A0A087X8J5_POEFO Loading...

Calcium binding and coiled-coil domain 1a

AlphaFold DB , UniProt , Accession A0A087X8J5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 649 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
1M35Very low74.4Confident227 Ų227102.8 Ų102.8100%1.11850%0.499SS*.  0820-93-160.6-173.800104.5
2D45.7Very low75.8Confident155 Ų15596.8 Ų96.883%0.82947%0.472SS*.  trans-98.9133.5-150.6-47.4-56.9000108A4D2-A4 PolarHBondContact O-N 3.06Å; D2-A4 VanDerWaalsContact O-N 3.09Å
3K49.3Very low76.6Confident201 Ų20191.5 Ų91.587%0.87446%0.458SS*.  trans-70113.9-163.8-159-179.2-174-176.10108.2W5K3-W5 PolarHBondContact O-N 3.37Å
4A64.3Low77.4Confident66 Ų6692.9 Ų92.955%0.54548%0.48SS..  trans-50.5110.5178.700000110.5D2 Q31D2-A4 PolarHBondContact O-N 3.06Å; D2-A4 VanDerWaalsContact O-N 3.09Å; A4-Q31 VanDerWaalsContact CB-OE1 3.3Å
5W77.5Confident78Confident97 Ų9789.1 Ų89.137%0.36747%0.467SS..  trans-90129.9177.156.7-88.6000108.8K3 E8 T27 S29 E70K3-W5 PolarHBondContact O-N 3.37Å; W5-E8 HydrophobicContact CD2-CB 4.33Å; W5-E8 HydrophobicContact CE3-CB 3.65Å; W5-E8 HydrophobicContact CZ3-CB 3.79Å; W5-T27 HydrophobicContact CH2-CG2 4.06Å; W5-T27 HydrophobicContact CZ3-CG2 4.3Å; W5-S29 VanDerWaalsContact CZ3-CB 3.5Å; W5-S29 VanDerWaalsContact O-CB 3.27Å; W5-S29 WeakPolarHBondContact O-CB 3.45Å; W5-S29 PolarHBondContact O-OG 3.46Å; W5-E70 HydrophobicContact CH2-CG 4.41Å
6R85.2Confident78.8Confident78 Ų7885.8 Ų85.829%0.29445%0.447SS..SBendtrans-79.9-46.8177.6-76-168.2-85.8-168.1-6.6111S29 H32 D96 E100 C102R6-S29 PolarHBondContact O-N 3.48Å; R6-S29 VanDerWaalsContact O-N 3.09Å; R6-S29 PolarHBondContact O-OG 3.23Å; R6-H32 HydrophobicContact CB-CB 4.04Å; R6-H32 HydrophobicContact CG-CB 4.49Å; R6-H32 VanDerWaalsContact O-CB 3.25Å; R6-H32 WeakPolarHBondContact O-CB 3.3Å; R6-D96 IonicContact NH1-OD2 3.88Å; R6-E100 IonicContact CZ-OE2 3.12Å; R6-E100 VanDerWaalsContact CZ-OE2 3.25Å; R6-E100 IonicContact NH1-OE2 3.72Å; R6-E100 PolarHBondContact NH1-OE2 3.48Å; R6-E100 IonicContact NH2-OE2 2.63Å; R6-E100 PolarHBondContact NH2-OE2 3.31Å; R6-C102 HydrophobicContact CB-CB 4.02Å
7V90.8Very high79.3Confident2 Ų286.5 Ų86.51%0.01245%0.446CS..EExtended strand (participates in β ladder)trans-140.7145.7178.7-173.30000108.6Y26 T27 L28 Y94 C102 S103V7-Y26 HydrophobicContact CG1-CD2 3.77Å; V7-Y26 HydrophobicContact CG1-CG 4.25Å; V7-T27 WeakPolarHBondContact CA-O 3.48Å; V7-T27 WeakPolarHBondContact CG1-O 3.33Å; V7-L28 HydrophobicContact CG1-CD2 4.2Å; V7-L28 HydrophobicContact CG2-CD2 3.75Å; V7-Y94 HydrophobicContact CB-CD2 4.27Å; V7-Y94 HydrophobicContact CB-CG 4.27Å; V7-Y94 HydrophobicContact CG1-CD2 3.77Å; V7-Y94 HydrophobicContact CG1-CE2 4.2Å; V7-Y94 HydrophobicContact CG1-CG 4.22Å; V7-Y94 HydrophobicContact CG2-CD1 3.98Å; V7-Y94 HydrophobicContact CG2-CD2 4Å; V7-Y94 HydrophobicContact CG2-CE1 4.07Å; V7-Y94 HydrophobicContact CG2-CE2 4.07Å; V7-Y94 HydrophobicContact CG2-CG 3.95Å; V7-C102 HydrophobicContact CG2-CB 4.25Å; V7-S103 WeakPolarHBondContact O-CB 3.32Å; V7-S103 PolarHBondContact O-OG 3.31Å
8E93.4Very high79.4Confident73 Ų7382.5 Ų82.534%0.34143%0.426SS..EExtended strand (participates in β ladder)trans-130.2127.1175.2-166.1-176165.400110.5W5 R10 Y26 T27W5-E8 HydrophobicContact CD2-CB 4.33Å; W5-E8 HydrophobicContact CE3-CB 3.65Å; W5-E8 HydrophobicContact CZ3-CB 3.79Å; E8-R10 VanDerWaalsContact CD-CZ 3.45Å; E8-R10 IonicContact OE1-CZ 3.02Å; E8-R10 IonicContact OE1-NH1 3.25Å; E8-R10 PolarHBondContact OE1-NH1 2.86Å; E8-R10 IonicContact OE2-CZ 3.75Å; E8-R10 IonicContact OE2-NH1 2.66Å; E8-R10 PolarHBondContact OE2-NH1 3.22Å; E8-R10 IonicContact OE2-NH2 3.31Å; E8-R10 PolarHBondContact OE2-NH2 3.4Å; E8-Y26 CarbonylContact O-C 3.57Å; E8-Y26 VanDerWaalsContact O-CA 3.24Å; E8-Y26 WeakPolarHBondContact O-CA 3.47Å; E8-Y26 WeakPolarHBondContact O-CB 3.42Å; E8-T27 PolarHBondContact N-O 3.47Å; E8-T27 PolarHBondContact O-N 3.31Å
9F94.8Very high79.5Confident20 Ų2087.9 Ų87.99%0.08845%0.449CS..EExtended strand (participates in β ladder)trans-76.2133.3176.2-69.6-79.5000110.9V12 I40 F92F9-V12 HydrophobicContact CB-CG2 3.66Å; F9-I40 HydrophobicContact CE1-CD1 4.15Å; F9-I40 HydrophobicContact CE1-CG1 4.41Å; F9-I40 HydrophobicContact CE1-CG2 3.89Å; F9-I40 HydrophobicContact CZ-CG1 4.46Å; F9-I40 HydrophobicContact CZ-CG2 3.99Å; F9-F92 HydrophobicContact CD1-CB 4.05Å; F9-F92 HydrophobicContact CE1-CB 3.62Å; F9-F92 HydrophobicContact CE1-CG 4.46Å; F9-F92 HydrophobicContact CE2-CB 4.15Å; F9-F92 WeakPolarHBondContact CE2-O 3.32Å; F9-F92 HydrophobicContact CZ-CB 3.67Å
10R92.4Very high79.8Confident74 Ų7486.3 Ų86.328%0.27945%0.447SS..EExtended strand (participates in β ladder)trans-109151.8-178.9-61.4-66.5-177-148.4-11.3110.3E8 V12 H25 T27E8-R10 VanDerWaalsContact CD-CZ 3.45Å; E8-R10 IonicContact OE1-CZ 3.02Å; E8-R10 IonicContact OE1-NH1 3.25Å; E8-R10 PolarHBondContact OE1-NH1 2.86Å; E8-R10 IonicContact OE2-CZ 3.75Å; E8-R10 IonicContact OE2-NH1 2.66Å; E8-R10 PolarHBondContact OE2-NH1 3.22Å; E8-R10 IonicContact OE2-NH2 3.31Å; E8-R10 PolarHBondContact OE2-NH2 3.4Å; R10-V12 PolarHBondContact O-N 3.42Å; R10-V12 VanDerWaalsContact O-N 3.08Å; R10-H25 HydrophobicContact CB-CB 4.09Å; R10-H25 PolarHBondContact N-O 3.19Å; R10-T27 VanDerWaalsContact CG-OG1 3.28Å; R10-T27 WeakPolarHBondContact CG-OG1 2.99Å; R10-T27 PolarHBondContact NE-OG1 3Å
11N89.9Confident80.3Confident138 Ų13888.9 Ų88.974%0.73845%0.451SS*.SBendtrans51.933.8171.4-56.6-12.9000114.7G13N11-G13 PolarHBondContact O-N 3.4Å
12V91.4Very high83Confident30 Ų3078.2 Ų78.218%0.18240%0.398CS..  trans-72.9110178.9-176.30000109F9 R10 Y16 S106 F108F9-V12 HydrophobicContact CB-CG2 3.66Å; R10-V12 PolarHBondContact O-N 3.42Å; R10-V12 VanDerWaalsContact O-N 3.08Å; V12-Y16 WeakPolarHBondContact CA-OH 3.38Å; V12-S106 WeakPolarHBondContact CB-OG 3.47Å; V12-S106 WeakPolarHBondContact CG1-OG 3.37Å; V12-F108 HydrophobicContact CG1-CD1 3.63Å; V12-F108 HydrophobicContact CG1-CE1 4.05Å
13G86.4Confident85.3Confident28 Ų2873.1 Ų73.129%0.28937%0.371SS..  trans-71146.7178.800000111.6N11 A15 Y16 F108N11-G13 PolarHBondContact O-N 3.4Å; G13-A15 PolarHBondContact O-N 3.34Å; G13-Y16 PolarHBondContact N-OH 3.15Å; G13-F108 WeakPolarHBondContact O-CB 3.37Å
14C86.8Confident87.4Confident112 Ų11263.6 Ų63.676%0.75733%0.33SS*.SBendtrans-66.6-19.4176.156.90000113.6F108 T109C14-F108 WeakPolarHBondContact O-CA 3.36Å; C14-T109 PolarHBondContact O-N 2.91Å; C14-T109 VanDerWaalsContact O-N 3.15Å
15A87.5Confident88.8Confident36 Ų3663.8 Ų63.830%0.29832%0.319SS..EExtended strand (participates in β ladder)trans-149.2152.6170.300000111.6G13 T109G13-A15 PolarHBondContact O-N 3.34Å; A15-T109 CarbonylContact C-O 3.49Å; A15-T109 WeakPolarHBondContact CA-O 3.29Å
16Y90.1Very high89.6Confident35 Ų3559.2 Ų59.214%0.13730%0.302CS..EExtended strand (participates in β ladder)trans-128.1152.5175.9-69.7-79.7000111.5V12 G13 P18 V22 F92 F108 T109 F110 C111V12-Y16 WeakPolarHBondContact CA-OH 3.38Å; G13-Y16 PolarHBondContact N-OH 3.15Å; Y16-P18 WeakPolarHBondContact O-CD 3.41Å; Y16-V22 HydrophobicContact CD1-CB 4.26Å; Y16-V22 HydrophobicContact CD1-CG1 3.58Å; Y16-V22 HydrophobicContact CD1-CG2 3.73Å; Y16-V22 HydrophobicContact CD2-CG1 4.3Å; Y16-V22 HydrophobicContact CE1-CG1 3.55Å; Y16-V22 HydrophobicContact CE2-CG1 4.28Å; Y16-V22 HydrophobicContact CG-CG1 3.96Å; Y16-V22 HydrophobicContact CG-CG2 3.83Å; Y16-F92 HydrophobicContact CE2-CE2 4.2Å; Y16-F108 HydrophobicContact CD2-CB 4.35Å; Y16-F108 AromaticContact CD2-CD2 3.57Å; Y16-F108 HydrophobicContact CD2-CD2 3.57Å; Y16-F108 AromaticContact CD2-CE2 3.93Å; Y16-F108 HydrophobicContact CD2-CE2 3.93Å; Y16-F108 AromaticContact CD2-CG 3.94Å; Y16-F108 HydrophobicContact CD2-CG 3.94Å; Y16-F108 HydrophobicContact CE2-CB 4.37Å; Y16-F108 HydrophobicContact CE2-CD1 4.16Å; Y16-F108 AromaticContact CE2-CD2 3.92Å; Y16-F108 HydrophobicContact CE2-CD2 3.92Å; Y16-F108 HydrophobicContact CE2-CE1 4.42Å; Y16-F108 HydrophobicContact CE2-CE2 4.18Å; Y16-F108 AromaticContact CE2-CG 3.89Å; Y16-F108 HydrophobicContact CE2-CG 3.89Å; Y16-F108 HydrophobicContact CE2-CZ 4.42Å; Y16-T109 PolarHBondContact N-O 2.92Å; Y16-F110 WeakPolarHBondContact O-CA 3.49Å; Y16-C111 PolarHBondContact O-N 3.21Å; Y16-C111 VanDerWaalsContact O-N 3.1Å
17F87.5Confident89.9Confident98 Ų9855.5 Ų55.543%0.4329%0.288SS..  trans-88.2115.1177.6-54.4-52000110.4Q19 S20 C111 P113F17-Q19 PolarHBondContact O-N 3.22Å; F17-Q19 VanDerWaalsContact O-N 3.09Å; F17-S20 WeakPolarHBondContact O-CB 3.5Å; F17-S20 PolarHBondContact O-N 3.45Å; F17-C111 WeakPolarHBondContact CD1-O 3.49Å; F17-P113 HydrophobicContact CD1-CG 3.71Å; F17-P113 HydrophobicContact CD2-CG 4.48Å; F17-P113 HydrophobicContact CE1-CB 3.98Å; F17-P113 HydrophobicContact CE1-CG 3.63Å; F17-P113 HydrophobicContact CE2-CG 4.4Å; F17-P113 HydrophobicContact CG-CG 4.16Å; F17-P113 HydrophobicContact CZ-CB 4.2Å; F17-P113 HydrophobicContact CZ-CG 4Å
18P82Confident90Very high15 Ų1555.4 Ų55.410%0.09729%0.287CS..THydrogen-bonded Turntrans-73.8-2.9-173.329.5-34.3000114.5Y16 L82 P83 P85 F110 C111Y16-P18 WeakPolarHBondContact O-CD 3.41Å; P18-L82 HydrophobicContact CB-CB 4.34Å; P18-P83 WeakPolarHBondContact CB-O 3.47Å; P18-P85 HydrophobicContact CG-CB 4.47Å; P18-P85 HydrophobicContact CG-CG 3.64Å; P18-F110 HydrophobicContact CB-CB 4.19Å; P18-F110 HydrophobicContact CB-CD1 3.91Å; P18-F110 HydrophobicContact CB-CG 4.38Å; P18-F110 HydrophobicContact CG-CB 4.2Å; P18-C111 WeakPolarHBondContact CD-O 3.41Å
19Q81.3Confident89.8Confident185 Ų18552.1 Ų52.186%0.86427%0.272SS*.THydrogen-bonded Turntrans-94.1-8169.8-64.5178-200112.5F17F17-Q19 PolarHBondContact O-N 3.22Å; F17-Q19 VanDerWaalsContact O-N 3.09Å
20S84.8Confident89.4Confident56 Ų5654.5 Ų54.539%0.39229%0.291SS..SBendtrans-97.8159.6173.4-177.80000110.4F17 A79 L82F17-S20 WeakPolarHBondContact O-CB 3.5Å; F17-S20 PolarHBondContact O-N 3.45Å; S20-A79 WeakPolarHBondContact O-CB 3.39Å; S20-L82 WeakPolarHBondContact O-CD1 3.49Å
21R89.6Confident88.9Confident141 Ų14157.2 Ų57.253%0.53231%0.307SS..  trans-62154156.469.9176.9-151.5-131.1-0.2109.7D23 F77R21-D23 WeakPolarHBondContact CD-OD1 3.48Å; R21-D23 WeakPolarHBondContact CG-OD1 3.27Å; R21-D23 IonicContact CZ-OD1 2.9Å; R21-D23 IonicContact CZ-OD2 2.73Å; R21-D23 IonicContact NE-OD1 3.58Å; R21-D23 PolarHBondContact NE-OD1 2.76Å; R21-D23 IonicContact NE-OD2 2.82Å; R21-D23 PolarHBondContact NE-OD2 3.4Å; R21-D23 IonicContact NH2-OD1 3.96Å; R21-D23 IonicContact NH2-OD2 3.86Å; R21-D23 PolarHBondContact NH2-OD2 2.97Å; R21-F77 WeakPolarHBondContact CA-O 3.28Å
22V92.3Very high88.8Confident3 Ų351.2 Ų51.22%0.01828%0.275CS..EExtended strand (participates in β ladder)trans-118.1119.3172.1172.70000109.8Y16 F77 L82 F92 F110Y16-V22 HydrophobicContact CD1-CB 4.26Å; Y16-V22 HydrophobicContact CD1-CG1 3.58Å; Y16-V22 HydrophobicContact CD1-CG2 3.73Å; Y16-V22 HydrophobicContact CD2-CG1 4.3Å; Y16-V22 HydrophobicContact CE1-CG1 3.55Å; Y16-V22 HydrophobicContact CE2-CG1 4.28Å; Y16-V22 HydrophobicContact CG-CG1 3.96Å; Y16-V22 HydrophobicContact CG-CG2 3.83Å; V22-F77 HydrophobicContact CB-CB 4.37Å; V22-F77 PolarHBondContact N-O 3.11Å; V22-F77 PolarHBondContact O-N 2.71Å; V22-L82 HydrophobicContact CB-CD1 4.44Å; V22-L82 HydrophobicContact CG2-CD1 3.69Å; V22-L82 HydrophobicContact CG2-CD2 4.47Å; V22-F92 HydrophobicContact CG1-CZ 3.79Å; V22-F110 HydrophobicContact CG2-CE1 4.23Å
23D93.3Very high88.6Confident47 Ų4752.5 Ų52.525%0.25129%0.285SS..EExtended strand (participates in β ladder)trans-91.4106.5-177-60.23.3000107.4R21 H76R21-D23 WeakPolarHBondContact CD-OD1 3.48Å; R21-D23 WeakPolarHBondContact CG-OD1 3.27Å; R21-D23 IonicContact CZ-OD1 2.9Å; R21-D23 IonicContact CZ-OD2 2.73Å; R21-D23 IonicContact NE-OD1 3.58Å; R21-D23 PolarHBondContact NE-OD1 2.76Å; R21-D23 IonicContact NE-OD2 2.82Å; R21-D23 PolarHBondContact NE-OD2 3.4Å; R21-D23 IonicContact NH2-OD1 3.96Å; R21-D23 IonicContact NH2-OD2 3.86Å; R21-D23 PolarHBondContact NH2-OD2 2.97Å; D23-H76 IonicContact OD1-CD2 3.82Å; D23-H76 PolarHBondContact OD1-CD2 3.17Å
24C93.7Very high88.7Confident2 Ų254.5 Ų54.51%0.01428%0.284CS..EExtended strand (participates in β ladder)trans-98.5105.7-173.5-175.80000109.5C74 V75 F77 F92C24-C74 WeakPolarHBondContact O-CA 3.45Å; C24-V75 HydrophobicContact CB-CG2 3.92Å; C24-V75 WeakPolarHBondContact CB-O 3.43Å; C24-V75 PolarHBondContact N-O 2.91Å; C24-V75 PolarHBondContact O-N 3.49Å; C24-F77 HydrophobicContact CB-CD2 4.03Å; C24-F77 HydrophobicContact CB-CE2 3.88Å; C24-F92 HydrophobicContact CB-CE1 4.37Å; C24-F92 HydrophobicContact CB-CE2 4.31Å; C24-F92 HydrophobicContact CB-CZ 4.17Å; C24-F92 VanDerWaalsContact SG-CD2 3.57Å
25H94.6Very high88.9Confident70 Ų7052.2 Ų52.232%0.32427%0.266SS..EExtended strand (participates in β ladder)trans-92.9141.2180-60.9-82000111.5R10 C73 C74R10-H25 HydrophobicContact CB-CB 4.09Å; R10-H25 PolarHBondContact N-O 3.19Å; H25-C73 WeakPolarHBondContact CA-O 3.5Å; H25-C74 VanDerWaalsContact CE1-SG 3.52Å
