophobicContact CG2-CG2 3.85Å; V501-L504 HydrophobicContact CG1-CD2 3.85Å; V501-L504 HydrophobicContact CG1-CG 4.41Å
502D85.3Confident88.1Confident113 Ų11354.1 Ų54.160%0.60431%0.308SS*.  trans-95.7166.6178.8-63.1-57.7000112.2S458S458-D502 WeakPolarHBondContact CB-OD1 3.24Å
503G79Confident88.1Confident59 Ų5954.6 Ų54.661%0.60831%0.309SS*.SBendtrans76.621.9173.400000114.7N457N457-G503 PolarHBondContact O-N 3.14Å; N457-G503 VanDerWaalsContact O-N 3.13Å
504L84.5Confident88.1Confident17 Ų1750.7 Ų50.79%0.08929%0.286CS..PPolyproline II helixtrans-72.3155.9176.6-57.6179.5000111.4N457 A459 L480 V501 Y510 T533N457-L504 VanDerWaalsContact CB-O 3.24Å; N457-L504 WeakPolarHBondContact CB-O 3.25Å; N457-L504 VanDerWaalsContact O-CB 3.3Å; N457-L504 WeakPolarHBondContact O-CB 3.36Å; N457-L504 PolarHBondContact O-N 3.06Å; A459-L504 HydrophobicContact CB-CD1 3.66Å; L480-L504 HydrophobicContact CD2-CD1 4.43Å; L480-L504 HydrophobicContact CD2-CD2 3.54Å; V501-L504 HydrophobicContact CG1-CD2 3.85Å; V501-L504 HydrophobicContact CG1-CG 4.41Å; L504-Y510 HydrophobicContact CB-CD2 4.5Å; L504-Y510 HydrophobicContact CB-CE2 3.76Å; L504-Y510 HydrophobicContact CD1-CD2 4.31Å; L504-Y510 HydrophobicContact CD1-CE2 4.36Å; L504-Y510 HydrophobicContact CD2-CD1 4.42Å; L504-Y510 HydrophobicContact CD2-CE1 3.95Å; L504-Y510 HydrophobicContact CD2-CE2 4.36Å; L504-Y510 HydrophobicContact CG-CE2 4.39Å; L504-T533 HydrophobicContact CB-CG2 3.71Å; L504-T533 HydrophobicContact CD1-CG2 3.81Å; L504-T533 HydrophobicContact CG-CG2 4.43Å
505H76.9Confident88.2Confident68 Ų6850.8 Ų50.832%0.31528%0.28SS..PPolyproline II helixtrans-67.6138.5173.4-65.1-54.6000110.4S508 Y510 T533 S589H505-S508 WeakPolarHBondContact CB-OG 3.45Å; H505-S508 WeakPolarHBondContact O-CB 3.44Å; H505-Y510 WeakPolarHBondContact CB-OH 3.39Å; H505-Y510 PolarHBondContact CD2-OH 3.12Å; H505-Y510 PolarHBondContact N-OH 3.29Å; H505-T533 WeakPolarHBondContact O-CB 3.43Å; H505-T533 PolarHBondContact O-OG1 3.35Å; H505-S589 PolarHBondContact CE1-OG 3.42Å; H505-S589 PolarHBondContact ND1-OG 3.33Å; H505-S589 VanDerWaalsContact ND1-OG 3.12Å
506F72.6Confident88.3Confident31 Ų3146.3 Ų46.314%0.13625%0.253CS..THydrogen-bonded Turntrans-65.1153.7172.2-68.7-82000111.1N456 N457 S508 A586 F588N456-F506 HydrophobicContact CB-CE1 4.33Å; N457-F506 HydrophobicContact CB-CD1 4.37Å; N457-F506 HydrophobicContact CB-CE1 3.88Å; N457-F506 HydrophobicContact CB-CE2 4.05Å; N457-F506 HydrophobicContact CB-CZ 3.7Å; F506-S508 PolarHBondContact O-N 3.37Å; F506-S508 VanDerWaalsContact O-N 3.07Å; F506-S508 PolarHBondContact O-OG 2.96Å; F506-A586 HydrophobicContact CE2-CB 4.4Å; F506-F588 HydrophobicContact CD2-CD1 4.29Å; F506-F588 HydrophobicContact CD2-CE1 4.19Å; F506-F588 HydrophobicContact CE2-CD1 4.38Å; F506-F588 AromaticContact CE2-CE1 3.98Å; F506-F588 HydrophobicContact CE2-CE1 3.98Å
507N70.8Confident88.2Confident81 Ų8143.3 Ų43.343%0.43324%0.238SC..THydrogen-bonded Turntrans46.340.8178.5-16833.2000113.3T533 Q535N507-T533 PolarHBondContact N-OG1 3.49Å; N507-Q535 HydrophobicContact CB-CG 4.24Å; N507-Q535 PolarHBondContact ND2-NE2 2.67Å; N507-Q535 WeakPolarHBondContact OD1-CG 3.31Å; N507-Q535 PolarHBondContact OD1-NE2 3.3Å
508S77.8Confident88.1Confident9 Ų941.2 Ų41.26%0.06323%0.225CC..  trans-124.7141.8-175.7-63.60000109.9H505 F506 T533H505-S508 WeakPolarHBondContact CB-OG 3.45Å; H505-S508 WeakPolarHBondContact O-CB 3.44Å; F506-S508 PolarHBondContact O-N 3.37Å; F506-S508 VanDerWaalsContact O-N 3.07Å; F506-S508 PolarHBondContact O-OG 2.96Å; S508-T533 PolarHBondContact N-OG1 2.93Å; S508-T533 VanDerWaalsContact N-OG1 3.12Å; S508-T533 PolarHBondContact O-N 3.02Å; S508-T533 PolarHBondContact O-OG1 3.37Å; S508-T533 VanDerWaalsContact O-OG1 3.13Å
509T83.4Confident87.8Confident63 Ų6342 Ų4239%0.38724%0.238SC..EExtended strand (participates in β ladder)trans-98.5111.4-177.8-61.50000109.2G483 I530 M531G483-T509 CarbonylContact C-O 3.6Å; G483-T509 WeakPolarHBondContact CA-O 3.37Å; T509-I530 HydrophobicContact CG2-CG2 3.34Å; T509-M531 CarbonylContact C-O 3.59Å
510Y88.4Confident87.2Confident8 Ų843.1 Ų43.13%0.03125%0.246CC..EExtended strand (participates in β ladder)trans-98.4139.2179.5-72.7-86.2000111.7L480 D481 G483 L504 H505 I530 M531 T533L480-Y510 HydrophobicContact CD2-CD1 3.26Å; L480-Y510 HydrophobicContact CD2-CE1 3.78Å; L480-Y510 HydrophobicContact CD2-CG 3.9Å; L480-Y510 HydrophobicContact CG-CD1 3.94Å; L480-Y510 HydrophobicContact CG-CG 4.46Å; D481-Y510 VanDerWaalsContact O-CD1 3.27Å; D481-Y510 WeakPolarHBondContact O-CD1 3.4Å; D481-Y510 WeakPolarHBondContact O-CE1 3.39Å; D481-Y510 VanDerWaalsContact OD1-CA 3.25Å; D481-Y510 WeakPolarHBondContact OD1-CA 3.34Å; G483-Y510 VanDerWaalsContact CA-CE1 3.42Å; G483-Y510 VanDerWaalsContact N-CD1 3.33Å; L504-Y510 HydrophobicContact CB-CD2 4.5Å; L504-Y510 HydrophobicContact CB-CE2 3.76Å; L504-Y510 HydrophobicContact CD1-CD2 4.31Å; L504-Y510 HydrophobicContact CD1-CE2 4.36Å; L504-Y510 HydrophobicContact CD2-CD1 4.42Å; L504-Y510 HydrophobicContact CD2-CE1 3.95Å; L504-Y510 HydrophobicContact CD2-CE2 4.36Å; L504-Y510 HydrophobicContact CG-CE2 4.39Å; H505-Y510 WeakPolarHBondContact CB-OH 3.39Å; H505-Y510 PolarHBondContact CD2-OH 3.12Å; H505-Y510 PolarHBondContact N-OH 3.29Å; Y510-I530 CarbonylContact O-C 3.49Å; Y510-I530 WeakPolarHBondContact O-CA 3.43Å; Y510-M531 PolarHBondContact N-O 3.43Å; Y510-M531 PolarHBondContact O-N 3.3Å; Y510-T533 HydrophobicContact CD2-CG2 3.89Å; Y510-T533 HydrophobicContact CE2-CG2 3.87Å
511K91Very high87Confident86 Ų8641.2 Ų41.237%0.37424%0.239SC..EExtended strand (participates in β ladder)trans-102.4132.7168.7-62.4175.9-173.9165.80108.7L480 D481 F488 T528 L529 I530L480-K511 WeakPolarHBondContact CA-O 3.38Å; D481-K511 HydrophobicContact CB-CB 4.5Å; D481-K511 VanDerWaalsContact CG-N 3.33Å; D481-K511 PolarHBondContact N-O 3.43Å; D481-K511 PolarHBondContact OD1-N 3.42Å; D481-K511 WeakPolarHBondContact OD2-CB 3.39Å; D481-K511 WeakPolarHBondContact OD2-CG 3.48Å; D481-K511 PolarHBondContact OD2-N 3.38Å; F488-K511 HydrophobicContact CE1-CB 3.86Å; F488-K511 VanDerWaalsContact CE1-O 3.25Å; F488-K511 WeakPolarHBondContact CE1-O 3.36Å; F488-K511 HydrophobicContact CZ-CB 3.74Å; K511-T528 HydrophobicContact CB-CG2 3.82Å; K511-T528 HydrophobicContact CG-CG2 4.34Å; K511-L529 CarbonylContact C-O 3.48Å; K511-L529 WeakPolarHBondContact CA-O 3.29Å; K511-I530 HydrophobicContact CG-CG1 4.32Å
512S93.6Very high87.1Confident0 Ų044 Ų440%026%0.256CS..EExtended strand (participates in β ladder)trans-127.7150.2179.167.90000111.9L461 E479 T528 L529L461-S512 VanDerWaalsContact CD2-CB 3.48Å; L461-S512 WeakPolarHBondContact CD2-OG 3.27Å; E479-S512 VanDerWaalsContact O-CA 3.27Å; E479-S512 WeakPolarHBondContact O-CA 3.49Å; S512-T528 CarbonylContact O-C 3.49Å; S512-T528 VanDerWaalsContact O-CA 3.24Å; S512-T528 WeakPolarHBondContact O-CA 3.41Å; S512-T528 WeakPolarHBondContact O-CG2 3.5Å; S512-L529 PolarHBondContact N-O 2.99Å; S512-L529 PolarHBondContact O-N 3.42Å; S512-L529 WeakPolarHBondContact OG-CB 3.28Å; S512-L529 PolarHBondContact OG-O 3.44Å
513R96.4Very high87.4Confident59 Ų5939 Ų3922%0.22323%0.232CC..EExtended strand (participates in β ladder)trans-154.5148.4174.760.1-175.4-172.6-176.81.5110.1E479 F488 Y525E479-R513 HydrophobicContact CB-CG 4.1Å; E479-R513 PolarHBondContact N-O 2.94Å; E479-R513 PolarHBondContact O-N 3.41Å; E479-R513 IonicContact OE2-CZ 3.55Å; E479-R513 VanDerWaalsContact OE2-CZ 3.24Å; E479-R513 IonicContact OE2-NE 2.71Å; E479-R513 PolarHBondContact OE2-NE 3.21Å; E479-R513 IonicContact OE2-NH2 3.22Å; E479-R513 PolarHBondContact OE2-NH2 3.3Å; F488-R513 HydrophobicContact CD1-CG 4.1Å; F488-R513 HydrophobicContact CE1-CG 3.96Å; F488-R513 HydrophobicContact CZ-CG 4.48Å; R513-Y525 HydrophobicContact CB-CD1 4.02Å; R513-Y525 VanDerWaalsContact CD-CD1 3.44Å; R513-Y525 HydrophobicContact CG-CD1 3.54Å; R513-Y525 HydrophobicContact CG-CE1 3.84Å; R513-Y525 HydrophobicContact CG-CG 4.36Å; R513-Y525 VanDerWaalsContact NE-CE1 3.31Å
514V97.4Very high88.2Confident0 Ų043.6 Ų43.60%024%0.237CC..EExtended strand (participates in β ladder)trans-126.2143.9-17976.20000110.5P445 L447 W463 I477 L478 Y525 S526P445-V514 HydrophobicContact CB-CG1 3.72Å; P445-V514 HydrophobicContact CG-CG1 3.93Å; L447-V514 HydrophobicContact CD2-CG1 4.19Å; W463-V514 HydrophobicContact CB-CG1 4.02Å; W463-V514 HydrophobicContact CD2-CB 4.41Å; W463-V514 HydrophobicContact CD2-CG1 4.26Å; W463-V514 HydrophobicContact CD2-CG2 3.85Å; W463-V514 HydrophobicContact CE3-CG2 4.25Å; W463-V514 HydrophobicContact CG-CG1 3.96Å; W463-V514 HydrophobicContact CG-CG2 4.22Å; W463-V514 HydrophobicContact CH2-CG2 4.46Å; W463-V514 HydrophobicContact CZ2-CG2 4.09Å; I477-V514 CarbonylContact O-C 3.52Å; I477-V514 WeakPolarHBondContact O-CA 3.34Å; I477-V514 WeakPolarHBondContact O-CG2 3.27Å; L478-V514 HydrophobicContact CB-CG2 4.31Å; L478-V514 HydrophobicContact CD1-CB 4.31Å; V514-Y525 CarbonylContact O-C 3.55Å; V514-Y525 WeakPolarHBondContact O-CA 3.46Å; V514-S526 PolarHBondContact N-OG 3.03Å; V514-S526 WeakPolarHBondContact O-CB 3.45Å; V514-S526 PolarHBondContact O-N 3.27Å; V514-S526 PolarHBondContact O-OG 3.27Å
515K96.7Very high88.7Confident22 Ų2246.6 Ų46.610%0.09625%0.248CC..EExtended strand (participates in β ladder)trans-128.7150.3173.365.6-163.7-179-1570109.2Y476 I477 E479 E490 V522 Y525Y476-K515 CarbonylContact C-O 3.56Å; Y476-K515 VanDerWaalsContact CA-O 3.27Å; Y476-K515 WeakPolarHBondContact CA-O 3.38Å; I477-K515 HydrophobicContact CB-CD 4.4Å; I477-K515 HydrophobicContact CB-CG 3.88Å; I477-K515 VanDerWaalsContact CD1-CE 3.4Å; I477-K515 HydrophobicContact CD1-CG 4.44Å; I477-K515 PolarHBondContact N-O 2.85Å; I477-K515 PolarHBondContact O-N 2.79Å; E479-K515 IonicContact OE1-NZ 3.09Å; E479-K515 PolarHBondContact OE1-NZ 3.37Å; E490-K515 IonicContact OE1-NZ 2.75Å; K515-V522 HydrophobicContact CB-CG1 4.27Å; K515-V522 HydrophobicContact CD-CG1 3.39Å; K515-V522 HydrophobicContact CG-CG1 3.67Å; K515-Y525 HydrophobicContact CB-CD1 4Å; K515-Y525 HydrophobicContact CB-CE1 4.32Å; K515-Y525 HydrophobicContact CB-CG 4.42Å; K515-Y525 HydrophobicContact CD-CD1 4.08Å; K515-Y525 HydrophobicContact CD-CE1 3.52Å; K515-Y525 HydrophobicContact CD-CE2 4.25Å; K515-Y525 HydrophobicContact CG-CD1 4.37Å; K515-Y525 HydrophobicContact CG-CE1 4.19Å; K515-Y525 PolarHBondContact NZ-OH 3.06Å
516A96.3Very high89.6Confident1 Ų143.8 Ų43.81%0.00824%0.236CC..EExtended strand (participates in β ladder)trans-100151.9174.600000110.3P442 P445 V473 G475 Y476 G523P442-A516 HydrophobicContact CB-CB 3.52Å; P442-A516 HydrophobicContact CG-CB 4.16Å; P445-A516 HydrophobicContact CG-CB 3.83Å; V473-A516 HydrophobicContact CG1-CB 3.79Å; V473-A516 HydrophobicContact CG2-CB 4.34Å; G475-A516 CarbonylContact O-C 3.5Å; G475-A516 WeakPolarHBondContact O-CA 3.2Å; Y476-A516 HydrophobicContact CD1-CB 3.78Å; Y476-A516 HydrophobicContact CE1-CB 3.75Å; A516-G523 WeakPolarHBondContact O-CA 3.21Å; A516-G523 PolarHBondContact O-N 2.74Å
517F94.7Very high90.5Very high48 Ų4851.4 Ų51.421%0.21127%0.269CS..EExtended strand (participates in β ladder)trans-136.4157.1175.469.5-91.8000112.1E474 G475 I477 V493 G521 V522E474-F517 HydrophobicContact CB-CD2 4.45Å; E474-F517 HydrophobicContact CB-CE2 4.27Å; E474-F517 PolarHBondContact N-O 2.98Å; G475-F517 VanDerWaalsContact C-CD1 3.44Å; G475-F517 PolarHBondContact N-O 3.48Å; G475-F517 VanDerWaalsContact O-CD1 3.32Å; G475-F517 WeakPolarHBondContact O-CD1 3.5Å; G475-F517 PolarHBondContact O-N 3.26Å; I477-F517 HydrophobicContact CD1-CD1 3.92Å; I477-F517 HydrophobicContact CD1-CE1 4.38Å; I477-F517 HydrophobicContact CG1-CD1 3.84Å; I477-F517 HydrophobicContact CG1-CE1 3.97Å; V493-F517 HydrophobicContact CG1-CE1 4.04Å; V493-F517 HydrophobicContact CG1-CZ 4.26Å; F517-G521 WeakPolarHBondContact CA-O 3.39Å; F517-V522 HydrophobicContact CB-CB 4.46Å; F517-V522 HydrophobicContact CB-CG1 4.47Å; F517-V522 HydrophobicContact CB-CG2 4.13Å
518N92.4Very high91.5Very high14 Ų1451 Ų518%0.07527%0.27CS..EExtended strand (participates in β ladder)trans-143.9-175.4169.166.66.7000109.5K440 P442 A472 E474 S520 G521K440-N518 PolarHBondContact O-ND2 3.38Å; K440-N518 VanDerWaalsContact O-ND2 3.13Å; P442-N518 HydrophobicContact CG-CB 4Å; A472-N518 WeakPolarHBondContact O-CB 3.3Å; A472-N518 PolarHBondContact O-ND2 3.21Å; E474-N518 HydrophobicContact CG-CB 4.09Å; N518-S520 PolarHBondContact O-N 2.7Å; N518-S520 VanDerWaalsContact O-N 3.12Å; N518-S520 WeakPolarHBondContact OD1-CA 3.49Å; N518-S520 WeakPolarHBondContact OD1-CB 3.36Å; N518-S520 PolarHBondContact OD1-N 3.48Å; N518-S520 PolarHBondContact OD1-OG 3.37Å; N518-G521 PolarHBondContact N-O 3.42Å; N518-G521 PolarHBondContact O-N 2.89Å; N518-G521 PolarHBondContact OD1-N 3.08Å; N518-G521 PolarHBondContact OD1-O 3.44Å
519S87.5Confident92Very high102 Ų10252 Ų5271%0.71327%0.274SS*.THydrogen-bonded Turntrans-56.4-22.5175.734.90000114.9E474E474-S519 VanDerWaalsContact OE1-CB 3.24Å; E474-S519 WeakPolarHBondContact OE1-CB 3.45Å; E474-S519 PolarHBondContact OE1-N 3.32Å; E474-S519 PolarHBondContact OE1-OG 3.17Å; E474-S519 PolarHBondContact OE2-N 3.48Å
520S83.4Confident92.2Very high40 Ų4054.1 Ų54.128%0.2828%0.282SS..THydrogen-bonded Turntrans-78.1-22174.6-39.20000112.9Q438 N518Q438-S520 PolarHBondContact O-OG 3.11Å; N518-S520 PolarHBondContact O-N 2.7Å; N518-S520 VanDerWaalsContact O-N 3.12Å; N518-S520 WeakPolarHBondContact OD1-CA 3.49Å; N518-S520 WeakPolarHBondContact OD1-CB 3.36Å; N518-S520 PolarHBondContact OD1-N 3.48Å; N518-S520 PolarHBondContact OD1-OG 3.37Å
521G87.7Confident92Very high26 Ų2654.4 Ų54.427%0.26828%0.284SS..EExtended strand (participates in β ladder)trans136.1-162179.300000113.7F517 N518F517-G521 WeakPolarHBondContact CA-O 3.39Å; N518-G521 PolarHBondContact N-O 3.42Å; N518-G521 PolarHBondContact O-N 2.89Å; N518-G521 PolarHBondContact OD1-N 3.08Å; N518-G521 PolarHBondContact OD1-O 3.44Å
522V92.6Very high91.6Very high76 Ų7655.1 Ų55.146%0.46129%0.289SS..EExtended strand (participates in β ladder)trans-100.2130.2-173.8-1700000110.4K515 F517K515-V522 HydrophobicContact CB-CG1 4.27Å; K515-V522 HydrophobicContact CD-CG1 3.39Å; K515-V522 HydrophobicContact CG-CG1 3.67Å; F517-V522 HydrophobicContact CB-CB 4.46Å; F517-V522 HydrophobicContact CB-CG1 4.47Å; F517-V522 HydrophobicContact CB-CG2 4.13Å
523G92.7Very high90.8Very high10 Ų1055.2 Ų55.210%0.10329%0.289CS..EExtended strand (participates in β ladder)trans-74.8180176.500000113.9P442 A516P442-G523 VanDerWaalsContact O-CA 3.24Å; P442-G523 WeakPolarHBondContact O-CA 3.32Å; A516-G523 WeakPolarHBondContact O-CA 3.21Å; A516-G523 PolarHBondContact O-N 2.74Å
524Q94.6Very high89.1Confident154 Ų15453.7 Ų53.772%0.7229%0.287SS*.EExtended strand (participates in β ladder)trans-70.7154.7175.3-68.2-178.6-2.100111.8A444A444-Q524 WeakPolarHBondContact CA-O 3.44Å; A444-Q524 HydrophobicContact CB-CB 4.18Å; A444-Q524 WeakPolarHBondContact CB-O 3.36Å
525Y95.6Very high87.2Confident81 Ų8158.1 Ų58.132%0.31831%0.308SS..EExtended strand (participates in β ladder)trans-69.1148.4172.7-70.9-82.5000112.1A444 E479 R513 V514 K515A444-Y525 WeakPolarHBondContact CB-O 3.46Å; E479-Y525 HydrophobicContact CG-CE1 4.48Å; E479-Y525 WeakPolarHBondContact OE1-CE1 3.48Å; E479-Y525 PolarHBondContact OE1-OH 3.14Å; E479-Y525 VanDerWaalsContact OE2-CE1 3.29Å; E479-Y525 WeakPolarHBondContact OE2-CE1 3.39Å; E479-Y525 PolarHBondContact OE2-OH 3.25Å; E479-Y525 VanDerWaalsContact OE2-OH 3.07Å; R513-Y525 HydrophobicContact CB-CD1 4.02Å; R513-Y525 VanDerWaalsContact CD-CD1 3.44Å; R513-Y525 HydrophobicContact CG-CD1 3.54Å; R513-Y525 HydrophobicContact CG-CE1 3.84Å; R513-Y525 HydrophobicContact CG-CG 4.36Å; R513-Y525 VanDerWaalsContact NE-CE1 3.31Å; V514-Y525 CarbonylContact O-C 3.55Å; V514-Y525 WeakPolarHBondContact O-CA 3.46Å; K515-Y525 HydrophobicContact CB-CD1 4Å; K515-Y525 HydrophobicContact CB-CE1 4.32Å; K515-Y525 HydrophobicContact CB-CG 4.42Å; K515-Y525 HydrophobicContact CD-CD1 4.08Å; K515-Y525 HydrophobicContact CD-CE1 3.52Å; K515-Y525 HydrophobicContact CD-CE2 4.25Å; K515-Y525 HydrophobicContact CG-CD1 4.37Å; K515-Y525 HydrophobicContact CG-CE1 4.19Å; K515-Y525 PolarHBondContact NZ-OH 3.06Å
526S95.9Very high85Confident9 Ų958.1 Ų58.16%0.06331%0.31CS..PPolyproline II helixtrans-59.6169.1162.972.20000110.7P445 V514 T528P445-S526 WeakPolarHBondContact O-CB 3.4Å; V514-S526 PolarHBondContact N-OG 3.03Å; V514-S526 WeakPolarHBondContact O-CB 3.45Å; V514-S526 PolarHBondContact O-N 3.27Å; V514-S526 PolarHBondContact O-OG 3.27Å; S526-T528 PolarHBondContact O-N 3.23Å
527K90.8Very high82.4Confident191 Ų19160.2 Ų60.283%0.8333%0.331SS*.PPolyproline II helixtrans-56.5142.3162.9-68.1-174.8179.1-179.80109.3L447 L529L447-K527 WeakPolarHBondContact CD1-O 3.41Å; K527-L529 PolarHBondContact O-N 3.17Å
528T91.9Very high79.6Confident72 Ų7264.6 Ų64.644%0.44236%0.356SS..PPolyproline II helixtrans-69.5124.9174.2-56.20000109.4F488 K511 S512 S526F488-T528 HydrophobicContact CZ-CG2 4.23Å; K511-T528 HydrophobicContact CB-CG2 3.82Å; K511-T528 HydrophobicContact CG-CG2 4.34Å; S512-T528 CarbonylContact O-C 3.49Å; S512-T528 VanDerWaalsContact O-CA 3.24Å; S512-T528 WeakPolarHBondContact O-CA 3.41Å; S512-T528 WeakPolarHBondContact O-CG2 3.5Å; S526-T528 PolarHBondContact O-N 3.23Å
529L90.1Very high77.1Confident30 Ų3068.9 Ų68.916%0.15739%0.385CS..EExtended strand (participates in β ladder)trans-95.3135.7170.817164.3000108.6L447 L449 C452 L461 K511 S512 K527 M531L447-L529 HydrophobicContact CD1-CB 3.61Å; L447-L529 HydrophobicContact CD1-CD2 4.44Å; L449-L529 HydrophobicContact CD2-CD1 3.63Å; L449-L529 HydrophobicContact CD2-CD2 4.21Å; L449-L529 HydrophobicContact CD2-CG 4.43Å; C452-L529 HydrophobicContact CB-CD2 4.01Å; L461-L529 HydrophobicContact CD2-CD2 4.18Å; K511-L529 CarbonylContact C-O 3.48Å; K511-L529 WeakPolarHBondContact CA-O 3.29Å; S512-L529 PolarHBondContact N-O 2.99Å; S512-L529 PolarHBondContact O-N 3.42Å; S512-L529 WeakPolarHBondContact OG-CB 3.28Å; S512-L529 PolarHBondContact OG-O 3.44Å; K527-L529 PolarHBondContact O-N 3.17Å; L529-M531 HydrophobicContact CD1-CG 4.47Å; L529-M531 HydrophobicContact CD2-CG 3.92Å; L529-M531 HydrophobicContact CD2-SD 3.83Å; L529-M531 HydrophobicContact CG-CG 3.77Å; L529-M531 HydrophobicContact CG-SD 4.28Å
530I87.1Confident74.7Confident107 Ų10770.3 Ų70.355%0.54939%0.392SS..EExtended strand (participates in β ladder)trans-105.8124.4175.6-55.4-178.1000106.7T509 Y510 K511T509-I530 HydrophobicContact CG2-CG2 3.34Å; Y510-I530 CarbonylContact O-C 3.49Å; Y510-I530 WeakPolarHBondContact O-CA 3.43Å; K511-I530 HydrophobicContact CG-CG1 4.32Å
531M84.3Confident72.5Confident15 Ų1573.4 Ų73.47%0.07441%0.412CS..EExtended strand (participates in β ladder)trans-126.2137.2-179-59177-56.800108.4T454 A459 L461 L480 T509 Y510 L529T454-M531 HydrophobicContact CG2-CB 3.8Å; A459-M531 HydrophobicContact CB-CE 3.82Å; A459-M531 HydrophobicContact CB-SD 4.17Å; L461-M531 HydrophobicContact CD1-CE 3.87Å; L461-M531 HydrophobicContact CD1-SD 4.24Å; L461-M531 HydrophobicContact CD2-CE 3.72Å; L461-M531 HydrophobicContact CD2-SD 3.75Å; L461-M531 HydrophobicContact CG-CE 4Å; L461-M531 HydrophobicContact CG-SD 3.82Å; L480-M531 HydrophobicContact CD1-CE 3.86Å; T509-M531 CarbonylContact C-O 3.59Å; Y510-M531 PolarHBondContact N-O 3.43Å; Y510-M531 PolarHBondContact O-N 3.3Å; L529-M531 HydrophobicContact CD1-CG 4.47Å; L529-M531 HydrophobicContact CD2-CG 3.92Å; L529-M531 HydrophobicContact CD2-SD 3.83Å; L529-M531 HydrophobicContact CG-CG 3.77Å; L529-M531 HydrophobicContact CG-SD 4.28Å
532Q81.6Confident69.9Low101 Ų10179.3 Ų79.347%0.47244%0.438SS..EExtended strand (participates in β ladder)trans-105.2122.9172.1-166.3171.7-7.500107.3T454T454-Q532 WeakPolarHBondContact CB-O 3.45Å; T454-Q532 WeakPolarHBondContact CG2-O 3.35Å; T454-Q532 PolarHBondContact OG1-O 3.32Å
533T76.7Confident67.2Low1 Ų182.4 Ų82.41%0.00645%0.45CS..  trans-61.7145.4167.149.90000108.1L504 H505 N507 S508 Y510 Q535L504-T533 HydrophobicContact CB-CG2 3.71Å; L504-T533 HydrophobicContact CD1-CG2 3.81Å; L504-T533 HydrophobicContact CG-CG2 4.43Å; H505-T533 WeakPolarHBondContact O-CB 3.43Å; H505-T533 PolarHBondContact O-OG1 3.35Å; N507-T533 PolarHBondContact N-OG1 3.49Å; S508-T533 PolarHBondContact N-OG1 2.93Å; S508-T533 VanDerWaalsContact N-OG1 3.12Å; S508-T533 PolarHBondContact O-N 3.02Å; S508-T533 PolarHBondContact O-OG1 3.37Å; S508-T533 VanDerWaalsContact O-OG1 3.13Å; Y510-T533 HydrophobicContact CD2-CG2 3.89Å; Y510-T533 HydrophobicContact CE2-CG2 3.87Å; T533-Q535 PolarHBondContact O-N 3.25Å; T533-Q535 VanDerWaalsContact O-N 3.13Å
534S61.8Low64.5Low27 Ų2790.5 Ų90.519%0.18949%0.485CS..  trans-50.8130-173.263.20000109.6N456 T536N456-S534 WeakPolarHBondContact CA-OG 3.47Å; N456-S534 PolarHBondContact N-OG 3.32Å; N456-S534 PolarHBondContact O-N 3.37Å; N456-S534 PolarHBondContact O-OG 2.87Å; N456-S534 VanDerWaalsContact O-OG 3.06Å; S534-T536 PolarHBondContact O-N 2.98Å
535Q57.1Low61.9Low94 Ų9488.8 Ų88.844%0.43949%0.49SS..SBendtrans-74.173.4156.4-163.5174.13100104.6N507 T533 T548N507-Q535 HydrophobicContact CB-CG 4.24Å; N507-Q535 PolarHBondContact ND2-NE2 2.67Å; N507-Q535 WeakPolarHBondContact OD1-CG 3.31Å; N507-Q535 PolarHBondContact OD1-NE2 3.3Å; T533-Q535 PolarHBondContact O-N 3.25Å; T533-Q535 VanDerWaalsContact O-N 3.13Å; Q535-T548 HydrophobicContact CG-CG2 4.43Å
536T51.1Low59.3Low22 Ų2291 Ų9114%0.13551%0.506CS..SBendtrans63.5118.9164.957.30000116.2S534 L538 G547 T548 V549S534-T536 PolarHBondContact O-N 2.98Å; T536-L538 PolarHBondContact O-N 2.75Å; T536-G547 PolarHBondContact OG1-O 2.92Å; T536-T548 VanDerWaalsContact OG1-C 3.27Å; T536-T548 WeakPolarHBondContact OG1-CA 3.46Å; T536-T548 PolarHBondContact OG1-N 3.11Å; T536-V549 WeakPolarHBondContact CB-O 3.32Å; T536-V549 WeakPolarHBondContact CG2-O 3.39Å; T536-V549 PolarHBondContact OG1-N 2.92Å
537G40.6Very low56.7Low44 Ų4492.2 Ų92.245%0.45452%0.52SS..  trans-62.8127.8-161.700000115.8
538L37.3Very low54.9Low141 Ų14186.9 Ų86.974%0.73850%0.504SS*.  trans-136146.4142.1-80.2172.3000108.9T536T536-L538 PolarHBondContact O-N 2.75Å
539P38.3Very low53.4Low103 Ų10384.2 Ų84.267%0.66949%0.488SS*.  trans-66155.4162.430.1-31.2000109.7C541P539-C541 PolarHBondContact O-N 3.05Å
540P38.8Very low52.3Low132 Ų13283 Ų8386%0.85748%0.482SS*.SBendtrans-76.689.8-167.231-33.9000111.5
541C36.2Very low51.9Low106 Ų10684.8 Ų84.872%0.71648%0.482SS*.  trans-143.3119.8160.8-59.60000110P539P539-C541 PolarHBondContact O-N 3.05Å
542D32.6Very low52.2Low149 Ų14984.2 Ų84.280%0.79748%0.479SS*.  trans73.991159.2-55.3-26000120.2
543I36.3Very low52.7Low141 Ų14181 Ų8172%0.72347%0.466SS*.  43.1110.4122.9-59.2174.1000117.7
544Q36.3Very low53.6Low180 Ų18081.1 Ų81.184%0.84147%0.467SS*.SBendtrans73.297.8150.2-68.2171.1-10.300118
545S38.8Very low55.2Low118 Ų11881.9 Ų81.983%0.82547%0.468SS*.SBendtrans115.4914182.10000121.3
546I41.7Very low56.9Low128 Ų12880.3 Ų80.366%0.65647%0.466SS*.  trans-144.1107.8176.6-53.6175.7000110
547G42.2Very low58.8Low35 Ų3583.8 Ų83.836%0.36150%0.498SS..  trans-166.157.7-179.100000111.6T536T536-G547 PolarHBondContact OG1-O 2.92Å
548T52.2Low61Low78 Ų7883.1 Ų83.148%0.47949%0.486SS..  trans-145.344.1-177.150.10000112.7Q535 T536Q535-T548 HydrophobicContact CG-CG2 4.43Å; T536-T548 VanDerWaalsContact OG1-C 3.27Å; T536-T548 WeakPolarHBondContact OG1-CA 3.46Å; T536-T548 PolarHBondContact OG1-N 3.11Å
549V60.5Low63.7Low17 Ų1777.2 Ų77.210%0.10346%0.458CS..  trans-136.4124.4177.2-1560000119.7T536 W551 G710 L711 P712T536-V549 WeakPolarHBondContact CB-O 3.32Å; T536-V549 WeakPolarHBondContact CG2-O 3.39Å; T536-V549 PolarHBondContact OG1-N 2.92Å; V549-W551 PolarHBondContact O-N 2.84Å; V549-G710 WeakPolarHBondContact CB-O 3.41Å; V549-G710 VanDerWaalsContact CG1-CA 3.4Å; V549-G710 WeakPolarHBondContact CG2-O 3.31Å; V549-L711 VanDerWaalsContact CG1-C 3.47Å; V549-L711 VanDerWaalsContact CG1-N 3.27Å; V549-L711 WeakPolarHBondContact CG1-O 3.4Å; V549-L711 VanDerWaalsContact CG2-O 3.31Å; V549-L711 WeakPolarHBondContact CG2-O 3.38Å; V549-P712 HydrophobicContact CG2-CB 4.46Å
550A66.1Low66.4Low5 Ų574.7 Ų74.74%0.04144%0.437CS..  trans-56.9129.4171.800000113.4F588 G710A550-F588 HydrophobicContact CB-CE1 3.5Å; A550-F588 VanDerWaalsContact CB-CE1 3.5Å; A550-F588 HydrophobicContact CB-CZ 3.6Å; A550-G710 PolarHBondContact O-N 3.03Å
551W80.2Confident69Low144 Ų14473.9 Ų73.955%0.54543%0.432SS..  trans-106.9130.3171.5-178.3-90000110.1V549 L570 T709V549-W551 PolarHBondContact O-N 2.84Å; W551-L570 HydrophobicContact CZ2-CD1 4.47Å; W551-T709 VanDerWaalsContact CD2-OG1 3.29Å
552F89Confident71.8Confident3 Ų371 Ų711%0.01341%0.409CS..  trans-152.9164.117563.2-83.9000110.5A586 F588 W595 P695 L707 T709F552-A586 HydrophobicContact CB-CB 4.05Å; F552-F588 HydrophobicContact CD1-CE2 4.12Å; F552-F588 AromaticContact CD1-CZ 3.67Å; F552-F588 HydrophobicContact CD1-CZ 3.67Å; F552-F588 AromaticContact CE1-CE2 3.99Å; F552-F588 HydrophobicContact CE1-CE2 3.99Å; F552-F588 AromaticContact CE1-CZ 3.94Å; F552-F588 HydrophobicContact CE1-CZ 3.94Å; F552-F588 HydrophobicContact CG-CZ 4.46Å; F552-W595 HydrophobicContact CE1-CB 4.05Å; F552-W595 HydrophobicContact CE1-CD2 4.26Å; F552-W595 HydrophobicContact CE1-CE3 4.39Å; F552-W595 HydrophobicContact CE1-CG 4.14Å; F552-W595 HydrophobicContact CZ-CB 3.9Å; F552-W595 AromaticContact CZ-CD1 3.94Å; F552-W595 AromaticContact CZ-CD2 3.85Å; F552-W595 HydrophobicContact CZ-CD2 3.85Å; F552-W595 HydrophobicContact CZ-CE3 4.38Å; F552-W595 AromaticContact CZ-CG 3.62Å; F552-W595 HydrophobicContact CZ-CG 3.62Å; F552-P695 HydrophobicContact CD1-CG 4.48Å; F552-P695 HydrophobicContact CD2-CB 4.34Å; F552-P695 HydrophobicContact CD2-CG 4.09Å; F552-P695 HydrophobicContact CE1-CG 3.89Å; F552-P695 HydrophobicContact CE2-CB 3.42Å; F552-P695 VanDerWaalsContact CE2-CB 3.42Å; F552-P695 HydrophobicContact CE2-CG 3.45Å; F552-P695 VanDerWaalsContact CE2-CG 3.45Å; F552-P695 HydrophobicContact CZ-CB 3.58Å; F552-P695 HydrophobicContact CZ-CG 3.34Å; F552-L707 HydrophobicContact CD2-CD2 3.8Å; F552-L707 HydrophobicContact CE2-CD1 3.89Å; F552-L707 HydrophobicContact CE2-CD2 3.49Å; F552-L707 VanDerWaalsContact CE2-CD2 3.49Å; F552-L707 HydrophobicContact CE2-CG 4.25Å; F552-L707 HydrophobicContact CZ-CD1 4.01Å; F552-L707 HydrophobicContact CZ-CD2 4.29Å; F552-T709 HydrophobicContact CD1-CG2 3.58Å; F552-T709 HydrophobicContact CD2-CG2 3.99Å; F552-T709 HydrophobicContact CE1-CG2 3.43Å; F552-T709 VanDerWaalsContact CE1-CG2 3.43Å; F552-T709 HydrophobicContact CE2-CG2 3.84Å; F552-T709 HydrophobicContact CG-CG2 3.86Å; F552-T709 HydrophobicContact CZ-CG2 3.54Å; F552-T709 PolarHBondContact N-OG1 3.24Å; F552-T709 WeakPolarHBondContact O-CG2 3.43Å; F552-T709 PolarHBondContact O-OG1 3.47Å
553T93.2Very high74.9Confident33 Ų3364.4 Ų64.420%0.20237%0.374CS..  trans-121.5175.9174.258.50000108.9L570 G584 S585T553-L570 HydrophobicContact CG2-CD2 3.88Å; T553-L570 HydrophobicContact CG2-CG 4.33Å; T553-G584 CarbonylContact O-C 3.54Å; T553-G584 VanDerWaalsContact O-CA 3.28Å; T553-G584 WeakPolarHBondContact O-CA 3.01Å; T553-S585 PolarHBondContact N-OG 3.48Å; T553-S585 VanDerWaalsContact N-OG 3.11Å; T553-S585 WeakPolarHBondContact O-CB 3.47Å; T553-S585 PolarHBondContact O-N 3.38Å; T553-S585 PolarHBondContact O-OG 3.07Å
554F95.6Very high77.7Confident4 Ų460.2 Ų60.22%0.01836%0.355CS..BIsolated β-bridgetrans-71.6143.7165.8-65.7-71.5000110.5P556 F565 N569 L570 V572 V582 L583 I697 L707F554-P556 VanDerWaalsContact O-CD 3.23Å; F554-P556 WeakPolarHBondContact O-CD 3.26Å; F554-F565 HydrophobicContact CB-CD1 4.07Å; F554-F565 HydrophobicContact CB-CE1 3.64Å; F554-N569 WeakPolarHBondContact CB-O 3.43Å; F554-N569 WeakPolarHBondContact CD2-O 3.44Å; F554-N569 PolarHBondContact N-O 3.42Å; F554-L570 WeakPolarHBondContact CE2-O 3.32Å; F554-V572 HydrophobicContact CB-CG1 4Å; F554-V572 HydrophobicContact CD1-CG1 4.49Å; F554-V572 HydrophobicContact CD2-CB 4.25Å; F554-V572 HydrophobicContact CD2-CG1 3.42Å; F554-V572 VanDerWaalsContact CD2-CG1 3.42Å; F554-V572 HydrophobicContact CD2-CG2 3.84Å; F554-V572 HydrophobicContact CE1-CG2 4.27Å; F554-V572 HydrophobicContact CE2-CB 4.31Å; F554-V572 HydrophobicContact CE2-CG1 3.96Å; F554-V572 HydrophobicContact CE2-CG2 3.44Å; F554-V572 VanDerWaalsContact CE2-CG2 3.44Å; F554-V572 HydrophobicContact CG-CG1 3.73Å; F554-V572 HydrophobicContact CG-CG2 4.39Å; F554-V572 HydrophobicContact CZ-CG2 3.69Å; F554-V582 HydrophobicContact CB-CG1 3.92Å; F554-V582 HydrophobicContact CD1-CB 4.3Å; F554-V582 HydrophobicContact CD1-CG1 3.67Å; F554-V582 HydrophobicContact CE1-CG1 4.5Å; F554-V582 HydrophobicContact CG-CG1 4.04Å; F554-L583 WeakPolarHBondContact CA-O 3.44Å; F554-I697 HydrophobicContact CE1-CD1 3.87Å; F554-I697 HydrophobicContact CE1-CG1 3.95Å; F554-I697 HydrophobicContact CZ-CD1 3.68Å; F554-I697 HydrophobicContact CZ-CG1 4.29Å; F554-L707 HydrophobicContact CD2-CB 4.24Å; F554-L707 HydrophobicContact CD2-CD2 4.3Å; F554-L707 HydrophobicContact CE1-CD2 4.49Å; F554-L707 HydrophobicContact CE2-CB 3.46Å; F554-L707 VanDerWaalsContact CE2-CB 3.46Å; F554-L707 HydrophobicContact CE2-CD2 4.14Å; F554-L707 HydrophobicContact CE2-CG 4.37Å; F554-L707 HydrophobicContact CZ-CB 3.76Å; F554-L707 HydrophobicContact CZ-CD2 4.23Å; F554-L707 HydrophobicContact CZ-CG 4.4Å
555D94.4Very high80.6Confident42 Ų4253.9 Ų53.923%0.22532%0.324CS..  trans-88.3108.9-179.717822.3000111.9A557 S558 L583D555-A557 VanDerWaalsContact C-N 3.28Å; D555-A557 PolarHBondContact O-N 2.95Å; D555-A557 VanDerWaalsContact OD1-CB 3.32Å; D555-A557 WeakPolarHBondContact OD1-CB 3.26Å; D555-A557 PolarHBondContact OD1-N 3.34Å; D555-S558 WeakPolarHBondContact OD2-CB 3.36Å; D555-S558 PolarHBondContact OD2-N 2.85Å; D555-S558 PolarHBondContact OD2-OG 3.34Å; D555-L583 PolarHBondContact N-O 3.11Å
556P92.8Very high83.3Confident61 Ų6150.8 Ų50.840%0.39630%0.303SS..THydrogen-bonded Turntrans-72.7-22.8177.5-14.331.9000112.6F554 F565 N569F554-P556 VanDerWaalsContact O-CD 3.23Å; F554-P556 WeakPolarHBondContact O-CD 3.26Å; P556-F565 HydrophobicContact CB-CD2 4.06Å; P556-F565 HydrophobicContact CB-CE2 3.9Å; P556-F565 HydrophobicContact CB-CG 4.48Å; P556-F565 HydrophobicContact CB-CZ 4.19Å; P556-F565 HydrophobicContact CG-CD1 4.41Å; P556-F565 HydrophobicContact CG-CD2 4.47Å; P556-F565 HydrophobicContact CG-CE1 4.49Å; P556-F565 HydrophobicContact CG-CG 4.41Å; P556-N569 HydrophobicContact CG-CB 4.39Å; P556-N569 WeakPolarHBondContact CG-ND2 3.3Å
557A91.4Very high85.7Confident96 Ų9649.3 Ų49.379%0.79330%0.296SS*.THydrogen-bonded Turntrans-72.5-32.7-174.500000111.9D555D555-A557 VanDerWaalsContact C-N 3.28Å; D555-A557 PolarHBondContact O-N 2.95Å; D555-A557 VanDerWaalsContact OD1-CB 3.32Å; D555-A557 WeakPolarHBondContact OD1-CB 3.26Å; D555-A557 PolarHBondContact OD1-N 3.34Å
558S87.9Confident88.1Confident29 Ų2954.4 Ų54.420%0.20332%0.315CS..THydrogen-bonded Turntrans-94.7-11.4178.265.70000114.2D555 K619D555-S558 WeakPolarHBondContact OD2-CB 3.36Å; D555-S558 PolarHBondContact OD2-N 2.85Å; D555-S558 PolarHBondContact OD2-OG 3.34Å; S558-K619 WeakPolarHBondContact O-CD 3.49Å; S558-K619 WeakPolarHBondContact O-CE 3.37Å; S558-K619 PolarHBondContact O-NZ 2.87Å
559A92.5Very high90.1Very high18 Ų1853.4 Ų53.415%0.14931%0.307CS..SBendtrans-76.3157.8-173.100000114.9I563 F565 V582A559-I563 HydrophobicContact CB-CB 4.35Å; A559-I563 HydrophobicContact CB-CG1 4.45Å; A559-F565 HydrophobicContact CB-CE2 3.88Å; A559-F565 HydrophobicContact CB-CZ 3.44Å; A559-F565 VanDerWaalsContact CB-CZ 3.44Å; A559-V582 HydrophobicContact CB-CG1 4.48Å
560H95.1Very high91.8Very high49 Ų4953.9 Ų53.923%0.22731%0.309CS..  trans-67.7144.6173.4-171.2-87.5000110.9D562 I563 R580 D620H560-D562 IonicContact CE1-OD1 3.89Å; H560-D562 IonicContact CE1-OD2 3.13Å; H560-D562 PolarHBondContact CE1-OD2 3.14Å; H560-D562 WeakPolarHBondContact ND1-CB 3.29Å; H560-D562 VanDerWaalsContact ND1-CG 3.34Å; H560-D562 PolarHBondContact ND1-N 3.44Å; H560-D562 VanDerWaalsContact ND1-N 3.16Å; H560-D562 IonicContact ND1-OD2 2.97Å; H560-D562 PolarHBondContact ND1-OD2 3.45Å; H560-D562 VanDerWaalsContact ND1-OD2 3.13Å; H560-D562 PolarHBondContact O-N 3.02Å; H560-I563 HydrophobicContact CB-CG1 4.45Å; H560-I563 WeakPolarHBondContact O-CB 3.36Å; H560-I563 WeakPolarHBondContact O-CG1 3.32Å; H560-I563 PolarHBondContact O-N 2.78Å; H560-R580 HydrophobicContact CB-CG 4.48Å; H560-R580 PolarHBondContact ND1-NE 3.5Å; H560-D620 IonicContact CD2-OD1 3.19Å; H560-D620 PolarHBondContact CD2-OD1 3.46Å; H560-D620 IonicContact CG-OD1 3.79Å; H560-D620 IonicContact NE2-OD1 2.96Å
561P93.9Very high93.2Very high116 Ų11654 Ų5475%0.75331%0.309SS*.THydrogen-bonded Turntrans-57.6-20.6-179.2-28.135.3000116.4I563P561-I563 PolarHBondContact O-N 2.76Å
562D95.1Very high94Very high44 Ų4447.1 Ų47.124%0.23528%0.283CS..THydrogen-bonded Turntrans-73.4-16177-66.2-29.6000112.8H560 C574 N575 S576 R580H560-D562 IonicContact CE1-OD1 3.89Å; H560-D562 IonicContact CE1-OD2 3.13Å; H560-D562 PolarHBondContact CE1-OD2 3.14Å; H560-D562 WeakPolarHBondContact ND1-CB 3.29Å; H560-D562 VanDerWaalsContact ND1-CG 3.34Å; H560-D562 PolarHBondContact ND1-N 3.44Å; H560-D562 VanDerWaalsContact ND1-N 3.16Å; H560-D562 IonicContact ND1-OD2 2.97Å; H560-D562 PolarHBondContact ND1-OD2 3.45Å; H560-D562 VanDerWaalsContact ND1-OD2 3.13Å; H560-D562 PolarHBondContact O-N 3.02Å; D562-C574 CarbonylContact O-C 3.37Å; D562-C574 WeakPolarHBondContact O-CA 3.49Å; D562-N575 PolarHBondContact O-N 3.46Å; D562-S576 WeakPolarHBondContact OD2-CB 3.18Å; D562-R580 HydrophobicContact CB-CG 4.35Å; D562-R580 IonicContact OD2-CZ 3.95Å; D562-R580 IonicContact OD2-NE 3.93Å; D562-R580 PolarHBondContact OD2-NE 2.66Å; D562-R580 VanDerWaalsContact OD2-NE 3.1Å; D562-R580 IonicContact OD2-NH2 3.61Å; D562-R580 PolarHBondContact OD2-NH2 3.21Å
563I96.8Very high94.3Very high12 Ų1247.9 Ų47.96%0.06229%0.289CS..EExtended strand (participates in β ladder)trans-78.3133.6179.7-59.8-66.2000109.7A559 H560 P561 F565 V572 S573 C574 R580 V582A559-I563 HydrophobicContact CB-CB 4.35Å; A559-I563 HydrophobicContact CB-CG1 4.45Å; H560-I563 HydrophobicContact CB-CG1 4.45Å; H560-I563 WeakPolarHBondContact O-CB 3.36Å; H560-I563 WeakPolarHBondContact O-CG1 3.32Å; H560-I563 PolarHBondContact O-N 2.78Å; P561-I563 PolarHBondContact O-N 2.76Å; I563-F565 HydrophobicContact CB-CE2 4.11Å; I563-F565 HydrophobicContact CB-CZ 4.26Å; I563-F565 HydrophobicContact CG2-CD2 4.15Å; I563-F565 HydrophobicContact CG2-CE1 3.93Å; I563-F565 HydrophobicContact CG2-CE2 3.54Å; I563-F565 HydrophobicContact CG2-CZ 3.41Å; I563-F565 VanDerWaalsContact CG2-CZ 3.41Å; I563-V572 HydrophobicContact CG2-CB 4.46Å; I563-V572 HydrophobicContact CG2-CG1 4.29Å; I563-S573 WeakPolarHBondContact CA-O 3.4Å; I563-C574 HydrophobicContact CD1-CB 4.11Å; I563-R580 HydrophobicContact CD1-CB 3.48Å; I563-R580 VanDerWaalsContact CD1-CB 3.48Å; I563-R580 HydrophobicContact CD1-CG 4.35Å; I563-R580 HydrophobicContact CG1-CB 4.11Å; I563-V582 HydrophobicContact CB-CG2 4.35Å; I563-V582 HydrophobicContact CD1-CG2 3.41Å; I563-V582 VanDerWaalsContact CD1-CG2 3.41Å; I563-V582 HydrophobicContact CG1-CG2 3.65Å; I563-V582 HydrophobicContact CG2-CG2 3.79Å