26Y94Very high88.9Confident1 Ų154.9 Ų54.90%0.00428%0.283CS..EExtended strand (participates in β ladder)trans-151154.2173.857.8-82.7000111.3V7 E8 L28 I40 L60 C73 V75 Y94V7-Y26 HydrophobicContact CG1-CD2 3.77Å; V7-Y26 HydrophobicContact CG1-CG 4.25Å; E8-Y26 CarbonylContact O-C 3.57Å; E8-Y26 VanDerWaalsContact O-CA 3.24Å; E8-Y26 WeakPolarHBondContact O-CA 3.47Å; E8-Y26 WeakPolarHBondContact O-CB 3.42Å; Y26-L28 HydrophobicContact CD2-CD2 4.07Å; Y26-L28 HydrophobicContact CD2-CG 4.29Å; Y26-L28 HydrophobicContact CE2-CD2 3.89Å; Y26-L28 HydrophobicContact CE2-CG 4.09Å; Y26-I40 HydrophobicContact CD1-CD1 3.46Å; Y26-I40 VanDerWaalsContact CD1-CD1 3.46Å; Y26-I40 HydrophobicContact CE1-CD1 3.18Å; Y26-I40 HydrophobicContact CE2-CD1 4.34Å; Y26-I40 HydrophobicContact CG-CD1 4.16Å; Y26-L60 PolarHBondContact OH-N 3.4Å; Y26-L60 PolarHBondContact OH-O 3.38Å; Y26-C73 HydrophobicContact CD1-CB 4.28Å; Y26-C73 HydrophobicContact CD2-CB 3.81Å; Y26-C73 HydrophobicContact CE1-CB 3.84Å; Y26-C73 HydrophobicContact CE2-CB 3.32Å; Y26-C73 HydrophobicContact CG-CB 4.26Å; Y26-C73 PolarHBondContact N-O 3.43Å; Y26-C73 VanDerWaalsContact N-O 3.12Å; Y26-C73 PolarHBondContact O-N 2.86Å; Y26-V75 HydrophobicContact CE1-CG1 4.01Å; Y26-V75 HydrophobicContact CE1-CG2 4.03Å; Y26-Y94 HydrophobicContact CD2-CD2 4.45Å; Y26-Y94 HydrophobicContact CD2-CE2 4.22Å; Y26-Y94 HydrophobicContact CE2-CD2 4.46Å; Y26-Y94 AromaticContact CE2-CE2 3.86Å; Y26-Y94 HydrophobicContact CE2-CE2 3.86Å
27T92.3Very high89Confident0 Ų055.7 Ų55.70%029%0.293CS..EExtended strand (participates in β ladder)trans-106.6125.4172.6-47.70000108.7W5 V7 E8 R10 E70 V71 N72W5-T27 HydrophobicContact CH2-CG2 4.06Å; W5-T27 HydrophobicContact CZ3-CG2 4.3Å; V7-T27 WeakPolarHBondContact CA-O 3.48Å; V7-T27 WeakPolarHBondContact CG1-O 3.33Å; E8-T27 PolarHBondContact N-O 3.47Å; E8-T27 PolarHBondContact O-N 3.31Å; R10-T27 VanDerWaalsContact CG-OG1 3.28Å; R10-T27 WeakPolarHBondContact CG-OG1 2.99Å; R10-T27 PolarHBondContact NE-OG1 3Å; T27-E70 HydrophobicContact CG2-CG 3.45Å; T27-E70 VanDerWaalsContact CG2-CG 3.45Å; T27-E70 WeakPolarHBondContact CG2-OE1 3.46Å; T27-V71 WeakPolarHBondContact CA-O 3.18Å; T27-N72 WeakPolarHBondContact CG2-OD1 3.48Å; T27-N72 PolarHBondContact OG1-OD1 3.11Å
28L91.8Very high89.3Confident0 Ų051 Ų510%027%0.273CS..EExtended strand (participates in β ladder)trans-80.7131.1165.6-62.2175.2000108.1V7 Y26 W34 Y65 E70 V71 Y94V7-L28 HydrophobicContact CG1-CD2 4.2Å; V7-L28 HydrophobicContact CG2-CD2 3.75Å; Y26-L28 HydrophobicContact CD2-CD2 4.07Å; Y26-L28 HydrophobicContact CD2-CG 4.29Å; Y26-L28 HydrophobicContact CE2-CD2 3.89Å; Y26-L28 HydrophobicContact CE2-CG 4.09Å; L28-W34 HydrophobicContact CD1-CB 3.74Å; L28-W34 HydrophobicContact CD1-CG 4.38Å; L28-Y65 HydrophobicContact CD1-CD2 4.48Å; L28-Y65 HydrophobicContact CD1-CE2 3.97Å; L28-E70 WeakPolarHBondContact O-CA 3.4Å; L28-V71 PolarHBondContact N-O 3.02Å; L28-V71 PolarHBondContact O-N 3.5Å; L28-V71 VanDerWaalsContact O-N 3.09Å; L28-Y94 HydrophobicContact CD2-CE2 4.05Å
29S89.7Confident89.9Confident4 Ų452.1 Ų52.13%0.02828%0.275CS..  trans-84.2162.9175.785.40000111.7W5 R6 Q31 H32W5-S29 VanDerWaalsContact CZ3-CB 3.5Å; W5-S29 VanDerWaalsContact O-CB 3.27Å; W5-S29 WeakPolarHBondContact O-CB 3.45Å; W5-S29 PolarHBondContact O-OG 3.46Å; R6-S29 PolarHBondContact O-N 3.48Å; R6-S29 VanDerWaalsContact O-N 3.09Å; R6-S29 PolarHBondContact O-OG 3.23Å; S29-Q31 PolarHBondContact O-N 3.18Å; S29-Q31 PolarHBondContact OG-N 3.45Å; S29-Q31 VanDerWaalsContact OG-N 3.17Å; S29-H32 PolarHBondContact O-N 3.36Å; S29-H32 VanDerWaalsContact O-N 3.08Å
30S85.6Confident90.7Very high69 Ų6943.3 Ų43.348%0.48323%0.234SC..THydrogen-bonded Turntrans-60.5-1.6171.454.10000114.9G68S30-G68 WeakPolarHBondContact CB-O 3.34Å
31Q83.3Confident91.2Very high131 Ų13140.7 Ų40.761%0.61222%0.216SC*.THydrogen-bonded Turntrans-110.25.4179.3-56-18048.600112.9A4 S29A4-Q31 VanDerWaalsContact CB-OE1 3.3Å; S29-Q31 PolarHBondContact O-N 3.18Å; S29-Q31 PolarHBondContact OG-N 3.45Å; S29-Q31 VanDerWaalsContact OG-N 3.17Å
32H86.8Confident91.5Very high12 Ų1234 Ų346%0.05619%0.19CC..  trans-127.9117.9175.2-17492.5000111.2R6 S29 D38 Y65 Y94R6-H32 HydrophobicContact CB-CB 4.04Å; R6-H32 HydrophobicContact CG-CB 4.49Å; R6-H32 VanDerWaalsContact O-CB 3.25Å; R6-H32 WeakPolarHBondContact O-CB 3.3Å; S29-H32 PolarHBondContact O-N 3.36Å; S29-H32 VanDerWaalsContact O-N 3.08Å; H32-D38 IonicContact CE1-OD2 2.78Å; H32-D38 IonicContact NE2-OD2 3.21Å; H32-D38 PolarHBondContact NE2-OD2 3.08Å; H32-Y65 PolarHBondContact O-OH 3.2Å; H32-Y65 VanDerWaalsContact O-OH 3.12Å; H32-Y94 AromaticContact CE1-CE1 3.93Å; H32-Y94 AromaticContact NE2-CE1 3.72Å; H32-Y94 AromaticContact NE2-CZ 3.99Å
33S86.6Confident91.7Very high57 Ų5733.8 Ų33.840%0.39919%0.189SC..  trans-83.2120.7166.76.20000110.9E67S33-E67 WeakPolarHBondContact CB-OE1 3.48Å; S33-E67 PolarHBondContact OG-OE1 3.09Å
34W90.4Very high91.7Very high71 Ų7136 Ų3627%0.26920%0.196SC..  trans-69.8140173.3166.582.8000111.7L28 A59 A61 Y65L28-W34 HydrophobicContact CD1-CB 3.74Å; L28-W34 HydrophobicContact CD1-CG 4.38Å; W34-A59 PolarHBondContact NE1-O 3.01Å; W34-A61 HydrophobicContact CB-CB 4.47Å; W34-A61 HydrophobicContact CD2-CB 3.63Å; W34-A61 HydrophobicContact CE3-CB 3.68Å; W34-A61 HydrophobicContact CG-CB 3.99Å; W34-A61 HydrophobicContact CZ3-CB 4.16Å; W34-Y65 HydrophobicContact CB-CE1 4.26Å; W34-Y65 PolarHBondContact N-OH 3.49Å
35V89.3Confident91.7Very high64 Ų6438.8 Ų38.839%0.38821%0.214SC..  trans-122.9146.4171.3-172.50000108.9S37 D38 A97V35-S37 PolarHBondContact O-N 2.7Å; V35-D38 PolarHBondContact N-OD2 3.46Å; V35-D38 VanDerWaalsContact O-CB 3.27Å; V35-D38 WeakPolarHBondContact O-CB 3.27Å; V35-D38 PolarHBondContact O-N 3.12Å; V35-A97 HydrophobicContact CB-CB 4.07Å; V35-A97 HydrophobicContact CG1-CB 4.13Å; V35-A97 HydrophobicContact CG2-CB 4.35Å
36S88.8Confident91.4Very high91 Ų9138.6 Ų38.664%0.63623%0.231SC*.THydrogen-bonded Turntrans-64.8-2.9-179.855.60000115.6
37S90.9Very high91.3Very high52 Ų5241.1 Ų41.136%0.36424%0.24SC..THydrogen-bonded Turntrans-108.73.9171.659.20000113.6V35 W58 A97V35-S37 PolarHBondContact O-N 2.7Å; S37-W58 WeakPolarHBondContact O-CZ3 3.34Å; S37-A97 WeakPolarHBondContact OG-CB 3.42Å
38D94.5Very high91Very high1 Ų146.5 Ų46.51%0.00528%0.278CS..  trans-67.7146.8164.3-702.7000108.8H32 V35 A59 Y94 V95 D96 A97H32-D38 IonicContact CE1-OD2 2.78Å; H32-D38 IonicContact NE2-OD2 3.21Å; H32-D38 PolarHBondContact NE2-OD2 3.08Å; V35-D38 PolarHBondContact N-OD2 3.46Å; V35-D38 VanDerWaalsContact O-CB 3.27Å; V35-D38 WeakPolarHBondContact O-CB 3.27Å; V35-D38 PolarHBondContact O-N 3.12Å; D38-A59 HydrophobicContact CB-CB 3.92Å; D38-A59 PolarHBondContact O-N 3.12Å; D38-Y94 HydrophobicContact CB-CE1 3.85Å; D38-Y94 VanDerWaalsContact CB-OH 3.28Å; D38-Y94 WeakPolarHBondContact CB-OH 3.39Å; D38-Y94 WeakPolarHBondContact OD2-CE1 3.5Å; D38-Y94 PolarHBondContact OD2-OH 3.38Å; D38-V95 WeakPolarHBondContact CA-O 3.28Å; D38-D96 WeakPolarHBondContact OD1-CA 3.31Å; D38-A97 PolarHBondContact OD1-N 3.35Å
39W95.4Very high91Very high38 Ų3849 Ų4914%0.14430%0.295CS..EExtended strand (participates in β ladder)trans-145.5155.8-177.559.3-79.3000112.9F43 Y53 F56 V57 W58 V95W39-F43 HydrophobicContact CH2-CE2 4.34Å; W39-F43 HydrophobicContact CH2-CZ 4.01Å; W39-F43 HydrophobicContact CZ3-CE2 4.11Å; W39-F43 HydrophobicContact CZ3-CZ 4.19Å; W39-Y53 HydrophobicContact CH2-CD1 4.03Å; W39-Y53 HydrophobicContact CZ3-CD1 4.17Å; W39-F56 HydrophobicContact CB-CD2 4.32Å; W39-F56 HydrophobicContact CE3-CB 3.7Å; W39-F56 HydrophobicContact CE3-CD2 4.33Å; W39-F56 HydrophobicContact CE3-CG 4.29Å; W39-F56 HydrophobicContact CZ3-CB 3.99Å; W39-V57 WeakPolarHBondContact CA-O 3.47Å; W39-V57 WeakPolarHBondContact CB-O 3.35Å; W39-W58 HydrophobicContact CB-CE3 3.89Å; W39-W58 HydrophobicContact CB-CZ3 4.2Å; W39-W58 HydrophobicContact CG-CZ3 4.45Å; W39-V95 HydrophobicContact CD2-CB 4.03Å; W39-V95 HydrophobicContact CD2-CG2 4.33Å; W39-V95 HydrophobicContact CE3-CG2 4.48Å; W39-V95 HydrophobicContact CG-CB 4.36Å; W39-V95 HydrophobicContact CH2-CG2 4.12Å; W39-V95 HydrophobicContact CZ2-CB 3.99Å; W39-V95 HydrophobicContact CZ2-CG1 3.93Å; W39-V95 HydrophobicContact CZ2-CG2 3.9Å; W39-V95 HydrophobicContact CZ3-CG2 4.4Å; W39-V95 PolarHBondContact N-O 3.06Å; W39-V95 PolarHBondContact O-N 3.04Å
40I96.8Very high90.9Very high0 Ų051 Ų510%031%0.306CS..EExtended strand (participates in β ladder)trans-114.3115.4175.6-63.4164.3000107.7F9 Y26 F56 V57 A59 V75 F77 F92 I93 Y94F9-I40 HydrophobicContact CE1-CD1 4.15Å; F9-I40 HydrophobicContact CE1-CG1 4.41Å; F9-I40 HydrophobicContact CE1-CG2 3.89Å; F9-I40 HydrophobicContact CZ-CG1 4.46Å; F9-I40 HydrophobicContact CZ-CG2 3.99Å; Y26-I40 HydrophobicContact CD1-CD1 3.46Å; Y26-I40 VanDerWaalsContact CD1-CD1 3.46Å; Y26-I40 HydrophobicContact CE1-CD1 3.18Å; Y26-I40 HydrophobicContact CE2-CD1 4.34Å; Y26-I40 HydrophobicContact CG-CD1 4.16Å; I40-F56 WeakPolarHBondContact O-CA 3.48Å; I40-V57 HydrophobicContact CB-CG2 4.36Å; I40-V57 PolarHBondContact N-O 3.04Å; I40-V57 PolarHBondContact O-N 2.89Å; I40-A59 HydrophobicContact CD1-CB 4.49Å; I40-V75 HydrophobicContact CD1-CG2 3.85Å; I40-F77 HydrophobicContact CG2-CE2 4.27Å; I40-F77 HydrophobicContact CG2-CZ 4.03Å; I40-F77 WeakPolarHBondContact O-CZ 3.29Å; I40-F92 HydrophobicContact CG2-CB 4.11Å; I40-F92 HydrophobicContact CG2-CD1 4.32Å; I40-I93 VanDerWaalsContact CA-O 3.32Å; I40-I93 WeakPolarHBondContact CA-O 3.37Å; I40-Y94 HydrophobicContact CD1-CD2 3.87Å; I40-Y94 HydrophobicContact CD1-CE2 4.27Å; I40-Y94 HydrophobicContact CG1-CD2 3.62Å; I40-Y94 HydrophobicContact CG1-CE2 4.24Å; I40-Y94 HydrophobicContact CG1-CG 4.27Å
41G95.7Very high91.1Very high0 Ų056.2 Ų56.20%032%0.319CS..EExtended strand (participates in β ladder)trans-92.8143.4173.800000111.4F92 I93G41-F92 WeakPolarHBondContact O-CA 3.36Å; G41-I93 PolarHBondContact N-O 3.5Å; G41-I93 PolarHBondContact O-N 3.37Å
42L95.9Very high91.5Very high0 Ų053.6 Ų53.60%031%0.309CS..EExtended strand (participates in β ladder)trans-89.9114.6161.1-179.665.8000107.8E54 T55 F77 L82 P83 Y90 F92 F108 F110L42-E54 PolarHBondContact O-N 3.42Å; L42-T55 HydrophobicContact CB-CG2 3.82Å; L42-T55 HydrophobicContact CD2-CG2 3.89Å; L42-T55 HydrophobicContact CG-CG2 4.47Å; L42-T55 PolarHBondContact N-O 3.24Å; L42-F77 HydrophobicContact CB-CE1 4.04Å; L42-F77 HydrophobicContact CB-CZ 4.49Å; L42-L82 HydrophobicContact CD2-CD2 4.18Å; L42-P83 VanDerWaalsContact CD2-CD 3.49Å; L42-P83 HydrophobicContact CD2-CG 3.93Å; L42-Y90 HydrophobicContact CG-CD1 4.35Å; L42-F92 HydrophobicContact CD1-CD1 4.05Å; L42-F92 HydrophobicContact CD1-CE1 3.87Å; L42-F108 HydrophobicContact CD1-CE2 3.73Å; L42-F108 HydrophobicContact CD1-CZ 3.5Å; L42-F108 VanDerWaalsContact CD1-CZ 3.5Å; L42-F110 HydrophobicContact CD1-CE2 4.35Å; L42-F110 HydrophobicContact CD1-CZ 4.45Å; L42-F110 HydrophobicContact CD2-CE2 3.99Å; L42-F110 HydrophobicContact CD2-CZ 3.92Å
43F95.8Very high91.8Very high0 Ų057.9 Ų57.90%033%0.326CS..EExtended strand (participates in β ladder)trans-113.5145.1-179.8-73.9-97.7000110.7W39 W47 L50 Y90 E91 I93W39-F43 HydrophobicContact CH2-CE2 4.34Å; W39-F43 HydrophobicContact CH2-CZ 4.01Å; W39-F43 HydrophobicContact CZ3-CE2 4.11Å; W39-F43 HydrophobicContact CZ3-CZ 4.19Å; F43-W47 HydrophobicContact CB-CG 4.13Å; F43-W47 HydrophobicContact CD1-CB 3.97Å; F43-W47 AromaticContact CD1-CD2 3.97Å; F43-W47 HydrophobicContact CD1-CD2 3.97Å; F43-W47 HydrophobicContact CD1-CE3 4.34Å; F43-W47 AromaticContact CD1-CG 3.78Å; F43-W47 HydrophobicContact CD1-CG 3.78Å; F43-W47 HydrophobicContact CE1-CD2 4.41Å; F43-W47 HydrophobicContact CE1-CE3 4.33Å; F43-W47 HydrophobicContact CG-CG 4.28Å; F43-L50 HydrophobicContact CZ-CD2 4.02Å; F43-Y90 CarbonylContact O-C 3.56Å; F43-Y90 WeakPolarHBondContact O-CA 3.41Å; F43-Y90 WeakPolarHBondContact O-CB 3.38Å; F43-E91 HydrophobicContact CB-CG 4.27Å; F43-E91 PolarHBondContact N-O 2.86Å; F43-E91 PolarHBondContact O-N 2.72Å; F43-I93 HydrophobicContact CB-CD1 3.79Å; F43-I93 HydrophobicContact CB-CG1 4.27Å; F43-I93 HydrophobicContact CD1-CD1 4.49Å; F43-I93 HydrophobicContact CD2-CB 3.71Å; F43-I93 HydrophobicContact CD2-CD1 3.52Å; F43-I93 HydrophobicContact CD2-CG1 3.6Å; F43-I93 HydrophobicContact CE2-CB 3.88Å; F43-I93 HydrophobicContact CE2-CD1 4.16Å; F43-I93 HydrophobicContact CE2-CG1 4.25Å; F43-I93 HydrophobicContact CE2-CG2 4.45Å; F43-I93 HydrophobicContact CG-CD1 3.69Å; F43-I93 HydrophobicContact CG-CG1 4.2Å
44K94.4Very high92Very high92 Ų9260.3 Ų60.340%0.433%0.331SS..EExtended strand (participates in β ladder)trans-76.4133.7166.7-179.5-178.8172.5178.70109.2G46 W47 L88 Y90K44-G46 PolarHBondContact O-N 3.17Å; K44-W47 PolarHBondContact O-N 3.25Å; K44-L88 HydrophobicContact CD-CD1 4.33Å; K44-Y90 HydrophobicContact CB-CD1 4.03Å; K44-Y90 HydrophobicContact CB-CE1 3.8Å; K44-Y90 HydrophobicContact CG-CE1 4.27Å