564V96.1Very high94.4Very high53 Ų5346.4 Ų46.432%0.32128%0.28SS..EExtended strand (participates in β ladder)trans-113.8119.9178.4-177.60000108.7V572 S573 N575V564-V572 WeakPolarHBondContact O-CA 3.13Å; V564-S573 PolarHBondContact N-O 2.97Å; V564-S573 PolarHBondContact O-N 3.43Å; V564-N575 WeakPolarHBondContact CG2-ND2 3.47Å
565F96.8Very high94.3Very high47 Ų4750.8 Ų50.821%0.20630%0.303CS..EExtended strand (participates in β ladder)trans-95.5144.6177.3-59.4-88.1000111F554 P556 A559 I563 N569 T571 V572 V582F554-F565 HydrophobicContact CB-CD1 4.07Å; F554-F565 HydrophobicContact CB-CE1 3.64Å; P556-F565 HydrophobicContact CB-CD2 4.06Å; P556-F565 HydrophobicContact CB-CE2 3.9Å; P556-F565 HydrophobicContact CB-CG 4.48Å; P556-F565 HydrophobicContact CB-CZ 4.19Å; P556-F565 HydrophobicContact CG-CD1 4.41Å; P556-F565 HydrophobicContact CG-CD2 4.47Å; P556-F565 HydrophobicContact CG-CE1 4.49Å; P556-F565 HydrophobicContact CG-CG 4.41Å; A559-F565 HydrophobicContact CB-CE2 3.88Å; A559-F565 HydrophobicContact CB-CZ 3.44Å; A559-F565 VanDerWaalsContact CB-CZ 3.44Å; I563-F565 HydrophobicContact CB-CE2 4.11Å; I563-F565 HydrophobicContact CB-CZ 4.26Å; I563-F565 HydrophobicContact CG2-CD2 4.15Å; I563-F565 HydrophobicContact CG2-CE1 3.93Å; I563-F565 HydrophobicContact CG2-CE2 3.54Å; I563-F565 HydrophobicContact CG2-CZ 3.41Å; I563-F565 VanDerWaalsContact CG2-CZ 3.41Å; F565-N569 HydrophobicContact CD1-CB 4.39Å; F565-T571 CarbonylContact C-O 3.51Å; F565-T571 WeakPolarHBondContact CA-O 3.39Å; F565-V572 HydrophobicContact CD1-CG1 3.44Å; F565-V572 VanDerWaalsContact CD1-CG1 3.44Å; F565-V572 HydrophobicContact CE1-CG1 3.54Å; F565-V572 HydrophobicContact CG-CG1 4.37Å; F565-V582 HydrophobicContact CE1-CG1 3.95Å; F565-V582 HydrophobicContact CZ-CG1 4.13Å
566S95.2Very high94.1Very high53 Ų5349.7 Ų49.737%0.37130%0.299SS..EExtended strand (participates in β ladder)trans-151.5173.5172.758.90000109.8D568 N569 L570 T571S566-D568 PolarHBondContact O-N 3.47Å; S566-N569 PolarHBondContact O-N 2.99Å; S566-L570 PolarHBondContact O-N 2.97Å; S566-T571 PolarHBondContact N-O 3.28Å; S566-T571 PolarHBondContact O-N 3.49Å; S566-T571 WeakPolarHBondContact OG-CB 3.42Å; S566-T571 PolarHBondContact OG-O 2.94Å
567N92.8Very high93.9Very high97 Ų9754 Ų5452%0.51931%0.308SS..THydrogen-bonded Turntrans54.156.1178.8-16837.9000112.1N569 L570 T571N567-N569 VanDerWaalsContact C-N 3.28Å; N567-N569 PolarHBondContact O-N 3.17Å; N567-L570 VanDerWaalsContact O-CB 3.25Å; N567-L570 WeakPolarHBondContact O-CB 3.26Å; N567-L570 PolarHBondContact O-N 3.46Å; N567-T571 WeakPolarHBondContact CB-OG1 3.46Å
568D92.1Very high94Very high142 Ų14254 Ų5476%0.75930%0.295SS*.THydrogen-bonded Turntrans52.443-178.4-58.6-37.8000113.9S566 L570S566-D568 PolarHBondContact O-N 3.47Å; D568-L570 PolarHBondContact O-N 3.3Å
569N95.5Very high94.2Very high56 Ų5653.6 Ų53.630%0.29929%0.291SS..THydrogen-bonded Turntrans62.919.6-177.3-50.4-33.4000114.7F554 P556 F565 S566 N567F554-N569 WeakPolarHBondContact CB-O 3.43Å; F554-N569 WeakPolarHBondContact CD2-O 3.44Å; F554-N569 PolarHBondContact N-O 3.42Å; P556-N569 HydrophobicContact CG-CB 4.39Å; P556-N569 WeakPolarHBondContact CG-ND2 3.3Å; F565-N569 HydrophobicContact CD1-CB 4.39Å; S566-N569 PolarHBondContact O-N 2.99Å; N567-N569 VanDerWaalsContact C-N 3.28Å; N567-N569 PolarHBondContact O-N 3.17Å
570L94.9Very high94.3Very high27 Ų2753.9 Ų53.914%0.14129%0.288CS..THydrogen-bonded Turntrans-90.9-19.6173-65.2168.2000112.7W551 T553 F554 S566 N567 D568 T706 L707W551-L570 HydrophobicContact CZ2-CD1 4.47Å; T553-L570 HydrophobicContact CG2-CD2 3.88Å; T553-L570 HydrophobicContact CG2-CG 4.33Å; F554-L570 WeakPolarHBondContact CE2-O 3.32Å; S566-L570 PolarHBondContact O-N 2.97Å; N567-L570 VanDerWaalsContact O-CB 3.25Å; N567-L570 WeakPolarHBondContact O-CB 3.26Å; N567-L570 PolarHBondContact O-N 3.46Å; D568-L570 PolarHBondContact O-N 3.3Å; L570-T706 CarbonylContact O-C 3.52Å; L570-T706 WeakPolarHBondContact O-CA 3.5Å; L570-L707 WeakPolarHBondContact O-CB 3.43Å; L570-L707 PolarHBondContact O-N 3.21Å
571T96.8Very high94.4Very high8 Ų851.5 Ų51.55%0.04928%0.277CS..EExtended strand (participates in β ladder)trans-117.4130.9-179.8-56.90000110.6F565 S566 N567 Q704 V705 T706F565-T571 CarbonylContact C-O 3.51Å; F565-T571 WeakPolarHBondContact CA-O 3.39Å; S566-T571 PolarHBondContact N-O 3.28Å; S566-T571 PolarHBondContact O-N 3.49Å; S566-T571 WeakPolarHBondContact OG-CB 3.42Å; S566-T571 PolarHBondContact OG-O 2.94Å; N567-T571 WeakPolarHBondContact CB-OG1 3.46Å; T571-Q704 HydrophobicContact CG2-CG 3.96Å; T571-V705 WeakPolarHBondContact CA-O 3.29Å; T571-T706 WeakPolarHBondContact CG2-OG1 3.24Å; T571-T706 PolarHBondContact OG1-OG1 3.24Å
572V96.9Very high94.5Very high0 Ų046 Ų460%024%0.241CC..EExtended strand (participates in β ladder)trans-128.4141.4-177.6-71.30000112.5F554 I563 V564 F565 V582 I697 L699 Q704 V705F554-V572 HydrophobicContact CB-CG1 4Å; F554-V572 HydrophobicContact CD1-CG1 4.49Å; F554-V572 HydrophobicContact CD2-CB 4.25Å; F554-V572 HydrophobicContact CD2-CG1 3.42Å; F554-V572 VanDerWaalsContact CD2-CG1 3.42Å; F554-V572 HydrophobicContact CD2-CG2 3.84Å; F554-V572 HydrophobicContact CE1-CG2 4.27Å; F554-V572 HydrophobicContact CE2-CB 4.31Å; F554-V572 HydrophobicContact CE2-CG1 3.96Å; F554-V572 HydrophobicContact CE2-CG2 3.44Å; F554-V572 VanDerWaalsContact CE2-CG2 3.44Å; F554-V572 HydrophobicContact CG-CG1 3.73Å; F554-V572 HydrophobicContact CG-CG2 4.39Å; F554-V572 HydrophobicContact CZ-CG2 3.69Å; I563-V572 HydrophobicContact CG2-CB 4.46Å; I563-V572 HydrophobicContact CG2-CG1 4.29Å; V564-V572 WeakPolarHBondContact O-CA 3.13Å; F565-V572 HydrophobicContact CD1-CG1 3.44Å; F565-V572 VanDerWaalsContact CD1-CG1 3.44Å; F565-V572 HydrophobicContact CE1-CG1 3.54Å; F565-V572 HydrophobicContact CG-CG1 4.37Å; V572-V582 HydrophobicContact CG1-CG1 4.42Å; V572-I697 HydrophobicContact CG2-CD1 3.54Å; V572-L699 HydrophobicContact CB-CD2 4.32Å; V572-L699 HydrophobicContact CG2-CD2 3.73Å; V572-Q704 WeakPolarHBondContact O-CA 3.39Å; V572-V705 PolarHBondContact N-O 3.3Å; V572-V705 PolarHBondContact O-N 3.24Å
573S94.6Very high94.6Very high19 Ų1944.1 Ų44.113%0.13323%0.231CC..EExtended strand (participates in β ladder)trans-139.9173.4170.6610000109.3I563 V564 L699I563-S573 WeakPolarHBondContact CA-O 3.4Å; V564-S573 PolarHBondContact N-O 2.97Å; V564-S573 PolarHBondContact O-N 3.43Å; S573-L699 VanDerWaalsContact C-CD1 3.48Å
574C94.1Very high94.5Very high2 Ų243.6 Ų43.61%0.01423%0.228CC..EExtended strand (participates in β ladder)trans-128152.1-179.3-177.10000110.5D562 I563 S576 L699 R701D562-C574 CarbonylContact O-C 3.37Å; D562-C574 WeakPolarHBondContact O-CA 3.49Å; I563-C574 HydrophobicContact CD1-CB 4.11Å; C574-S576 PolarHBondContact SG-N 3.48Å; C574-L699 HydrophobicContact CB-CD1 3.53Å; C574-R701 WeakPolarHBondContact O-CA 3.48Å; C574-R701 WeakPolarHBondContact O-CB 3.41Å; C574-R701 WeakPolarHBondContact O-CG 3.35Å
575N93.6Very high94.2Very high96 Ų9643.9 Ų43.951%0.51323%0.233SC..SBendtrans-94.9-15.8172.5-72.8-39.2000112.9D562 V564D562-N575 PolarHBondContact O-N 3.46Å; V564-N575 WeakPolarHBondContact CG2-ND2 3.47Å
576S91.4Very high93.7Very high19 Ų1942 Ų4213%0.13323%0.226CC..SBendtrans-90.3151.8-178.7-172.40000112.8D562 C574 D578 R701D562-S576 WeakPolarHBondContact OD2-CB 3.18Å; C574-S576 PolarHBondContact SG-N 3.48Å; S576-D578 VanDerWaalsContact C-N 3.3Å; S576-D578 PolarHBondContact OG-N 3.1Å; S576-D578 VanDerWaalsContact OG-N 3.08Å; S576-R701 VanDerWaalsContact O-CB 3.26Å; S576-R701 WeakPolarHBondContact O-CB 3.25Å; S576-R701 PolarHBondContact O-N 3.03Å
577Y88.9Confident93.4Very high150 Ų15041.1 Ų41.159%0.58822%0.222SC*.SBendtrans-78.9-17168.4-72-77.8000112.7
578D91.9Very high93.2Very high97 Ų9736.6 Ų36.652%0.51920%0.198SC..SBendtrans-79.6153.1173.3-59.1-43.5000110.8S576 R580S576-D578 VanDerWaalsContact C-N 3.3Å; S576-D578 PolarHBondContact OG-N 3.1Å; S576-D578 VanDerWaalsContact OG-N 3.08Å; D578-R580 IonicContact OD2-NH2 2.78Å
579D92.2Very high92.8Very high21 Ų2131.4 Ų31.411%0.11217%0.172CC..  trans-68.3137.1173.5-59.8-56.7000111D620 M622D579-D620 CarbonylContact O-C 3.48Å; D579-M622 HydrophobicContact CB-CB 4.13Å; D579-M622 WeakPolarHBondContact OD2-CE 3.46Å
580R95.8Very high92.1Very high23 Ų2333.3 Ų33.39%0.08718%0.175CC..EExtended strand (participates in β ladder)trans-129.3127.7176.3-63.6-63-178.1-118.50.9110.2H560 D562 I563 D578 K619 D620 S698 L699H560-R580 HydrophobicContact CB-CG 4.48Å; H560-R580 PolarHBondContact ND1-NE 3.5Å; D562-R580 HydrophobicContact CB-CG 4.35Å; D562-R580 IonicContact OD2-CZ 3.95Å; D562-R580 IonicContact OD2-NE 3.93Å; D562-R580 PolarHBondContact OD2-NE 2.66Å; D562-R580 VanDerWaalsContact OD2-NE 3.1Å; D562-R580 IonicContact OD2-NH2 3.61Å; D562-R580 PolarHBondContact OD2-NH2 3.21Å; I563-R580 HydrophobicContact CD1-CB 3.48Å; I563-R580 VanDerWaalsContact CD1-CB 3.48Å; I563-R580 HydrophobicContact CD1-CG 4.35Å; I563-R580 HydrophobicContact CG1-CB 4.11Å; D578-R580 IonicContact OD2-NH2 2.78Å; R580-K619 WeakPolarHBondContact CA-O 3.26Å; R580-D620 IonicContact CZ-OD1 3.1Å; R580-D620 IonicContact NE-OD1 3.58Å; R580-D620 IonicContact NH1-OD1 3.92Å; R580-S698 VanDerWaalsContact O-CA 3.26Å; R580-S698 WeakPolarHBondContact O-CA 3.42Å; R580-L699 PolarHBondContact N-O 3.05Å; R580-L699 PolarHBondContact O-N 3.11Å; R580-L699 VanDerWaalsContact O-N 3.12Å
581V96.6Very high91.4Very high0 Ų033.6 Ų33.60%019%0.185CC..EExtended strand (participates in β ladder)trans-82.1136.8175.5179.50000110.4L583 V617 L618 K619 V621 L623 A696 I697V581-L583 HydrophobicContact CG1-CD1 4.08Å; V581-V617 HydrophobicContact CG1-CG1 4.09Å; V581-L618 WeakPolarHBondContact CG2-O 3.5Å; V581-K619 PolarHBondContact N-O 3.44Å; V581-V621 VanDerWaalsContact CG2-O 3.27Å; V581-V621 WeakPolarHBondContact CG2-O 3.42Å; V581-L623 HydrophobicContact CG1-CD1 3.77Å; V581-L623 HydrophobicContact CG2-CB 4.31Å; V581-L623 HydrophobicContact CG2-CD1 4.07Å; V581-A696 HydrophobicContact CG1-CB 4.47Å; V581-I697 CarbonylContact C-O 3.55Å; V581-I697 VanDerWaalsContact CA-O 3.28Å; V581-I697 WeakPolarHBondContact CA-O 3.45Å
582V96.9Very high90.9Very high0 Ų034.5 Ų34.50%019%0.19CC..EExtended strand (participates in β ladder)trans-124.8136.3172.3-1680000108.6F554 A559 I563 F565 V572 A696 I697F554-V582 HydrophobicContact CB-CG1 3.92Å; F554-V582 HydrophobicContact CD1-CB 4.3Å; F554-V582 HydrophobicContact CD1-CG1 3.67Å; F554-V582 HydrophobicContact CE1-CG1 4.5Å; F554-V582 HydrophobicContact CG-CG1 4.04Å; A559-V582 HydrophobicContact CB-CG1 4.48Å; I563-V582 HydrophobicContact CB-CG2 4.35Å; I563-V582 HydrophobicContact CD1-CG2 3.41Å; I563-V582 VanDerWaalsContact CD1-CG2 3.41Å; I563-V582 HydrophobicContact CG1-CG2 3.65Å; I563-V582 HydrophobicContact CG2-CG2 3.79Å; F565-V582 HydrophobicContact CE1-CG1 3.95Å; F565-V582 HydrophobicContact CZ-CG1 4.13Å; V572-V582 HydrophobicContact CG1-CG1 4.42Å; V582-A696 VanDerWaalsContact O-CA 3.29Å; V582-A696 WeakPolarHBondContact O-CA 3.06Å; V582-I697 HydrophobicContact CB-CG1 4.3Å; V582-I697 PolarHBondContact N-O 3.01Å; V582-I697 PolarHBondContact O-N 2.91Å
583L96.5Very high90.4Very high4 Ų435.5 Ų35.52%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-106.5155.7-179.8-6681.7000110.5F554 D555 V581 C613 V617 Y694 P695F554-L583 WeakPolarHBondContact CA-O 3.44Å; D555-L583 PolarHBondContact N-O 3.11Å; V581-L583 HydrophobicContact CG1-CD1 4.08Å; L583-C613 WeakPolarHBondContact CD2-SG 3.49Å; L583-C613 VanDerWaalsContact CG-SG 3.59Å; L583-V617 HydrophobicContact CD1-CG1 3.96Å; L583-V617 HydrophobicContact CD2-CG1 4.28Å; L583-V617 HydrophobicContact CG-CG1 4.44Å; L583-Y694 HydrophobicContact CD2-CD2 4.19Å; L583-Y694 HydrophobicContact CD2-CG 4.03Å; L583-P695 CarbonylContact C-O 3.54Å; L583-P695 WeakPolarHBondContact CA-O 3.27Å
584G94Very high90.2Very high1 Ų135.1 Ų35.11%0.0119%0.19CC..BIsolated β-bridgetrans-70.3158.5165.500000112.3T553 A586 Y694 P695T553-G584 CarbonylContact O-C 3.54Å; T553-G584 VanDerWaalsContact O-CA 3.28Å; T553-G584 WeakPolarHBondContact O-CA 3.01Å; G584-A586 PolarHBondContact O-N 2.98Å; G584-Y694 VanDerWaalsContact O-CD1 3.29Å; G584-Y694 WeakPolarHBondContact O-CD1 3.44Å; G584-P695 PolarHBondContact N-O 2.83Å
585S89.7Confident90.3Very high59 Ų5935.1 Ų35.141%0.41319%0.19SC..SBendtrans-75.8-4.618065.90000114.4T553T553-S585 PolarHBondContact N-OG 3.48Å; T553-S585 VanDerWaalsContact N-OG 3.11Å; T553-S585 WeakPolarHBondContact O-CB 3.47Å; T553-S585 PolarHBondContact O-N 3.38Å; T553-S585 PolarHBondContact O-OG 3.07Å
586A87.8Confident90.4Very high9 Ų932.5 Ų32.57%0.07418%0.175CC..SBendtrans-137.5140.6-179.800000110.7F506 F552 G584 Y694 P695F506-A586 HydrophobicContact CE2-CB 4.4Å; F552-A586 HydrophobicContact CB-CB 4.05Å; G584-A586 PolarHBondContact O-N 2.98Å; A586-Y694 WeakPolarHBondContact O-CD1 3.46Å; A586-P695 WeakPolarHBondContact O-CD 3.37Å
587A88.3Confident90.6Very high33 Ų3331.7 Ų31.727%0.27317%0.169SC..  trans-96.3150168.700000111.4A692 Y693 Y694A587-A692 HydrophobicContact CB-CB 4.26Å; A587-Y693 CarbonylContact C-O 3.58Å; A587-Y693 WeakPolarHBondContact CA-O 3.47Å; A587-Y694 HydrophobicContact CB-CD1 3.91Å; A587-Y694 HydrophobicContact CB-CD2 3.95Å; A587-Y694 HydrophobicContact CB-CE1 3.64Å; A587-Y694 HydrophobicContact CB-CE2 3.67Å; A587-Y694 HydrophobicContact CB-CG 4.07Å
588F87.8Confident91Very high3 Ų325.9 Ų25.91%0.01315%0.149CC..BIsolated β-bridgetrans-115.6143.3173.1-52.5-59.4000109.6F506 A550 F552 H593 W595 F667 A692 Y693 P695F506-F588 HydrophobicContact CD2-CD1 4.29Å; F506-F588 HydrophobicContact CD2-CE1 4.19Å; F506-F588 HydrophobicContact CE2-CD1 4.38Å; F506-F588 AromaticContact CE2-CE1 3.98Å; F506-F588 HydrophobicContact CE2-CE1 3.98Å; A550-F588 HydrophobicContact CB-CE1 3.5Å; A550-F588 VanDerWaalsContact CB-CE1 3.5Å; A550-F588 HydrophobicContact CB-CZ 3.6Å; F552-F588 HydrophobicContact CD1-CE2 4.12Å; F552-F588 AromaticContact CD1-CZ 3.67Å; F552-F588 HydrophobicContact CD1-CZ 3.67Å; F552-F588 AromaticContact CE1-CE2 3.99Å; F552-F588 HydrophobicContact CE1-CE2 3.99Å; F552-F588 AromaticContact CE1-CZ 3.94Å; F552-F588 HydrophobicContact CE1-CZ 3.94Å; F552-F588 HydrophobicContact CG-CZ 4.46Å; F588-H593 AromaticContact CD1-CE1 3.69Å; F588-H593 AromaticContact CD1-ND1 3.8Å; F588-H593 AromaticContact CD1-NE2 3.89Å; F588-H593 AromaticContact CE1-ND1 3.98Å; F588-H593 AromaticContact CG-CD2 3.9Å; F588-H593 AromaticContact CG-CG 4Å; F588-W595 HydrophobicContact CD2-CZ3 4.39Å; F588-W595 HydrophobicContact CE2-CZ3 4.29Å; F588-F667 HydrophobicContact CB-CE2 3.57Å; F588-F667 HydrophobicContact CB-CZ 4.07Å; F588-F667 WeakPolarHBondContact O-CZ 3.37Å; F588-A692 CarbonylContact O-C 3.25Å; F588-A692 WeakPolarHBondContact O-CA 3.48Å; F588-Y693 PolarHBondContact N-O 2.93Å; F588-Y693 PolarHBondContact O-N 3.13Å; F588-P695 HydrophobicContact CD2-CG 4.07Å; F588-P695 HydrophobicContact CE2-CG 3.49Å; F588-P695 VanDerWaalsContact CE2-CG 3.49Å
589S84.1Confident91.2Very high32 Ų3221.2 Ų21.222%0.22412%0.124CC..  trans-142.1-2.5176.861.90000113.6H505 F667 G691H505-S589 PolarHBondContact CE1-OG 3.42Å; H505-S589 PolarHBondContact ND1-OG 3.33Å; H505-S589 VanDerWaalsContact ND1-OG 3.12Å; S589-F667 VanDerWaalsContact C-CD1 3.49Å; S589-F667 VanDerWaalsContact CA-CZ 3.45Å; S589-F667 WeakPolarHBondContact O-CD1 3.42Å; S589-G691 WeakPolarHBondContact CA-O 3.29Å; S589-G691 WeakPolarHBondContact CB-O 3.48Å
590R81.1Confident91.4Very high96 Ų9622.5 Ų22.536%0.36213%0.131SC..SBendtrans-153.7153.4-175.8-53.6-17681.7-163.52109.5N484 H593N484-R590 PolarHBondContact ND2-NH2 3.45Å; N484-R590 PolarHBondContact OD1-NH2 2.9Å; R590-H593 PolarHBondContact O-NE2 2.87Å
591G81.2Confident91.3Very high33 Ų3325.2 Ų25.234%0.3414%0.141SC..SBendtrans84.8-171.2178.200000114.2F667G591-F667 WeakPolarHBondContact O-CB 3.23Å; G591-F667 WeakPolarHBondContact O-CD2 3.3Å; G591-F667 PolarHBondContact O-N 2.96Å
592V85.1Confident91.1Very high27 Ų2725.9 Ų25.916%0.16414%0.144CC..EExtended strand (participates in β ladder)trans-116.6127.7177.2-173.20000108.6L664 L665 D666 I713 Y717 P719V592-L664 HydrophobicContact CG1-CD2 4.4Å; V592-L665 WeakPolarHBondContact CA-O 3.46Å; V592-D666 HydrophobicContact CG1-CB 4.1Å; V592-D666 HydrophobicContact CG2-CB 4.1Å; V592-D666 VanDerWaalsContact CG2-CG 3.49Å; V592-I713 HydrophobicContact CB-CD1 3.79Å; V592-I713 HydrophobicContact CG1-CD1 3.69Å; V592-I713 HydrophobicContact CG1-CG1 4.26Å; V592-Y717 HydrophobicContact CG1-CE1 4.15Å; V592-P719 HydrophobicContact CG2-CB 4.13Å
593H87.1Confident90.6Very high21 Ų2130.5 Ų30.510%0.09717%0.169CC..EExtended strand (participates in β ladder)trans-129.1142.7-174.4-57.3-80000110.5F588 R590 W595 L664 L665F588-H593 AromaticContact CD1-CE1 3.69Å; F588-H593 AromaticContact CD1-ND1 3.8Å; F588-H593 AromaticContact CD1-NE2 3.89Å; F588-H593 AromaticContact CE1-ND1 3.98Å; F588-H593 AromaticContact CG-CD2 3.9Å; F588-H593 AromaticContact CG-CG 4Å; R590-H593 PolarHBondContact O-NE2 2.87Å; H593-W595 HydrophobicContact CB-CZ3 4.24Å; H593-L664 WeakPolarHBondContact O-CA 3.41Å; H593-L665 PolarHBondContact N-O 3.02Å; H593-L665 PolarHBondContact O-N 3.44Å
594Y91.1Very high89.3Confident11 Ų1134.6 Ų34.64%0.04319%0.191CC..EExtended strand (participates in β ladder)trans-136.5138.8176.3-178.3-110.3000110.3E596 V663 L664 L675 L711 P712 P714Y594-E596 HydrophobicContact CE1-CG 3.74Å; Y594-E596 WeakPolarHBondContact CE1-OE1 3.49Å; Y594-E596 WeakPolarHBondContact OH-CG 3.49Å; Y594-E596 PolarHBondContact OH-OE1 2.91Å; Y594-V663 WeakPolarHBondContact CA-O 3.31Å; Y594-V663 VanDerWaalsContact CD2-O 3.27Å; Y594-V663 WeakPolarHBondContact CD2-O 3.42Å; Y594-L664 HydrophobicContact CD2-CB 3.91Å; Y594-L664 HydrophobicContact CD2-CD1 4.46Å; Y594-L664 HydrophobicContact CD2-CG 4.45Å; Y594-L675 HydrophobicContact CE2-CD1 4.04Å; Y594-L711 HydrophobicContact CD1-CB 3.97Å; Y594-L711 HydrophobicContact CE1-CB 4.35Å; Y594-L711 HydrophobicContact CE1-CD1 4.25Å; Y594-P712 WeakPolarHBondContact CD1-O 3.25Å; Y594-P714 HydrophobicContact CD1-CG 3.83Å; Y594-P714 HydrophobicContact CD2-CG 3.86Å; Y594-P714 HydrophobicContact CE1-CG 3.64Å; Y594-P714 HydrophobicContact CE2-CG 3.68Å; Y594-P714 HydrophobicContact CG-CG 3.92Å
595W94.4Very high88.4Confident2 Ų241.1 Ų41.11%0.00822%0.221CC..EExtended strand (participates in β ladder)trans-149.5160.5171.96592.9000110.3F552 F588 H593 I612 V663 L665 P695 L707F552-W595 HydrophobicContact CE1-CB 4.05Å; F552-W595 HydrophobicContact CE1-CD2 4.26Å; F552-W595 HydrophobicContact CE1-CE3 4.39Å; F552-W595 HydrophobicContact CE1-CG 4.14Å; F552-W595 HydrophobicContact CZ-CB 3.9Å; F552-W595 AromaticContact CZ-CD1 3.94Å; F552-W595 AromaticContact CZ-CD2 3.85Å; F552-W595 HydrophobicContact CZ-CD2 3.85Å; F552-W595 HydrophobicContact CZ-CE3 4.38Å; F552-W595 AromaticContact CZ-CG 3.62Å; F552-W595 HydrophobicContact CZ-CG 3.62Å; F588-W595 HydrophobicContact CD2-CZ3 4.39Å; F588-W595 HydrophobicContact CE2-CZ3 4.29Å; H593-W595 HydrophobicContact CB-CZ3 4.24Å; W595-I612 HydrophobicContact CH2-CG2 3.68Å; W595-I612 HydrophobicContact CZ2-CG2 3.89Å; W595-V663 HydrophobicContact CD2-CB 4.1Å; W595-V663 HydrophobicContact CH2-CB 4.25Å; W595-V663 HydrophobicContact CH2-CG1 3.7Å; W595-V663 HydrophobicContact CZ2-CB 3.64Å; W595-V663 HydrophobicContact CZ2-CG1 3.36Å; W595-V663 HydrophobicContact CZ2-CG2 4.29Å; W595-V663 HydrophobicContact CZ3-CG1 4.45Å; W595-V663 PolarHBondContact N-O 3.05Å; W595-V663 VanDerWaalsContact N-O 3.16Å; W595-V663 PolarHBondContact O-N 3.33Å; W595-L665 HydrophobicContact CH2-CB 4.28Å; W595-L665 HydrophobicContact CH2-CD2 4.47Å; W595-L665 HydrophobicContact CZ3-CB 4.17Å; W595-P695 HydrophobicContact CD2-CB 4.39Å; W595-P695 HydrophobicContact CD2-CG 4.34Å; W595-P695 HydrophobicContact CE3-CG 4.44Å; W595-P695 HydrophobicContact CH2-CB 4.25Å; W595-P695 HydrophobicContact CH2-CG 3.97Å; W595-P695 HydrophobicContact CZ2-CB 3.6Å; W595-P695 HydrophobicContact CZ2-CG 3.83Å; W595-P695 HydrophobicContact CZ3-CG 4.27Å; W595-L707 HydrophobicContact CG-CD1 4.49Å
596E95.8Very high87.9Confident41 Ų4139.8 Ų39.819%0.19221%0.21CC..EExtended strand (participates in β ladder)trans-124.9156.9-179.9-71.2174.3-163.700111.7Y594 T660 I661 H708 L711Y594-E596 HydrophobicContact CE1-CG 3.74Å; Y594-E596 WeakPolarHBondContact CE1-OE1 3.49Å; Y594-E596 WeakPolarHBondContact OH-CG 3.49Å; Y594-E596 PolarHBondContact OH-OE1 2.91Å; E596-T660 HydrophobicContact CB-CG2 3.86Å; E596-T660 HydrophobicContact CG-CG2 3.95Å; E596-T660 VanDerWaalsContact OE2-CG2 3.32Å; E596-T660 WeakPolarHBondContact OE2-CG2 3.4Å; E596-I661 CarbonylContact C-O 3.59Å; E596-I661 VanDerWaalsContact CA-O 3.24Å; E596-I661 WeakPolarHBondContact CA-O 3.16Å; E596-H708 HydrophobicContact CB-CB 4.23Å; E596-H708 PolarHBondContact N-O 3Å; E596-H708 PolarHBondContact O-N 3.13Å; E596-L711 HydrophobicContact CB-CD1 3.57Å; E596-L711 VanDerWaalsContact CD-CD1 3.46Å; E596-L711 HydrophobicContact CG-CD1 3.47Å; E596-L711 VanDerWaalsContact CG-CD1 3.47Å
597M96.6Very high87.9Confident2 Ų241.1 Ų41.11%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-138123.2177.6-71.8162.5-67.600109.7F610 I661 V663 I697 V705 T706 L707M597-F610 HydrophobicContact CB-CD1 4.34Å; M597-F610 HydrophobicContact CB-CE1 4.28Å; M597-F610 HydrophobicContact CE-CB 4.13Å; M597-F610 HydrophobicContact CE-CD1 3.8Å; M597-F610 HydrophobicContact CE-CG 4.4Å; M597-F610 HydrophobicContact SD-CD1 3.82Å; M597-F610 HydrophobicContact SD-CE1 4.48Å; M597-I661 HydrophobicContact CE-CG2 4.34Å; M597-I661 PolarHBondContact N-O 2.77Å; M597-I661 WeakPolarHBondContact O-CD1 3.33Å; M597-I661 PolarHBondContact O-N 2.92Å; M597-V663 HydrophobicContact CE-CG2 3.43Å; M597-V663 VanDerWaalsContact CE-CG2 3.43Å; M597-I697 HydrophobicContact CE-CG2 4.36Å; M597-I697 HydrophobicContact SD-CG2 3.29Å; M597-I697 WeakPolarHBondContact SD-CG2 3.47Å; M597-V705 HydrophobicContact CB-CG1 3.7Å; M597-V705 HydrophobicContact CG-CG1 4.18Å; M597-T706 CarbonylContact C-O 3.59Å; M597-T706 VanDerWaalsContact CA-O 3.28Å; M597-T706 WeakPolarHBondContact CA-O 3.45Å; M597-L707 HydrophobicContact CG-CD1 3.7Å; M597-L707 HydrophobicContact SD-CD1 4.31Å
598T97.4Very high88.2Confident28 Ų2839.6 Ų39.617%0.17220%0.204CC..EExtended strand (participates in β ladder)trans-93.8134.9176.6-58.80000110.9D600 S659 V705 T706 H708T598-D600 PolarHBondContact O-N 3.18Å; T598-S659 WeakPolarHBondContact CA-O 3.38Å; T598-V705 VanDerWaalsContact O-CA 3.29Å; T598-V705 WeakPolarHBondContact O-CA 3.46Å; T598-T706 PolarHBondContact N-O 2.84Å; T598-T706 PolarHBondContact O-N 3.37Å; T598-H708 PolarHBondContact OG1-CD2 3.18Å; T598-H708 PolarHBondContact OG1-NE2 2.72Å
599V96.2Very high88.6Confident0 Ų039.4 Ų39.40%020%0.203CC..EExtended strand (participates in β ladder)trans-83.3102.4174.1-176.90000109.7F610 V655 G658 S659 I661V599-F610 HydrophobicContact CG2-CZ 4.19Å; V599-V655 HydrophobicContact CG2-CB 4.4Å; V599-G658 PolarHBondContact O-N 3.36Å; V599-S659 PolarHBondContact N-O 3.45Å; V599-I661 HydrophobicContact CG2-CD1 3.37Å
600D95.7Very high89.3Confident48 Ų4838 Ų3826%0.25719%0.193SC..EExtended strand (participates in β ladder)trans-77.8-33.2-179-58.1-53.8000112.5T598 K657 Q704 V705 T706T598-D600 PolarHBondContact O-N 3.18Å; D600-K657 WeakPolarHBondContact O-CD 3.41Å; D600-K657 VanDerWaalsContact O-CE 3.23Å; D600-K657 WeakPolarHBondContact O-CE 3.44Å; D600-K657 WeakPolarHBondContact O-CG 3.44Å; D600-Q704 HydrophobicContact CB-CB 4.19Å; D600-Q704 HydrophobicContact CB-CG 4.01Å; D600-Q704 PolarHBondContact N-O 3.38Å; D600-V705 VanDerWaalsContact OD2-C 3.32Å; D600-T706 WeakPolarHBondContact OD2-CB 3.37Å; D600-T706 PolarHBondContact OD2-N 3.11Å; D600-T706 VanDerWaalsContact OD2-N 3.13Å; D600-T706 PolarHBondContact OD2-OG1 3.21Å
601R94.2Very high90.1Very high79 Ų7933.4 Ų33.430%0.29818%0.175SC..EExtended strand (participates in β ladder)trans-147.5136.9178.9-176.117668.4-113.82.1109.8R701 V703 Q704R601-R701 PolarHBondContact NH2-O 3.38Å; R601-V703 VanDerWaalsContact O-CA 3.31Å; R601-V703 WeakPolarHBondContact O-CA 3.41Å; R601-Q704 HydrophobicContact CB-CB 3.92Å; R601-Q704 PolarHBondContact N-O 3.27Å; R601-Q704 PolarHBondContact O-N 3.06Å
602Y92.1Very high90.8Very high15 Ų1531.8 Ų31.86%0.05916%0.159CC..EExtended strand (participates in β ladder)trans-154.1115.2171176.3-138.2000109.8D607 N636 V655 N702 V703Y602-D607 PolarHBondContact OH-OD1 2.9Å; Y602-N636 WeakPolarHBondContact CE1-OD1 3.27Å; Y602-V655 HydrophobicContact CD1-CG2 3.93Å; Y602-V655 HydrophobicContact CE1-CG2 3.81Å; Y602-N702 WeakPolarHBondContact CA-O 3.4Å; Y602-V703 HydrophobicContact CD2-CG2 3.8Å; Y602-V703 HydrophobicContact CE2-CG2 4.4Å
603D86.1Confident91.4Very high97 Ų9730.5 Ų30.552%0.51915%0.151SC..  trans-104.529.9-177.6-56.7-41.7000113.1H605 N702D603-H605 PolarHBondContact O-N 3.47Å; D603-N702 HydrophobicContact CB-CB 4.13Å; D603-N702 PolarHBondContact N-O 3.2Å
604N69.5Low91.8Very high89 Ų8934.7 Ų34.748%0.47617%0.166SC..SBendtrans68.99.6165.4-54.1-20.3000118.5N636N604-N636 PolarHBondContact ND2-ND2 2.77Å; N604-N636 VanDerWaalsContact ND2-ND2 3.12Å; N604-N636 VanDerWaalsContact OD1-CG 3.27Å; N604-N636 PolarHBondContact OD1-ND2 3.43Å; N604-N636 PolarHBondContact OD1-OD1 3Å
605H75.4Confident91.8Very high138 Ų13836.3 Ų36.364%0.63919%0.186SC*.SBendtrans-170.4136.5169.5-156.461.1000111.5D603 N702D603-H605 PolarHBondContact O-N 3.47Å; H605-N702 PolarHBondContact O-ND2 3.17Å
606P78.2Confident91.8Very high31 Ų3140.9 Ų40.920%0.20121%0.211CC..SBendcis-67.8164.9-22.4-410.5000114.1N700P606-N700 VanDerWaalsContact CB-ND2 3.29Å; P606-N700 WeakPolarHBondContact CB-ND2 3.42Å; P606-N700 VanDerWaalsContact CD-CG 3.43Å; P606-N700 WeakPolarHBondContact CD-ND2 3.43Å; P606-N700 HydrophobicContact CG-CB 4.27Å; P606-N700 WeakPolarHBondContact CG-ND2 3.44Å; P606-N700 PolarHBondContact O-ND2 3.42Å
607D89.3Confident91.8Very high37 Ų3739.3 Ų39.320%0.19820%0.204CC..PPolyproline II helixtrans-81135.2-175.3-60.8-27.7000112.5Y602 M622 V634Y602-D607 PolarHBondContact OH-OD1 2.9Å; D607-M622 VanDerWaalsContact O-CE 3.23Å; D607-M622 WeakPolarHBondContact O-CE 3.48Å; D607-V634 WeakPolarHBondContact CB-O 3.14Å
608P94.6Very high91.7Very high1 Ų143.9 Ų43.91%0.00623%0.228CC..PPolyproline II helixtrans-75.6160.5176.430.9-34.4000112.8F610 Y633 V634 S698 V703P608-F610 HydrophobicContact CB-CE2 3.92Å; P608-F610 HydrophobicContact CB-CZ 4.07Å; P608-F610 HydrophobicContact CG-CE2 3.87Å; P608-F610 HydrophobicContact CG-CZ 4.16Å; P608-Y633 WeakPolarHBondContact O-CA 3.45Å; P608-V634 HydrophobicContact CG-CG1 4.3Å; P608-V634 PolarHBondContact O-N 3.18Å; P608-V634 VanDerWaalsContact O-N 3.11Å; P608-S698 WeakPolarHBondContact CA-O 3.33Å; P608-V703 HydrophobicContact CB-CG1 4.07Å; P608-V703 HydrophobicContact CB-CG2 4.22Å; P608-V703 HydrophobicContact CG-CG1 4.36Å; P608-V703 HydrophobicContact CG-CG2 4.22Å
609A96.4Very high91.6Very high0 Ų045.6 Ų45.60%023%0.233CC..EExtended strand (participates in β ladder)trans-131.2143.7171.200000111.7M622 L623 A631 M632 I697 S698A609-M622 HydrophobicContact CB-CG 4.17Å; A609-L623 HydrophobicContact CB-CB 4.04Å; A609-A631 HydrophobicContact CB-CB 4.38Å; A609-M632 CarbonylContact C-O 3.57Å; A609-M632 VanDerWaalsContact CA-O 3.32Å; A609-M632 WeakPolarHBondContact CA-O 3.45Å; A609-I697 CarbonylContact O-C 3.56Å; A609-I697 VanDerWaalsContact O-CA 3.25Å; A609-I697 WeakPolarHBondContact O-CA 3.44Å; A609-S698 WeakPolarHBondContact CB-OG 3.41Å; A609-S698 PolarHBondContact N-O 3.38Å; A609-S698 PolarHBondContact O-N 3.06Å
610F97.6Very high91.5Very high1 Ų150 Ų500%0.00426%0.257CS..EExtended strand (participates in β ladder)trans-128.1139-174.4-56.1-92.8000109.4M597 V599 P608 A631 M632 V634 I661 F674 I697 V705M597-F610 HydrophobicContact CB-CD1 4.34Å; M597-F610 HydrophobicContact CB-CE1 4.28Å; M597-F610 HydrophobicContact CE-CB 4.13Å; M597-F610 HydrophobicContact CE-CD1 3.8Å; M597-F610 HydrophobicContact CE-CG 4.4Å; M597-F610 HydrophobicContact SD-CD1 3.82Å; M597-F610 HydrophobicContact SD-CE1 4.48Å; V599-F610 HydrophobicContact CG2-CZ 4.19Å; P608-F610 HydrophobicContact CB-CE2 3.92Å; P608-F610 HydrophobicContact CB-CZ 4.07Å; P608-F610 HydrophobicContact CG-CE2 3.87Å; P608-F610 HydrophobicContact CG-CZ 4.16Å; F610-A631 CarbonylContact O-C 3.57Å; F610-A631 VanDerWaalsContact O-CA 3.27Å; F610-A631 WeakPolarHBondContact O-CA 3.02Å; F610-M632 PolarHBondContact N-O 3.19Å; F610-M632 PolarHBondContact O-N 3.32Å; F610-V634 HydrophobicContact CD2-CG1 4.02Å; F610-V634 HydrophobicContact CE2-CG1 3.69Å; F610-I661 HydrophobicContact CB-CG2 3.97Å; F610-I661 HydrophobicContact CD1-CB 4.36Å; F610-I661 HydrophobicContact CD1-CG1 4.42Å; F610-I661 HydrophobicContact CD1-CG2 4.31Å; F610-I661 HydrophobicContact CD2-CG1 4.06Å; F610-I661 HydrophobicContact CD2-CG2 4.29Å; F610-I661 HydrophobicContact CE1-CD1 4.04Å; F610-I661 HydrophobicContact CE1-CG1 4.31Å; F610-I661 HydrophobicContact CE2-CD1 3.98Å; F610-I661 HydrophobicContact CE2-CG1 3.94Å; F610-I661 HydrophobicContact CG-CB 4.38Å; F610-I661 HydrophobicContact CG-CG1 4.3Å; F610-I661 HydrophobicContact CG-CG2 3.95Å; F610-I661 HydrophobicContact CZ-CD1 3.7Å; F610-I661 HydrophobicContact CZ-CG1 4.08Å; F610-F674 VanDerWaalsContact O-CE1 3.31Å; F610-F674 WeakPolarHBondContact O-CE1 3.47Å; F610-I697 HydrophobicContact CD1-CB 4.4Å; F610-I697 HydrophobicContact CD1-CG2 3.6Å; F610-I697 HydrophobicContact CE1-CG2 4.24Å; F610-I697 HydrophobicContact CG-CG2 4.41Å; F610-V705 HydrophobicContact CE1-CG1 4.11Å; F610-V705 HydrophobicContact CE1-CG2 3.94Å; F610-V705 HydrophobicContact CZ-CG2 4.15Å
611G97.1Very high91.4Very high0 Ų049.9 Ų49.90%026%0.257CS..EExtended strand (participates in β ladder)trans175.1-152.5-173.100000115.4W630 A696G611-W630 VanDerWaalsContact CA-O 3.23Å; G611-W630 WeakPolarHBondContact CA-O 3.47Å; G611-A696 CarbonylContact C-O 3.45Å; G611-A696 PolarHBondContact N-O 3.33Å; G611-A696 PolarHBondContact O-N 2.73Å
612I97.4Very high91.4Very high0 Ų047 Ų470%025%0.248CC..EExtended strand (participates in β ladder)trans-130.2155.2175.466.4176.9000109.9W595 A629 W630 L665 L672 L689 Y693 Y694W595-I612 HydrophobicContact CH2-CG2 3.68Å; W595-I612 HydrophobicContact CZ2-CG2 3.89Å; I612-A629 WeakPolarHBondContact O-CA 3.4Å; I612-W630 HydrophobicContact CG1-CB 3.93Å; I612-W630 HydrophobicContact CG1-CE3 4.4Å; I612-W630 PolarHBondContact N-O 3.15Å; I612-W630 PolarHBondContact O-N 3.02Å; I612-L665 HydrophobicContact CD1-CD1 3.96Å; I612-L665 HydrophobicContact CD1-CD2 4.38Å; I612-L665 HydrophobicContact CG2-CD2 4.31Å; I612-L672 HydrophobicContact CD1-CD1 4.37Å; I612-L672 HydrophobicContact CD1-CD2 3.82Å; I612-L672 HydrophobicContact CG1-CD2 3.81Å; I612-L672 HydrophobicContact CG2-CD1 4.17Å; I612-L672 HydrophobicContact CG2-CD2 4.48Å; I612-L689 HydrophobicContact CD1-CD1 3.92Å; I612-L689 HydrophobicContact CD1-CD2 4.38Å; I612-Y693 HydrophobicContact CD1-CD1 4.04Å; I612-Y693 HydrophobicContact CD1-CD2 4.28Å; I612-Y693 HydrophobicContact CD1-CG 3.88Å; I612-Y693 HydrophobicContact CG1-CD1 4.36Å; I612-Y693 HydrophobicContact CG1-CG 4.49Å; I612-Y694 CarbonylContact C-O 3.22Å; I612-Y694 WeakPolarHBondContact CA-O 3.48Å
613C96.9Very high91.7Very high0 Ų046.3 Ų46.30%025%0.245CC..EExtended strand (participates in β ladder)trans-148.8167.4176.172.80000113.2L583 V617 L623 K628 A629 Y693 Y694 A696L583-C613 WeakPolarHBondContact CD2-SG 3.49Å; L583-C613 VanDerWaalsContact CG-SG 3.59Å; C613-V617 HydrophobicContact CB-CB 3.92Å; C613-V617 HydrophobicContact CB-CG1 4.15Å; C613-V617 HydrophobicContact CB-CG2 3.9Å; C613-L623 HydrophobicContact CB-CD1 4.15Å; C613-K628 CarbonylContact C-O 3.53Å; C613-K628 VanDerWaalsContact CA-O 3.23Å; C613-K628 WeakPolarHBondContact CA-O 3.45Å; C613-K628 WeakPolarHBondContact CB-O 3.48Å; C613-A629 HydrophobicContact CB-CB 3.97Å; C613-Y693 CarbonylContact O-C 3.54Å; C613-Y693 WeakPolarHBondContact O-CA 3.38Å; C613-Y694 PolarHBondContact N-O 2.93Å; C613-Y694 PolarHBondContact O-N 3.17Å; C613-A696 HydrophobicContact CB-CB 4.08Å; C613-A696 VanDerWaalsContact SG-CB 3.56Å
614R95.3Very high92.1Very high109 Ų10941.7 Ų41.741%0.41122%0.22SC..  trans-80.1160165.7-64.6-175.7171.7-177.7-2.1110.4D616 V617 K628 W630 Y693R614-D616 WeakPolarHBondContact CB-OD1 3.49Å; R614-D616 PolarHBondContact O-N 3.48Å; R614-D616 VanDerWaalsContact O-N 3.16Å; R614-V617 WeakPolarHBondContact O-CB 3.31Å; R614-V617 PolarHBondContact O-N 3.28Å; R614-K628 HydrophobicContact CB-CB 4.35Å; R614-K628 PolarHBondContact N-O 3.33Å; R614-W630 HydrophobicContact CG-CZ3 4.26Å; R614-Y693 HydrophobicContact CG-CD1 4.34Å; R614-Y693 HydrophobicContact CG-CE1 4.26Å
615G91.9Very high93.3Very high45 Ų4541.7 Ų41.746%0.46422%0.216SC..THydrogen-bonded Turntrans-64.1-19.6-176.500000114.6
616D93.3Very high94.2Very high97 Ų9735.6 Ų35.652%0.51919%0.188SC..THydrogen-bonded Turntrans-103.922.3-17968.9-37.7000113.7R614 K628R614-D616 WeakPolarHBondContact CB-OD1 3.49Å; R614-D616 PolarHBondContact O-N 3.48Å; R614-D616 VanDerWaalsContact O-N 3.16Å; D616-K628 VanDerWaalsContact CG-NZ 3.33Å; D616-K628 WeakPolarHBondContact O-CD 3.48Å; D616-K628 PolarHBondContact O-NZ 2.91Å; D616-K628 WeakPolarHBondContact OD2-CE 3.41Å; D616-K628 IonicContact OD2-NZ 3.13Å; D616-K628 PolarHBondContact OD2-NZ 3.48Å
617V96.1Very high95Very high9 Ų938.7 Ų38.76%0.05520%0.203CC..  trans-57.6147.9172.971.70000112.1V581 L583 C613 R614 K619 L623 D626 K628 A629V581-V617 HydrophobicContact CG1-CG1 4.09Å; L583-V617 HydrophobicContact CD1-CG1 3.96Å; L583-V617 HydrophobicContact CD2-CG1 4.28Å; L583-V617 HydrophobicContact CG-CG1 4.44Å; C613-V617 HydrophobicContact CB-CB 3.92Å; C613-V617 HydrophobicContact CB-CG1 4.15Å; C613-V617 HydrophobicContact CB-CG2 3.9Å; R614-V617 WeakPolarHBondContact O-CB 3.31Å; R614-V617 PolarHBondContact O-N 3.28Å; V617-K619 PolarHBondContact O-N 3.49Å; V617-L623 HydrophobicContact CG2-CD1 4.49Å; V617-D626 VanDerWaalsContact CG2-OD2 3.24Å; V617-D626 WeakPolarHBondContact CG2-OD2 3.34Å; V617-K628 HydrophobicContact CB-CB 4.35Å; V617-K628 HydrophobicContact CG2-CB 4.37Å; V617-A629 HydrophobicContact CG2-CB 3.93Å
618L95.7Very high95.4Very high97 Ų9739.4 Ų39.451%0.50820%0.204SC..  trans-70.7124.2172.3-66.2-179.8000110.5V581 V621 D626V581-L618 WeakPolarHBondContact CG2-O 3.5Å; L618-V621 HydrophobicContact CB-CG2 3.59Å; L618-V621 HydrophobicContact CD1-CG2 4.46Å; L618-D626 HydrophobicContact CD1-CB 4.16Å; L618-D626 HydrophobicContact CG-CB 4.4Å; L618-D626 PolarHBondContact N-OD2 2.93Å
619K95.1Very high95.4Very high64 Ų6439.3 Ų39.328%0.27820%0.204SC..SBendtrans-89.7-17.4-174.3-64.5171-173.6162.80114.7S558 R580 V581 V617S558-K619 WeakPolarHBondContact O-CD 3.49Å; S558-K619 WeakPolarHBondContact O-CE 3.37Å; S558-K619 PolarHBondContact O-NZ 2.87Å; R580-K619 WeakPolarHBondContact CA-O 3.26Å; V581-K619 PolarHBondContact N-O 3.44Å; V617-K619 PolarHBondContact O-N 3.49Å