45V93.4Very high92.2Very high62 Ų6257.8 Ų57.838%0.37632%0.323SS..THydrogen-bonded Turntrans-57.6129.1178.9175.90000110.3E89 E91 T107V45-E89 HydrophobicContact CB-CB 4.2Å; V45-E89 HydrophobicContact CG2-CB 3.77Å; V45-E89 WeakPolarHBondContact CG2-O 3.42Å; V45-E89 PolarHBondContact N-O 3.48Å; V45-E91 HydrophobicContact CG2-CG 4.48Å; V45-T107 HydrophobicContact CG2-CG2 3.54Å
46G88.4Confident92.5Very high66 Ų6658.2 Ų58.268%0.6832%0.32SS*.THydrogen-bonded Turntrans996.7-174.200000115.6K44K44-G46 PolarHBondContact O-N 3.17Å
47W91.2Very high92.8Very high53 Ų5355.2 Ų55.220%0.20130%0.298CS..  trans-52.8152.7167.663.8-85.2000112.8F43 K44 L50 D52 E91 I93 V101 R104F43-W47 HydrophobicContact CB-CG 4.13Å; F43-W47 HydrophobicContact CD1-CB 3.97Å; F43-W47 AromaticContact CD1-CD2 3.97Å; F43-W47 HydrophobicContact CD1-CD2 3.97Å; F43-W47 HydrophobicContact CD1-CE3 4.34Å; F43-W47 AromaticContact CD1-CG 3.78Å; F43-W47 HydrophobicContact CD1-CG 3.78Å; F43-W47 HydrophobicContact CE1-CD2 4.41Å; F43-W47 HydrophobicContact CE1-CE3 4.33Å; F43-W47 HydrophobicContact CG-CG 4.28Å; K44-W47 PolarHBondContact O-N 3.25Å; W47-L50 HydrophobicContact CH2-CD2 4.34Å; W47-L50 HydrophobicContact CZ3-CD2 4.07Å; W47-D52 HydrophobicContact CB-CB 3.92Å; W47-E91 PolarHBondContact NE1-OE1 2.95Å; W47-I93 HydrophobicContact CD2-CD1 4.3Å; W47-I93 HydrophobicContact CH2-CD1 4.3Å; W47-I93 HydrophobicContact CZ2-CD1 3.34Å; W47-V101 HydrophobicContact CH2-CG2 4.22Å; W47-R104 VanDerWaalsContact NE1-NH2 3.19Å
48S87Confident93.1Very high114 Ų11459.3 Ų59.380%0.79731%0.306SS*.  trans-126.7-13-177.6-66.20000113.9D52S48-D52 PolarHBondContact N-OD2 3.35Å
49S90.8Very high93Very high51 Ų5159.3 Ų59.336%0.35731%0.306SS..SBendtrans-136.3151.8175.8-1630000111.3K51 D52S49-K51 PolarHBondContact O-N 3.22Å; S49-D52 PolarHBondContact N-OD2 3.48Å; S49-D52 WeakPolarHBondContact O-CB 3.49Å; S49-D52 VanDerWaalsContact O-CG 3.32Å; S49-D52 PolarHBondContact O-N 2.75Å
50L88.6Confident92.8Very high48 Ų4862.1 Ų62.125%0.25132%0.323SS..THydrogen-bonded Turntrans-65.6-2.5169-67.6178.6000113.5F43 W47 Y53 V95 G99 V101F43-L50 HydrophobicContact CZ-CD2 4.02Å; W47-L50 HydrophobicContact CH2-CD2 4.34Å; W47-L50 HydrophobicContact CZ3-CD2 4.07Å; L50-Y53 WeakPolarHBondContact O-CD1 3.38Å; L50-V95 HydrophobicContact CD1-CG1 4.16Å; L50-V95 HydrophobicContact CD2-CG2 4Å; L50-G99 VanDerWaalsContact CD1-O 3.23Å; L50-G99 WeakPolarHBondContact CD1-O 3.5Å; L50-V101 HydrophobicContact CD2-CG2 3.79Å
51K88.4Confident92.3Very high178 Ų17863.2 Ų63.277%0.77433%0.332SS*.THydrogen-bonded Turntrans-88.4-7.1169.9-63.3-176.6179.1-179.10113.5S49 Y53S49-K51 PolarHBondContact O-N 3.22Å; K51-Y53 VanDerWaalsContact C-N 3.26Å; K51-Y53 PolarHBondContact O-N 3.03Å
52D91.8Very high91.8Very high75 Ų7565.4 Ų65.440%0.40135%0.346SS..  trans-91.625.6-176.3-49.9-17.2000112.1W47 S48 S49W47-D52 HydrophobicContact CB-CB 3.92Å; S48-D52 PolarHBondContact N-OD2 3.35Å; S49-D52 PolarHBondContact N-OD2 3.48Å; S49-D52 WeakPolarHBondContact O-CB 3.49Å; S49-D52 VanDerWaalsContact O-CG 3.32Å; S49-D52 PolarHBondContact O-N 2.75Å
53Y93.1Very high91.1Very high103 Ų10371 Ų7140%0.40439%0.392SS..EExtended strand (participates in β ladder)trans-73.6145.2175.564.9-104.7000110.7W39 L50 K51 F56W39-Y53 HydrophobicContact CH2-CD1 4.03Å; W39-Y53 HydrophobicContact CZ3-CD1 4.17Å; L50-Y53 WeakPolarHBondContact O-CD1 3.38Å; K51-Y53 VanDerWaalsContact C-N 3.26Å; K51-Y53 PolarHBondContact O-N 3.03Å; Y53-F56 HydrophobicContact CD2-CD1 4.28Å; Y53-F56 AromaticContact CE2-CD1 3.7Å; Y53-F56 HydrophobicContact CE2-CD1 3.7Å; Y53-F56 HydrophobicContact CE2-CE1 4.33Å; Y53-F56 AromaticContact CZ-CD1 3.88Å
54E92.4Very high90.4Very high107 Ų10776.9 Ų76.950%0.542%0.424SS..EExtended strand (participates in β ladder)trans-80.1-43.5170.6-168.393.9-161.100110L42 P83L42-E54 PolarHBondContact O-N 3.42Å; E54-P83 HydrophobicContact CG-CG 4.09Å
55T93.6Very high89.8Confident18 Ų1874.4 Ų74.411%0.1141%0.412CS..EExtended strand (participates in β ladder)trans-156.1164.1175.4-1760000110L42 F77 Y81L42-T55 HydrophobicContact CB-CG2 3.82Å; L42-T55 HydrophobicContact CD2-CG2 3.89Å; L42-T55 HydrophobicContact CG-CG2 4.47Å; L42-T55 PolarHBondContact N-O 3.24Å; T55-F77 HydrophobicContact CG2-CD1 3.76Å; T55-F77 HydrophobicContact CG2-CE1 4.02Å; T55-Y81 VanDerWaalsContact CG2-O 3.24Å; T55-Y81 WeakPolarHBondContact CG2-O 3.27Å
56F95.5Very high89.3Confident73 Ų7377.3 Ų77.332%0.3242%0.422SS..EExtended strand (participates in β ladder)trans-144.1159.5177.979.4-79.5000112.2W39 I40 Y53 W58W39-F56 HydrophobicContact CB-CD2 4.32Å; W39-F56 HydrophobicContact CE3-CB 3.7Å; W39-F56 HydrophobicContact CE3-CD2 4.33Å; W39-F56 HydrophobicContact CE3-CG 4.29Å; W39-F56 HydrophobicContact CZ3-CB 3.99Å; I40-F56 WeakPolarHBondContact O-CA 3.48Å; Y53-F56 HydrophobicContact CD2-CD1 4.28Å; Y53-F56 AromaticContact CE2-CD1 3.7Å; Y53-F56 HydrophobicContact CE2-CD1 3.7Å; Y53-F56 HydrophobicContact CE2-CE1 4.33Å; Y53-F56 AromaticContact CZ-CD1 3.88Å; F56-W58 HydrophobicContact CE2-CD2 4.39Å; F56-W58 AromaticContact CE2-CE2 3.9Å; F56-W58 HydrophobicContact CE2-CH2 4.41Å; F56-W58 AromaticContact CE2-CZ2 3.93Å; F56-W58 HydrophobicContact CE2-CZ2 3.93Å; F56-W58 HydrophobicContact CZ-CZ2 4.49Å
57V96Very high88.8Confident29 Ų2981.3 Ų81.318%0.17642%0.423CS..EExtended strand (participates in β ladder)trans-134.8147.1168.9-63.10000109.4W39 I40 V75 F77W39-V57 WeakPolarHBondContact CA-O 3.47Å; W39-V57 WeakPolarHBondContact CB-O 3.35Å; I40-V57 HydrophobicContact CB-CG2 4.36Å; I40-V57 PolarHBondContact N-O 3.04Å; I40-V57 PolarHBondContact O-N 2.89Å; V57-V75 HydrophobicContact CG2-CB 3.77Å; V57-V75 HydrophobicContact CG2-CG1 4.48Å; V57-V75 HydrophobicContact CG2-CG2 3.49Å; V57-V75 VanDerWaalsContact CG2-CG2 3.49Å; V57-F77 HydrophobicContact CG1-CD1 4Å; V57-F77 HydrophobicContact CG1-CE1 4.06Å; V57-F77 HydrophobicContact CG1-CG 4.35Å; V57-F77 HydrophobicContact CG1-CZ 4.44Å; V57-F77 HydrophobicContact CG2-CD2 4.41Å; V57-F77 HydrophobicContact CG2-CE1 4.08Å; V57-F77 HydrophobicContact CG2-CE2 3.83Å; V57-F77 HydrophobicContact CG2-CZ 3.66Å
58W96Very high88.2Confident138 Ų13880.7 Ų80.752%0.52343%0.433SS..EExtended strand (participates in β ladder)trans-65.4139170.4-60.1108.4000109.9S37 W39 F56S37-W58 WeakPolarHBondContact O-CZ3 3.34Å; W39-W58 HydrophobicContact CB-CE3 3.89Å; W39-W58 HydrophobicContact CB-CZ3 4.2Å; W39-W58 HydrophobicContact CG-CZ3 4.45Å; F56-W58 HydrophobicContact CE2-CD2 4.39Å; F56-W58 AromaticContact CE2-CE2 3.9Å; F56-W58 HydrophobicContact CE2-CH2 4.41Å; F56-W58 AromaticContact CE2-CZ2 3.93Å; F56-W58 HydrophobicContact CE2-CZ2 3.93Å; F56-W58 HydrophobicContact CZ-CZ2 4.49Å
59A93.1Very high87.9Confident1 Ų178.2 Ų78.21%0.00841%0.413CS..  trans-69.3139.7174.700000109.2W34 D38 I40 Y94W34-A59 PolarHBondContact NE1-O 3.01Å; D38-A59 HydrophobicContact CB-CB 3.92Å; D38-A59 PolarHBondContact O-N 3.12Å; I40-A59 HydrophobicContact CD1-CB 4.49Å; A59-Y94 HydrophobicContact CB-CE2 3.73Å
60L90.5Very high87.8Confident97 Ų9781.3 Ų81.351%0.50842%0.422SS..  trans-118.7139.8179.2-59.6177.5000110.2Y26 C73 V75Y26-L60 PolarHBondContact OH-N 3.4Å; Y26-L60 PolarHBondContact OH-O 3.38Å; L60-C73 WeakPolarHBondContact O-CB 3.42Å; L60-V75 HydrophobicContact CB-CG1 4.11Å; L60-V75 HydrophobicContact CD1-CG1 4.28Å; L60-V75 HydrophobicContact CG-CG1 3.99Å
61A86.9Confident87.9Confident22 Ų2280.2 Ų80.218%0.18242%0.417CS..  trans-108.7153.6166.200000110.1W34 Y65W34-A61 HydrophobicContact CB-CB 4.47Å; W34-A61 HydrophobicContact CD2-CB 3.63Å; W34-A61 HydrophobicContact CE3-CB 3.68Å; W34-A61 HydrophobicContact CG-CB 3.99Å; W34-A61 HydrophobicContact CZ3-CB 4.16Å; A61-Y65 HydrophobicContact CB-CD1 4.33Å; A61-Y65 HydrophobicContact CB-CD2 4.22Å; A61-Y65 HydrophobicContact CB-CG 3.89Å
62P85.6Confident88Confident46 Ų4677.2 Ų77.230%0.29941%0.409SS..  trans-55.6152.5169.1-28.438.1000113.1D64 Y65 V71P62-D64 WeakPolarHBondContact CB-OD1 3.48Å; P62-D64 PolarHBondContact O-N 2.9Å; P62-D64 VanDerWaalsContact O-N 3.11Å; P62-Y65 VanDerWaalsContact O-CB 3.25Å; P62-Y65 WeakPolarHBondContact O-CB 3.28Å; P62-Y65 PolarHBondContact O-N 3.13Å; P62-V71 HydrophobicContact CG-CG1 3.57Å
63A81.1Confident88Confident118 Ų11874 Ų7498%0.97539%0.393SS*.THydrogen-bonded Turntrans-66.2-14.2-174.800000114.3
64D80.6Confident88Confident124 Ų12470.9 Ų70.966%0.66339%0.385SS*.THydrogen-bonded Turntrans-102.82.4178.159-41.7000113.7P62 Q66P62-D64 WeakPolarHBondContact CB-OD1 3.48Å; P62-D64 PolarHBondContact O-N 2.9Å; P62-D64 VanDerWaalsContact O-N 3.11Å; D64-Q66 PolarHBondContact O-N 2.84Å; D64-Q66 PolarHBondContact O-NE2 2.99Å
65Y82.6Confident88Confident40 Ų4065.9 Ų65.916%0.15736%0.362CS..  trans-50.4132.9-179.6174.6-98.9000113.1L28 H32 W34 A61 P62 V71L28-Y65 HydrophobicContact CD1-CD2 4.48Å; L28-Y65 HydrophobicContact CD1-CE2 3.97Å; H32-Y65 PolarHBondContact O-OH 3.2Å; H32-Y65 VanDerWaalsContact O-OH 3.12Å; W34-Y65 HydrophobicContact CB-CE1 4.26Å; W34-Y65 PolarHBondContact N-OH 3.49Å; A61-Y65 HydrophobicContact CB-CD1 4.33Å; A61-Y65 HydrophobicContact CB-CD2 4.22Å; A61-Y65 HydrophobicContact CB-CG 3.89Å; P62-Y65 VanDerWaalsContact O-CB 3.25Å; P62-Y65 WeakPolarHBondContact O-CB 3.28Å; P62-Y65 PolarHBondContact O-N 3.13Å; Y65-V71 HydrophobicContact CD2-CB 4.09Å; Y65-V71 HydrophobicContact CD2-CG1 4.42Å; Y65-V71 HydrophobicContact CD2-CG2 3.83Å; Y65-V71 HydrophobicContact CE2-CB 4.47Å; Y65-V71 HydrophobicContact CE2-CG2 4.26Å
66Q81.4Confident88Confident123 Ų12369.2 Ų69.258%0.57538%0.376SS*.  trans-119.4141.3175.8-56.8-56-5800109.2D64 G68 T69D64-Q66 PolarHBondContact O-N 2.84Å; D64-Q66 PolarHBondContact O-NE2 2.99Å; Q66-G68 PolarHBondContact O-N 3.22Å; Q66-T69 HydrophobicContact CB-CG2 4.12Å; Q66-T69 PolarHBondContact O-N 3.17Å; Q66-T69 PolarHBondContact O-OG1 3.01Å
67E79.4Confident88Confident150 Ų15065.8 Ų65.870%0.70136%0.362SS*.THydrogen-bonded Turntrans-63129.5177.2-174.8167-150.100110.4S33S33-E67 WeakPolarHBondContact CB-OE1 3.48Å; S33-E67 PolarHBondContact OG-OE1 3.09Å
68G77.3Confident87.7Confident40 Ų4069.8 Ų69.841%0.41238%0.378SS..THydrogen-bonded Turntrans88.92.6-178.500000116.1S30 Q66S30-G68 WeakPolarHBondContact CB-O 3.34Å; Q66-G68 PolarHBondContact O-N 3.22Å
69T82.3Confident87.3Confident61 Ų6164.7 Ų64.737%0.37437%0.366SS..  trans-92.5148.4168.760.90000112.2Q66 V71Q66-T69 HydrophobicContact CB-CG2 4.12Å; Q66-T69 PolarHBondContact O-N 3.17Å; Q66-T69 PolarHBondContact O-OG1 3.01Å; T69-V71 VanDerWaalsContact OG1-CG2 3.27Å; T69-V71 WeakPolarHBondContact OG1-CG2 3.44Å
70E87.1Confident87.1Confident117 Ų11769 Ų6955%0.54740%0.396SS..  trans-80.9121.2170.6-175.1179.6174.900109.2W5 T27 L28W5-E70 HydrophobicContact CH2-CG 4.41Å; T27-E70 HydrophobicContact CG2-CG 3.45Å; T27-E70 VanDerWaalsContact CG2-CG 3.45Å; T27-E70 WeakPolarHBondContact CG2-OE1 3.46Å; L28-E70 WeakPolarHBondContact O-CA 3.4Å
71V90.6Very high87.1Confident25 Ų2571.6 Ų71.615%0.15240%0.4CS..EExtended strand (participates in β ladder)trans-136.8129.2-170.1-177.70000112.2T27 L28 P62 Y65 T69T27-V71 WeakPolarHBondContact CA-O 3.18Å; L28-V71 PolarHBondContact N-O 3.02Å; L28-V71 PolarHBondContact O-N 3.5Å; L28-V71 VanDerWaalsContact O-N 3.09Å; P62-V71 HydrophobicContact CG-CG1 3.57Å; Y65-V71 HydrophobicContact CD2-CB 4.09Å; Y65-V71 HydrophobicContact CD2-CG1 4.42Å; Y65-V71 HydrophobicContact CD2-CG2 3.83Å; Y65-V71 HydrophobicContact CE2-CB 4.47Å; Y65-V71 HydrophobicContact CE2-CG2 4.26Å; T69-V71 VanDerWaalsContact OG1-CG2 3.27Å; T69-V71 WeakPolarHBondContact OG1-CG2 3.44Å
72N91.3Very high87.3Confident114 Ų11471.4 Ų71.461%0.6140%0.395SS*.EExtended strand (participates in β ladder)trans-83.3129175.7-68.6-52.7000111T27T27-N72 WeakPolarHBondContact CG2-OD1 3.48Å; T27-N72 PolarHBondContact OG1-OD1 3.11Å
73C91.9Very high87.5Confident9 Ų969.3 Ų69.36%0.06138%0.382CS..EExtended strand (participates in β ladder)trans-125.4160.6-173.4-58.20000110.5H25 Y26 L60H25-C73 WeakPolarHBondContact CA-O 3.5Å; Y26-C73 HydrophobicContact CD1-CB 4.28Å; Y26-C73 HydrophobicContact CD2-CB 3.81Å; Y26-C73 HydrophobicContact CE1-CB 3.84Å; Y26-C73 HydrophobicContact CE2-CB 3.32Å; Y26-C73 HydrophobicContact CG-CB 4.26Å; Y26-C73 PolarHBondContact N-O 3.43Å; Y26-C73 VanDerWaalsContact N-O 3.12Å; Y26-C73 PolarHBondContact O-N 2.86Å; L60-C73 WeakPolarHBondContact O-CB 3.42Å
74C92.4Very high87.8Confident36 Ų3672.2 Ų72.224%0.24337%0.373CS..EExtended strand (participates in β ladder)trans-143.5135174.4-170.60000110.7C24 H25C24-C74 WeakPolarHBondContact O-CA 3.45Å; H25-C74 VanDerWaalsContact CE1-SG 3.52Å