620D94.3Very high95.5Very high93 Ų9340.6 Ų40.650%0.49721%0.209SC..SBendtrans-9917.7-175.3-56.6-40.7000113.1H560 D579 R580H560-D620 IonicContact CD2-OD1 3.19Å; H560-D620 PolarHBondContact CD2-OD1 3.46Å; H560-D620 IonicContact CG-OD1 3.79Å; H560-D620 IonicContact NE2-OD1 2.96Å; D579-D620 CarbonylContact O-C 3.48Å; R580-D620 IonicContact CZ-OD1 3.1Å; R580-D620 IonicContact NE-OD1 3.58Å; R580-D620 IonicContact NH1-OD1 3.92Å
621V93.6Very high95.5Very high45 Ų4540.6 Ų40.627%0.27321%0.209SC..SBendtrans-132.6164.6179.4-59.70000110.1V581 L618 K625V581-V621 VanDerWaalsContact CG2-O 3.27Å; V581-V621 WeakPolarHBondContact CG2-O 3.42Å; L618-V621 HydrophobicContact CB-CG2 3.59Å; L618-V621 HydrophobicContact CD1-CG2 4.46Å; V621-K625 HydrophobicContact CB-CB 4.47Å; V621-K625 HydrophobicContact CB-CD 4.44Å; V621-K625 HydrophobicContact CG2-CB 4.37Å
622M94.5Very high95.5Very high19 Ų1940.6 Ų40.69%0.09421%0.209CC..  trans-64.2140.2170.6179.7178-76.900111D579 D607 A609 G624 K625 M642D579-M622 HydrophobicContact CB-CB 4.13Å; D579-M622 WeakPolarHBondContact OD2-CE 3.46Å; D607-M622 VanDerWaalsContact O-CE 3.23Å; D607-M622 WeakPolarHBondContact O-CE 3.48Å; A609-M622 HydrophobicContact CB-CG 4.17Å; M622-G624 PolarHBondContact O-N 3.29Å; M622-K625 HydrophobicContact CB-CD 3.88Å; M622-K625 HydrophobicContact CB-CG 4.12Å; M622-K625 WeakPolarHBondContact O-CB 3.38Å; M622-K625 PolarHBondContact O-N 2.8Å; M622-K625 VanDerWaalsContact O-N 3.14Å; M622-M642 HydrophobicContact SD-CE 3.72Å
623L96.7Very high95.3Very high1 Ų142.2 Ų42.21%0.00522%0.215CC..THydrogen-bonded Turntrans-59.9130.7179.1-167.872.7000110.4V581 A609 C613 V617 A629 A631 A696 S698V581-L623 HydrophobicContact CG1-CD1 3.77Å; V581-L623 HydrophobicContact CG2-CB 4.31Å; V581-L623 HydrophobicContact CG2-CD1 4.07Å; A609-L623 HydrophobicContact CB-CB 4.04Å; C613-L623 HydrophobicContact CB-CD1 4.15Å; V617-L623 HydrophobicContact CG2-CD1 4.49Å; L623-A629 HydrophobicContact CD1-CB 3.51Å; L623-A629 HydrophobicContact CG-CB 3.92Å; L623-A631 HydrophobicContact CB-CB 4.15Å; L623-A631 HydrophobicContact CD2-CB 3.73Å; L623-A631 HydrophobicContact CG-CB 3.76Å; L623-A696 HydrophobicContact CD1-CB 3.81Å; L623-A696 HydrophobicContact CD2-CB 3.92Å; L623-A696 WeakPolarHBondContact CD2-O 3.46Å; L623-S698 WeakPolarHBondContact CB-OG 3.41Å; L623-S698 PolarHBondContact N-OG 2.87Å
624G95Very high95.1Very high0 Ų042.2 Ų42.20%022%0.215CC..THydrogen-bonded Turntrans93-6.5-176.600000114.7M622 D626 M642 H643 N644 N645M622-G624 PolarHBondContact O-N 3.29Å; G624-D626 VanDerWaalsContact C-N 3.34Å; G624-M642 WeakPolarHBondContact O-CG 3.18Å; G624-H643 CarbonylContact O-C 3.59Å; G624-H643 VanDerWaalsContact O-CA 3.3Å; G624-H643 WeakPolarHBondContact O-CA 3.42Å; G624-N644 PolarHBondContact O-N 3.25Å; G624-N645 PolarHBondContact O-N 3.48Å
625K95.3Very high95Very high88 Ų8837.8 Ų37.838%0.38320%0.2SC..SBendtrans-72.3-25.6172.8-76.5-172.6173.7168.50113.6V621 M622 M642 N645V621-K625 HydrophobicContact CB-CB 4.47Å; V621-K625 HydrophobicContact CB-CD 4.44Å; V621-K625 HydrophobicContact CG2-CB 4.37Å; M622-K625 HydrophobicContact CB-CD 3.88Å; M622-K625 HydrophobicContact CB-CG 4.12Å; M622-K625 WeakPolarHBondContact O-CB 3.38Å; M622-K625 PolarHBondContact O-N 2.8Å; M622-K625 VanDerWaalsContact O-N 3.14Å; K625-M642 HydrophobicContact CG-SD 3.87Å; K625-N645 WeakPolarHBondContact O-CB 3.48Å; K625-N645 PolarHBondContact O-N 3.48Å
626D94.6Very high95Very high11 Ų1138.4 Ų38.46%0.05919%0.192CC..SBendtrans-97.8173.9173.370.411.6000111.7V617 L618 G624 K628 A629 N644V617-D626 VanDerWaalsContact CG2-OD2 3.24Å; V617-D626 WeakPolarHBondContact CG2-OD2 3.34Å; L618-D626 HydrophobicContact CD1-CB 4.16Å; L618-D626 HydrophobicContact CG-CB 4.4Å; L618-D626 PolarHBondContact N-OD2 2.93Å; G624-D626 VanDerWaalsContact C-N 3.34Å; D626-K628 PolarHBondContact O-N 3.35Å; D626-K628 PolarHBondContact OD1-N 2.92Å; D626-A629 WeakPolarHBondContact OD1-CB 3.42Å; D626-A629 PolarHBondContact OD1-N 3.45Å; D626-A629 VanDerWaalsContact OD1-N 3.09Å; D626-N644 VanDerWaalsContact O-CA 3.25Å; D626-N644 WeakPolarHBondContact O-CA 3.44Å; D626-N644 PolarHBondContact O-N 3.04Å
627D94.9Very high94.9Very high95 Ų9539.2 Ų39.251%0.50820%0.197SC..THydrogen-bonded Turntrans-81.47.8177.564.2-23000113.2H643 N644D627-H643 PolarHBondContact O-CE1 3.28Å; D627-N644 HydrophobicContact CB-CB 4.31Å
628K96.2Very high94.8Very high52 Ų5242.1 Ų42.123%0.22621%0.207CC..THydrogen-bonded Turntrans-113.2-2.2-174.1-56.9179.8-171.7-173.40113.2C613 R614 D616 V617 D626 W630C613-K628 CarbonylContact C-O 3.53Å; C613-K628 VanDerWaalsContact CA-O 3.23Å; C613-K628 WeakPolarHBondContact CA-O 3.45Å; C613-K628 WeakPolarHBondContact CB-O 3.48Å; R614-K628 HydrophobicContact CB-CB 4.35Å; R614-K628 PolarHBondContact N-O 3.33Å; D616-K628 VanDerWaalsContact CG-NZ 3.33Å; D616-K628 WeakPolarHBondContact O-CD 3.48Å; D616-K628 PolarHBondContact O-NZ 2.91Å; D616-K628 WeakPolarHBondContact OD2-CE 3.41Å; D616-K628 IonicContact OD2-NZ 3.13Å; D616-K628 PolarHBondContact OD2-NZ 3.48Å; V617-K628 HydrophobicContact CB-CB 4.35Å; V617-K628 HydrophobicContact CG2-CB 4.37Å; D626-K628 PolarHBondContact O-N 3.35Å; D626-K628 PolarHBondContact OD1-N 2.92Å; K628-W630 VanDerWaalsContact C-CZ3 3.43Å; K628-W630 VanDerWaalsContact O-CZ3 3.23Å; K628-W630 WeakPolarHBondContact O-CZ3 3.48Å
629A96.5Very high94.8Very high0 Ų037.5 Ų37.50%018%0.183CC..EExtended strand (participates in β ladder)trans-128144.6179.700000112.1I612 C613 V617 L623 D626 H643I612-A629 WeakPolarHBondContact O-CA 3.4Å; C613-A629 HydrophobicContact CB-CB 3.97Å; V617-A629 HydrophobicContact CG2-CB 3.93Å; L623-A629 HydrophobicContact CD1-CB 3.51Å; L623-A629 HydrophobicContact CG-CB 3.92Å; D626-A629 WeakPolarHBondContact OD1-CB 3.42Å; D626-A629 PolarHBondContact OD1-N 3.45Å; D626-A629 VanDerWaalsContact OD1-N 3.09Å; A629-H643 PolarHBondContact O-ND1 3.07Å
630W97.4Very high94.8Very high27 Ų2736 Ų3610%0.10218%0.175CC..EExtended strand (participates in β ladder)trans-126112.9176.3-66.8-97.8000107.1G611 I612 R614 K628 H643 L672 F686 L689 Y693G611-W630 VanDerWaalsContact CA-O 3.23Å; G611-W630 WeakPolarHBondContact CA-O 3.47Å; I612-W630 HydrophobicContact CG1-CB 3.93Å; I612-W630 HydrophobicContact CG1-CE3 4.4Å; I612-W630 PolarHBondContact N-O 3.15Å; I612-W630 PolarHBondContact O-N 3.02Å; R614-W630 HydrophobicContact CG-CZ3 4.26Å; K628-W630 VanDerWaalsContact C-CZ3 3.43Å; K628-W630 VanDerWaalsContact O-CZ3 3.23Å; K628-W630 WeakPolarHBondContact O-CZ3 3.48Å; W630-H643 AromaticContact CD1-CG 3.88Å; W630-H643 AromaticContact CD1-ND1 3.68Å; W630-H643 AromaticContact CD2-ND1 3.89Å; W630-H643 AromaticContact CE2-CE1 3.44Å; W630-H643 VanDerWaalsContact CE2-CE1 3.44Å; W630-H643 AromaticContact CE2-ND1 3.59Å; W630-H643 AromaticContact CG-ND1 3.97Å; W630-H643 AromaticContact CZ2-CE1 3.52Å; W630-H643 AromaticContact NE1-CE1 3.5Å; W630-H643 AromaticContact NE1-CG 3.83Å; W630-H643 AromaticContact NE1-ND1 3.46Å; W630-H643 PolarHBondContact NE1-ND1 2.84Å; W630-H643 AromaticContact NE1-NE2 3.9Å; W630-L672 HydrophobicContact CB-CD2 4.09Å; W630-F686 HydrophobicContact CB-CD2 3.82Å; W630-F686 HydrophobicContact CB-CE2 3.8Å; W630-F686 HydrophobicContact CB-CG 4.21Å; W630-F686 HydrophobicContact CB-CZ 4.19Å; W630-F686 AromaticContact CD1-CD1 3.48Å; W630-F686 VanDerWaalsContact CD1-CD1 3.48Å; W630-F686 AromaticContact CD1-CE1 3.84Å; W630-F686 AromaticContact CD1-CG 3.58Å; W630-F686 HydrophobicContact CG-CD1 4.44Å; W630-F686 HydrophobicContact CG-CD2 4.37Å; W630-F686 HydrophobicContact CG-CG 4.27Å; W630-L689 HydrophobicContact CD2-CD2 4.07Å; W630-L689 HydrophobicContact CG-CD2 4.11Å; W630-Y693 HydrophobicContact CD2-CE1 4.49Å; W630-Y693 HydrophobicContact CE3-CD1 4.15Å; W630-Y693 AromaticContact CE3-CE1 3.73Å; W630-Y693 HydrophobicContact CE3-CE1 3.73Å; W630-Y693 AromaticContact CH2-CE1 3.73Å; W630-Y693 HydrophobicContact CH2-CE1 3.73Å; W630-Y693 HydrophobicContact CZ2-CE1 4.44Å; W630-Y693 AromaticContact CZ3-CD1 3.96Å; W630-Y693 HydrophobicContact CZ3-CD1 3.96Å; W630-Y693 AromaticContact CZ3-CE1 3.33Å; W630-Y693 HydrophobicContact CZ3-CE1 3.33Å
631A97.5Very high94.9Very high0 Ų031.5 Ų31.50%015%0.151CC..EExtended strand (participates in β ladder)trans-139.6161-167.400000113.1A609 F610 L623 F641 M642A609-A631 HydrophobicContact CB-CB 4.38Å; F610-A631 CarbonylContact O-C 3.57Å; F610-A631 VanDerWaalsContact O-CA 3.27Å; F610-A631 WeakPolarHBondContact O-CA 3.02Å; L623-A631 HydrophobicContact CB-CB 4.15Å; L623-A631 HydrophobicContact CD2-CB 3.73Å; L623-A631 HydrophobicContact CG-CB 3.76Å; A631-F641 CarbonylContact O-C 3.58Å; A631-F641 WeakPolarHBondContact O-CA 3.44Å; A631-M642 PolarHBondContact N-O 3.12Å; A631-M642 PolarHBondContact O-N 3.2Å
632M96.9Very high95Very high0 Ų029.5 Ų29.50%014%0.139CC..EExtended strand (participates in β ladder)trans-109.5119160.9179.9179.769.700108A609 F610 W640 F641 I661 F674 I676 Q681A609-M632 CarbonylContact C-O 3.57Å; A609-M632 VanDerWaalsContact CA-O 3.32Å; A609-M632 WeakPolarHBondContact CA-O 3.45Å; F610-M632 PolarHBondContact N-O 3.19Å; F610-M632 PolarHBondContact O-N 3.32Å; M632-W640 CarbonylContact C-O 3.57Å; M632-W640 VanDerWaalsContact CA-O 3.26Å; M632-W640 WeakPolarHBondContact CA-O 3.39Å; M632-F641 HydrophobicContact CB-CD1 4.26Å; M632-F641 HydrophobicContact CG-CD1 4.32Å; M632-F641 HydrophobicContact SD-CE1 4.46Å; M632-I661 HydrophobicContact CE-CG2 4.07Å; M632-F674 HydrophobicContact CB-CB 4.34Å; M632-F674 HydrophobicContact CB-CD1 4.01Å; M632-F674 HydrophobicContact CB-CD2 3.7Å; M632-F674 HydrophobicContact CB-CE1 4.23Å; M632-F674 HydrophobicContact CB-CE2 3.92Å; M632-F674 HydrophobicContact CB-CG 3.74Å; M632-F674 HydrophobicContact CB-CZ 4.18Å; M632-F674 HydrophobicContact CE-CB 3.74Å; M632-F674 HydrophobicContact CE-CD1 4.33Å; M632-F674 HydrophobicContact CE-CG 4.18Å; M632-F674 HydrophobicContact SD-CB 3.56Å; M632-F674 VanDerWaalsContact SD-CB 3.56Å; M632-F674 HydrophobicContact SD-CD2 4.48Å; M632-F674 HydrophobicContact SD-CG 4.04Å; M632-I676 HydrophobicContact CE-CD1 3.96Å; M632-I676 HydrophobicContact CE-CG1 3.88Å; M632-I676 HydrophobicContact SD-CD1 4.46Å; M632-Q681 HydrophobicContact CE-CG 4.39Å; M632-Q681 HydrophobicContact SD-CB 3.7Å; M632-Q681 HydrophobicContact SD-CG 3.81Å
633Y93.7Very high95.1Very high34 Ų3431.1 Ų31.113%0.13315%0.146CC..EExtended strand (participates in β ladder)trans-97.4144.6168.579.8-79.8000109.4P608 W640 M642 H647P608-Y633 WeakPolarHBondContact O-CA 3.45Å; Y633-W640 HydrophobicContact CD1-CB 3.79Å; Y633-W640 WeakPolarHBondContact CD1-O 3.34Å; Y633-W640 HydrophobicContact CD2-CE3 4.07Å; Y633-W640 HydrophobicContact CE1-CB 3.12Å; Y633-W640 HydrophobicContact CE1-CD2 4.16Å; Y633-W640 HydrophobicContact CE1-CE3 4.26Å; Y633-W640 AromaticContact CE1-CG 3.75Å; Y633-W640 HydrophobicContact CE1-CG 3.75Å; Y633-W640 HydrophobicContact CE2-CB 4.4Å; Y633-W640 AromaticContact CE2-CD2 3.92Å; Y633-W640 HydrophobicContact CE2-CD2 3.92Å; Y633-W640 AromaticContact CE2-CE3 3.4Å; Y633-W640 HydrophobicContact CE2-CE3 3.4Å; Y633-W640 HydrophobicContact CE2-CG 4.39Å; Y633-W640 AromaticContact CE2-CZ3 3.86Å; Y633-W640 HydrophobicContact CE2-CZ3 3.86Å; Y633-W640 VanDerWaalsContact CZ-CB 3.48Å; Y633-W640 AromaticContact CZ-CD2 3.5Å; Y633-W640 AromaticContact CZ-CE3 3.5Å; Y633-W640 VanDerWaalsContact CZ-CE3 3.5Å; Y633-W640 AromaticContact CZ-CG 3.54Å; Y633-W640 PolarHBondContact N-O 2.92Å; Y633-W640 PolarHBondContact O-N 3.43Å; Y633-M642 HydrophobicContact CD1-CB 3.96Å; Y633-M642 HydrophobicContact CD1-CE 3.2Å; Y633-M642 HydrophobicContact CD2-CE 4.36Å; Y633-M642 HydrophobicContact CE1-CB 4.43Å; Y633-M642 HydrophobicContact CE1-CE 3.63Å; Y633-M642 HydrophobicContact CG-CE 3.6Å; Y633-H647 AromaticContact CD1-ND1 3.99Å; Y633-H647 HydrophobicContact CE1-CB 4.44Å; Y633-H647 AromaticContact CE1-CE1 3.79Å; Y633-H647 AromaticContact CE1-ND1 2.99Å; Y633-H647 WeakPolarHBondContact CE1-ND1 3.42Å; Y633-H647 AromaticContact CZ-CE1 3.95Å; Y633-H647 AromaticContact CZ-ND1 3.29Å; Y633-H647 VanDerWaalsContact CZ-ND1 3.29Å; Y633-H647 PolarHBondContact OH-ND1 2.91Å
634V93.6Very high95Very high0 Ų035.7 Ų35.70%017%0.171CC..EExtended strand (participates in β ladder)trans-142.8126.5-165.161.70000111.8D607 P608 F610 V655 I676D607-V634 WeakPolarHBondContact CB-O 3.14Å; P608-V634 HydrophobicContact CG-CG1 4.3Å; P608-V634 PolarHBondContact O-N 3.18Å; P608-V634 VanDerWaalsContact O-N 3.11Å; F610-V634 HydrophobicContact CD2-CG1 4.02Å; F610-V634 HydrophobicContact CE2-CG1 3.69Å; V634-V655 HydrophobicContact CB-CG1 4.4Å; V634-V655 HydrophobicContact CB-CG2 4.47Å; V634-V655 HydrophobicContact CG1-CB 4.41Å; V634-V655 HydrophobicContact CG1-CG1 3.78Å; V634-V655 HydrophobicContact CG1-CG2 3.75Å; V634-V655 HydrophobicContact CG2-CB 4.33Å; V634-V655 HydrophobicContact CG2-CG1 3.74Å; V634-V655 HydrophobicContact CG2-CG2 4.07Å; V634-I676 HydrophobicContact CG2-CD1 3.83Å
635D92.3Very high95Very high17 Ų1740.3 Ų40.39%0.09120%0.195CC..  trans-96.1-173.2171.478.621.6000110.2N637 R638 W640 G654 V655D635-N637 PolarHBondContact O-N 2.97Å; D635-N637 WeakPolarHBondContact OD1-CA 3.46Å; D635-N637 PolarHBondContact OD1-N 2.97Å; D635-R638 PolarHBondContact N-O 3.38Å; D635-R638 PolarHBondContact OD1-N 3.42Å; D635-R638 IonicContact OD1-NE 3.84Å; D635-R638 IonicContact OD2-CZ 3.38Å; D635-R638 IonicContact OD2-NE 3.15Å; D635-R638 PolarHBondContact OD2-NE 3.5Å; D635-R638 VanDerWaalsContact OD2-NE 3.15Å; D635-R638 IonicContact OD2-NH2 2.75Å; D635-R638 PolarHBondContact OD2-NH2 3.4Å; D635-W640 HydrophobicContact CB-CZ3 4.32Å; D635-W640 VanDerWaalsContact OD2-CH2 3.3Å; D635-W640 WeakPolarHBondContact OD2-CH2 3.46Å; D635-G654 CarbonylContact O-C 3.59Å; D635-G654 WeakPolarHBondContact O-CA 3.38Å; D635-V655 PolarHBondContact O-N 3.06Å
636N91.4Very high94.9Very high58 Ų5839.5 Ų39.531%0.3120%0.2SC..SBendtrans-61.6-24.1177.8-85.7-22.2000116.1Y602 N604 V655Y602-N636 WeakPolarHBondContact CE1-OD1 3.27Å; N604-N636 PolarHBondContact ND2-ND2 2.77Å; N604-N636 VanDerWaalsContact ND2-ND2 3.12Å; N604-N636 VanDerWaalsContact OD1-CG 3.27Å; N604-N636 PolarHBondContact OD1-ND2 3.43Å; N604-N636 PolarHBondContact OD1-OD1 3Å; N636-V655 PolarHBondContact OD1-O 3.44Å
637N91.6Very high94.8Very high114 Ų11443.2 Ų43.261%0.6122%0.217SC*.SBendtrans-119.5-22.6-169.6-62.2-49.2000112.7D635 G653 G654D635-N637 PolarHBondContact O-N 2.97Å; D635-N637 WeakPolarHBondContact OD1-CA 3.46Å; D635-N637 PolarHBondContact OD1-N 2.97Å; N637-G653 PolarHBondContact O-N 3.14Å; N637-G654 VanDerWaalsContact C-N 3.34Å; N637-G654 PolarHBondContact O-N 3.49Å
638R93.9Very high94.7Very high70 Ų7041.6 Ų41.626%0.26421%0.211SC..EExtended strand (participates in β ladder)trans-150.9153.6-162.6-61.1167.8-64.4-170.510.6112.2D635 W640 R650 T651D635-R638 PolarHBondContact N-O 3.38Å; D635-R638 PolarHBondContact OD1-N 3.42Å; D635-R638 IonicContact OD1-NE 3.84Å; D635-R638 IonicContact OD2-CZ 3.38Å; D635-R638 IonicContact OD2-NE 3.15Å; D635-R638 PolarHBondContact OD2-NE 3.5Å; D635-R638 VanDerWaalsContact OD2-NE 3.15Å; D635-R638 IonicContact OD2-NH2 2.75Å; D635-R638 PolarHBondContact OD2-NH2 3.4Å; R638-W640 HydrophobicContact CB-CE3 4.3Å; R638-W640 HydrophobicContact CB-CH2 3.55Å; R638-W640 HydrophobicContact CB-CZ2 4.07Å; R638-W640 HydrophobicContact CB-CZ3 3.67Å; R638-W640 HydrophobicContact CG-CH2 4.35Å; R638-W640 VanDerWaalsContact NE-CH2 3.28Å; R638-W640 WeakPolarHBondContact O-CZ3 3.48Å; R638-R650 VanDerWaalsContact CD-NE 3.3Å; R638-R650 VanDerWaalsContact NH1-NH1 3.13Å; R638-T651 VanDerWaalsContact CA-O 3.3Å; R638-T651 WeakPolarHBondContact CA-O 3.34Å
639S94.9Very high94.5Very high0 Ų042.9 Ų42.90%022%0.22CC..EExtended strand (participates in β ladder)trans-123.3156.6173.465.30000111.3R650 T651 Q681S639-R650 WeakPolarHBondContact O-CA 3.38Å; S639-T651 PolarHBondContact N-O 2.98Å; S639-T651 PolarHBondContact O-N 3.34Å; S639-Q681 PolarHBondContact OG-OE1 3.01Å
640W95.4Very high94.4Very high31 Ų3149.8 Ų49.812%0.11725%0.246CC..EExtended strand (participates in β ladder)trans-149.2149.2175.9-66.2-101.5000110M632 Y633 D635 R638 R650M632-W640 CarbonylContact C-O 3.57Å; M632-W640 VanDerWaalsContact CA-O 3.26Å; M632-W640 WeakPolarHBondContact CA-O 3.39Å; Y633-W640 HydrophobicContact CD1-CB 3.79Å; Y633-W640 WeakPolarHBondContact CD1-O 3.34Å; Y633-W640 HydrophobicContact CD2-CE3 4.07Å; Y633-W640 HydrophobicContact CE1-CB 3.12Å; Y633-W640 HydrophobicContact CE1-CD2 4.16Å; Y633-W640 HydrophobicContact CE1-CE3 4.26Å; Y633-W640 AromaticContact CE1-CG 3.75Å; Y633-W640 HydrophobicContact CE1-CG 3.75Å; Y633-W640 HydrophobicContact CE2-CB 4.4Å; Y633-W640 AromaticContact CE2-CD2 3.92Å; Y633-W640 HydrophobicContact CE2-CD2 3.92Å; Y633-W640 AromaticContact CE2-CE3 3.4Å; Y633-W640 HydrophobicContact CE2-CE3 3.4Å; Y633-W640 HydrophobicContact CE2-CG 4.39Å; Y633-W640 AromaticContact CE2-CZ3 3.86Å; Y633-W640 HydrophobicContact CE2-CZ3 3.86Å; Y633-W640 VanDerWaalsContact CZ-CB 3.48Å; Y633-W640 AromaticContact CZ-CD2 3.5Å; Y633-W640 AromaticContact CZ-CE3 3.5Å; Y633-W640 VanDerWaalsContact CZ-CE3 3.5Å; Y633-W640 AromaticContact CZ-CG 3.54Å; Y633-W640 PolarHBondContact N-O 2.92Å; Y633-W640 PolarHBondContact O-N 3.43Å; D635-W640 HydrophobicContact CB-CZ3 4.32Å; D635-W640 VanDerWaalsContact OD2-CH2 3.3Å; D635-W640 WeakPolarHBondContact OD2-CH2 3.46Å; R638-W640 HydrophobicContact CB-CE3 4.3Å; R638-W640 HydrophobicContact CB-CH2 3.55Å; R638-W640 HydrophobicContact CB-CZ2 4.07Å; R638-W640 HydrophobicContact CB-CZ3 3.67Å; R638-W640 HydrophobicContact CG-CH2 4.35Å; R638-W640 VanDerWaalsContact NE-CH2 3.28Å; R638-W640 WeakPolarHBondContact O-CZ3 3.48Å; W640-R650 HydrophobicContact CD2-CG 4.47Å; W640-R650 HydrophobicContact CG-CB 4.4Å; W640-R650 HydrophobicContact CZ2-CG 4.09Å