75V93.8Very high88Confident2 Ų270.2 Ų70.21%0.01237%0.367CS..EExtended strand (participates in β ladder)trans-128.3151.6170.2-64.40000110.3C24 Y26 I40 V57 L60 F77C24-V75 HydrophobicContact CB-CG2 3.92Å; C24-V75 WeakPolarHBondContact CB-O 3.43Å; C24-V75 PolarHBondContact N-O 2.91Å; C24-V75 PolarHBondContact O-N 3.49Å; Y26-V75 HydrophobicContact CE1-CG1 4.01Å; Y26-V75 HydrophobicContact CE1-CG2 4.03Å; I40-V75 HydrophobicContact CD1-CG2 3.85Å; V57-V75 HydrophobicContact CG2-CB 3.77Å; V57-V75 HydrophobicContact CG2-CG1 4.48Å; V57-V75 HydrophobicContact CG2-CG2 3.49Å; V57-V75 VanDerWaalsContact CG2-CG2 3.49Å; L60-V75 HydrophobicContact CB-CG1 4.11Å; L60-V75 HydrophobicContact CD1-CG1 4.28Å; L60-V75 HydrophobicContact CG-CG1 3.99Å; V75-F77 HydrophobicContact CG2-CE2 4.4Å
76H93.4Very high88.1Confident88 Ų8870.2 Ų70.241%0.40737%0.372SS..EExtended strand (participates in β ladder)trans-118.9112.6-167.2-50.194.1000110.9D23D23-H76 IonicContact OD1-CD2 3.82Å; D23-H76 PolarHBondContact OD1-CD2 3.17Å
77F93.9Very high88.2Confident2 Ų270.1 Ų70.11%0.00939%0.385CS..EExtended strand (participates in β ladder)trans-81.2124.2172.3-71.2-94.5000109.9R21 V22 C24 I40 L42 T55 V57 V75 L82 F92R21-F77 WeakPolarHBondContact CA-O 3.28Å; V22-F77 HydrophobicContact CB-CB 4.37Å; V22-F77 PolarHBondContact N-O 3.11Å; V22-F77 PolarHBondContact O-N 2.71Å; C24-F77 HydrophobicContact CB-CD2 4.03Å; C24-F77 HydrophobicContact CB-CE2 3.88Å; I40-F77 HydrophobicContact CG2-CE2 4.27Å; I40-F77 HydrophobicContact CG2-CZ 4.03Å; I40-F77 WeakPolarHBondContact O-CZ 3.29Å; L42-F77 HydrophobicContact CB-CE1 4.04Å; L42-F77 HydrophobicContact CB-CZ 4.49Å; T55-F77 HydrophobicContact CG2-CD1 3.76Å; T55-F77 HydrophobicContact CG2-CE1 4.02Å; V57-F77 HydrophobicContact CG1-CD1 4Å; V57-F77 HydrophobicContact CG1-CE1 4.06Å; V57-F77 HydrophobicContact CG1-CG 4.35Å; V57-F77 HydrophobicContact CG1-CZ 4.44Å; V57-F77 HydrophobicContact CG2-CD2 4.41Å; V57-F77 HydrophobicContact CG2-CE1 4.08Å; V57-F77 HydrophobicContact CG2-CE2 3.83Å; V57-F77 HydrophobicContact CG2-CZ 3.66Å; V75-F77 HydrophobicContact CG2-CE2 4.4Å; F77-L82 HydrophobicContact CB-CD2 3.83Å; F77-F92 HydrophobicContact CD2-CD1 4.43Å; F77-F92 AromaticContact CD2-CE1 3.67Å; F77-F92 HydrophobicContact CD2-CE1 3.67Å; F77-F92 HydrophobicContact CD2-CZ 4.32Å; F77-F92 AromaticContact CE2-CD1 3.67Å; F77-F92 HydrophobicContact CE2-CD1 3.67Å; F77-F92 AromaticContact CE2-CE1 3.35Å; F77-F92 HydrophobicContact CE2-CE1 3.35Å; F77-F92 HydrophobicContact CE2-CZ 4.3Å; F77-F92 HydrophobicContact CG-CE1 4.42Å; F77-F92 AromaticContact CZ-CD1 3.91Å; F77-F92 HydrophobicContact CZ-CD1 3.91Å; F77-F92 AromaticContact CZ-CE1 3.87Å; F77-F92 HydrophobicContact CZ-CE1 3.87Å
78Q90.8Very high88.7Confident113 Ų11366.1 Ų66.153%0.52837%0.368SS..  trans-77.6135.9-179.1-67.5-67.4-14.300111.5S80 Y81Q78-S80 PolarHBondContact O-N 3.01Å; Q78-Y81 HydrophobicContact CB-CD2 4.02Å; Q78-Y81 HydrophobicContact CB-CE2 4.37Å; Q78-Y81 PolarHBondContact O-N 3.38Å
79A87.9Confident89.5Confident31 Ų3168.8 Ų68.826%0.25637%0.37SS..G310 helixtrans-51.7-34.6-175.900000114.2S20 Y81 L82S20-A79 WeakPolarHBondContact O-CB 3.39Å; A79-Y81 PolarHBondContact O-N 3.29Å; A79-Y81 VanDerWaalsContact O-N 3.12Å; A79-L82 PolarHBondContact O-N 3.35Å
80S88.6Confident90.1Very high91 Ų9166.3 Ų66.364%0.63635%0.354SS*.G310 helixtrans-61.9-17178.8550000115Q78Q78-S80 PolarHBondContact O-N 3.01Å
81Y90.3Very high90.5Very high151 Ų15161.1 Ų61.159%0.59233%0.329SS*.G310 helixtrans-117.810.4-178.4-49.9-57.5000113T55 Q78 A79T55-Y81 VanDerWaalsContact CG2-O 3.24Å; T55-Y81 WeakPolarHBondContact CG2-O 3.27Å; Q78-Y81 HydrophobicContact CB-CD2 4.02Å; Q78-Y81 HydrophobicContact CB-CE2 4.37Å; Q78-Y81 PolarHBondContact O-N 3.38Å; A79-Y81 PolarHBondContact O-N 3.29Å; A79-Y81 VanDerWaalsContact O-N 3.12Å
82L91.4Very high90.8Very high18 Ų1860 Ų609%0.09432%0.322CS..SBendtrans-85.8150.4176.6-64.9178.9000111.6P18 S20 V22 L42 F77 A79 F110P18-L82 HydrophobicContact CB-CB 4.34Å; S20-L82 WeakPolarHBondContact O-CD1 3.49Å; V22-L82 HydrophobicContact CB-CD1 4.44Å; V22-L82 HydrophobicContact CG2-CD1 3.69Å; V22-L82 HydrophobicContact CG2-CD2 4.47Å; L42-L82 HydrophobicContact CD2-CD2 4.18Å; F77-L82 HydrophobicContact CB-CD2 3.83Å; A79-L82 PolarHBondContact O-N 3.35Å; L82-F110 HydrophobicContact CB-CE1 4.19Å; L82-F110 HydrophobicContact CD1-CE1 4.02Å; L82-F110 HydrophobicContact CD2-CE1 3.97Å; L82-F110 HydrophobicContact CD2-CZ 4Å; L82-F110 HydrophobicContact CG-CE1 4.29Å
83P90.2Very high91Very high3 Ų354.5 Ų54.52%0.01929%0.293CS..PPolyproline II helixtrans-52.6144.9170.5-27.733.9000113.1P18 L42 E54 Y90 F110P18-P83 WeakPolarHBondContact CB-O 3.47Å; L42-P83 VanDerWaalsContact CD2-CD 3.49Å; L42-P83 HydrophobicContact CD2-CG 3.93Å; E54-P83 HydrophobicContact CG-CG 4.09Å; P83-Y90 HydrophobicContact CB-CD2 4.5Å; P83-Y90 HydrophobicContact CB-CE1 4.02Å; P83-Y90 HydrophobicContact CB-CE2 3.76Å; P83-Y90 HydrophobicContact CG-CD1 3.82Å; P83-Y90 HydrophobicContact CG-CD2 4.21Å; P83-Y90 HydrophobicContact CG-CE1 3.4Å; P83-Y90 HydrophobicContact CG-CE2 3.83Å; P83-Y90 HydrophobicContact CG-CG 4.22Å; P83-Y90 VanDerWaalsContact CG-CZ 3.43Å; P83-F110 HydrophobicContact CB-CD2 3.68Å; P83-F110 HydrophobicContact CB-CE2 4.17Å; P83-F110 HydrophobicContact CB-CG 4.17Å; P83-F110 HydrophobicContact CG-CD2 3.62Å; P83-F110 HydrophobicContact CG-CE2 3.58Å; P83-F110 HydrophobicContact CG-CG 4.44Å; P83-F110 HydrophobicContact CG-CZ 4.36Å
84K86.3Confident91.2Very high179 Ų17954.1 Ų54.178%0.77829%0.291SS*.PPolyproline II helixtrans-67.4154.3172.2-67.3-179.4-177.9176.30110.8S86K84-S86 WeakPolarHBondContact O-CB 3.43Å; K84-S86 PolarHBondContact O-N 2.75Å; K84-S86 VanDerWaalsContact O-N 3.11Å; K84-S86 PolarHBondContact O-OG 2.71Å
85P85.4Confident91.3Very high82 Ų8252.4 Ų52.453%0.53228%0.279SS..SBendtrans-50.1120.3178.3-23.929.7000111.6P18 F110P18-P85 HydrophobicContact CG-CB 4.47Å; P18-P85 HydrophobicContact CG-CG 3.64Å; P85-F110 CarbonylContact C-O 3.56Å; P85-F110 VanDerWaalsContact CA-O 3.29Å; P85-F110 WeakPolarHBondContact CA-O 3.45Å
86S83.7Confident91.2Very high40 Ų4052.8 Ų52.828%0.2828%0.281SS..EExtended strand (participates in β ladder)trans-161.9155.6-172.856.70000112K84 L88 F110K84-S86 WeakPolarHBondContact O-CB 3.43Å; K84-S86 PolarHBondContact O-N 2.75Å; K84-S86 VanDerWaalsContact O-N 3.11Å; K84-S86 PolarHBondContact O-OG 2.71Å; S86-L88 PolarHBondContact O-N 2.82Å; S86-L88 VanDerWaalsContact O-N 3.12Å; S86-F110 PolarHBondContact N-O 2.66Å
87S84.4Confident91Very high121 Ų12151.1 Ų51.185%0.84628%0.282SS*.EExtended strand (participates in β ladder)trans-81.131.5171.467.10000112.4
88L90.8Very high90.7Very high65 Ų6559 Ų5934%0.3432%0.317SS..EExtended strand (participates in β ladder)trans-98.3134.2175.2-63.5-179.9000108.3K44 S86 Y90K44-L88 HydrophobicContact CD-CD1 4.33Å; S86-L88 PolarHBondContact O-N 2.82Å; S86-L88 VanDerWaalsContact O-N 3.12Å; L88-Y90 HydrophobicContact CB-CE2 3.68Å; L88-Y90 VanDerWaalsContact O-CD2 3.28Å; L88-Y90 WeakPolarHBondContact O-CD2 3.41Å; L88-Y90 WeakPolarHBondContact O-CE2 3.39Å
89E93Very high90.5Very high97 Ų9755.4 Ų55.445%0.45331%0.31SS..EExtended strand (participates in β ladder)trans-85.9141.3174-72.6-178.4-143.200111.2V45 T107 F108 T109V45-E89 HydrophobicContact CB-CB 4.2Å; V45-E89 HydrophobicContact CG2-CB 3.77Å; V45-E89 WeakPolarHBondContact CG2-O 3.42Å; V45-E89 PolarHBondContact N-O 3.48Å; E89-T107 WeakPolarHBondContact OE2-CB 3.29Å; E89-T107 PolarHBondContact OE2-OG1 3.37Å; E89-F108 CarbonylContact C-O 3.59Å; E89-F108 WeakPolarHBondContact CA-O 3.44Å; E89-T109 HydrophobicContact CG-CG2 4.01Å
90Y95.2Very high90.6Very high9 Ų958.1 Ų58.14%0.03532%0.318CS..EExtended strand (participates in β ladder)trans-128.4160.3178-64-94.6000109.9L42 F43 K44 P83 L88 T107 F108 F110L42-Y90 HydrophobicContact CG-CD1 4.35Å; F43-Y90 CarbonylContact O-C 3.56Å; F43-Y90 WeakPolarHBondContact O-CA 3.41Å; F43-Y90 WeakPolarHBondContact O-CB 3.38Å; K44-Y90 HydrophobicContact CB-CD1 4.03Å; K44-Y90 HydrophobicContact CB-CE1 3.8Å; K44-Y90 HydrophobicContact CG-CE1 4.27Å; P83-Y90 HydrophobicContact CB-CD2 4.5Å; P83-Y90 HydrophobicContact CB-CE1 4.02Å; P83-Y90 HydrophobicContact CB-CE2 3.76Å; P83-Y90 HydrophobicContact CG-CD1 3.82Å; P83-Y90 HydrophobicContact CG-CD2 4.21Å; P83-Y90 HydrophobicContact CG-CE1 3.4Å; P83-Y90 HydrophobicContact CG-CE2 3.83Å; P83-Y90 HydrophobicContact CG-CG 4.22Å; P83-Y90 VanDerWaalsContact CG-CZ 3.43Å; L88-Y90 HydrophobicContact CB-CE2 3.68Å; L88-Y90 VanDerWaalsContact O-CD2 3.28Å; L88-Y90 WeakPolarHBondContact O-CD2 3.41Å; L88-Y90 WeakPolarHBondContact O-CE2 3.39Å; Y90-T107 CarbonylContact O-C 3.58Å; Y90-T107 WeakPolarHBondContact O-CA 3.39Å; Y90-F108 PolarHBondContact N-O 3.31Å; Y90-F108 PolarHBondContact O-N 3.16Å; Y90-F110 AromaticContact CD2-CD2 3.69Å; Y90-F110 HydrophobicContact CD2-CD2 3.69Å; Y90-F110 AromaticContact CD2-CE2 3.94Å; Y90-F110 HydrophobicContact CD2-CE2 3.94Å; Y90-F110 HydrophobicContact CE2-CD2 4.05Å; Y90-F110 HydrophobicContact CG-CD2 4.24Å; Y90-F110 HydrophobicContact CG-CE2 4.02Å
91E96Very high90.7Very high7 Ų756.2 Ų56.23%0.03330%0.302CS..EExtended strand (participates in β ladder)trans-141.4148.7177.860.7-174.4136.700110.1F43 V45 W47 I93 R104F43-E91 HydrophobicContact CB-CG 4.27Å; F43-E91 PolarHBondContact N-O 2.86Å; F43-E91 PolarHBondContact O-N 2.72Å; V45-E91 HydrophobicContact CG2-CG 4.48Å; W47-E91 PolarHBondContact NE1-OE1 2.95Å; E91-I93 HydrophobicContact CG-CD1 3.92Å; E91-I93 HydrophobicContact CG-CG1 3.91Å; E91-R104 IonicContact OE1-CZ 3.98Å; E91-R104 IonicContact OE1-NE 2.68Å; E91-R104 IonicContact OE1-NH2 2.69Å; E91-R104 PolarHBondContact OE1-NH2 2.96Å; E91-R104 IonicContact OE2-CZ 2.65Å; E91-R104 IonicContact OE2-NE 2.74Å; E91-R104 PolarHBondContact OE2-NE 3.42Å; E91-R104 IonicContact OE2-NH2 3.78Å; E91-R104 PolarHBondContact OE2-NH2 3.12Å
92F96.7Very high90.7Very high1 Ų149.9 Ų49.90%0.00428%0.279CS..EExtended strand (participates in β ladder)trans-85.9138.1166.4-62.8-61.3000109.7F9 Y16 V22 C24 I40 G41 L42 F77 R104 S105 F108F9-F92 HydrophobicContact CD1-CB 4.05Å; F9-F92 HydrophobicContact CE1-CB 3.62Å; F9-F92 HydrophobicContact CE1-CG 4.46Å; F9-F92 HydrophobicContact CE2-CB 4.15Å; F9-F92 WeakPolarHBondContact CE2-O 3.32Å; F9-F92 HydrophobicContact CZ-CB 3.67Å; Y16-F92 HydrophobicContact CE2-CE2 4.2Å; V22-F92 HydrophobicContact CG1-CZ 3.79Å; C24-F92 HydrophobicContact CB-CE1 4.37Å; C24-F92 HydrophobicContact CB-CE2 4.31Å; C24-F92 HydrophobicContact CB-CZ 4.17Å; C24-F92 VanDerWaalsContact SG-CD2 3.57Å; I40-F92 HydrophobicContact CG2-CB 4.11Å; I40-F92 HydrophobicContact CG2-CD1 4.32Å; G41-F92 WeakPolarHBondContact O-CA 3.36Å; L42-F92 HydrophobicContact CD1-CD1 4.05Å; L42-F92 HydrophobicContact CD1-CE1 3.87Å; F77-F92 HydrophobicContact CD2-CD1 4.43Å; F77-F92 AromaticContact CD2-CE1 3.67Å; F77-F92 HydrophobicContact CD2-CE1 3.67Å; F77-F92 HydrophobicContact CD2-CZ 4.32Å; F77-F92 AromaticContact CE2-CD1 3.67Å; F77-F92 HydrophobicContact CE2-CD1 3.67Å; F77-F92 AromaticContact CE2-CE1 3.35Å; F77-F92 HydrophobicContact CE2-CE1 3.35Å; F77-F92 HydrophobicContact CE2-CZ 4.3Å; F77-F92 HydrophobicContact CG-CE1 4.42Å; F77-F92 AromaticContact CZ-CD1 3.91Å; F77-F92 HydrophobicContact CZ-CD1 3.91Å; F77-F92 AromaticContact CZ-CE1 3.87Å; F77-F92 HydrophobicContact CZ-CE1 3.87Å; F92-R104 CarbonylContact O-C 3.59Å; F92-R104 WeakPolarHBondContact O-CA 3.26Å; F92-S105 PolarHBondContact N-OG 3.05Å; F92-S105 PolarHBondContact O-N 2.74Å; F92-F108 HydrophobicContact CD1-CZ 4.12Å; F92-F108 AromaticContact CD2-CE1 3.46Å; F92-F108 HydrophobicContact CD2-CE1 3.46Å; F92-F108 VanDerWaalsContact CD2-CE1 3.46Å; F92-F108 AromaticContact CD2-CZ 3.69Å; F92-F108 HydrophobicContact CD2-CZ 3.69Å; F92-F108 AromaticContact CE1-CZ 3.89Å; F92-F108 HydrophobicContact CE1-CZ 3.89Å; F92-F108 HydrophobicContact CE2-CD1 4.49Å; F92-F108 AromaticContact CE2-CE1 3.5Å; F92-F108 HydrophobicContact CE2-CE1 3.5Å; F92-F108 VanDerWaalsContact CE2-CE1 3.5Å; F92-F108 HydrophobicContact CE2-CE2 4.39Å; F92-F108 AromaticContact CE2-CZ 3.43Å; F92-F108 HydrophobicContact CE2-CZ 3.43Å; F92-F108 VanDerWaalsContact CE2-CZ 3.43Å; F92-F108 HydrophobicContact CG-CE1 4.04Å; F92-F108 HydrophobicContact CG-CZ 4.03Å; F92-F108 HydrophobicContact CZ-CE1 4.1Å; F92-F108 HydrophobicContact CZ-CE2 4.26Å; F92-F108 AromaticContact CZ-CZ 3.53Å; F92-F108 HydrophobicContact CZ-CZ 3.53Å
93I95.9Very high90.8Very high0 Ų050 Ų500%028%0.282CS..EExtended strand (participates in β ladder)trans-131.9122.2-178.4-52.2-166000109.1I40 G41 F43 W47 E91 V95 V101 S103 R104I40-I93 VanDerWaalsContact CA-O 3.32Å; I40-I93 WeakPolarHBondContact CA-O 3.37Å; G41-I93 PolarHBondContact N-O 3.5Å; G41-I93 PolarHBondContact O-N 3.37Å; F43-I93 HydrophobicContact CB-CD1 3.79Å; F43-I93 HydrophobicContact CB-CG1 4.27Å; F43-I93 HydrophobicContact CD1-CD1 4.49Å; F43-I93 HydrophobicContact CD2-CB 3.71Å; F43-I93 HydrophobicContact CD2-CD1 3.52Å; F43-I93 HydrophobicContact CD2-CG1 3.6Å; F43-I93 HydrophobicContact CE2-CB 3.88Å; F43-I93 HydrophobicContact CE2-CD1 4.16Å; F43-I93 HydrophobicContact CE2-CG1 4.25Å; F43-I93 HydrophobicContact CE2-CG2 4.45Å; F43-I93 HydrophobicContact CG-CD1 3.69Å; F43-I93 HydrophobicContact CG-CG1 4.2Å; W47-I93 HydrophobicContact CD2-CD1 4.3Å; W47-I93 HydrophobicContact CH2-CD1 4.3Å; W47-I93 HydrophobicContact CZ2-CD1 3.34Å; E91-I93 HydrophobicContact CG-CD1 3.92Å; E91-I93 HydrophobicContact CG-CG1 3.91Å; I93-V95 HydrophobicContact CG2-CG2 4.26Å; I93-V101 HydrophobicContact CG2-CB 4.38Å; I93-V101 HydrophobicContact CG2-CG1 3.6Å; I93-V101 HydrophobicContact CG2-CG2 3.94Å; I93-S103 WeakPolarHBondContact CA-O 3.32Å; I93-R104 HydrophobicContact CD1-CG 4.29Å; I93-R104 HydrophobicContact CG1-CG 4.19Å; I93-R104 HydrophobicContact CG2-CG 4.21Å
94Y95.5Very high90.9Very high0 Ų055.9 Ų55.90%030%0.303CS..EExtended strand (participates in β ladder)trans-86.8127.5174.9-165.8-72.1000109.4V7 Y26 L28 H32 D38 I40 A59 V101 C102 S103V7-Y94 HydrophobicContact CB-CD2 4.27Å; V7-Y94 HydrophobicContact CB-CG 4.27Å; V7-Y94 HydrophobicContact CG1-CD2 3.77Å; V7-Y94 HydrophobicContact CG1-CE2 4.2Å; V7-Y94 HydrophobicContact CG1-CG 4.22Å; V7-Y94 HydrophobicContact CG2-CD1 3.98Å; V7-Y94 HydrophobicContact CG2-CD2 4Å; V7-Y94 HydrophobicContact CG2-CE1 4.07Å; V7-Y94 HydrophobicContact CG2-CE2 4.07Å; V7-Y94 HydrophobicContact CG2-CG 3.95Å; Y26-Y94 HydrophobicContact CD2-CD2 4.45Å; Y26-Y94 HydrophobicContact CD2-CE2 4.22Å; Y26-Y94 HydrophobicContact CE2-CD2 4.46Å; Y26-Y94 AromaticContact CE2-CE2 3.86Å; Y26-Y94 HydrophobicContact CE2-CE2 3.86Å; L28-Y94 HydrophobicContact CD2-CE2 4.05Å; H32-Y94 AromaticContact CE1-CE1 3.93Å; H32-Y94 AromaticContact NE2-CE1 3.72Å; H32-Y94 AromaticContact NE2-CZ 3.99Å; D38-Y94 HydrophobicContact CB-CE1 3.85Å; D38-Y94 VanDerWaalsContact CB-OH 3.28Å; D38-Y94 WeakPolarHBondContact CB-OH 3.39Å; D38-Y94 WeakPolarHBondContact OD2-CE1 3.5Å; D38-Y94 PolarHBondContact OD2-OH 3.38Å; I40-Y94 HydrophobicContact CD1-CD2 3.87Å; I40-Y94 HydrophobicContact CD1-CE2 4.27Å; I40-Y94 HydrophobicContact CG1-CD2 3.62Å; I40-Y94 HydrophobicContact CG1-CE2 4.24Å; I40-Y94 HydrophobicContact CG1-CG 4.27Å; A59-Y94 HydrophobicContact CB-CE2 3.73Å; Y94-V101 WeakPolarHBondContact O-CA 3.43Å; Y94-C102 HydrophobicContact CD1-CB 3.77Å; Y94-C102 HydrophobicContact CG-CB 4.45Å; Y94-C102 PolarHBondContact O-N 3.42Å; Y94-S103 PolarHBondContact N-O 3.38Å
95V94.3Very high91.3Very high1 Ų148.1 Ų48.11%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-123.3128.1179.6-174.40000109.1D38 W39 L50 I93 E100D38-V95 WeakPolarHBondContact CA-O 3.28Å; W39-V95 HydrophobicContact CD2-CB 4.03Å; W39-V95 HydrophobicContact CD2-CG2 4.33Å; W39-V95 HydrophobicContact CE3-CG2 4.48Å; W39-V95 HydrophobicContact CG-CB 4.36Å; W39-V95 HydrophobicContact CH2-CG2 4.12Å; W39-V95 HydrophobicContact CZ2-CB 3.99Å; W39-V95 HydrophobicContact CZ2-CG1 3.93Å; W39-V95 HydrophobicContact CZ2-CG2 3.9Å; W39-V95 HydrophobicContact CZ3-CG2 4.4Å; W39-V95 PolarHBondContact N-O 3.06Å; W39-V95 PolarHBondContact O-N 3.04Å; L50-V95 HydrophobicContact CD1-CG1 4.16Å; L50-V95 HydrophobicContact CD2-CG2 4Å; I93-V95 HydrophobicContact CG2-CG2 4.26Å; V95-E100 VanDerWaalsContact CA-O 3.3Å; V95-E100 WeakPolarHBondContact CA-O 3.22Å
96D92.1Very high91.7Very high10 Ų1047.7 Ų47.75%0.05327%0.271CS..  trans-80170.5178748.8000113.6R6 D38 K98 G99 E100R6-D96 IonicContact NH1-OD2 3.88Å; D38-D96 WeakPolarHBondContact OD1-CA 3.31Å; D96-K98 PolarHBondContact O-N 3.45Å; D96-K98 WeakPolarHBondContact OD1-CA 3.33Å; D96-K98 VanDerWaalsContact OD1-CB 3.29Å; D96-K98 WeakPolarHBondContact OD1-CB 3.26Å; D96-K98 PolarHBondContact OD1-N 3.18Å; D96-G99 PolarHBondContact O-N 3.4Å; D96-G99 PolarHBondContact OD1-N 2.91Å; D96-E100 PolarHBondContact N-O 3.41Å; D96-E100 PolarHBondContact OD1-N 2.79Å
97A89.5Confident92.2Very high52 Ų5248.7 Ų48.743%0.4328%0.275SS..THydrogen-bonded Turntrans-55-13.5173.500000115.6V35 S37 D38V35-A97 HydrophobicContact CB-CB 4.07Å; V35-A97 HydrophobicContact CG1-CB 4.13Å; V35-A97 HydrophobicContact CG2-CB 4.35Å; S37-A97 WeakPolarHBondContact OG-CB 3.42Å; D38-A97 PolarHBondContact OD1-N 3.35Å
98K87.5Confident92.6Very high168 Ų16843 Ų4373%0.7324%0.236SC*.THydrogen-bonded Turntrans-95.3-11.4175.5-55.4163.8-172.4155.40112.1D96D96-K98 PolarHBondContact O-N 3.45Å; D96-K98 WeakPolarHBondContact OD1-CA 3.33Å; D96-K98 VanDerWaalsContact OD1-CB 3.29Å; D96-K98 WeakPolarHBondContact OD1-CB 3.26Å; D96-K98 PolarHBondContact OD1-N 3.18Å
99G85.6Confident92.7Very high38 Ų3841.9 Ų41.939%0.39223%0.231SC..SBendtrans87.216.9-173.600000114L50 D96L50-G99 VanDerWaalsContact CD1-O 3.23Å; L50-G99 WeakPolarHBondContact CD1-O 3.5Å; D96-G99 PolarHBondContact O-N 3.4Å; D96-G99 PolarHBondContact OD1-N 2.91Å
100E89.8Confident92.6Very high88 Ų8837.3 Ų37.341%0.41121%0.21SC..  trans-83.6142.4171.8-68-171.7-165.400111.6R6 V95 D96 C102R6-E100 IonicContact CZ-OE2 3.12Å; R6-E100 VanDerWaalsContact CZ-OE2 3.25Å; R6-E100 IonicContact NH1-OE2 3.72Å; R6-E100 PolarHBondContact NH1-OE2 3.48Å; R6-E100 IonicContact NH2-OE2 2.63Å; R6-E100 PolarHBondContact NH2-OE2 3.31Å; V95-E100 VanDerWaalsContact CA-O 3.3Å; V95-E100 WeakPolarHBondContact CA-O 3.22Å; D96-E100 PolarHBondContact N-O 3.41Å; D96-E100 PolarHBondContact OD1-N 2.79Å; E100-C102 PolarHBondContact O-N 3.04Å
101V91.8Very high92Very high50 Ų5039.1 Ų39.130%0.30322%0.223SC..EExtended strand (participates in β ladder)trans-77115.6167.9175.20000109.7W47 L50 I93 Y94 R104W47-V101 HydrophobicContact CH2-CG2 4.22Å; L50-V101 HydrophobicContact CD2-CG2 3.79Å; I93-V101 HydrophobicContact CG2-CB 4.38Å; I93-V101 HydrophobicContact CG2-CG1 3.6Å; I93-V101 HydrophobicContact CG2-CG2 3.94Å; Y94-V101 WeakPolarHBondContact O-CA 3.43Å; V101-R104 HydrophobicContact CG1-CG 4.05Å
102C89.8Confident91.1Very high18 Ų1842 Ų4212%0.12225%0.248CC..EExtended strand (participates in β ladder)trans-89.8-31.7178.9-540000112.8R6 V7 Y94 E100R6-C102 HydrophobicContact CB-CB 4.02Å; V7-C102 HydrophobicContact CG2-CB 4.25Å; Y94-C102 HydrophobicContact CD1-CB 3.77Å; Y94-C102 HydrophobicContact CG-CB 4.45Å; Y94-C102 PolarHBondContact O-N 3.42Å; E100-C102 PolarHBondContact O-N 3.04Å
103S92.5Very high89.7Confident21 Ų2146.3 Ų46.315%0.14728%0.276CS..EExtended strand (participates in β ladder)trans-160.4160.4-176.7-160.30000112.9V7 I93 Y94V7-S103 WeakPolarHBondContact O-CB 3.32Å; V7-S103 PolarHBondContact O-OG 3.31Å; I93-S103 WeakPolarHBondContact CA-O 3.32Å; Y94-S103 PolarHBondContact N-O 3.38Å
104R93.8Very high88.1Confident126 Ų12655.5 Ų55.548%0.47532%0.316SS..EExtended strand (participates in β ladder)trans-139.5140.4176.4-64.7171.371.6151.92.9108.6W47 E91 F92 I93 V101W47-R104 VanDerWaalsContact NE1-NH2 3.19Å; E91-R104 IonicContact OE1-CZ 3.98Å; E91-R104 IonicContact OE1-NE 2.68Å; E91-R104 IonicContact OE1-NH2 2.69Å; E91-R104 PolarHBondContact OE1-NH2 2.96Å; E91-R104 IonicContact OE2-CZ 2.65Å; E91-R104 IonicContact OE2-NE 2.74Å; E91-R104 PolarHBondContact OE2-NE 3.42Å; E91-R104 IonicContact OE2-NH2 3.78Å; E91-R104 PolarHBondContact OE2-NH2 3.12Å; F92-R104 CarbonylContact O-C 3.59Å; F92-R104 WeakPolarHBondContact O-CA 3.26Å; I93-R104 HydrophobicContact CD1-CG 4.29Å; I93-R104 HydrophobicContact CG1-CG 4.19Å; I93-R104 HydrophobicContact CG2-CG 4.21Å; V101-R104 HydrophobicContact CG1-CG 4.05Å
105S95.2Very high86.4Confident17 Ų1760.2 Ų60.212%0.11935%0.347CS..  trans-78.2174.4178.369.60000113.1F92F92-S105 PolarHBondContact N-OG 3.05Å; F92-S105 PolarHBondContact O-N 2.74Å
106S92.7Very high84.5Confident72 Ų7266.7 Ų66.750%0.50338%0.381SS..  trans-58.3154.9152.344.80000110.6V12V12-S106 WeakPolarHBondContact CB-OG 3.47Å; V12-S106 WeakPolarHBondContact CG1-OG 3.37Å
107T94.3Very high82.9Confident62 Ų6274.5 Ų74.538%0.3842%0.417SS..  trans-80.2151.4177.162.40000111.5V45 E89 Y90V45-T107 HydrophobicContact CG2-CG2 3.54Å; E89-T107 WeakPolarHBondContact OE2-CB 3.29Å; E89-T107 PolarHBondContact OE2-OG1 3.37Å; Y90-T107 CarbonylContact O-C 3.58Å; Y90-T107 WeakPolarHBondContact O-CA 3.39Å
108F93.4Very high81.5Confident2 Ų277 Ų771%0.00942%0.423CS..EExtended strand (participates in β ladder)trans-150164.5-178.655-97.2000111.9V12 G13 C14 Y16 L42 E89 Y90 F92 F110V12-F108 HydrophobicContact CG1-CD1 3.63Å; V12-F108 HydrophobicContact CG1-CE1 4.05Å; G13-F108 WeakPolarHBondContact O-CB 3.37Å; C14-F108 WeakPolarHBondContact O-CA 3.36Å; Y16-F108 HydrophobicContact CD2-CB 4.35Å; Y16-F108 AromaticContact CD2-CD2 3.57Å; Y16-F108 HydrophobicContact CD2-CD2 3.57Å; Y16-F108 AromaticContact CD2-CE2 3.93Å; Y16-F108 HydrophobicContact CD2-CE2 3.93Å; Y16-F108 AromaticContact CD2-CG 3.94Å; Y16-F108 HydrophobicContact CD2-CG 3.94Å; Y16-F108 HydrophobicContact CE2-CB 4.37Å; Y16-F108 HydrophobicContact CE2-CD1 4.16Å; Y16-F108 AromaticContact CE2-CD2 3.92Å; Y16-F108 HydrophobicContact CE2-CD2 3.92Å; Y16-F108 HydrophobicContact CE2-CE1 4.42Å; Y16-F108 HydrophobicContact CE2-CE2 4.18Å; Y16-F108 AromaticContact CE2-CG 3.89Å; Y16-F108 HydrophobicContact CE2-CG 3.89Å; Y16-F108 HydrophobicContact CE2-CZ 4.42Å; L42-F108 HydrophobicContact CD1-CE2 3.73Å; L42-F108 HydrophobicContact CD1-CZ 3.5Å; L42-F108 VanDerWaalsContact CD1-CZ 3.5Å; E89-F108 CarbonylContact C-O 3.59Å; E89-F108 WeakPolarHBondContact CA-O 3.44Å; Y90-F108 PolarHBondContact N-O 3.31Å; Y90-F108 PolarHBondContact O-N 3.16Å; F92-F108 HydrophobicContact CD1-CZ 4.12Å; F92-F108 AromaticContact CD2-CE1 3.46Å; F92-F108 HydrophobicContact CD2-CE1 3.46Å; F92-F108 VanDerWaalsContact CD2-CE1 3.46Å; F92-F108 AromaticContact CD2-CZ 3.69Å; F92-F108 HydrophobicContact CD2-CZ 3.69Å; F92-F108 AromaticContact CE1-CZ 3.89Å; F92-F108 HydrophobicContact CE1-CZ 3.89Å; F92-F108 HydrophobicContact CE2-CD1 4.49Å; F92-F108 AromaticContact CE2-CE1 3.5Å; F92-F108 HydrophobicContact CE2-CE1 3.5Å; F92-F108 VanDerWaalsContact CE2-CE1 3.5Å; F92-F108 HydrophobicContact CE2-CE2 4.39Å; F92-F108 AromaticContact CE2-CZ 3.43Å; F92-F108 HydrophobicContact CE2-CZ 3.43Å; F92-F108 VanDerWaalsContact CE2-CZ 3.43Å; F92-F108 HydrophobicContact CG-CE1 4.04Å; F92-F108 HydrophobicContact CG-CZ 4.03Å; F92-F108 HydrophobicContact CZ-CE1 4.1Å; F92-F108 HydrophobicContact CZ-CE2 4.26Å; F92-F108 AromaticContact CZ-CZ 3.53Å; F92-F108 HydrophobicContact CZ-CZ 3.53Å; F108-F110 HydrophobicContact CD2-CE2 4.19Å; F108-F110 HydrophobicContact CD2-CZ 4.4Å; F108-F110 AromaticContact CE2-CE2 3.75Å; F108-F110 HydrophobicContact CE2-CE2 3.75Å; F108-F110 AromaticContact CE2-CZ 3.81Å; F108-F110 HydrophobicContact CE2-CZ 3.81Å
109T92.9Very high80.1Confident41 Ų4174.8 Ų74.825%0.25242%0.418SS..EExtended strand (participates in β ladder)trans-117.4160.4-179.658.30000112.3C14 A15 Y16 E89C14-T109 PolarHBondContact O-N 2.91Å; C14-T109 VanDerWaalsContact O-N 3.15Å; A15-T109 CarbonylContact C-O 3.49Å; A15-T109 WeakPolarHBondContact CA-O 3.29Å; Y16-T109 PolarHBondContact N-O 2.92Å; E89-T109 HydrophobicContact CG-CG2 4.01Å
110F90.2Very high79.1Confident1 Ų175 Ų750%0.00441%0.412CS..EExtended strand (participates in β ladder)trans-102.5116.9169.1-72.1-83.4000109.7Y16 P18 V22 L42 L82 P83 P85 S86 Y90 F108Y16-F110 WeakPolarHBondContact O-CA 3.49Å; P18-F110 HydrophobicContact CB-CB 4.19Å; P18-F110 HydrophobicContact CB-CD1 3.91Å; P18-F110 HydrophobicContact CB-CG 4.38Å; P18-F110 HydrophobicContact CG-CB 4.2Å; V22-F110 HydrophobicContact CG2-CE1 4.23Å; L42-F110 HydrophobicContact CD1-CE2 4.35Å; L42-F110 HydrophobicContact CD1-CZ 4.45Å; L42-F110 HydrophobicContact CD2-CE2 3.99Å; L42-F110 HydrophobicContact CD2-CZ 3.92Å; L82-F110 HydrophobicContact CB-CE1 4.19Å; L82-F110 HydrophobicContact CD1-CE1 4.02Å; L82-F110 HydrophobicContact CD2-CE1 3.97Å; L82-F110 HydrophobicContact CD2-CZ 4Å; L82-F110 HydrophobicContact CG-CE1 4.29Å; P83-F110 HydrophobicContact CB-CD2 3.68Å; P83-F110 HydrophobicContact CB-CE2 4.17Å; P83-F110 HydrophobicContact CB-CG 4.17Å; P83-F110 HydrophobicContact CG-CD2 3.62Å; P83-F110 HydrophobicContact CG-CE2 3.58Å; P83-F110 HydrophobicContact CG-CG 4.44Å; P83-F110 HydrophobicContact CG-CZ 4.36Å; P85-F110 CarbonylContact C-O 3.56Å; P85-F110 VanDerWaalsContact CA-O 3.29Å; P85-F110 WeakPolarHBondContact CA-O 3.45Å; S86-F110 PolarHBondContact N-O 2.66Å; Y90-F110 AromaticContact CD2-CD2 3.69Å; Y90-F110 HydrophobicContact CD2-CD2 3.69Å; Y90-F110 AromaticContact CD2-CE2 3.94Å; Y90-F110 HydrophobicContact CD2-CE2 3.94Å; Y90-F110 HydrophobicContact CE2-CD2 4.05Å; Y90-F110 HydrophobicContact CG-CD2 4.24Å; Y90-F110 HydrophobicContact CG-CE2 4.02Å; F108-F110 HydrophobicContact CD2-CE2 4.19Å; F108-F110 HydrophobicContact CD2-CZ 4.4Å; F108-F110 AromaticContact CE2-CE2 3.75Å; F108-F110 HydrophobicContact CE2-CE2 3.75Å; F108-F110 AromaticContact CE2-CZ 3.81Å; F108-F110 HydrophobicContact CE2-CZ 3.81Å