641F96.8Very high94.2Very high0 Ų050 Ų500%025%0.251CS..EExtended strand (participates in β ladder)trans-83.1143.4170.1-52-32.3000110.5A631 M632 H647 T648 N649 F674 Q681 A685 F686A631-F641 CarbonylContact O-C 3.58Å; A631-F641 WeakPolarHBondContact O-CA 3.44Å; M632-F641 HydrophobicContact CB-CD1 4.26Å; M632-F641 HydrophobicContact CG-CD1 4.32Å; M632-F641 HydrophobicContact SD-CE1 4.46Å; F641-H647 WeakPolarHBondContact O-CA 3.24Å; F641-T648 PolarHBondContact N-O 3.48Å; F641-T648 PolarHBondContact O-N 3.41Å; F641-N649 HydrophobicContact CD2-CB 3.56Å; F641-N649 HydrophobicContact CE2-CB 3.65Å; F641-N649 HydrophobicContact CG-CB 4.42Å; F641-F674 HydrophobicContact CD1-CD2 4.09Å; F641-F674 HydrophobicContact CD1-CE2 4.48Å; F641-F674 AromaticContact CE1-CD2 3.87Å; F641-F674 HydrophobicContact CE1-CD2 3.87Å; F641-Q681 WeakPolarHBondContact CZ-O 3.48Å; F641-A685 HydrophobicContact CD1-CB 3.83Å; F641-A685 HydrophobicContact CD2-CB 3.85Å; F641-A685 HydrophobicContact CE1-CB 3.61Å; F641-A685 HydrophobicContact CE2-CB 3.64Å; F641-A685 HydrophobicContact CG-CB 3.95Å; F641-A685 HydrophobicContact CZ-CB 3.49Å; F641-A685 VanDerWaalsContact CZ-CB 3.49Å; F641-F686 HydrophobicContact CB-CE2 4.32Å; F641-F686 HydrophobicContact CB-CZ 3.92Å
642M95.8Very high93.9Very high2 Ų256.2 Ų56.21%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-136.8130.1179.2-163.9-171.4-53.200111.4M622 G624 K625 A631 Y633 S646 H647M622-M642 HydrophobicContact SD-CE 3.72Å; G624-M642 WeakPolarHBondContact O-CG 3.18Å; K625-M642 HydrophobicContact CG-SD 3.87Å; A631-M642 PolarHBondContact N-O 3.12Å; A631-M642 PolarHBondContact O-N 3.2Å; Y633-M642 HydrophobicContact CD1-CB 3.96Å; Y633-M642 HydrophobicContact CD1-CE 3.2Å; Y633-M642 HydrophobicContact CD2-CE 4.36Å; Y633-M642 HydrophobicContact CE1-CB 4.43Å; Y633-M642 HydrophobicContact CE1-CE 3.63Å; Y633-M642 HydrophobicContact CG-CE 3.6Å; M642-S646 WeakPolarHBondContact CA-O 3.43Å; M642-H647 WeakPolarHBondContact CE-CE1 3.36Å
643H96Very high93.3Very high53 Ų5357.6 Ų57.625%0.24530%0.298CS..EExtended strand (participates in β ladder)trans-153.7136.3170.3172.568000109G624 D627 A629 W630 N645 S646 F686G624-H643 CarbonylContact O-C 3.59Å; G624-H643 VanDerWaalsContact O-CA 3.3Å; G624-H643 WeakPolarHBondContact O-CA 3.42Å; D627-H643 PolarHBondContact O-CE1 3.28Å; A629-H643 PolarHBondContact O-ND1 3.07Å; W630-H643 AromaticContact CD1-CG 3.88Å; W630-H643 AromaticContact CD1-ND1 3.68Å; W630-H643 AromaticContact CD2-ND1 3.89Å; W630-H643 AromaticContact CE2-CE1 3.44Å; W630-H643 VanDerWaalsContact CE2-CE1 3.44Å; W630-H643 AromaticContact CE2-ND1 3.59Å; W630-H643 AromaticContact CG-ND1 3.97Å; W630-H643 AromaticContact CZ2-CE1 3.52Å; W630-H643 AromaticContact NE1-CE1 3.5Å; W630-H643 AromaticContact NE1-CG 3.83Å; W630-H643 AromaticContact NE1-ND1 3.46Å; W630-H643 PolarHBondContact NE1-ND1 2.84Å; W630-H643 AromaticContact NE1-NE2 3.9Å; H643-N645 PolarHBondContact O-N 2.89Å; H643-S646 PolarHBondContact N-O 2.9Å; H643-S646 WeakPolarHBondContact O-CB 3.36Å; H643-S646 PolarHBondContact O-N 3.3Å; H643-F686 HydrophobicContact CB-CE1 3.65Å; H643-F686 HydrophobicContact CB-CZ 4.05Å
644N95.9Very high93.1Very high98 Ų9856.8 Ų56.852%0.52430%0.3SS..THydrogen-bonded Turntrans50.943-178.7-166.119.1000113.4G624 D626 D627 S646G624-N644 PolarHBondContact O-N 3.25Å; D626-N644 VanDerWaalsContact O-CA 3.25Å; D626-N644 WeakPolarHBondContact O-CA 3.44Å; D626-N644 PolarHBondContact O-N 3.04Å; D627-N644 HydrophobicContact CB-CB 4.31Å; N644-S646 PolarHBondContact O-N 2.92Å
645N94Very high93.1Very high97 Ų9756.8 Ų56.852%0.51930%0.3SS..THydrogen-bonded Turntrans58.817.1-178.4-162.258.4000114.1G624 K625 H643G624-N645 PolarHBondContact O-N 3.48Å; K625-N645 WeakPolarHBondContact O-CB 3.48Å; K625-N645 PolarHBondContact O-N 3.48Å; H643-N645 PolarHBondContact O-N 2.89Å
646S94.1Very high93.1Very high70 Ų7058.5 Ų58.549%0.4932%0.317SS..EExtended strand (participates in β ladder)trans-103.1135.6174.2-173.20000109.6M642 H643 N644M642-S646 WeakPolarHBondContact CA-O 3.43Å; H643-S646 PolarHBondContact N-O 2.9Å; H643-S646 WeakPolarHBondContact O-CB 3.36Å; H643-S646 PolarHBondContact O-N 3.3Å; N644-S646 PolarHBondContact O-N 2.92Å
647H92.7Very high93.3Very high89 Ų8963.7 Ų63.741%0.41234%0.337SS..EExtended strand (participates in β ladder)trans-113.4129.5-176.1-54.6-111.9000110Y633 F641 M642Y633-H647 AromaticContact CD1-ND1 3.99Å; Y633-H647 HydrophobicContact CE1-CB 4.44Å; Y633-H647 AromaticContact CE1-CE1 3.79Å; Y633-H647 AromaticContact CE1-ND1 2.99Å; Y633-H647 WeakPolarHBondContact CE1-ND1 3.42Å; Y633-H647 AromaticContact CZ-CE1 3.95Å; Y633-H647 AromaticContact CZ-ND1 3.29Å; Y633-H647 VanDerWaalsContact CZ-ND1 3.29Å; Y633-H647 PolarHBondContact OH-ND1 2.91Å; F641-H647 WeakPolarHBondContact O-CA 3.24Å; M642-H647 WeakPolarHBondContact CE-CE1 3.36Å
648T92.8Very high93.4Very high61 Ų6160.7 Ų60.737%0.37433%0.333SS..EExtended strand (participates in β ladder)trans-135.6167.3-179.561.20000111.7F641 R650F641-T648 PolarHBondContact N-O 3.48Å; F641-T648 PolarHBondContact O-N 3.41Å; T648-R650 PolarHBondContact O-N 3.07Å
649N91.4Very high93.5Very high80 Ų8057.9 Ų57.943%0.42832%0.323SS..EExtended strand (participates in β ladder)trans49.860.1167.3-63.381.4000115.2F641 T651 P683F641-N649 HydrophobicContact CD2-CB 3.56Å; F641-N649 HydrophobicContact CE2-CB 3.65Å; F641-N649 HydrophobicContact CG-CB 4.42Å; N649-T651 PolarHBondContact O-N 3.48Å; N649-T651 PolarHBondContact O-OG1 2.8Å; N649-P683 WeakPolarHBondContact ND2-CG 3.48Å
650R93.7Very high93.6Very high144 Ų14459.3 Ų59.354%0.54333%0.332SS..EExtended strand (participates in β ladder)trans-58.5124.3170.7-179.1173162.4160.3-11.1110.6R638 S639 W640 T648R638-R650 VanDerWaalsContact CD-NE 3.3Å; R638-R650 VanDerWaalsContact NH1-NH1 3.13Å; S639-R650 WeakPolarHBondContact O-CA 3.38Å; W640-R650 HydrophobicContact CD2-CG 4.47Å; W640-R650 HydrophobicContact CG-CB 4.4Å; W640-R650 HydrophobicContact CZ2-CG 4.09Å; T648-R650 PolarHBondContact O-N 3.07Å
651T93.6Very high93.6Very high33 Ų3357.9 Ų57.920%0.20233%0.327CS..EExtended strand (participates in β ladder)trans-125.5141.7178.7-52.10000109.6R638 S639 N649 G682R638-T651 VanDerWaalsContact CA-O 3.3Å; R638-T651 WeakPolarHBondContact CA-O 3.34Å; S639-T651 PolarHBondContact N-O 2.98Å; S639-T651 PolarHBondContact O-N 3.34Å; N649-T651 PolarHBondContact O-N 3.48Å; N649-T651 PolarHBondContact O-OG1 2.8Å; T651-G682 WeakPolarHBondContact OG1-CA 3.44Å; T651-G682 PolarHBondContact OG1-N 3.34Å
652D90.7Very high93.6Very high130 Ų13058 Ų5870%0.69533%0.328SS*.EExtended strand (participates in β ladder)trans-77.8136.2173.4-65.9-36000109.2
653G85.8Confident93.6Very high28 Ų2857.9 Ų57.929%0.28933%0.327SS..  trans126.295.9-169.500000110.8N637 I676 Q681N637-G653 PolarHBondContact O-N 3.14Å; G653-I676 WeakPolarHBondContact O-CD1 3.41Å; G653-Q681 PolarHBondContact O-OE1 3.37Å
654G89.1Confident93.5Very high17 Ų1755.3 Ų55.318%0.17532%0.316CS..  trans-105.5-172.5178.700000113.4D635 N637D635-G654 CarbonylContact O-C 3.59Å; D635-G654 WeakPolarHBondContact O-CA 3.38Å; N637-G654 VanDerWaalsContact C-N 3.34Å; N637-G654 PolarHBondContact O-N 3.49Å
655V93.5Very high93.4Very high1 Ų150.7 Ų50.71%0.00629%0.291CS..  trans-109.3148.3179.8-66.60000112.4V599 Y602 V634 D635 N636 I661 I676V599-V655 HydrophobicContact CG2-CB 4.4Å; Y602-V655 HydrophobicContact CD1-CG2 3.93Å; Y602-V655 HydrophobicContact CE1-CG2 3.81Å; V634-V655 HydrophobicContact CB-CG1 4.4Å; V634-V655 HydrophobicContact CB-CG2 4.47Å; V634-V655 HydrophobicContact CG1-CB 4.41Å; V634-V655 HydrophobicContact CG1-CG1 3.78Å; V634-V655 HydrophobicContact CG1-CG2 3.75Å; V634-V655 HydrophobicContact CG2-CB 4.33Å; V634-V655 HydrophobicContact CG2-CG1 3.74Å; V634-V655 HydrophobicContact CG2-CG2 4.07Å; D635-V655 PolarHBondContact O-N 3.06Å; N636-V655 PolarHBondContact OD1-O 3.44Å; V655-I661 HydrophobicContact CG1-CD1 4.01Å; V655-I661 HydrophobicContact CG1-CG1 4.25Å; V655-I676 HydrophobicContact CG1-CD1 4.3Å; V655-I676 HydrophobicContact CG1-CG2 4.5Å
656A92.8Very high93.2Very high53 Ų5346 Ų4644%0.43827%0.266SS..  trans-135.6174.716800000109.1G658 S659A656-G658 PolarHBondContact O-N 3.36Å; A656-G658 VanDerWaalsContact O-N 3.16Å; A656-S659 PolarHBondContact N-OG 2.87Å; A656-S659 VanDerWaalsContact O-CB 3.28Å; A656-S659 WeakPolarHBondContact O-CB 3.45Å; A656-S659 PolarHBondContact O-N 2.85Å; A656-S659 PolarHBondContact O-OG 3.15Å
657K93.9Very high92.8Very high167 Ų16744.1 Ų44.173%0.72625%0.249SC*.THydrogen-bonded Turntrans-55.6124.1171.5176.8173.5179.8179.80110.2D600D600-K657 WeakPolarHBondContact O-CD 3.41Å; D600-K657 VanDerWaalsContact O-CE 3.23Å; D600-K657 WeakPolarHBondContact O-CE 3.44Å; D600-K657 WeakPolarHBondContact O-CG 3.44Å
658G94Very high92.4Very high51 Ų5143.1 Ų43.153%0.52625%0.249SC..THydrogen-bonded Turntrans94.1-4-177.100000114.8V599 A656V599-G658 PolarHBondContact O-N 3.36Å; A656-G658 PolarHBondContact O-N 3.36Å; A656-G658 VanDerWaalsContact O-N 3.16Å
659S96.2Very high92Very high10 Ų1046 Ų467%0.0725%0.253CS..  trans-65.4144.8172.2-68.90000111.6T598 V599 A656 N677T598-S659 WeakPolarHBondContact CA-O 3.38Å; V599-S659 PolarHBondContact N-O 3.45Å; A656-S659 PolarHBondContact N-OG 2.87Å; A656-S659 VanDerWaalsContact O-CB 3.28Å; A656-S659 WeakPolarHBondContact O-CB 3.45Å; A656-S659 PolarHBondContact O-N 2.85Å; A656-S659 PolarHBondContact O-OG 3.15Å; S659-N677 WeakPolarHBondContact CA-OD1 3.41Å
660T96.4Very high91.9Very high31 Ų3142.6 Ų42.619%0.1924%0.237CC..EExtended strand (participates in β ladder)trans-110.6129.9175.3-61.60000110.3E596 I676 N677E596-T660 HydrophobicContact CB-CG2 3.86Å; E596-T660 HydrophobicContact CG-CG2 3.95Å; E596-T660 VanDerWaalsContact OE2-CG2 3.32Å; E596-T660 WeakPolarHBondContact OE2-CG2 3.4Å; T660-I676 CarbonylContact O-C 3.6Å; T660-I676 WeakPolarHBondContact O-CA 3.37Å; T660-N677 PolarHBondContact N-OD1 3.49Å; T660-N677 PolarHBondContact O-N 3.32Å
661I96.9Very high91.9Very high0 Ų036.5 Ų36.50%022%0.215CC..EExtended strand (participates in β ladder)trans-107.1115.4176-61.182.5000108.4E596 M597 V599 F610 M632 V655 V663 L675E596-I661 CarbonylContact C-O 3.59Å; E596-I661 VanDerWaalsContact CA-O 3.24Å; E596-I661 WeakPolarHBondContact CA-O 3.16Å; M597-I661 HydrophobicContact CE-CG2 4.34Å; M597-I661 PolarHBondContact N-O 2.77Å; M597-I661 WeakPolarHBondContact O-CD1 3.33Å; M597-I661 PolarHBondContact O-N 2.92Å; V599-I661 HydrophobicContact CG2-CD1 3.37Å; F610-I661 HydrophobicContact CB-CG2 3.97Å; F610-I661 HydrophobicContact CD1-CB 4.36Å; F610-I661 HydrophobicContact CD1-CG1 4.42Å; F610-I661 HydrophobicContact CD1-CG2 4.31Å; F610-I661 HydrophobicContact CD2-CG1 4.06Å; F610-I661 HydrophobicContact CD2-CG2 4.29Å; F610-I661 HydrophobicContact CE1-CD1 4.04Å; F610-I661 HydrophobicContact CE1-CG1 4.31Å; F610-I661 HydrophobicContact CE2-CD1 3.98Å; F610-I661 HydrophobicContact CE2-CG1 3.94Å; F610-I661 HydrophobicContact CG-CB 4.38Å; F610-I661 HydrophobicContact CG-CG1 4.3Å; F610-I661 HydrophobicContact CG-CG2 3.95Å; F610-I661 HydrophobicContact CZ-CD1 3.7Å; F610-I661 HydrophobicContact CZ-CG1 4.08Å; M632-I661 HydrophobicContact CE-CG2 4.07Å; V655-I661 HydrophobicContact CG1-CD1 4.01Å; V655-I661 HydrophobicContact CG1-CG1 4.25Å; I661-V663 HydrophobicContact CG2-CG2 4.47Å; I661-L675 CarbonylContact C-O 3.51Å; I661-L675 VanDerWaalsContact CA-O 3.28Å; I661-L675 WeakPolarHBondContact CA-O 3.46Å
662G95.9Very high92.1Very high2 Ų235 Ų352%0.02121%0.205CC..EExtended strand (participates in β ladder)trans-93.7139.6172.600000111.5F674 L675G662-F674 WeakPolarHBondContact O-CA 3.3Å; G662-L675 PolarHBondContact N-O 2.71Å; G662-L675 PolarHBondContact O-N 3.44Å
663V96.3Very high92.3Very high0 Ų029 Ų290%017%0.173CC..EExtended strand (participates in β ladder)trans-126.1120.4174.4-173.40000109Y594 W595 M597 I661 L672 F674Y594-V663 WeakPolarHBondContact CA-O 3.31Å; Y594-V663 VanDerWaalsContact CD2-O 3.27Å; Y594-V663 WeakPolarHBondContact CD2-O 3.42Å; W595-V663 HydrophobicContact CD2-CB 4.1Å; W595-V663 HydrophobicContact CH2-CB 4.25Å; W595-V663 HydrophobicContact CH2-CG1 3.7Å; W595-V663 HydrophobicContact CZ2-CB 3.64Å; W595-V663 HydrophobicContact CZ2-CG1 3.36Å; W595-V663 HydrophobicContact CZ2-CG2 4.29Å; W595-V663 HydrophobicContact CZ3-CG1 4.45Å; W595-V663 PolarHBondContact N-O 3.05Å; W595-V663 VanDerWaalsContact N-O 3.16Å; W595-V663 PolarHBondContact O-N 3.33Å; M597-V663 HydrophobicContact CE-CG2 3.43Å; M597-V663 VanDerWaalsContact CE-CG2 3.43Å; I661-V663 HydrophobicContact CG2-CG2 4.47Å; V663-L672 HydrophobicContact CG1-CD1 3.59Å; V663-F674 HydrophobicContact CG1-CD1 4.32Å; V663-F674 HydrophobicContact CG1-CE1 3.95Å; V663-F674 HydrophobicContact CG2-CD1 3.94Å; V663-F674 HydrophobicContact CG2-CE1 3.95Å
664L94.2Very high92.8Very high0 Ų027.7 Ų27.70%016%0.16CC..EExtended strand (participates in β ladder)trans-114.4120.5178-171.9153.4000109.9V592 H593 Y594 D666 L672 I673 I713 Y717V592-L664 HydrophobicContact CG1-CD2 4.4Å; H593-L664 WeakPolarHBondContact O-CA 3.41Å; Y594-L664 HydrophobicContact CD2-CB 3.91Å; Y594-L664 HydrophobicContact CD2-CD1 4.46Å; Y594-L664 HydrophobicContact CD2-CG 4.45Å; L664-D666 HydrophobicContact CD2-CB 4.21Å; L664-L672 WeakPolarHBondContact O-CA 3.37Å; L664-L672 WeakPolarHBondContact O-CD1 3.5Å; L664-I673 HydrophobicContact CB-CB 4.27Å; L664-I673 HydrophobicContact CD2-CD1 4.37Å; L664-I673 PolarHBondContact N-O 3.08Å; L664-I673 PolarHBondContact O-N 3.44Å; L664-I713 HydrophobicContact CD1-CG2 4.4Å; L664-Y717 HydrophobicContact CD1-CD1 3.63Å; L664-Y717 HydrophobicContact CD1-CD2 4Å; L664-Y717 HydrophobicContact CD1-CE1 4.19Å; L664-Y717 HydrophobicContact CD1-CG 3.52Å; L664-Y717 HydrophobicContact CD2-CD1 4.12Å; L664-Y717 HydrophobicContact CD2-CD2 4.34Å; L664-Y717 HydrophobicContact CD2-CE1 3.8Å; L664-Y717 HydrophobicContact CD2-CE2 4.05Å; L664-Y717 HydrophobicContact CD2-CG 4.38Å; L664-Y717 HydrophobicContact CG-CD1 4.47Å
665L92.8Very high93.1Very high0 Ų027 Ų270%015%0.152CC..EExtended strand (participates in β ladder)trans-118114179.8178.159.8000109.9V592 H593 W595 I612 F667 L672 L689V592-L665 WeakPolarHBondContact CA-O 3.46Å; H593-L665 PolarHBondContact N-O 3.02Å; H593-L665 PolarHBondContact O-N 3.44Å; W595-L665 HydrophobicContact CH2-CB 4.28Å; W595-L665 HydrophobicContact CH2-CD2 4.47Å; W595-L665 HydrophobicContact CZ3-CB 4.17Å; I612-L665 HydrophobicContact CD1-CD1 3.96Å; I612-L665 HydrophobicContact CD1-CD2 4.38Å; I612-L665 HydrophobicContact CG2-CD2 4.31Å; L665-F667 HydrophobicContact CD1-CE2 4.36Å; L665-F667 HydrophobicContact CD1-CZ 4.34Å; L665-F667 HydrophobicContact CD2-CD2 4.34Å; L665-F667 HydrophobicContact CD2-CE2 3.36Å; L665-F667 HydrophobicContact CD2-CZ 3.5Å; L665-F667 HydrophobicContact CG-CD2 4.11Å; L665-F667 HydrophobicContact CG-CE2 3.61Å; L665-F667 HydrophobicContact CG-CZ 3.98Å; L665-L672 HydrophobicContact CB-CD1 4.24Å; L665-L672 HydrophobicContact CD1-CD1 4.27Å; L665-L689 HydrophobicContact CD1-CD1 3.83Å
666D90Very high93.2Very high0 Ų027.2 Ų27.20%015%0.153CC..EExtended strand (participates in β ladder)trans-113.7103.8179.5-177.5-22.2000109.6V592 L664 T668 R669 G670 I671 Y717V592-D666 HydrophobicContact CG1-CB 4.1Å; V592-D666 HydrophobicContact CG2-CB 4.1Å; V592-D666 VanDerWaalsContact CG2-CG 3.49Å; L664-D666 HydrophobicContact CD2-CB 4.21Å; D666-T668 VanDerWaalsContact C-N 3.31Å; D666-T668 WeakPolarHBondContact OD1-CA 3.36Å; D666-T668 WeakPolarHBondContact OD1-CB 3.34Å; D666-T668 PolarHBondContact OD1-N 2.94Å; D666-R669 PolarHBondContact OD1-N 2.77Å; D666-G670 CarbonylContact O-C 3.59Å; D666-G670 VanDerWaalsContact O-CA 3.25Å; D666-G670 WeakPolarHBondContact O-CA 3.14Å; D666-G670 PolarHBondContact O-N 3.49Å; D666-I671 HydrophobicContact CB-CG1 3.9Å; D666-I671 PolarHBondContact N-O 3.44Å; D666-I671 PolarHBondContact O-N 3.25Å; D666-Y717 PolarHBondContact OD2-OH 3.03Å
667F85.6Confident93.2Very high30 Ų3028.7 Ų28.713%0.13215%0.154CC..THydrogen-bonded Turntrans-74.9-19.3176.5-73.4-81.9000113.6F588 S589 G591 L665 R669 G691 Y693F588-F667 HydrophobicContact CB-CE2 3.57Å; F588-F667 HydrophobicContact CB-CZ 4.07Å; F588-F667 WeakPolarHBondContact O-CZ 3.37Å; S589-F667 VanDerWaalsContact C-CD1 3.49Å; S589-F667 VanDerWaalsContact CA-CZ 3.45Å; S589-F667 WeakPolarHBondContact O-CD1 3.42Å; G591-F667 WeakPolarHBondContact O-CB 3.23Å; G591-F667 WeakPolarHBondContact O-CD2 3.3Å; G591-F667 PolarHBondContact O-N 2.96Å; L665-F667 HydrophobicContact CD1-CE2 4.36Å; L665-F667 HydrophobicContact CD1-CZ 4.34Å; L665-F667 HydrophobicContact CD2-CD2 4.34Å; L665-F667 HydrophobicContact CD2-CE2 3.36Å; L665-F667 HydrophobicContact CD2-CZ 3.5Å; L665-F667 HydrophobicContact CG-CD2 4.11Å; L665-F667 HydrophobicContact CG-CE2 3.61Å; L665-F667 HydrophobicContact CG-CZ 3.98Å; F667-R669 VanDerWaalsContact C-N 3.33Å; F667-G691 VanDerWaalsContact CE1-O 3.32Å; F667-G691 WeakPolarHBondContact CE1-O 3.4Å; F667-Y693 AromaticContact CE1-CD2 3.59Å; F667-Y693 HydrophobicContact CE1-CD2 3.59Å; F667-Y693 AromaticContact CE1-CE2 3.99Å; F667-Y693 HydrophobicContact CE1-CE2 3.99Å; F667-Y693 AromaticContact CZ-CD2 3.74Å; F667-Y693 HydrophobicContact CZ-CD2 3.74Å
668T84.2Confident93Very high67 Ų6726.3 Ų26.341%0.41115%0.149SC..THydrogen-bonded Turntrans-69.1-38.4176.9-50.80000110D666 A722D666-T668 VanDerWaalsContact C-N 3.31Å; D666-T668 WeakPolarHBondContact OD1-CA 3.36Å; D666-T668 WeakPolarHBondContact OD1-CB 3.34Å; D666-T668 PolarHBondContact OD1-N 2.94Å; T668-A722 HydrophobicContact CG2-CB 3.91Å