111C82.8Confident77.5Confident46 Ų4674.6 Ų74.631%0.31142%0.416SS..  trans-136.6174.5-175.876.30000111.7Y16 F17 P18Y16-C111 PolarHBondContact O-N 3.21Å; Y16-C111 VanDerWaalsContact O-N 3.1Å; F17-C111 WeakPolarHBondContact CD1-O 3.49Å; P18-C111 WeakPolarHBondContact CD-O 3.41Å
112A76.6Confident76Confident67 Ų6775.4 Ų75.455%0.55442%0.418SS*.PPolyproline II helixtrans-97.5153.7174.600000110.8
113P67.3Low74.5Confident92 Ų9281.9 Ų81.960%0.59745%0.446SS*.PPolyproline II helixtrans-57.9140.2172.8-19.930.8000111.6F17F17-P113 HydrophobicContact CD1-CG 3.71Å; F17-P113 HydrophobicContact CD2-CG 4.48Å; F17-P113 HydrophobicContact CE1-CB 3.98Å; F17-P113 HydrophobicContact CE1-CG 3.63Å; F17-P113 HydrophobicContact CE2-CG 4.4Å; F17-P113 HydrophobicContact CG-CG 4.16Å; F17-P113 HydrophobicContact CZ-CB 4.2Å; F17-P113 HydrophobicContact CZ-CG 4Å
114K62.3Low72.6Confident193 Ų19385.5 Ų85.584%0.83946%0.464SS*.PPolyproline II helixtrans-80.7149.1165.3-63.8-177.1-178.5179.70109.3
115P59.3Low70.8Confident99 Ų9988.4 Ų88.464%0.64348%0.483SS*.PPolyproline II helixtrans-56151.4171.3-24.735.2000112.4E117P115-E117 HydrophobicContact CB-CG 4.47Å; P115-E117 PolarHBondContact O-N 3.12Å
116L56.1Low68.9Low137 Ų13790.8 Ų90.872%0.71750%0.5SS*.SBendtrans-84.217.7-175.3-153.971.9000113.5D118L116-D118 PolarHBondContact O-N 3.46Å; L116-D118 VanDerWaalsContact O-N 3.15Å
117E56.7Low66.7Low175 Ų17595.9 Ų95.982%0.81852%0.515SS*.  trans-86.328.1-174.1-61.8171.5167.500112.2P115 L119P115-E117 HydrophobicContact CB-CG 4.47Å; P115-E117 PolarHBondContact O-N 3.12Å; E117-L119 PolarHBondContact O-N 3.18Å
118D60Low65Low103 Ų10397.3 Ų97.355%0.55154%0.542SS*.  trans-88.398.9-172.8-148.223.7000108.9L116 R138L116-D118 PolarHBondContact O-N 3.46Å; L116-D118 VanDerWaalsContact O-N 3.15Å; D118-R138 WeakPolarHBondContact O-CB 3.49Å; D118-R138 IonicContact OD2-NH1 3.4Å
119L59.8Low63.1Low122 Ų122100.9 Ų100.964%0.63958%0.58SS**  trans-69.6138.5-177-65.9173.5000111.5E117 V135E117-L119 PolarHBondContact O-N 3.18Å; L119-V135 HydrophobicContact CB-CG1 3.91Å; L119-V135 HydrophobicContact CD1-CG1 4.15Å; L119-V135 HydrophobicContact CD2-CG1 4.29Å; L119-V135 HydrophobicContact CG-CG1 4.35Å
120V63Low60.9Low42 Ų42104.3 Ų104.326%0.25560%0.601SS.*EExtended strand (participates in β ladder)trans-113.7121.3-179.4178.20000109.8L122 I136 R138 L141V120-L122 HydrophobicContact CG1-CD2 4.23Å; V120-I136 PolarHBondContact N-O 3.11Å; V120-I136 PolarHBondContact O-N 3.23Å; V120-R138 HydrophobicContact CG2-CB 3.99Å; V120-R138 HydrophobicContact CG2-CG 4.06Å; V120-L141 HydrophobicContact CG1-CD2 4.2Å
121T57.4Low59.3Low81 Ų81111.3 Ų111.350%0.49764%0.638SS.*EExtended strand (participates in β ladder)trans-81.2126.3167.846.50000109.9L133 V135T121-L133 HydrophobicContact CG2-CB 4.2Å; T121-L133 HydrophobicContact CG2-CD1 4.36Å; T121-V135 HydrophobicContact CG2-CG2 3.96Å
122L59.7Low58.1Low66 Ų66115.9 Ų115.935%0.34666%0.657SS.*EExtended strand (participates in β ladder)trans-107.3141.4164-62.7179.7000109.7V120 L134 I136 L141V120-L122 HydrophobicContact CG1-CD2 4.23Å; L122-L134 PolarHBondContact N-O 2.94Å; L122-L134 PolarHBondContact O-N 3.24Å; L122-I136 HydrophobicContact CD1-CD1 4.09Å; L122-L141 HydrophobicContact CD1-CD1 3.9Å; L122-L141 HydrophobicContact CD1-CD2 4.07Å; L122-L141 HydrophobicContact CD2-CD2 4.27Å; L122-L141 HydrophobicContact CG-CD2 4.44Å
123E58Low57.4Low154 Ų154116.9 Ų116.972%0.7265%0.653SS**  trans-83.6125.6169.5-72164.5-16500108E125 L133E123-E125 PolarHBondContact O-N 3.23Å; E123-L133 HydrophobicContact CG-CD2 3.47Å; E123-L133 VanDerWaalsContact CG-CD2 3.47Å
124D53.9Low57.5Low98 Ų98117 Ų11752%0.52465%0.648SS.*  trans-88.5103.6-178.7-169.6-9.2000110.4S126D124-S126 PolarHBondContact O-N 3.01Å; D124-S126 WeakPolarHBondContact OD1-CA 3.43Å; D124-S126 VanDerWaalsContact OD1-CB 3.25Å; D124-S126 WeakPolarHBondContact OD1-CB 3.41Å; D124-S126 PolarHBondContact OD1-N 3.38Å; D124-S126 PolarHBondContact OD1-OG 3.07Å; D124-S126 PolarHBondContact OD2-OG 3.3Å
125E54.7Low57.9Low186 Ų186111.6 Ų111.687%0.86963%0.63SS**  trans-69.7-5.6175-78.1-85.2148.100113E123 H127E123-E125 PolarHBondContact O-N 3.23Å; E125-H127 PolarHBondContact O-N 2.96Å
126S56.3Low58.7Low68 Ų68108.6 Ų108.648%0.47661%0.609SS.*SBendtrans-85.4101.6-17976.30000113.1D124D124-S126 PolarHBondContact O-N 3.01Å; D124-S126 WeakPolarHBondContact OD1-CA 3.43Å; D124-S126 VanDerWaalsContact OD1-CB 3.25Å; D124-S126 WeakPolarHBondContact OD1-CB 3.41Å; D124-S126 PolarHBondContact OD1-N 3.38Å; D124-S126 PolarHBondContact OD1-OG 3.07Å; D124-S126 PolarHBondContact OD2-OG 3.3Å
127H46.7Very low59.8Low178 Ų178104.6 Ų104.682%0.82459%0.591SS**SBendtrans77.898.4171.6-46.5-70.7000115.7E125E125-H127 PolarHBondContact O-N 2.96Å
128G57.9Low60.9Low92 Ų92101.3 Ų101.395%0.94857%0.571SS**SBendtrans-63.2136.8-176.500000114.8
129G52.5Low61.9Low77 Ų7799.4 Ų99.479%0.79457%0.57SS**SBendtrans151.3-16.1169.500000116
130T48.2Very low62.9Low113 Ų11399 Ų9969%0.69356%0.564SS**  trans-140.9126.8172.3-44.80000110.1M132T130-M132 VanDerWaalsContact C-N 3.34Å; T130-M132 HydrophobicContact CG2-CG 3.97Å; T130-M132 HydrophobicContact CG2-SD 4.24Å; T130-M132 PolarHBondContact O-N 3.47Å
131D56.2Low64Low148 Ų14899.7 Ų99.779%0.79157%0.567SS**  trans-7981.7175.9-172.912.3000109.6
132M58.3Low65.3Low142 Ų142100.9 Ų100.970%0.757%0.569SS**  trans-109.995.9-177.5-98.6179.554.700110.7T130 L134T130-M132 VanDerWaalsContact C-N 3.34Å; T130-M132 HydrophobicContact CG2-CG 3.97Å; T130-M132 HydrophobicContact CG2-SD 4.24Å; T130-M132 PolarHBondContact O-N 3.47Å; M132-L134 PolarHBondContact O-N 2.99Å
133L62.1Low66.6Low89 Ų89104 Ų10447%0.46658%0.582SS.*  trans-64114.4172.9-65.9171.4000110.8T121 E123 V135T121-L133 HydrophobicContact CG2-CB 4.2Å; T121-L133 HydrophobicContact CG2-CD1 4.36Å; E123-L133 HydrophobicContact CG-CD2 3.47Å; E123-L133 VanDerWaalsContact CG-CD2 3.47Å; L133-V135 PolarHBondContact O-N 3.46Å
134L68.4Low68Low94 Ų9499.7 Ų99.749%0.49257%0.569SS.*EExtended strand (participates in β ladder)trans-81.7110.2176.5-175.259.8000109.2L122 M132 I136L122-L134 PolarHBondContact N-O 2.94Å; L122-L134 PolarHBondContact O-N 3.24Å; M132-L134 PolarHBondContact O-N 2.99Å; L134-I136 HydrophobicContact CD2-CD1 3.91Å; L134-I136 HydrophobicContact CD2-CG1 4.15Å; L134-I136 HydrophobicContact CG-CD1 4.17Å; L134-I136 HydrophobicContact CG-CG1 3.85Å; L134-I136 PolarHBondContact O-N 3.31Å
135V71.4Confident69.8Low79 Ų79101.3 Ų101.348%0.47957%0.568SS.*EExtended strand (participates in β ladder)trans-87.4102.6178.9-174.70000109.1L119 T121 L133L119-V135 HydrophobicContact CB-CG1 3.91Å; L119-V135 HydrophobicContact CD1-CG1 4.15Å; L119-V135 HydrophobicContact CD2-CG1 4.29Å; L119-V135 HydrophobicContact CG-CG1 4.35Å; T121-V135 HydrophobicContact CG2-CG2 3.96Å; L133-V135 PolarHBondContact O-N 3.46Å
136I74.8Confident71.6Confident37 Ų3797.8 Ų97.819%0.1955%0.554CS.*EExtended strand (participates in β ladder)trans-102.7135.4177.5-51.5-173.5000109.1V120 L122 L134 R138 E140 L141V120-I136 PolarHBondContact N-O 3.11Å; V120-I136 PolarHBondContact O-N 3.23Å; L122-I136 HydrophobicContact CD1-CD1 4.09Å; L134-I136 HydrophobicContact CD2-CD1 3.91Å; L134-I136 HydrophobicContact CD2-CG1 4.15Å; L134-I136 HydrophobicContact CG-CD1 4.17Å; L134-I136 HydrophobicContact CG-CG1 3.85Å; L134-I136 PolarHBondContact O-N 3.31Å; I136-R138 PolarHBondContact O-N 3.43Å; I136-E140 HydrophobicContact CG2-CB 3.92Å; I136-L141 HydrophobicContact CG2-CB 4.42Å
137P80.5Confident73.5Confident52 Ų5299.9 Ų99.934%0.33856%0.557SS.*  trans-54125.9165.9-26.837.1000110.7A139 E140 L141P137-A139 PolarHBondContact O-N 3.47Å; P137-E140 HydrophobicContact CB-CG 4.35Å; P137-E140 WeakPolarHBondContact CD-OE2 3.26Å; P137-E140 WeakPolarHBondContact CG-OE1 3.45Å; P137-E140 PolarHBondContact O-N 3.38Å; P137-L141 PolarHBondContact O-N 2.77Å
138R79.3Confident75.8Confident106 Ų10695.2 Ų95.240%0.454%0.535SS..Hα-helixtrans-54.3-26.7-175.2-176.4173.4174.7176.3-0.7114.1D118 V120 I136 L142D118-R138 WeakPolarHBondContact O-CB 3.49Å; D118-R138 IonicContact OD2-NH1 3.4Å; V120-R138 HydrophobicContact CG2-CB 3.99Å; V120-R138 HydrophobicContact CG2-CG 4.06Å; I136-R138 PolarHBondContact O-N 3.43Å; R138-L142 HydrophobicContact CG-CD1 4.02Å; R138-L142 WeakPolarHBondContact O-CB 3.24Å; R138-L142 WeakPolarHBondContact O-CD1 3.42Å; R138-L142 WeakPolarHBondContact O-CG 3.19Å; R138-L142 PolarHBondContact O-N 2.9Å
139A80.8Confident77.5Confident64 Ų6493.2 Ų93.253%0.52951%0.506SS..Hα-helixtrans-64-44.917400000113P137 L142 Q143P137-A139 PolarHBondContact O-N 3.47Å; A139-L142 PolarHBondContact O-N 2.9Å; A139-Q143 WeakPolarHBondContact O-CB 3.41Å; A139-Q143 PolarHBondContact O-N 3.03Å
140E81.8Confident79.5Confident112 Ų11293.8 Ų93.852%0.52349%0.49SS..Hα-helixtrans-68.2-42.7-177.4-67.1165.7-156.400111.2I136 P137 L142 Q143 S144I136-E140 HydrophobicContact CG2-CB 3.92Å; P137-E140 HydrophobicContact CB-CG 4.35Å; P137-E140 WeakPolarHBondContact CD-OE2 3.26Å; P137-E140 WeakPolarHBondContact CG-OE1 3.45Å; P137-E140 PolarHBondContact O-N 3.38Å; E140-L142 VanDerWaalsContact C-N 3.32Å; E140-L142 PolarHBondContact O-N 2.65Å; E140-Q143 PolarHBondContact O-N 2.96Å; E140-S144 PolarHBondContact O-N 3.47Å
141L84.3Confident81.8Confident58 Ų5893.7 Ų93.730%0.30448%0.482SS..Hα-helixtrans-60.7-41.3174.1-179.859.6000112V120 L122 I136 P137 R145V120-L141 HydrophobicContact CG1-CD2 4.2Å; L122-L141 HydrophobicContact CD1-CD1 3.9Å; L122-L141 HydrophobicContact CD1-CD2 4.07Å; L122-L141 HydrophobicContact CD2-CD2 4.27Å; L122-L141 HydrophobicContact CG-CD2 4.44Å; I136-L141 HydrophobicContact CG2-CB 4.42Å; P137-L141 PolarHBondContact O-N 2.77Å; L141-R145 WeakPolarHBondContact O-CB 3.48Å; L141-R145 PolarHBondContact O-N 3.13Å
142L85.1Confident83.8Confident105 Ų10590.9 Ų90.955%0.5546%0.464SS..Hα-helixtrans-70.6-32.7175.9-71.8171.2000112.6R138 A139 E140 L146R138-L142 HydrophobicContact CG-CD1 4.02Å; R138-L142 WeakPolarHBondContact O-CB 3.24Å; R138-L142 WeakPolarHBondContact O-CD1 3.42Å; R138-L142 WeakPolarHBondContact O-CG 3.19Å; R138-L142 PolarHBondContact O-N 2.9Å; A139-L142 PolarHBondContact O-N 2.9Å; E140-L142 VanDerWaalsContact C-N 3.32Å; E140-L142 PolarHBondContact O-N 2.65Å; L142-L146 VanDerWaalsContact O-CB 3.23Å; L142-L146 WeakPolarHBondContact O-CB 3.31Å; L142-L146 PolarHBondContact O-N 2.98Å
143Q87.6Confident85.5Confident132 Ų13291.7 Ų91.762%0.61746%0.46SS*.Hα-helixtrans-67.4-47.7175.2179.1172.6-16.200111.3A139 E140 L146 Q147A139-Q143 WeakPolarHBondContact O-CB 3.41Å; A139-Q143 PolarHBondContact O-N 3.03Å; E140-Q143 PolarHBondContact O-N 2.96Å; Q143-L146 PolarHBondContact O-N 3.09Å; Q143-Q147 PolarHBondContact O-N 3.19Å
144S87.8Confident87.1Confident63 Ų6389.2 Ų89.244%0.44145%0.452SS..Hα-helixtrans-57.9-49.8173.9-176.90000111.1E140 L146 Q147 E148E140-S144 PolarHBondContact O-N 3.47Å; S144-L146 VanDerWaalsContact C-N 3.28Å; S144-L146 PolarHBondContact O-N 2.92Å; S144-Q147 WeakPolarHBondContact O-CB 3.47Å; S144-Q147 PolarHBondContact O-N 2.9Å; S144-E148 PolarHBondContact O-N 3.35Å
145R90.4Very high88.5Confident133 Ų13390.6 Ų90.650%0.50246%0.456SS..Hα-helixtrans-64.6-30.7179.6-17054.7179.2176.413.3113.5L141 E148 C149L141-R145 WeakPolarHBondContact O-CB 3.48Å; L141-R145 PolarHBondContact O-N 3.13Å; R145-E148 WeakPolarHBondContact CD-OE2 3.5Å; R145-E148 IonicContact CZ-OE2 2.71Å; R145-E148 IonicContact NE-OE2 3.72Å; R145-E148 IonicContact NH1-OE2 3.44Å; R145-E148 PolarHBondContact NH1-OE2 3.43Å; R145-C149 PolarHBondContact O-N 2.71Å; R145-C149 VanDerWaalsContact O-N 3.16Å
146L93.9Very high89.8Confident111 Ų11192 Ų9258%0.58146%0.46SS*.Hα-helixtrans-68.1-40.7171.9176.761.4000111.5L142 Q143 S144 C149 L150L142-L146 VanDerWaalsContact O-CB 3.23Å; L142-L146 WeakPolarHBondContact O-CB 3.31Å; L142-L146 PolarHBondContact O-N 2.98Å; Q143-L146 PolarHBondContact O-N 3.09Å; S144-L146 VanDerWaalsContact C-N 3.28Å; S144-L146 PolarHBondContact O-N 2.92Å; L146-C149 PolarHBondContact O-N 3.31Å; L146-L150 HydrophobicContact CD1-CD1 4.28Å; L146-L150 HydrophobicContact CD1-CG 4.32Å; L146-L150 HydrophobicContact CG-CD1 4.12Å; L146-L150 WeakPolarHBondContact O-CB 3.46Å; L146-L150 VanDerWaalsContact O-CG 3.26Å; L146-L150 WeakPolarHBondContact O-CG 3.46Å; L146-L150 PolarHBondContact O-N 3.13Å
147Q95.6Very high90.8Very high113 Ų11394 Ų9453%0.52847%0.471SS..Hα-helixtrans-64.9-43.1177.3-175.6168.9-11.500111.8Q143 S144 L150 Q151Q143-Q147 PolarHBondContact O-N 3.19Å; S144-Q147 WeakPolarHBondContact O-CB 3.47Å; S144-Q147 PolarHBondContact O-N 2.9Å; Q147-L150 PolarHBondContact O-N 3.5Å; Q147-Q151 WeakPolarHBondContact O-CG 3.36Å; Q147-Q151 PolarHBondContact O-N 2.98Å
148E94.5Very high91.6Very high80 Ų8099.3 Ų99.337%0.37448%0.484SS..Hα-helixtrans-54.9-54.8170.8-68.3177.5151.700111.2S144 R145 L150 Q151 E152S144-E148 PolarHBondContact O-N 3.35Å; R145-E148 WeakPolarHBondContact CD-OE2 3.5Å; R145-E148 IonicContact CZ-OE2 2.71Å; R145-E148 IonicContact NE-OE2 3.72Å; R145-E148 IonicContact NH1-OE2 3.44Å; R145-E148 PolarHBondContact NH1-OE2 3.43Å; E148-L150 PolarHBondContact O-N 3.04Å; E148-Q151 WeakPolarHBondContact O-CA 3.29Å; E148-Q151 WeakPolarHBondContact O-CB 3.29Å; E148-Q151 PolarHBondContact O-N 2.96Å; E148-E152 WeakPolarHBondContact O-CG 3.47Å; E148-E152 PolarHBondContact O-N 3.21Å
149C94.2Very high92.5Very high50 Ų50100.4 Ų100.434%0.33849%0.494SS..Hα-helixtrans-66.1-22.4-179.1-70.80000114.1R145 L146 E152 R153R145-C149 PolarHBondContact O-N 2.71Å; R145-C149 VanDerWaalsContact O-N 3.16Å; L146-C149 PolarHBondContact O-N 3.31Å; C149-E152 WeakPolarHBondContact CA-OE2 3.2Å; C149-E152 PolarHBondContact SG-OE2 3.14Å; C149-E152 VanDerWaalsContact SG-OE2 3.32Å; C149-R153 WeakPolarHBondContact O-CB 3.44Å; C149-R153 PolarHBondContact O-N 3.45Å
150L95.5Very high93.2Very high88 Ų88103.8 Ų103.846%0.46150%0.499SS..Hα-helixtrans-75.6-34.8170.2-73.7171.3000112.2L146 Q147 E148 A154L146-L150 HydrophobicContact CD1-CD1 4.28Å; L146-L150 HydrophobicContact CD1-CG 4.32Å; L146-L150 HydrophobicContact CG-CD1 4.12Å; L146-L150 WeakPolarHBondContact O-CB 3.46Å; L146-L150 VanDerWaalsContact O-CG 3.26Å; L146-L150 WeakPolarHBondContact O-CG 3.46Å; L146-L150 PolarHBondContact O-N 3.13Å; Q147-L150 PolarHBondContact O-N 3.5Å; E148-L150 PolarHBondContact O-N 3.04Å; L150-A154 WeakPolarHBondContact O-CB 3.45Å; L150-A154 PolarHBondContact O-N 2.97Å; L150-A154 VanDerWaalsContact O-N 3.1Å
151Q96.3Very high93.9Very high112 Ų112103.5 Ų103.552%0.52350%0.497SS..Hα-helixtrans-69.3-51.3173.1-69.9172.7-2.900111.1Q147 E148 R153 A154 E155Q147-Q151 WeakPolarHBondContact O-CG 3.36Å; Q147-Q151 PolarHBondContact O-N 2.98Å; E148-Q151 WeakPolarHBondContact O-CA 3.29Å; E148-Q151 WeakPolarHBondContact O-CB 3.29Å; E148-Q151 PolarHBondContact O-N 2.96Å; Q151-R153 VanDerWaalsContact C-N 3.27Å; Q151-R153 PolarHBondContact O-N 3.44Å; Q151-A154 WeakPolarHBondContact O-CA 3.47Å; Q151-A154 WeakPolarHBondContact O-CB 3.35Å; Q151-A154 PolarHBondContact O-N 2.93Å; Q151-E155 PolarHBondContact O-N 3.31Å
152E96.8Very high94.5Very high89 Ų89103.5 Ų103.542%0.41651%0.505SS..Hα-helixtrans-49.4-48.5173.7-69.8174.3157.100110.9E148 C149 A154 E155 L156E148-E152 WeakPolarHBondContact O-CG 3.47Å; E148-E152 PolarHBondContact O-N 3.21Å; C149-E152 WeakPolarHBondContact CA-OE2 3.2Å; C149-E152 PolarHBondContact SG-OE2 3.14Å; C149-E152 VanDerWaalsContact SG-OE2 3.32Å; E152-A154 PolarHBondContact O-N 3.05Å; E152-E155 PolarHBondContact O-N 3.29Å; E152-L156 WeakPolarHBondContact O-CB 3.41Å; E152-L156 VanDerWaalsContact O-CG 3.31Å; E152-L156 WeakPolarHBondContact O-CG 2.97Å; E152-L156 PolarHBondContact O-N 3.3Å
153R94.8Very high95.1Very high159 Ų159100.4 Ų100.460%0.650%0.495SS*.Hα-helixtrans-61.8-38.8177175.9-179.6165.9-144.3-5.8112.9C149 Q151 E155 L157C149-R153 WeakPolarHBondContact O-CB 3.44Å; C149-R153 PolarHBondContact O-N 3.45Å; Q151-R153 VanDerWaalsContact C-N 3.27Å; Q151-R153 PolarHBondContact O-N 3.44Å; R153-E155 VanDerWaalsContact C-N 3.35Å; R153-L157 HydrophobicContact CG-CD1 4.21Å; R153-L157 WeakPolarHBondContact O-CB 3.38Å; R153-L157 WeakPolarHBondContact O-CD1 3.36Å; R153-L157 VanDerWaalsContact O-CG 3.26Å; R153-L157 WeakPolarHBondContact O-CG 3.42Å; R153-L157 PolarHBondContact O-N 2.86Å; R153-L157 VanDerWaalsContact O-N 3.12Å
154A96.6Very high95.5Very high37 Ų37100 Ų10031%0.30649%0.491SS..Hα-helixtrans-71.6-29.4178.600000112.5L150 Q151 E152 R158L150-A154 WeakPolarHBondContact O-CB 3.45Å; L150-A154 PolarHBondContact O-N 2.97Å; L150-A154 VanDerWaalsContact O-N 3.1Å; Q151-A154 WeakPolarHBondContact O-CA 3.47Å; Q151-A154 WeakPolarHBondContact O-CB 3.35Å; Q151-A154 PolarHBondContact O-N 2.93Å; E152-A154 PolarHBondContact O-N 3.05Å; A154-R158 WeakPolarHBondContact O-CG 3.49Å; A154-R158 PolarHBondContact O-N 3.27Å; A154-R158 PolarHBondContact O-NH1 3Å
155E97.4Very high95.9Very high122 Ų122101.8 Ų101.857%0.5749%0.491SS*.Hα-helixtrans-74.5-50.3173.1-66.7-174.3160.700111.3Q151 E152 R153 L157 R158 E159Q151-E155 PolarHBondContact O-N 3.31Å; E152-E155 PolarHBondContact O-N 3.29Å; R153-E155 VanDerWaalsContact C-N 3.35Å; E155-L157 PolarHBondContact O-N 3.39Å; E155-R158 WeakPolarHBondContact O-CA 3.27Å; E155-R158 WeakPolarHBondContact O-CB 3.37Å; E155-R158 PolarHBondContact O-N 2.85Å; E155-E159 PolarHBondContact O-N 2.95Å
156L97.4Very high96.2Very high109 Ų10999.4 Ų99.457%0.57149%0.486SS*.Hα-helixtrans-56.1-34.2176.2-71.3169000113.1E152 Q160E152-L156 WeakPolarHBondContact O-CB 3.41Å; E152-L156 VanDerWaalsContact O-CG 3.31Å; E152-L156 WeakPolarHBondContact O-CG 2.97Å; E152-L156 PolarHBondContact O-N 3.3Å; L156-Q160 VanDerWaalsContact O-CB 3.29Å; L156-Q160 WeakPolarHBondContact O-CB 3.37Å; L156-Q160 PolarHBondContact O-N 3.37Å
157L96.8Very high96.3Very high80 Ų80102.9 Ų102.942%0.41949%0.491SS..Hα-helixtrans-68.1-39.8173.2-76.6168.9000112.7R153 E155 Q160 E161R153-L157 HydrophobicContact CG-CD1 4.21Å; R153-L157 WeakPolarHBondContact O-CB 3.38Å; R153-L157 WeakPolarHBondContact O-CD1 3.36Å; R153-L157 VanDerWaalsContact O-CG 3.26Å; R153-L157 WeakPolarHBondContact O-CG 3.42Å; R153-L157 PolarHBondContact O-N 2.86Å; R153-L157 VanDerWaalsContact O-N 3.12Å; E155-L157 PolarHBondContact O-N 3.39Å; L157-Q160 PolarHBondContact O-N 3.05Å; L157-E161 PolarHBondContact O-N 2.89Å
158R97.3Very high96.3Very high163 Ų163102.2 Ų102.262%0.61549%0.488SS*.Hα-helixtrans-67.1-40174.9-68.8175.3-171.5112.6-8.8111.5A154 E155 E161 A162A154-R158 WeakPolarHBondContact O-CG 3.49Å; A154-R158 PolarHBondContact O-N 3.27Å; A154-R158 PolarHBondContact O-NH1 3Å; E155-R158 WeakPolarHBondContact O-CA 3.27Å; E155-R158 WeakPolarHBondContact O-CB 3.37Å; E155-R158 PolarHBondContact O-N 2.85Å; R158-E161 PolarHBondContact O-N 2.92Å; R158-A162 WeakPolarHBondContact O-CB 3.49Å; R158-A162 PolarHBondContact O-N 3.44Å
159E97.6Very high96.5Very high129 Ų129105.3 Ų105.360%0.60350%0.496SS*.Hα-helixtrans-63.8-43.3173.8-67.3-166.7143.800111.8E155 E161 A162 A163E155-E159 PolarHBondContact O-N 2.95Å; E159-E161 PolarHBondContact O-N 3.15Å; E159-A162 PolarHBondContact O-N 2.99Å; E159-A163 VanDerWaalsContact O-CB 3.29Å; E159-A163 WeakPolarHBondContact O-CB 3.47Å; E159-A163 PolarHBondContact O-N 3.5Å
160Q95.2Very high96.5Very high135 Ų135106.8 Ų106.863%0.63150%0.501SS*.Hα-helixtrans-59.7-44.1174.7-177.4-178.587.400111.6L156 L157 K164L156-Q160 VanDerWaalsContact O-CB 3.29Å; L156-Q160 WeakPolarHBondContact O-CB 3.37Å; L156-Q160 PolarHBondContact O-N 3.37Å; L157-Q160 PolarHBondContact O-N 3.05Å; Q160-K164 WeakPolarHBondContact O-CB 3.24Å; Q160-K164 PolarHBondContact O-N 2.93Å
161E97Very high96.7Very high105 Ų105103.9 Ų103.949%0.49149%0.492SS..Hα-helixtrans-62.7-44.1173.9-84.7-165.1-14200112.8L157 R158 E159 K164 K165L157-E161 PolarHBondContact O-N 2.89Å; R158-E161 PolarHBondContact O-N 2.92Å; E159-E161 PolarHBondContact O-N 3.15Å; E161-K164 PolarHBondContact O-N 3.45Å; E161-K165 WeakPolarHBondContact O-CB 3.49Å; E161-K165 WeakPolarHBondContact O-CD 3.44Å; E161-K165 VanDerWaalsContact O-CG 3.26Å; E161-K165 WeakPolarHBondContact O-CG 3.42Å; E161-K165 PolarHBondContact O-N 3.4Å; E161-K165 IonicContact OE2-NZ 3.18Å; E161-K165 PolarHBondContact OE2-NZ 3.06Å
162A97.6Very high96.7Very high58 Ų58103.6 Ų103.648%0.47949%0.49SS..Hα-helixtrans-63.9-45.6178.600000111.3R158 E159 K164 K165 Q166R158-A162 WeakPolarHBondContact O-CB 3.49Å; R158-A162 PolarHBondContact O-N 3.44Å; E159-A162 PolarHBondContact O-N 2.99Å; A162-K164 VanDerWaalsContact C-N 3.32Å; A162-K164 PolarHBondContact O-N 2.88Å; A162-K165 PolarHBondContact O-N 3.1Å; A162-Q166 WeakPolarHBondContact O-CB 3.38Å; A162-Q166 PolarHBondContact O-N 3.41Å
163A97Very high96.7Very high40 Ų40103.2 Ų103.233%0.33149%0.491SS..Hα-helixtrans-64.9-33.3176.300000112.6E159 R167E159-A163 VanDerWaalsContact O-CB 3.29Å; E159-A163 WeakPolarHBondContact O-CB 3.47Å; E159-A163 PolarHBondContact O-N 3.5Å; A163-R167 WeakPolarHBondContact O-CG 3.34Å; A163-R167 PolarHBondContact O-N 3.26Å; A163-R167 VanDerWaalsContact O-N 3.13Å
164K95Very high96.8Very high125 Ų125102.7 Ų102.754%0.54349%0.49SS..Hα-helixtrans-66.1-52.7171.7179.9-178.7168.4-176.60111Q160 E161 A162 Q166 R167 E168Q160-K164 WeakPolarHBondContact O-CB 3.24Å; Q160-K164 PolarHBondContact O-N 2.93Å; E161-K164 PolarHBondContact O-N 3.45Å; A162-K164 VanDerWaalsContact C-N 3.32Å; A162-K164 PolarHBondContact O-N 2.88Å; K164-Q166 PolarHBondContact O-N 3.02Å; K164-R167 PolarHBondContact O-N 3.47Å; K164-R167 VanDerWaalsContact O-N 3.15Å; K164-E168 WeakPolarHBondContact CE-OE1 3.24Å; K164-E168 IonicContact NZ-OE1 3.07Å; K164-E168 WeakPolarHBondContact O-CG 3.49Å; K164-E168 PolarHBondContact O-N 3.45Å
165K97.5Very high96.8Very high100 Ų100106.9 Ų106.944%0.43550%0.502SS..Hα-helixtrans-59.2-32.7179-70.2162.5-168.8165.30112E161 A162 R169E161-K165 WeakPolarHBondContact O-CB 3.49Å; E161-K165 WeakPolarHBondContact O-CD 3.44Å; E161-K165 VanDerWaalsContact O-CG 3.26Å; E161-K165 WeakPolarHBondContact O-CG 3.42Å; E161-K165 PolarHBondContact O-N 3.4Å; E161-K165 IonicContact OE2-NZ 3.18Å; E161-K165 PolarHBondContact OE2-NZ 3.06Å; A162-K165 PolarHBondContact O-N 3.1Å; K165-R169 WeakPolarHBondContact O-CD 3.37Å; K165-R169 WeakPolarHBondContact O-CG 3.48Å; K165-R169 PolarHBondContact O-N 2.72Å
166Q95.9Very high96.9Very high83 Ų83106.3 Ų106.339%0.38849%0.494SS..Hα-helixtrans-71.6-47.7174.3-168.255.937.100112.2A162 K164 E168 R169 D170A162-Q166 WeakPolarHBondContact O-CB 3.38Å; A162-Q166 PolarHBondContact O-N 3.41Å; K164-Q166 PolarHBondContact O-N 3.02Å; Q166-E168 PolarHBondContact O-N 2.96Å; Q166-R169 WeakPolarHBondContact O-CB 3.47Å; Q166-R169 PolarHBondContact O-N 3.02Å; Q166-D170 PolarHBondContact NE2-OD1 3.07Å; Q166-D170 PolarHBondContact O-N 3.17Å
167R96.4Very high96.9Very high184 Ų184106 Ų10669%0.69449%0.49SS*.Hα-helixtrans-58.2-34.1174.9-72179.6-132-179.40.5113.1A163 K164 G171A163-R167 WeakPolarHBondContact O-CG 3.34Å; A163-R167 PolarHBondContact O-N 3.26Å; A163-R167 VanDerWaalsContact O-N 3.13Å; K164-R167 PolarHBondContact O-N 3.47Å; K164-R167 VanDerWaalsContact O-N 3.15Å; R167-G171 PolarHBondContact O-N 3.28Å
168E96.3Very high96.8Very high98 Ų98107.3 Ų107.346%0.45849%0.492SS..Hα-helixtrans-64.5-45.4175-73.6167.7165.600111.1K164 Q166 G171 E172K164-E168 WeakPolarHBondContact CE-OE1 3.24Å; K164-E168 IonicContact NZ-OE1 3.07Å; K164-E168 WeakPolarHBondContact O-CG 3.49Å; K164-E168 PolarHBondContact O-N 3.45Å; Q166-E168 PolarHBondContact O-N 2.96Å; E168-G171 PolarHBondContact O-N 2.95Å; E168-E172 PolarHBondContact O-N 2.92Å
169R97.3Very high96.9Very high145 Ų145104.8 Ų104.855%0.54749%0.488SS..Hα-helixtrans-62.9-50.4173.1-67.8163.8178.4176.5-2.8112.5K165 Q166 G171 E172 D173K165-R169 WeakPolarHBondContact O-CD 3.37Å; K165-R169 WeakPolarHBondContact O-CG 3.48Å; K165-R169 PolarHBondContact O-N 2.72Å; Q166-R169 WeakPolarHBondContact O-CB 3.47Å; Q166-R169 PolarHBondContact O-N 3.02Å; R169-G171 PolarHBondContact O-N 2.98Å; R169-E172 CarbonylContact O-C 3.6Å; R169-E172 WeakPolarHBondContact O-CA 3.41Å; R169-E172 WeakPolarHBondContact O-CB 3.27Å; R169-E172 PolarHBondContact O-N 3.27Å; R169-D173 PolarHBondContact O-N 3.33Å
170D95.9Very high96.9Very high82 Ų82104.4 Ų104.444%0.43949%0.486SS..Hα-helixtrans-56.7-39178.6-56.9-29.9000110.7Q166 Y174Q166-D170 PolarHBondContact NE2-OD1 3.07Å; Q166-D170 PolarHBondContact O-N 3.17Å; D170-Y174 VanDerWaalsContact O-CB 3.28Å; D170-Y174 WeakPolarHBondContact O-CB 3.4Å; D170-Y174 PolarHBondContact O-N 3.38Å
171G97.7Very high97Very high26 Ų26105.6 Ų105.627%0.26849%0.485SS..Hα-helixtrans-68.6-27.7173.800000114.5R167 E168 R169 K175R167-G171 PolarHBondContact O-N 3.28Å; E168-G171 PolarHBondContact O-N 2.95Å; R169-G171 PolarHBondContact O-N 2.98Å; G171-K175 WeakPolarHBondContact O-CB 3.31Å; G171-K175 WeakPolarHBondContact O-CD 3.34Å; G171-K175 WeakPolarHBondContact O-CE 3.34Å; G171-K175 WeakPolarHBondContact O-CG 3.46Å; G171-K175 PolarHBondContact O-N 3.08Å
172E97.3Very high97Very high106 Ų106102.6 Ų102.650%0.49547%0.472SS..Hα-helixtrans-78.9-41.1171.4-74.9-176.6-179.800112.9E168 R169 K175 R176E168-E172 PolarHBondContact O-N 2.92Å; R169-E172 CarbonylContact O-C 3.6Å; R169-E172 WeakPolarHBondContact O-CA 3.41Å; R169-E172 WeakPolarHBondContact O-CB 3.27Å; R169-E172 PolarHBondContact O-N 3.27Å; E172-K175 PolarHBondContact O-N 3.3Å; E172-R176 WeakPolarHBondContact O-CB 3.42Å; E172-R176 WeakPolarHBondContact O-CG 3.21Å; E172-R176 PolarHBondContact O-N 2.94Å
173D96.9Very high97Very high82 Ų82106.4 Ų106.444%0.43947%0.474SS..Hα-helixtrans-60.3-47.6172.8-83.4-75.9000110.5R169 K175 R176 E177R169-D173 PolarHBondContact O-N 3.33Å; D173-K175 PolarHBondContact O-N 2.91Å; D173-R176 PolarHBondContact O-N 2.98Å; D173-R176 VanDerWaalsContact O-N 3.12Å; D173-R176 IonicContact OD1-CZ 2.68Å; D173-R176 VanDerWaalsContact OD1-CZ 3.31Å; D173-R176 IonicContact OD1-NH1 4Å; D173-R176 PolarHBondContact OD1-NH1 2.93Å; D173-R176 IonicContact OD1-NH2 3.69Å; D173-R176 PolarHBondContact OD1-NH2 2.96Å; D173-R176 IonicContact OD2-CZ 3.62Å; D173-R176 IonicContact OD2-NH1 3.99Å; D173-R176 IonicContact OD2-NH2 2.76Å; D173-R176 PolarHBondContact OD2-NH2 2.86Å; D173-E177 PolarHBondContact O-N 2.89Å