669R84.9Confident92.9Very high123 Ų12330.7 Ų30.746%0.46416%0.155SC..THydrogen-bonded Turntrans-97.1-12.5174.5-64.8-177179.5167.95.9113.5D666 F667 I671 T718 G720D666-R669 PolarHBondContact OD1-N 2.77Å; F667-R669 VanDerWaalsContact C-N 3.33Å; R669-I671 HydrophobicContact CB-CD1 4.21Å; R669-I671 HydrophobicContact CB-CG1 4.03Å; R669-I671 HydrophobicContact CB-CG2 4.15Å; R669-T718 PolarHBondContact NH2-O 2.82Å; R669-G720 VanDerWaalsContact NE-CA 3.27Å
670G90.2Very high92.8Very high8 Ų834.1 Ų34.18%0.08217%0.17CC..THydrogen-bonded Turntrans68.134.9-17600000113.4D666 E687 S688 L689D666-G670 CarbonylContact O-C 3.59Å; D666-G670 VanDerWaalsContact O-CA 3.25Å; D666-G670 WeakPolarHBondContact O-CA 3.14Å; D666-G670 PolarHBondContact O-N 3.49Å; G670-E687 CarbonylContact O-C 3.6Å; G670-E687 VanDerWaalsContact O-C 3.25Å; G670-E687 VanDerWaalsContact O-CA 3.32Å; G670-E687 WeakPolarHBondContact O-CA 3.36Å; G670-S688 PolarHBondContact O-N 3.34Å; G670-L689 PolarHBondContact O-N 3.44Å
671I93.9Very high92.6Very high16 Ų1633 Ų338%0.08216%0.163CC..EExtended strand (participates in β ladder)trans-120152-172.268.4174.8000114D666 R669 I673 V684 F686 E687 Y717D666-I671 HydrophobicContact CB-CG1 3.9Å; D666-I671 PolarHBondContact N-O 3.44Å; D666-I671 PolarHBondContact O-N 3.25Å; R669-I671 HydrophobicContact CB-CD1 4.21Å; R669-I671 HydrophobicContact CB-CG1 4.03Å; R669-I671 HydrophobicContact CB-CG2 4.15Å; I671-I673 HydrophobicContact CD1-CD1 4.13Å; I671-V684 HydrophobicContact CB-CG1 3.71Å; I671-V684 HydrophobicContact CD1-CG2 4.38Å; I671-V684 HydrophobicContact CG2-CG1 3.9Å; I671-F686 CarbonylContact C-O 3.53Å; I671-F686 VanDerWaalsContact CA-O 3.28Å; I671-F686 WeakPolarHBondContact CA-O 3.26Å; I671-E687 HydrophobicContact CG2-CG 4.17Å; I671-Y717 HydrophobicContact CD1-CE2 4.39Å; I671-Y717 WeakPolarHBondContact CD1-OH 3.36Å
672L95.9Very high92.2Very high0 Ų034 Ų340%017%0.174CC..EExtended strand (participates in β ladder)trans-122.8132.4172.6-176.463.8000110.7I612 W630 V663 L664 L665 F674 A685 F686 L689I612-L672 HydrophobicContact CD1-CD1 4.37Å; I612-L672 HydrophobicContact CD1-CD2 3.82Å; I612-L672 HydrophobicContact CG1-CD2 3.81Å; I612-L672 HydrophobicContact CG2-CD1 4.17Å; I612-L672 HydrophobicContact CG2-CD2 4.48Å; W630-L672 HydrophobicContact CB-CD2 4.09Å; V663-L672 HydrophobicContact CG1-CD1 3.59Å; L664-L672 WeakPolarHBondContact O-CA 3.37Å; L664-L672 WeakPolarHBondContact O-CD1 3.5Å; L665-L672 HydrophobicContact CB-CD1 4.24Å; L665-L672 HydrophobicContact CD1-CD1 4.27Å; L672-F674 HydrophobicContact CD1-CZ 4.47Å; L672-F674 HydrophobicContact CD2-CE1 4.39Å; L672-F674 HydrophobicContact CD2-CE2 3.8Å; L672-F674 HydrophobicContact CD2-CZ 3.48Å; L672-F674 VanDerWaalsContact CD2-CZ 3.48Å; L672-F674 HydrophobicContact CG-CE2 3.98Å; L672-F674 HydrophobicContact CG-CZ 3.89Å; L672-A685 WeakPolarHBondContact O-CB 3.35Å; L672-A685 PolarHBondContact O-N 2.86Å; L672-F686 HydrophobicContact CB-CB 4.33Å; L672-F686 HydrophobicContact CB-CD2 4.38Å; L672-F686 HydrophobicContact CD2-CD2 3.8Å; L672-F686 HydrophobicContact CD2-CE2 4.37Å; L672-F686 HydrophobicContact CG-CD2 4.47Å; L672-F686 PolarHBondContact N-O 3.31Å; L672-L689 HydrophobicContact CB-CD1 3.56Å
673I95.4Very high92Very high5 Ų537.3 Ų37.33%0.02620%0.195CC..EExtended strand (participates in β ladder)trans-127.9139.6179.4-55.7176.6000109.3L664 I671 L675 Q680 V684 Y717L664-I673 HydrophobicContact CB-CB 4.27Å; L664-I673 HydrophobicContact CD2-CD1 4.37Å; L664-I673 PolarHBondContact N-O 3.08Å; L664-I673 PolarHBondContact O-N 3.44Å; I671-I673 HydrophobicContact CD1-CD1 4.13Å; I673-L675 HydrophobicContact CG2-CD1 4.37Å; I673-Q680 HydrophobicContact CG2-CG 3.73Å; I673-V684 HydrophobicContact CG1-CG2 4.48Å; I673-Y717 HydrophobicContact CD1-CD2 4.1Å; I673-Y717 HydrophobicContact CD1-CE2 3.73Å
674F96.6Very high91.7Very high1 Ų139.6 Ų39.60%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-114.3141.5175.3-64.7-73.8000111.3F610 M632 F641 G662 V663 L672 Q681 A685 F686F610-F674 VanDerWaalsContact O-CE1 3.31Å; F610-F674 WeakPolarHBondContact O-CE1 3.47Å; M632-F674 HydrophobicContact CB-CB 4.34Å; M632-F674 HydrophobicContact CB-CD1 4.01Å; M632-F674 HydrophobicContact CB-CD2 3.7Å; M632-F674 HydrophobicContact CB-CE1 4.23Å; M632-F674 HydrophobicContact CB-CE2 3.92Å; M632-F674 HydrophobicContact CB-CG 3.74Å; M632-F674 HydrophobicContact CB-CZ 4.18Å; M632-F674 HydrophobicContact CE-CB 3.74Å; M632-F674 HydrophobicContact CE-CD1 4.33Å; M632-F674 HydrophobicContact CE-CG 4.18Å; M632-F674 HydrophobicContact SD-CB 3.56Å; M632-F674 VanDerWaalsContact SD-CB 3.56Å; M632-F674 HydrophobicContact SD-CD2 4.48Å; M632-F674 HydrophobicContact SD-CG 4.04Å; F641-F674 HydrophobicContact CD1-CD2 4.09Å; F641-F674 HydrophobicContact CD1-CE2 4.48Å; F641-F674 AromaticContact CE1-CD2 3.87Å; F641-F674 HydrophobicContact CE1-CD2 3.87Å; G662-F674 WeakPolarHBondContact O-CA 3.3Å; V663-F674 HydrophobicContact CG1-CD1 4.32Å; V663-F674 HydrophobicContact CG1-CE1 3.95Å; V663-F674 HydrophobicContact CG2-CD1 3.94Å; V663-F674 HydrophobicContact CG2-CE1 3.95Å; L672-F674 HydrophobicContact CD1-CZ 4.47Å; L672-F674 HydrophobicContact CD2-CE1 4.39Å; L672-F674 HydrophobicContact CD2-CE2 3.8Å; L672-F674 HydrophobicContact CD2-CZ 3.48Å; L672-F674 VanDerWaalsContact CD2-CZ 3.48Å; L672-F674 HydrophobicContact CG-CE2 3.98Å; L672-F674 HydrophobicContact CG-CZ 3.89Å; F674-Q681 PolarHBondContact O-N 3.12Å; F674-A685 HydrophobicContact CD2-CB 3.58Å; F674-A685 HydrophobicContact CE2-CB 3.73Å; F674-F686 HydrophobicContact CE2-CD2 4.35Å; F674-F686 HydrophobicContact CE2-CE2 4.05Å
675L95.1Very high91.5Very high1 Ų140.1 Ų40.11%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-125.6144.8175.8-62.5104.7000110.3Y594 I661 G662 I673 E679 F716Y594-L675 HydrophobicContact CE2-CD1 4.04Å; I661-L675 CarbonylContact C-O 3.51Å; I661-L675 VanDerWaalsContact CA-O 3.28Å; I661-L675 WeakPolarHBondContact CA-O 3.46Å; G662-L675 PolarHBondContact N-O 2.71Å; G662-L675 PolarHBondContact O-N 3.44Å; I673-L675 HydrophobicContact CG2-CD1 4.37Å; L675-E679 CarbonylContact C-O 3.55Å; L675-E679 WeakPolarHBondContact CA-O 3.44Å; L675-F716 HydrophobicContact CD1-CZ 3.94Å; L675-F716 HydrophobicContact CD2-CE1 3.48Å; L675-F716 VanDerWaalsContact CD2-CE1 3.48Å; L675-F716 HydrophobicContact CD2-CE2 4.2Å; L675-F716 HydrophobicContact CD2-CZ 3.28Å; L675-F716 HydrophobicContact CG-CZ 4.19Å
676I95.8Very high91.6Very high6 Ų641.5 Ų41.53%0.03122%0.219CC..EExtended strand (participates in β ladder)trans-123.3119.9166.5-63.8174000106.7M632 V634 G653 V655 T660 D678 E679 Q681M632-I676 HydrophobicContact CE-CD1 3.96Å; M632-I676 HydrophobicContact CE-CG1 3.88Å; M632-I676 HydrophobicContact SD-CD1 4.46Å; V634-I676 HydrophobicContact CG2-CD1 3.83Å; G653-I676 WeakPolarHBondContact O-CD1 3.41Å; V655-I676 HydrophobicContact CG1-CD1 4.3Å; V655-I676 HydrophobicContact CG1-CG2 4.5Å; T660-I676 CarbonylContact O-C 3.6Å; T660-I676 WeakPolarHBondContact O-CA 3.37Å; I676-D678 VanDerWaalsContact C-N 3.33Å; I676-D678 PolarHBondContact O-N 3.48Å; I676-E679 PolarHBondContact N-O 2.93Å; I676-E679 PolarHBondContact O-N 3.07Å; I676-Q681 HydrophobicContact CB-CG 4.09Å; I676-Q681 HydrophobicContact CD1-CG 3.65Å; I676-Q681 HydrophobicContact CG1-CG 3.62Å
677N93.6Very high91.7Very high85 Ų8548 Ų4846%0.45525%0.249SC..THydrogen-bonded Turntrans49.651.1-177.2-55.2-32.5000112.5S659 T660 E679S659-N677 WeakPolarHBondContact CA-OD1 3.41Å; T660-N677 PolarHBondContact N-OD1 3.49Å; T660-N677 PolarHBondContact O-N 3.32Å; N677-E679 PolarHBondContact O-N 3.33Å
678D89.9Confident91.8Very high116 Ų11651.6 Ų51.662%0.6228%0.278SS*.THydrogen-bonded Turntrans64.62.6-177.8-51.4-42.2000116I676I676-D678 VanDerWaalsContact C-N 3.33Å; I676-D678 PolarHBondContact O-N 3.48Å
679E91.3Very high92Very high143 Ų14348.7 Ų48.767%0.66826%0.26SS*.EExtended strand (participates in β ladder)trans-98.6121.4174.1-64.8-170.3168.200111L675 I676 N677 Q681L675-E679 CarbonylContact C-O 3.55Å; L675-E679 WeakPolarHBondContact CA-O 3.44Å; I676-E679 PolarHBondContact N-O 2.93Å; I676-E679 PolarHBondContact O-N 3.07Å; N677-E679 PolarHBondContact O-N 3.33Å; E679-Q681 PolarHBondContact O-N 3.35Å; E679-Q681 PolarHBondContact O-NE2 3.11Å
680Q93.1Very high92Very high83 Ų8350.1 Ų50.139%0.38827%0.272SS..EExtended strand (participates in β ladder)trans-60.5127.7176.4-177.3178.8-40.600110.8I673 G682I673-Q680 HydrophobicContact CG2-CG 3.73Å; Q680-G682 PolarHBondContact NE2-O 3.43Å
681Q93.2Very high91.7Very high6 Ų651.6 Ų51.63%0.02829%0.288CS..  trans-88.1115.2175.4-62.8-57.8-58.700109.3M632 S639 F641 G653 F674 I676 E679M632-Q681 HydrophobicContact CE-CG 4.39Å; M632-Q681 HydrophobicContact SD-CB 3.7Å; M632-Q681 HydrophobicContact SD-CG 3.81Å; S639-Q681 PolarHBondContact OG-OE1 3.01Å; F641-Q681 WeakPolarHBondContact CZ-O 3.48Å; G653-Q681 PolarHBondContact O-OE1 3.37Å; F674-Q681 PolarHBondContact O-N 3.12Å; I676-Q681 HydrophobicContact CB-CG 4.09Å; I676-Q681 HydrophobicContact CD1-CG 3.65Å; I676-Q681 HydrophobicContact CG1-CG 3.62Å; E679-Q681 PolarHBondContact O-N 3.35Å; E679-Q681 PolarHBondContact O-NE2 3.11Å
682G89.3Confident91.5Very high22 Ų2253.4 Ų53.423%0.22731%0.305CS..SBendtrans65.6-168.5177.600000114.5T651 Q680T651-G682 WeakPolarHBondContact OG1-CA 3.44Å; T651-G682 PolarHBondContact OG1-N 3.34Å; Q680-G682 PolarHBondContact NE2-O 3.43Å
683P90.7Very high91.4Very high72 Ų7253.6 Ų53.647%0.46831%0.305SS..SBendtrans-71.2-170.6169.833.5-35.6000110.9N649 A685N649-P683 WeakPolarHBondContact ND2-CG 3.48Å; P683-A685 PolarHBondContact O-N 3Å
684V89.9Confident91.4Very high48 Ų4856.9 Ų56.929%0.29132%0.318SS..  trans-50.6126.1166.5173.90000109I671 I673 F686 E687I671-V684 HydrophobicContact CB-CG1 3.71Å; I671-V684 HydrophobicContact CD1-CG2 4.38Å; I671-V684 HydrophobicContact CG2-CG1 3.9Å; I673-V684 HydrophobicContact CG1-CG2 4.48Å; V684-F686 WeakPolarHBondContact CG1-O 3.5Å; V684-E687 HydrophobicContact CG1-CG 3.84Å
685A90.1Very high91.4Very high11 Ų1157 Ų579%0.09132%0.319CS..SBendtrans-74.8-44-168.200000112.1F641 L672 F674 P683F641-A685 HydrophobicContact CD1-CB 3.83Å; F641-A685 HydrophobicContact CD2-CB 3.85Å; F641-A685 HydrophobicContact CE1-CB 3.61Å; F641-A685 HydrophobicContact CE2-CB 3.64Å; F641-A685 HydrophobicContact CG-CB 3.95Å; F641-A685 HydrophobicContact CZ-CB 3.49Å; F641-A685 VanDerWaalsContact CZ-CB 3.49Å; L672-A685 WeakPolarHBondContact O-CB 3.35Å; L672-A685 PolarHBondContact O-N 2.86Å; F674-A685 HydrophobicContact CD2-CB 3.58Å; F674-A685 HydrophobicContact CE2-CB 3.73Å; P683-A685 PolarHBondContact O-N 3Å
686F94.1Very high91.5Very high28 Ų2857 Ų5712%0.12332%0.319CS..BIsolated β-bridgetrans-144.6146.6178.2-56.4-79.4000110.1W630 F641 H643 I671 L672 F674 V684 L689W630-F686 HydrophobicContact CB-CD2 3.82Å; W630-F686 HydrophobicContact CB-CE2 3.8Å; W630-F686 HydrophobicContact CB-CG 4.21Å; W630-F686 HydrophobicContact CB-CZ 4.19Å; W630-F686 AromaticContact CD1-CD1 3.48Å; W630-F686 VanDerWaalsContact CD1-CD1 3.48Å; W630-F686 AromaticContact CD1-CE1 3.84Å; W630-F686 AromaticContact CD1-CG 3.58Å; W630-F686 HydrophobicContact CG-CD1 4.44Å; W630-F686 HydrophobicContact CG-CD2 4.37Å; W630-F686 HydrophobicContact CG-CG 4.27Å; F641-F686 HydrophobicContact CB-CE2 4.32Å; F641-F686 HydrophobicContact CB-CZ 3.92Å; H643-F686 HydrophobicContact CB-CE1 3.65Å; H643-F686 HydrophobicContact CB-CZ 4.05Å; I671-F686 CarbonylContact C-O 3.53Å; I671-F686 VanDerWaalsContact CA-O 3.28Å; I671-F686 WeakPolarHBondContact CA-O 3.26Å; L672-F686 HydrophobicContact CB-CB 4.33Å; L672-F686 HydrophobicContact CB-CD2 4.38Å; L672-F686 HydrophobicContact CD2-CD2 3.8Å; L672-F686 HydrophobicContact CD2-CE2 4.37Å; L672-F686 HydrophobicContact CG-CD2 4.47Å; L672-F686 PolarHBondContact N-O 3.31Å; F674-F686 HydrophobicContact CE2-CD2 4.35Å; F674-F686 HydrophobicContact CE2-CE2 4.05Å; V684-F686 WeakPolarHBondContact CG1-O 3.5Å; F686-L689 HydrophobicContact CB-CD1 4.37Å; F686-L689 HydrophobicContact CB-CD2 4.41Å; F686-L689 HydrophobicContact CB-CG 4.49Å
687E92Very high91.5Very high137 Ų13756.9 Ų56.964%0.6432%0.318SS*.  trans-125.4168.5179.4-60.8-177.616600109.6G670 I671 V684 L689G670-E687 CarbonylContact O-C 3.6Å; G670-E687 VanDerWaalsContact O-C 3.25Å; G670-E687 VanDerWaalsContact O-CA 3.32Å; G670-E687 WeakPolarHBondContact O-CA 3.36Å; I671-E687 HydrophobicContact CG2-CG 4.17Å; V684-E687 HydrophobicContact CG1-CG 3.84Å; E687-L689 VanDerWaalsContact C-N 3.28Å; E687-L689 PolarHBondContact O-N 3.48Å
688S88.9Confident91.7Very high105 Ų10552.8 Ų52.873%0.73430%0.297SS*.  trans57.637.6179.9-52.40000113.7G670 E690G670-S688 PolarHBondContact O-N 3.34Å; S688-E690 PolarHBondContact O-N 3.05Å
689L88.7Confident91.9Very high7 Ų747.3 Ų47.34%0.03727%0.267CS..  trans-75.7115175.9-67.6172.1000111I612 W630 L665 G670 L672 F686 E687 Y693I612-L689 HydrophobicContact CD1-CD1 3.92Å; I612-L689 HydrophobicContact CD1-CD2 4.38Å; W630-L689 HydrophobicContact CD2-CD2 4.07Å; W630-L689 HydrophobicContact CG-CD2 4.11Å; L665-L689 HydrophobicContact CD1-CD1 3.83Å; G670-L689 PolarHBondContact O-N 3.44Å; L672-L689 HydrophobicContact CB-CD1 3.56Å; F686-L689 HydrophobicContact CB-CD1 4.37Å; F686-L689 HydrophobicContact CB-CD2 4.41Å; F686-L689 HydrophobicContact CB-CG 4.49Å; E687-L689 VanDerWaalsContact C-N 3.28Å; E687-L689 PolarHBondContact O-N 3.48Å; L689-Y693 HydrophobicContact CB-CE2 3.95Å; L689-Y693 HydrophobicContact CD2-CE2 4.46Å
690E83.9Confident92Very high152 Ų15240.5 Ų40.571%0.7124%0.236SC*.  trans-128.1134.4179.9-67.5-176.4-175.400111.7S688 Y693S688-E690 PolarHBondContact O-N 3.05Å; E690-Y693 PolarHBondContact N-OH 3.24Å; E690-Y693 PolarHBondContact O-OH 3.41Å
691G85.3Confident92Very high40 Ų4042.1 Ų42.141%0.41224%0.238SC..SBendtrans113.8-164.9177.900000113.1S589 F667S589-G691 WeakPolarHBondContact CA-O 3.29Å; S589-G691 WeakPolarHBondContact CB-O 3.48Å; F667-G691 VanDerWaalsContact CE1-O 3.32Å; F667-G691 WeakPolarHBondContact CE1-O 3.4Å
692A89.1Confident91.9Very high53 Ų5343.7 Ų43.744%0.43825%0.247SC..  trans-97.3127.117900000110.8A587 F588A587-A692 HydrophobicContact CB-CB 4.26Å; F588-A692 CarbonylContact O-C 3.25Å; F588-A692 WeakPolarHBondContact O-CA 3.48Å
693Y93.9Very high92.1Very high5 Ų542.7 Ų42.72%0.0224%0.236CC..BIsolated β-bridgetrans-125.2137.1-177.8-61.5-74.8000111.2A587 F588 I612 C613 R614 W630 F667 L689 E690A587-Y693 CarbonylContact C-O 3.58Å; A587-Y693 WeakPolarHBondContact CA-O 3.47Å; F588-Y693 PolarHBondContact N-O 2.93Å; F588-Y693 PolarHBondContact O-N 3.13Å; I612-Y693 HydrophobicContact CD1-CD1 4.04Å; I612-Y693 HydrophobicContact CD1-CD2 4.28Å; I612-Y693 HydrophobicContact CD1-CG 3.88Å; I612-Y693 HydrophobicContact CG1-CD1 4.36Å; I612-Y693 HydrophobicContact CG1-CG 4.49Å; C613-Y693 CarbonylContact O-C 3.54Å; C613-Y693 WeakPolarHBondContact O-CA 3.38Å; R614-Y693 HydrophobicContact CG-CD1 4.34Å; R614-Y693 HydrophobicContact CG-CE1 4.26Å; W630-Y693 HydrophobicContact CD2-CE1 4.49Å; W630-Y693 HydrophobicContact CE3-CD1 4.15Å; W630-Y693 AromaticContact CE3-CE1 3.73Å; W630-Y693 HydrophobicContact CE3-CE1 3.73Å; W630-Y693 AromaticContact CH2-CE1 3.73Å; W630-Y693 HydrophobicContact CH2-CE1 3.73Å; W630-Y693 HydrophobicContact CZ2-CE1 4.44Å; W630-Y693 AromaticContact CZ3-CD1 3.96Å; W630-Y693 HydrophobicContact CZ3-CD1 3.96Å; W630-Y693 AromaticContact CZ3-CE1 3.33Å; W630-Y693 HydrophobicContact CZ3-CE1 3.33Å; F667-Y693 AromaticContact CE1-CD2 3.59Å; F667-Y693 HydrophobicContact CE1-CD2 3.59Å; F667-Y693 AromaticContact CE1-CE2 3.99Å; F667-Y693 HydrophobicContact CE1-CE2 3.99Å; F667-Y693 AromaticContact CZ-CD2 3.74Å; F667-Y693 HydrophobicContact CZ-CD2 3.74Å; L689-Y693 HydrophobicContact CB-CE2 3.95Å; L689-Y693 HydrophobicContact CD2-CE2 4.46Å; E690-Y693 PolarHBondContact N-OH 3.24Å; E690-Y693 PolarHBondContact O-OH 3.41Å
694Y95.4Very high92.3Very high74 Ų7441.5 Ų41.529%0.2922%0.224SC..EExtended strand (participates in β ladder)trans-96139.2172-67-94000109.3L583 G584 A586 A587 I612 C613 A696L583-Y694 HydrophobicContact CD2-CD2 4.19Å; L583-Y694 HydrophobicContact CD2-CG 4.03Å; G584-Y694 VanDerWaalsContact O-CD1 3.29Å; G584-Y694 WeakPolarHBondContact O-CD1 3.44Å; A586-Y694 WeakPolarHBondContact O-CD1 3.46Å; A587-Y694 HydrophobicContact CB-CD1 3.91Å; A587-Y694 HydrophobicContact CB-CD2 3.95Å; A587-Y694 HydrophobicContact CB-CE1 3.64Å; A587-Y694 HydrophobicContact CB-CE2 3.67Å; A587-Y694 HydrophobicContact CB-CG 4.07Å; I612-Y694 CarbonylContact C-O 3.22Å; I612-Y694 WeakPolarHBondContact CA-O 3.48Å; C613-Y694 PolarHBondContact N-O 2.93Å; C613-Y694 PolarHBondContact O-N 3.17Å; Y694-A696 PolarHBondContact O-N 3.44Å
695P96Very high92.7Very high4 Ų439.2 Ų39.23%0.02621%0.211CC..EExtended strand (participates in β ladder)trans-53.1135.6160.3-26.537.8000109.8F552 L583 G584 A586 F588 W595F552-P695 HydrophobicContact CD1-CG 4.48Å; F552-P695 HydrophobicContact CD2-CB 4.34Å; F552-P695 HydrophobicContact CD2-CG 4.09Å; F552-P695 HydrophobicContact CE1-CG 3.89Å; F552-P695 HydrophobicContact CE2-CB 3.42Å; F552-P695 VanDerWaalsContact CE2-CB 3.42Å; F552-P695 HydrophobicContact CE2-CG 3.45Å; F552-P695 VanDerWaalsContact CE2-CG 3.45Å; F552-P695 HydrophobicContact CZ-CB 3.58Å; F552-P695 HydrophobicContact CZ-CG 3.34Å; L583-P695 CarbonylContact C-O 3.54Å; L583-P695 WeakPolarHBondContact CA-O 3.27Å; G584-P695 PolarHBondContact N-O 2.83Å; A586-P695 WeakPolarHBondContact O-CD 3.37Å; F588-P695 HydrophobicContact CD2-CG 4.07Å; F588-P695 HydrophobicContact CE2-CG 3.49Å; F588-P695 VanDerWaalsContact CE2-CG 3.49Å; W595-P695 HydrophobicContact CD2-CB 4.39Å; W595-P695 HydrophobicContact CD2-CG 4.34Å; W595-P695 HydrophobicContact CE3-CG 4.44Å; W595-P695 HydrophobicContact CH2-CB 4.25Å; W595-P695 HydrophobicContact CH2-CG 3.97Å; W595-P695 HydrophobicContact CZ2-CB 3.6Å; W595-P695 HydrophobicContact CZ2-CG 3.83Å; W595-P695 HydrophobicContact CZ3-CG 4.27Å
696A97.3Very high93Very high1 Ų139.6 Ų39.61%0.00821%0.211CC..EExtended strand (participates in β ladder)trans-147.6150.2-174.500000112.5V581 V582 G611 C613 L623 Y694V581-A696 HydrophobicContact CG1-CB 4.47Å; V582-A696 VanDerWaalsContact O-CA 3.29Å; V582-A696 WeakPolarHBondContact O-CA 3.06Å; G611-A696 CarbonylContact C-O 3.45Å; G611-A696 PolarHBondContact N-O 3.33Å; G611-A696 PolarHBondContact O-N 2.73Å; C613-A696 HydrophobicContact CB-CB 4.08Å; C613-A696 VanDerWaalsContact SG-CB 3.56Å; L623-A696 HydrophobicContact CD1-CB 3.81Å; L623-A696 HydrophobicContact CD2-CB 3.92Å; L623-A696 WeakPolarHBondContact CD2-O 3.46Å; Y694-A696 PolarHBondContact O-N 3.44Å
697I96.9Very high93.2Very high2 Ų238.4 Ų38.41%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-137.6153.4170.365.9174.7000110.2F554 V572 V581 V582 M597 A609 F610 L699 V705F554-I697 HydrophobicContact CE1-CD1 3.87Å; F554-I697 HydrophobicContact CE1-CG1 3.95Å; F554-I697 HydrophobicContact CZ-CD1 3.68Å; F554-I697 HydrophobicContact CZ-CG1 4.29Å; V572-I697 HydrophobicContact CG2-CD1 3.54Å; V581-I697 CarbonylContact C-O 3.55Å; V581-I697 VanDerWaalsContact CA-O 3.28Å; V581-I697 WeakPolarHBondContact CA-O 3.45Å; V582-I697 HydrophobicContact CB-CG1 4.3Å; V582-I697 PolarHBondContact N-O 3.01Å; V582-I697 PolarHBondContact O-N 2.91Å; M597-I697 HydrophobicContact CE-CG2 4.36Å; M597-I697 HydrophobicContact SD-CG2 3.29Å; M597-I697 WeakPolarHBondContact SD-CG2 3.47Å; A609-I697 CarbonylContact O-C 3.56Å; A609-I697 VanDerWaalsContact O-CA 3.25Å; A609-I697 WeakPolarHBondContact O-CA 3.44Å; F610-I697 HydrophobicContact CD1-CB 4.4Å; F610-I697 HydrophobicContact CD1-CG2 3.6Å; F610-I697 HydrophobicContact CE1-CG2 4.24Å; F610-I697 HydrophobicContact CG-CG2 4.41Å; I697-L699 HydrophobicContact CD1-CD2 3.38Å; I697-L699 HydrophobicContact CG1-CD2 3.94Å; I697-V705 HydrophobicContact CD1-CB 4.1Å; I697-V705 HydrophobicContact CD1-CG1 4.19Å; I697-V705 HydrophobicContact CD1-CG2 4.49Å
698S96.2Very high93.2Very high0 Ų035.1 Ų35.10%019%0.191CC..EExtended strand (participates in β ladder)trans-119.2133.3162640000111.4R580 P608 A609 L623R580-S698 VanDerWaalsContact O-CA 3.26Å; R580-S698 WeakPolarHBondContact O-CA 3.42Å; P608-S698 WeakPolarHBondContact CA-O 3.33Å; A609-S698 WeakPolarHBondContact CB-OG 3.41Å; A609-S698 PolarHBondContact N-O 3.38Å; A609-S698 PolarHBondContact O-N 3.06Å; L623-S698 WeakPolarHBondContact CB-OG 3.41Å; L623-S698 PolarHBondContact N-OG 2.87Å
699L94.9Very high93.2Very high1 Ų130.6 Ų30.61%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-146.1162.2-178.568.4103.5000111.6V572 S573 C574 R580 I697 V703V572-L699 HydrophobicContact CB-CD2 4.32Å; V572-L699 HydrophobicContact CG2-CD2 3.73Å; S573-L699 VanDerWaalsContact C-CD1 3.48Å; C574-L699 HydrophobicContact CB-CD1 3.53Å; R580-L699 PolarHBondContact N-O 3.05Å; R580-L699 PolarHBondContact O-N 3.11Å; R580-L699 VanDerWaalsContact O-N 3.12Å; I697-L699 HydrophobicContact CD1-CD2 3.38Å; I697-L699 HydrophobicContact CG1-CD2 3.94Å; L699-V703 HydrophobicContact CB-CB 4.02Å; L699-V703 HydrophobicContact CB-CG1 3.96Å
700N92.6Very high92.8Very high0 Ų031.8 Ų31.80%017%0.173CC..  trans-123.6-176.4175.762.565.5000110P606 N702 V703P606-N700 VanDerWaalsContact CB-ND2 3.29Å; P606-N700 WeakPolarHBondContact CB-ND2 3.42Å; P606-N700 VanDerWaalsContact CD-CG 3.43Å; P606-N700 WeakPolarHBondContact CD-ND2 3.43Å; P606-N700 HydrophobicContact CG-CB 4.27Å; P606-N700 WeakPolarHBondContact CG-ND2 3.44Å; P606-N700 PolarHBondContact O-ND2 3.42Å; N700-N702 PolarHBondContact O-N 2.92Å; N700-N702 VanDerWaalsContact O-N 3.07Å; N700-N702 WeakPolarHBondContact OD1-CB 3.32Å; N700-N702 PolarHBondContact OD1-N 3.33Å; N700-V703 PolarHBondContact O-N 3.48Å
701R92.9Very high92.7Very high117 Ų11726.7 Ų26.744%0.44215%0.15SC..THydrogen-bonded Turntrans-55.4-29-175.2-173.9177.8-172.4-177.31.7115.8C574 S576 R601 V703C574-R701 WeakPolarHBondContact O-CA 3.48Å; C574-R701 WeakPolarHBondContact O-CB 3.41Å; C574-R701 WeakPolarHBondContact O-CG 3.35Å; S576-R701 VanDerWaalsContact O-CB 3.26Å; S576-R701 WeakPolarHBondContact O-CB 3.25Å; S576-R701 PolarHBondContact O-N 3.03Å; R601-R701 PolarHBondContact NH2-O 3.38Å; R701-V703 PolarHBondContact O-N 3.25Å
702N91.4Very high92.5Very high39 Ų3928.2 Ų28.221%0.20915%0.153CC..THydrogen-bonded Turntrans-84.9-0.8-176.4-64.5-20000112.9Y602 D603 H605 N700Y602-N702 WeakPolarHBondContact CA-O 3.4Å; D603-N702 HydrophobicContact CB-CB 4.13Å; D603-N702 PolarHBondContact N-O 3.2Å; H605-N702 PolarHBondContact O-ND2 3.17Å; N700-N702 PolarHBondContact O-N 2.92Å; N700-N702 VanDerWaalsContact O-N 3.07Å; N700-N702 WeakPolarHBondContact OD1-CB 3.32Å; N700-N702 PolarHBondContact OD1-N 3.33Å
703V94Very high92.1Very high0 Ų027.6 Ų27.60%014%0.142CC..EExtended strand (participates in β ladder)trans-118.9139.7-179.8178.50000110.4R601 Y602 P608 L699 N700 R701 V705R601-V703 VanDerWaalsContact O-CA 3.31Å; R601-V703 WeakPolarHBondContact O-CA 3.41Å; Y602-V703 HydrophobicContact CD2-CG2 3.8Å; Y602-V703 HydrophobicContact CE2-CG2 4.4Å; P608-V703 HydrophobicContact CB-CG1 4.07Å; P608-V703 HydrophobicContact CB-CG2 4.22Å; P608-V703 HydrophobicContact CG-CG1 4.36Å; P608-V703 HydrophobicContact CG-CG2 4.22Å; L699-V703 HydrophobicContact CB-CB 4.02Å; L699-V703 HydrophobicContact CB-CG1 3.96Å; N700-V703 PolarHBondContact O-N 3.48Å; R701-V703 PolarHBondContact O-N 3.25Å; V703-V705 HydrophobicContact CG1-CG2 3.83Å
704Q95.9Very high91.6Very high47 Ų4728.4 Ų28.422%0.2215%0.148CC..EExtended strand (participates in β ladder)trans-135.4135.7166.9-178.9177.9-29.100108.9T571 V572 D600 R601T571-Q704 HydrophobicContact CG2-CG 3.96Å; V572-Q704 WeakPolarHBondContact O-CA 3.39Å; D600-Q704 HydrophobicContact CB-CB 4.19Å; D600-Q704 HydrophobicContact CB-CG 4.01Å; D600-Q704 PolarHBondContact N-O 3.38Å; R601-Q704 HydrophobicContact CB-CB 3.92Å; R601-Q704 PolarHBondContact N-O 3.27Å; R601-Q704 PolarHBondContact O-N 3.06Å
705V97.1Very high90.8Very high1 Ų132.9 Ų32.91%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-133.1140-175.1175.40000110T571 V572 M597 T598 D600 F610 I697 V703T571-V705 WeakPolarHBondContact CA-O 3.29Å; V572-V705 PolarHBondContact N-O 3.3Å; V572-V705 PolarHBondContact O-N 3.24Å; M597-V705 HydrophobicContact CB-CG1 3.7Å; M597-V705 HydrophobicContact CG-CG1 4.18Å; T598-V705 VanDerWaalsContact O-CA 3.29Å; T598-V705 WeakPolarHBondContact O-CA 3.46Å; D600-V705 VanDerWaalsContact OD2-C 3.32Å; F610-V705 HydrophobicContact CE1-CG1 4.11Å; F610-V705 HydrophobicContact CE1-CG2 3.94Å; F610-V705 HydrophobicContact CZ-CG2 4.15Å; I697-V705 HydrophobicContact CD1-CB 4.1Å; I697-V705 HydrophobicContact CD1-CG1 4.19Å; I697-V705 HydrophobicContact CD1-CG2 4.49Å; V703-V705 HydrophobicContact CG1-CG2 3.83Å
706T97.6Very high89.9Confident18 Ų1837.9 Ų37.911%0.1120%0.198CC..EExtended strand (participates in β ladder)trans-112.9129.3171-65.70000110.3L570 T571 M597 T598 D600L570-T706 CarbonylContact O-C 3.52Å; L570-T706 WeakPolarHBondContact O-CA 3.5Å; T571-T706 WeakPolarHBondContact CG2-OG1 3.24Å; T571-T706 PolarHBondContact OG1-OG1 3.24Å; M597-T706 CarbonylContact C-O 3.59Å; M597-T706 VanDerWaalsContact CA-O 3.28Å; M597-T706 WeakPolarHBondContact CA-O 3.45Å; T598-T706 PolarHBondContact N-O 2.84Å; T598-T706 PolarHBondContact O-N 3.37Å; D600-T706 WeakPolarHBondContact OD2-CB 3.37Å; D600-T706 PolarHBondContact OD2-N 3.11Å; D600-T706 VanDerWaalsContact OD2-N 3.13Å; D600-T706 PolarHBondContact OD2-OG1 3.21Å
707L96.8Very high89.1Confident3 Ų338.9 Ų38.92%0.01620%0.202CC..EExtended strand (participates in β ladder)trans-89.6136.2-179.8175.170.7000111F552 F554 L570 W595 M597 T709F552-L707 HydrophobicContact CD2-CD2 3.8Å; F552-L707 HydrophobicContact CE2-CD1 3.89Å; F552-L707 HydrophobicContact CE2-CD2 3.49Å; F552-L707 VanDerWaalsContact CE2-CD2 3.49Å; F552-L707 HydrophobicContact CE2-CG 4.25Å; F552-L707 HydrophobicContact CZ-CD1 4.01Å; F552-L707 HydrophobicContact CZ-CD2 4.29Å; F554-L707 HydrophobicContact CD2-CB 4.24Å; F554-L707 HydrophobicContact CD2-CD2 4.3Å; F554-L707 HydrophobicContact CE1-CD2 4.49Å; F554-L707 HydrophobicContact CE2-CB 3.46Å; F554-L707 VanDerWaalsContact CE2-CB 3.46Å; F554-L707 HydrophobicContact CE2-CD2 4.14Å; F554-L707 HydrophobicContact CE2-CG 4.37Å; F554-L707 HydrophobicContact CZ-CB 3.76Å; F554-L707 HydrophobicContact CZ-CD2 4.23Å; F554-L707 HydrophobicContact CZ-CG 4.4Å; L570-L707 WeakPolarHBondContact O-CB 3.43Å; L570-L707 PolarHBondContact O-N 3.21Å; W595-L707 HydrophobicContact CG-CD1 4.49Å; M597-L707 HydrophobicContact CG-CD1 3.7Å; M597-L707 HydrophobicContact SD-CD1 4.31Å; L707-T709 HydrophobicContact CD1-CG2 3.98Å; L707-T709 HydrophobicContact CD2-CG2 3.7Å; L707-T709 HydrophobicContact CG-CG2 3.63Å
708H92.9Very high88Confident68 Ų6843.9 Ų43.932%0.31523%0.233SC..EExtended strand (participates in β ladder)trans-118.5115.4173.5-52.9-72.1000109E596 T598 L711E596-H708 HydrophobicContact CB-CB 4.23Å; E596-H708 PolarHBondContact N-O 3Å; E596-H708 PolarHBondContact O-N 3.13Å; T598-H708 PolarHBondContact OG1-CD2 3.18Å; T598-H708 PolarHBondContact OG1-NE2 2.72Å; H708-L711 HydrophobicContact CB-CD1 4.01Å
709T88.8Confident86.7Confident10 Ų1046.9 Ų46.96%0.06125%0.253CS..  trans-117.7172.1176.772.60000109.7W551 F552 L707 L711W551-T709 VanDerWaalsContact CD2-OG1 3.29Å; F552-T709 HydrophobicContact CD1-CG2 3.58Å; F552-T709 HydrophobicContact CD2-CG2 3.99Å; F552-T709 HydrophobicContact CE1-CG2 3.43Å; F552-T709 VanDerWaalsContact CE1-CG2 3.43Å; F552-T709 HydrophobicContact CE2-CG2 3.84Å; F552-T709 HydrophobicContact CG-CG2 3.86Å; F552-T709 HydrophobicContact CZ-CG2 3.54Å; F552-T709 PolarHBondContact N-OG1 3.24Å; F552-T709 WeakPolarHBondContact O-CG2 3.43Å; F552-T709 PolarHBondContact O-OG1 3.47Å; L707-T709 HydrophobicContact CD1-CG2 3.98Å; L707-T709 HydrophobicContact CD2-CG2 3.7Å; L707-T709 HydrophobicContact CG-CG2 3.63Å; T709-L711 VanDerWaalsContact C-N 3.28Å; T709-L711 PolarHBondContact O-N 3.42Å
710G79.1Confident85Confident33 Ų3347.5 Ų47.534%0.3426%0.259SS..SBendtrans7612-17500000115V549 A550V549-G710 WeakPolarHBondContact CB-O 3.41Å; V549-G710 VanDerWaalsContact CG1-CA 3.4Å; V549-G710 WeakPolarHBondContact CG2-O 3.31Å; A550-G710 PolarHBondContact O-N 3.03Å
711L83.3Confident82.7Confident44 Ų4456.6 Ų56.623%0.2330%0.302CS..PPolyproline II helixtrans-78.9130.6171.4-55.8180000117.3V549 Y594 E596 H708 T709V549-L711 VanDerWaalsContact CG1-C 3.47Å; V549-L711 VanDerWaalsContact CG1-N 3.27Å; V549-L711 WeakPolarHBondContact CG1-O 3.4Å; V549-L711 VanDerWaalsContact CG2-O 3.31Å; V549-L711 WeakPolarHBondContact CG2-O 3.38Å; Y594-L711 HydrophobicContact CD1-CB 3.97Å; Y594-L711 HydrophobicContact CE1-CB 4.35Å; Y594-L711 HydrophobicContact CE1-CD1 4.25Å; E596-L711 HydrophobicContact CB-CD1 3.57Å; E596-L711 VanDerWaalsContact CD-CD1 3.46Å; E596-L711 HydrophobicContact CG-CD1 3.47Å; E596-L711 VanDerWaalsContact CG-CD1 3.47Å; H708-L711 HydrophobicContact CB-CD1 4.01Å; T709-L711 VanDerWaalsContact C-N 3.28Å; T709-L711 PolarHBondContact O-N 3.42Å
712P80.2Confident80.2Confident72 Ų7254.5 Ų54.547%0.46831%0.309SS..PPolyproline II helixtrans-59.5157.217728.2-35.2000112V549 Y594V549-P712 HydrophobicContact CG2-CB 4.46Å; Y594-P712 WeakPolarHBondContact CD1-O 3.25Å
713I82.1Confident77.5Confident41 Ų4158.3 Ų58.321%0.2133%0.329CS..PPolyproline II helixtrans-58.4129.6170.7-59.9172.5000107.6V592 L664 Y717 P719V592-I713 HydrophobicContact CB-CD1 3.79Å; V592-I713 HydrophobicContact CG1-CD1 3.69Å; V592-I713 HydrophobicContact CG1-CG1 4.26Å; L664-I713 HydrophobicContact CD1-CG2 4.4Å; I713-Y717 HydrophobicContact CG2-CD1 3.84Å; I713-P719 HydrophobicContact CD1-CG 3.81Å
714P82.6Confident74.8Confident21 Ų2164 Ų6414%0.13637%0.367CS..PPolyproline II helixtrans-58.1140-177.8-27.635.4000112.9Y594 F716 Y717Y594-P714 HydrophobicContact CD1-CG 3.83Å; Y594-P714 HydrophobicContact CD2-CG 3.86Å; Y594-P714 HydrophobicContact CE1-CG 3.64Å; Y594-P714 HydrophobicContact CE2-CG 3.68Å; Y594-P714 HydrophobicContact CG-CG 3.92Å; P714-F716 HydrophobicContact CB-CD1 3.42Å; P714-F716 VanDerWaalsContact CB-CD1 3.42Å; P714-F716 HydrophobicContact CB-CE1 3.1Å; P714-F716 HydrophobicContact CB-CG 4.34Å; P714-F716 HydrophobicContact CB-CZ 3.79Å; P714-F716 HydrophobicContact CG-CD1 4.49Å; P714-F716 HydrophobicContact CG-CE1 3.72Å; P714-F716 HydrophobicContact CG-CZ 4.09Å; P714-F716 PolarHBondContact O-N 3.45Å; P714-Y717 PolarHBondContact O-N 3.05Å
715D77.6Confident71.9Confident168 Ų16866.6 Ų66.690%0.89839%0.386SS*.THydrogen-bonded Turntrans-59.3-24.2-176-68.9-30.8000114Y717D715-Y717 PolarHBondContact O-N 3.31Å
716F78.9Confident68.7Low109 Ų10971.9 Ų71.948%0.47842%0.423SS..THydrogen-bonded Turntrans-71.1-16.5175.973.8-100.3000112.8L675 P714L675-F716 HydrophobicContact CD1-CZ 3.94Å; L675-F716 HydrophobicContact CD2-CE1 3.48Å; L675-F716 VanDerWaalsContact CD2-CE1 3.48Å; L675-F716 HydrophobicContact CD2-CE2 4.2Å; L675-F716 HydrophobicContact CD2-CZ 3.28Å; L675-F716 HydrophobicContact CG-CZ 4.19Å; P714-F716 HydrophobicContact CB-CD1 3.42Å; P714-F716 VanDerWaalsContact CB-CD1 3.42Å; P714-F716 HydrophobicContact CB-CE1 3.1Å; P714-F716 HydrophobicContact CB-CG 4.34Å; P714-F716 HydrophobicContact CB-CZ 3.79Å; P714-F716 HydrophobicContact CG-CD1 4.49Å; P714-F716 HydrophobicContact CG-CE1 3.72Å; P714-F716 HydrophobicContact CG-CZ 4.09Å; P714-F716 PolarHBondContact O-N 3.45Å
717Y78.9Confident65.9Low22 Ų2276.2 Ų76.29%0.08645%0.454CS..  trans-111.7109.6-175.9-171.2-93.5000111.2V592 L664 D666 I671 I673 I713 P714 D715 P719V592-Y717 HydrophobicContact CG1-CE1 4.15Å; L664-Y717 HydrophobicContact CD1-CD1 3.63Å; L664-Y717 HydrophobicContact CD1-CD2 4Å; L664-Y717 HydrophobicContact CD1-CE1 4.19Å; L664-Y717 HydrophobicContact CD1-CG 3.52Å; L664-Y717 HydrophobicContact CD2-CD1 4.12Å; L664-Y717 HydrophobicContact CD2-CD2 4.34Å; L664-Y717 HydrophobicContact CD2-CE1 3.8Å; L664-Y717 HydrophobicContact CD2-CE2 4.05Å; L664-Y717 HydrophobicContact CD2-CG 4.38Å; L664-Y717 HydrophobicContact CG-CD1 4.47Å; D666-Y717 PolarHBondContact OD2-OH 3.03Å; I671-Y717 HydrophobicContact CD1-CE2 4.39Å; I671-Y717 WeakPolarHBondContact CD1-OH 3.36Å; I673-Y717 HydrophobicContact CD1-CD2 4.1Å; I673-Y717 HydrophobicContact CD1-CE2 3.73Å; I713-Y717 HydrophobicContact CG2-CD1 3.84Å; P714-Y717 PolarHBondContact O-N 3.05Å; D715-Y717 PolarHBondContact O-N 3.31Å; Y717-P719 WeakPolarHBondContact O-CD 3.42Å
718T74.3Confident62.8Low107 Ų10782 Ų8266%0.65649%0.489SS*.PPolyproline II helixtrans-87.6117.8167.943.50000110.3R669R669-T718 PolarHBondContact NH2-O 2.82Å
719P69.2Low59.7Low64 Ų6488.3 Ų88.342%0.41654%0.539SS..PPolyproline II helixtrans-51.8144.7173-27.336.5000111.7V592 I713 Y717 E721V592-P719 HydrophobicContact CG2-CB 4.13Å; I713-P719 HydrophobicContact CD1-CG 3.81Å; Y717-P719 WeakPolarHBondContact O-CD 3.42Å; P719-E721 PolarHBondContact O-N 3.45Å
720G58.3Low58.3Low14 Ų1492.3 Ų92.314%0.14456%0.563CS.*PPolyproline II helixtrans-64.5132.8170.300000111.2R669 A722R669-G720 VanDerWaalsContact NE-CA 3.27Å; G720-A722 PolarHBondContact O-N 3.33Å
721E45.1Very low57.2Low191 Ų19195.4 Ų95.489%0.89357%0.574SS**PPolyproline II helixtrans-62.5126.5155.7-70-173.4162.900107P719 D723P719-E721 PolarHBondContact O-N 3.45Å; E721-D723 PolarHBondContact O-N 2.74Å; E721-D723 VanDerWaalsContact O-N 3.08Å
722A41.3Very low55.7Low73 Ų7398.2 Ų98.260%0.60359%0.593SS**  trans-60.9113.7171.100000107.5T668 G720 P724T668-A722 HydrophobicContact CG2-CB 3.91Å; G720-A722 PolarHBondContact O-N 3.33Å; A722-P724 VanDerWaalsContact O-CD 3.22Å; A722-P724 WeakPolarHBondContact O-CD 3.38Å; A722-P724 VanDerWaalsContact O-N 3.15Å
723D33.4Very low54.3Low118 Ų11899.8 Ų99.863%0.63160%0.601SS**  trans-63.3114.1177.1-160.511000108E721 T725E721-D723 PolarHBondContact O-N 2.74Å; E721-D723 VanDerWaalsContact O-N 3.08Å; D723-T725 PolarHBondContact O-N 3.47Å; D723-T725 PolarHBondContact OD1-OG1 3.22Å
724P38.2Very low52.6Low121 Ų121103.4 Ų103.479%0.78663%0.625SS**THydrogen-bonded Turntrans-73.412.4-170.926.1-28.4000113.6A722A722-P724 VanDerWaalsContact O-CD 3.22Å; A722-P724 WeakPolarHBondContact O-CD 3.38Å; A722-P724 VanDerWaalsContact O-N 3.15Å
725T34.9Very low50.6Low100 Ų100108.9 Ų108.961%0.61366%0.658SS**THydrogen-bonded Turntrans-115.83.9-172.543.40000116.6D723 S727D723-T725 PolarHBondContact O-N 3.47Å; D723-T725 PolarHBondContact OD1-OG1 3.22Å; T725-S727 VanDerWaalsContact C-N 3.28Å; T725-S727 PolarHBondContact O-N 2.69Å
726S30.2Very low48.6Very low113 Ų113104.7 Ų104.779%0.7964%0.641SS**  trans-90.957.4171.672.70000112.6
727S37.4Very low46.3Very low108 Ų108104.4 Ų104.476%0.75565%0.653SS**  trans-113.681.4155.566.80000107.8T725T725-S727 VanDerWaalsContact C-N 3.28Å; T725-S727 PolarHBondContact O-N 2.69Å
728V31.9Very low43.6Very low126 Ų126111.3 Ų111.376%0.76470%0.7SS**  trans-136.8118.8170.1-176.70000109.7
729C29Very low40.8Very low200 Ų200111.6 Ų111.6100%1.35170%0.704SS**  trans82.50169.2-69.60000118.2

Retrieved 729 of 729 residues in 1798.5 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).