174Y96.9Very high97Very high147 Ų147109.7 Ų109.758%0.57648%0.482SS*.Hα-helixtrans-59.7-41.2173.6178.8-101.5000112.9D170 K178D170-Y174 VanDerWaalsContact O-CB 3.28Å; D170-Y174 WeakPolarHBondContact O-CB 3.4Å; D170-Y174 PolarHBondContact O-N 3.38Å; Y174-K178 HydrophobicContact CE1-CD 4.37Å; Y174-K178 WeakPolarHBondContact O-CB 3.43Å; Y174-K178 PolarHBondContact O-N 3.41Å
175K97.5Very high97.2Very high125 Ų125109.1 Ų109.154%0.54348%0.477SS..Hα-helixtrans-62.2-43.7173.1-75.6162-164.1164.30111.4G171 E172 D173 Q179G171-K175 WeakPolarHBondContact O-CB 3.31Å; G171-K175 WeakPolarHBondContact O-CD 3.34Å; G171-K175 WeakPolarHBondContact O-CE 3.34Å; G171-K175 WeakPolarHBondContact O-CG 3.46Å; G171-K175 PolarHBondContact O-N 3.08Å; E172-K175 PolarHBondContact O-N 3.3Å; D173-K175 PolarHBondContact O-N 2.91Å; K175-Q179 WeakPolarHBondContact O-CB 3.27Å; K175-Q179 VanDerWaalsContact O-CG 3.24Å; K175-Q179 WeakPolarHBondContact O-CG 3.4Å; K175-Q179 PolarHBondContact O-N 3.39Å
176R97.7Very high97.2Very high110 Ų110109.2 Ų109.242%0.41547%0.474SS..Hα-helixtrans-65.1-43.6179.4-78.7-176.9-87.5109.7-1.2111.5E172 D173 Q179 Q180E172-R176 WeakPolarHBondContact O-CB 3.42Å; E172-R176 WeakPolarHBondContact O-CG 3.21Å; E172-R176 PolarHBondContact O-N 2.94Å; D173-R176 PolarHBondContact O-N 2.98Å; D173-R176 VanDerWaalsContact O-N 3.12Å; D173-R176 IonicContact OD1-CZ 2.68Å; D173-R176 VanDerWaalsContact OD1-CZ 3.31Å; D173-R176 IonicContact OD1-NH1 4Å; D173-R176 PolarHBondContact OD1-NH1 2.93Å; D173-R176 IonicContact OD1-NH2 3.69Å; D173-R176 PolarHBondContact OD1-NH2 2.96Å; D173-R176 IonicContact OD2-CZ 3.62Å; D173-R176 IonicContact OD2-NH1 3.99Å; D173-R176 IonicContact OD2-NH2 2.76Å; D173-R176 PolarHBondContact OD2-NH2 2.86Å; R176-Q179 PolarHBondContact O-N 3.31Å; R176-Q180 WeakPolarHBondContact O-CG 3.41Å; R176-Q180 PolarHBondContact O-N 3.13Å; R176-Q180 VanDerWaalsContact O-N 3.12Å
177E97.5Very high97.3Very high102 Ų102106.5 Ų106.548%0.47747%0.469SS..Hα-helixtrans-65.7-48.2176-159.4-156.7156.100111.2D173 Q179 Q180 W181D173-E177 PolarHBondContact O-N 2.89Å; E177-Q179 VanDerWaalsContact C-N 3.28Å; E177-Q179 PolarHBondContact O-N 3.16Å; E177-Q180 WeakPolarHBondContact O-CA 3.35Å; E177-Q180 WeakPolarHBondContact O-CB 3.49Å; E177-Q180 PolarHBondContact O-N 3.17Å; E177-W181 PolarHBondContact O-N 3.31Å; E177-W181 PolarHBondContact OE1-NE1 3.14Å
178K96.3Very high97.4Very high109 Ų109102.3 Ų102.347%0.47446%0.46SS..Hα-helixtrans-56.1-42.3175.6-176.2173-179.1174.80111.8Y174 Q180 W181 D182Y174-K178 HydrophobicContact CE1-CD 4.37Å; Y174-K178 WeakPolarHBondContact O-CB 3.43Å; Y174-K178 PolarHBondContact O-N 3.41Å; K178-Q180 VanDerWaalsContact C-N 3.29Å; K178-Q180 PolarHBondContact O-N 2.88Å; K178-W181 PolarHBondContact O-N 3.04Å; K178-D182 WeakPolarHBondContact O-CB 3.28Å; K178-D182 PolarHBondContact O-N 3.4Å
179Q97.7Very high97.4Very high110 Ų110101.7 Ų101.751%0.51446%0.457SS..Hα-helixtrans-65.6-26.8174.1-74.9175.81100113.8K175 R176 E177 R183K175-Q179 WeakPolarHBondContact O-CB 3.27Å; K175-Q179 VanDerWaalsContact O-CG 3.24Å; K175-Q179 WeakPolarHBondContact O-CG 3.4Å; K175-Q179 PolarHBondContact O-N 3.39Å; R176-Q179 PolarHBondContact O-N 3.31Å; E177-Q179 VanDerWaalsContact C-N 3.28Å; E177-Q179 PolarHBondContact O-N 3.16Å; Q179-R183 WeakPolarHBondContact O-CB 3.49Å; Q179-R183 WeakPolarHBondContact O-CG 3.47Å; Q179-R183 PolarHBondContact O-N 3.16Å; Q179-R183 PolarHBondContact O-NE 2.92Å
180Q97.6Very high97.5Very high121 Ų121102.5 Ų102.557%0.56546%0.46SS*.Hα-helixtrans-74.5-48.1171.9-69.8177.73900110.7R176 E177 K178 D182 R183 H184R176-Q180 WeakPolarHBondContact O-CG 3.41Å; R176-Q180 PolarHBondContact O-N 3.13Å; R176-Q180 VanDerWaalsContact O-N 3.12Å; E177-Q180 WeakPolarHBondContact O-CA 3.35Å; E177-Q180 WeakPolarHBondContact O-CB 3.49Å; E177-Q180 PolarHBondContact O-N 3.17Å; K178-Q180 VanDerWaalsContact C-N 3.29Å; K178-Q180 PolarHBondContact O-N 2.88Å; Q180-D182 PolarHBondContact O-N 2.96Å; Q180-R183 WeakPolarHBondContact O-CB 3.45Å; Q180-R183 PolarHBondContact O-N 2.94Å; Q180-R183 VanDerWaalsContact O-N 3.09Å; Q180-H184 PolarHBondContact O-N 3.05Å
181W97.3Very high97.6Very high160 Ų160102.5 Ų102.561%0.60646%0.457SS*.Hα-helixtrans-56-46.1173.5-78.8114.1000112.6E177 K178 R183 H184 R185E177-W181 PolarHBondContact O-N 3.31Å; E177-W181 PolarHBondContact OE1-NE1 3.14Å; K178-W181 PolarHBondContact O-N 3.04Å; W181-R183 VanDerWaalsContact C-N 3.3Å; W181-R183 PolarHBondContact O-N 3.45Å; W181-H184 PolarHBondContact O-N 3.31Å; W181-R185 VanDerWaalsContact O-CB 3.27Å; W181-R185 WeakPolarHBondContact O-CB 3.35Å; W181-R185 PolarHBondContact O-N 3.19Å
182D97.4Very high97.6Very high42 Ų42104.8 Ų104.823%0.22547%0.466CS..Hα-helixtrans-64.5-31.4176.5-96.6-41.3000113.2K178 Q180 R185 R186K178-D182 WeakPolarHBondContact O-CB 3.28Å; K178-D182 PolarHBondContact O-N 3.4Å; Q180-D182 PolarHBondContact O-N 2.96Å; D182-R185 IonicContact OD1-CZ 3.91Å; D182-R185 IonicContact OD1-NE 3.05Å; D182-R185 PolarHBondContact OD1-NE 3.04Å; D182-R185 IonicContact OD1-NH2 2.77Å; D182-R185 PolarHBondContact OD1-NH2 2.79Å; D182-R186 WeakPolarHBondContact O-CB 3.3Å; D182-R186 WeakPolarHBondContact O-CG 3.46Å; D182-R186 PolarHBondContact O-N 3.27Å; D182-R186 VanDerWaalsContact O-N 3.16Å; D182-R186 PolarHBondContact O-NH1 2.82Å; D182-R186 IonicContact OD1-NH1 2.76Å
183R98.1Very high97.6Very high138 Ų138103.1 Ų103.152%0.52147%0.466SS..Hα-helixtrans-72.8-41.5172.5-83.6177.4-74.2-169.8-3111.9Q179 Q180 W181 G187Q179-R183 WeakPolarHBondContact O-CB 3.49Å; Q179-R183 WeakPolarHBondContact O-CG 3.47Å; Q179-R183 PolarHBondContact O-N 3.16Å; Q179-R183 PolarHBondContact O-NE 2.92Å; Q180-R183 WeakPolarHBondContact O-CB 3.45Å; Q180-R183 PolarHBondContact O-N 2.94Å; Q180-R183 VanDerWaalsContact O-N 3.09Å; W181-R183 VanDerWaalsContact C-N 3.3Å; W181-R183 PolarHBondContact O-N 3.45Å; R183-G187 PolarHBondContact O-N 3.16Å
184H97.9Very high97.7Very high109 Ų109104 Ų10451%0.50546%0.463SS..Hα-helixtrans-66.3-46.4177.6-174.864.2000111.3Q180 W181 R186 G187 L188Q180-H184 PolarHBondContact O-N 3.05Å; W181-H184 PolarHBondContact O-N 3.31Å; H184-R186 PolarHBondContact O-N 2.83Å; H184-G187 VanDerWaalsContact O-CA 3.31Å; H184-G187 WeakPolarHBondContact O-CA 3.48Å; H184-G187 PolarHBondContact O-N 2.85Å; H184-L188 PolarHBondContact O-N 3.17Å
185R97.7Very high97.7Very high113 Ų113101.2 Ų101.243%0.42646%0.458SS..Hα-helixtrans-54-51.3172.7-179-179.563.484.3-4.6111.7W181 D182 G187 L188 E189W181-R185 VanDerWaalsContact O-CB 3.27Å; W181-R185 WeakPolarHBondContact O-CB 3.35Å; W181-R185 PolarHBondContact O-N 3.19Å; D182-R185 IonicContact OD1-CZ 3.91Å; D182-R185 IonicContact OD1-NE 3.05Å; D182-R185 PolarHBondContact OD1-NE 3.04Å; D182-R185 IonicContact OD1-NH2 2.77Å; D182-R185 PolarHBondContact OD1-NH2 2.79Å; R185-G187 PolarHBondContact O-N 3.24Å; R185-L188 PolarHBondContact O-N 3.04Å; R185-L188 VanDerWaalsContact O-N 3.14Å; R185-E189 HydrophobicContact CG-CG 4.36Å; R185-E189 VanDerWaalsContact CG-OE1 3.27Å; R185-E189 WeakPolarHBondContact CG-OE1 3.38Å; R185-E189 IonicContact CZ-OE1 3.67Å; R185-E189 IonicContact CZ-OE2 3.53Å; R185-E189 IonicContact NE-OE1 2.78Å; R185-E189 VanDerWaalsContact NH1-CD 3.27Å; R185-E189 IonicContact NH1-OE1 2.65Å; R185-E189 PolarHBondContact NH1-OE1 2.86Å; R185-E189 IonicContact NH1-OE2 2.69Å; R185-E189 PolarHBondContact NH1-OE2 3.2Å; R185-E189 VanDerWaalsContact NH1-OE2 3.07Å; R185-E189 WeakPolarHBondContact O-CB 3.23Å; R185-E189 VanDerWaalsContact O-CG 3.31Å; R185-E189 WeakPolarHBondContact O-CG 3.46Å; R185-E189 PolarHBondContact O-N 3.38Å
186R98.1Very high97.7Very high101 Ų101102.1 Ų102.138%0.38146%0.461SS..Hα-helixtrans-63.4-23.6174.7-76-170.3-63.9-83.22.8113.9D182 H184 E189 R190D182-R186 WeakPolarHBondContact O-CB 3.3Å; D182-R186 WeakPolarHBondContact O-CG 3.46Å; D182-R186 PolarHBondContact O-N 3.27Å; D182-R186 VanDerWaalsContact O-N 3.16Å; D182-R186 PolarHBondContact O-NH1 2.82Å; D182-R186 IonicContact OD1-NH1 2.76Å; H184-R186 PolarHBondContact O-N 2.83Å; R186-E189 WeakPolarHBondContact CA-OE2 3.47Å; R186-R190 WeakPolarHBondContact O-CG 3.35Å; R186-R190 VanDerWaalsContact O-CZ 3.29Å; R186-R190 PolarHBondContact O-N 3.27Å; R186-R190 PolarHBondContact O-NE 3.22Å
187G98.2Very high97.7Very high27 Ų27102.6 Ų102.628%0.27847%0.469SS..Hα-helixtrans-67.6-53.6169.500000111.5R183 H184 R185 E189 R190 E191R183-G187 PolarHBondContact O-N 3.16Å; H184-G187 VanDerWaalsContact O-CA 3.31Å; H184-G187 WeakPolarHBondContact O-CA 3.48Å; H184-G187 PolarHBondContact O-N 2.85Å; R185-G187 PolarHBondContact O-N 3.24Å; G187-E189 PolarHBondContact O-N 3.48Å; G187-R190 PolarHBondContact O-N 3.39Å; G187-E191 PolarHBondContact O-N 2.94Å
188L97.5Very high97.7Very high95 Ų95101.9 Ų101.950%0.49747%0.465SS..Hα-helixtrans-62.2-38.7177.4-64176.1000112.5H184 R185 R190 E191 V192H184-L188 PolarHBondContact O-N 3.17Å; R185-L188 PolarHBondContact O-N 3.04Å; R185-L188 VanDerWaalsContact O-N 3.14Å; L188-R190 PolarHBondContact O-N 2.86Å; L188-E191 PolarHBondContact O-N 2.96Å; L188-V192 WeakPolarHBondContact O-CB 3.2Å; L188-V192 VanDerWaalsContact O-CG2 3.31Å; L188-V192 WeakPolarHBondContact O-CG2 3.1Å; L188-V192 PolarHBondContact O-N 3.44Å
189E97.9Very high97.8Very high85 Ų85101.4 Ų101.440%0.39747%0.467SS..Hα-helixtrans-63.7-39.8176.9-73.7164.7169.500112.4R185 R186 G187 S193R185-E189 HydrophobicContact CG-CG 4.36Å; R185-E189 VanDerWaalsContact CG-OE1 3.27Å; R185-E189 WeakPolarHBondContact CG-OE1 3.38Å; R185-E189 IonicContact CZ-OE1 3.67Å; R185-E189 IonicContact CZ-OE2 3.53Å; R185-E189 IonicContact NE-OE1 2.78Å; R185-E189 VanDerWaalsContact NH1-CD 3.27Å; R185-E189 IonicContact NH1-OE1 2.65Å; R185-E189 PolarHBondContact NH1-OE1 2.86Å; R185-E189 IonicContact NH1-OE2 2.69Å; R185-E189 PolarHBondContact NH1-OE2 3.2Å; R185-E189 VanDerWaalsContact NH1-OE2 3.07Å; R185-E189 WeakPolarHBondContact O-CB 3.23Å; R185-E189 VanDerWaalsContact O-CG 3.31Å; R185-E189 WeakPolarHBondContact O-CG 3.46Å; R185-E189 PolarHBondContact O-N 3.38Å; R186-E189 WeakPolarHBondContact CA-OE2 3.47Å; G187-E189 PolarHBondContact O-N 3.48Å; E189-S193 WeakPolarHBondContact O-CB 3.45Å; E189-S193 PolarHBondContact O-N 3.15Å; E189-S193 PolarHBondContact O-OG 3.45Å
190R98.1Very high97.8Very high163 Ų16398.9 Ų98.962%0.61547%0.465SS*.Hα-helixtrans-66.4-42.3172.7-79.6-174.1-110.2103.8-5.5111.9R186 G187 L188 S193 R194R186-R190 WeakPolarHBondContact O-CG 3.35Å; R186-R190 VanDerWaalsContact O-CZ 3.29Å; R186-R190 PolarHBondContact O-N 3.27Å; R186-R190 PolarHBondContact O-NE 3.22Å; G187-R190 PolarHBondContact O-N 3.39Å; L188-R190 PolarHBondContact O-N 2.86Å; R190-S193 PolarHBondContact O-N 3.12Å; R190-R194 PolarHBondContact O-N 2.84Å
191E97.9Very high97.8Very high81 Ų8197.1 Ų97.138%0.37946%0.457SS..Hα-helixtrans-66.7-41.1178.9-175.866.9170.700112.3G187 L188 S193 R194 L195G187-E191 PolarHBondContact O-N 2.94Å; L188-E191 PolarHBondContact O-N 2.96Å; E191-S193 VanDerWaalsContact C-N 3.29Å; E191-S193 PolarHBondContact O-N 3.41Å; E191-R194 VanDerWaalsContact CD-NH2 3.32Å; E191-R194 PolarHBondContact O-N 2.87Å; E191-R194 IonicContact OE1-CZ 3.22Å; E191-R194 IonicContact OE1-NE 3.13Å; E191-R194 IonicContact OE1-NH2 2.72Å; E191-R194 PolarHBondContact OE1-NH2 2.74Å; E191-R194 IonicContact OE2-CZ 2.83Å; E191-R194 IonicContact OE2-NE 3.91Å; E191-R194 PolarHBondContact OE2-NE 2.69Å; E191-R194 IonicContact OE2-NH2 2.69Å; E191-R194 PolarHBondContact OE2-NH2 2.68Å; E191-L195 HydrophobicContact CG-CD1 4.14Å; E191-L195 WeakPolarHBondContact O-CB 3.48Å; E191-L195 VanDerWaalsContact O-CG 3.31Å; E191-L195 WeakPolarHBondContact O-CG 3.35Å; E191-L195 PolarHBondContact O-N 2.85Å
192V97.6Very high97.7Very high74 Ų7492.2 Ų92.245%0.44845%0.447SS..Hα-helixtrans-63.4-35.3172.5167.80000111.5L188 K196L188-V192 WeakPolarHBondContact O-CB 3.2Å; L188-V192 VanDerWaalsContact O-CG2 3.31Å; L188-V192 WeakPolarHBondContact O-CG2 3.1Å; L188-V192 PolarHBondContact O-N 3.44Å; V192-K196 HydrophobicContact CG1-CD 4.26Å; V192-K196 WeakPolarHBondContact O-CB 3.44Å; V192-K196 VanDerWaalsContact O-CG 3.24Å; V192-K196 WeakPolarHBondContact O-CG 3.39Å; V192-K196 PolarHBondContact O-N 3.2Å; V192-K196 VanDerWaalsContact O-N 3.1Å
193S97.8Very high97.6Very high72 Ų7293.8 Ų93.850%0.50346%0.455SS..Hα-helixtrans-69.1-45.2174.7-56.50000111.5E189 R190 E191 L195 K196 E197E189-S193 WeakPolarHBondContact O-CB 3.45Å; E189-S193 PolarHBondContact O-N 3.15Å; E189-S193 PolarHBondContact O-OG 3.45Å; R190-S193 PolarHBondContact O-N 3.12Å; E191-S193 VanDerWaalsContact C-N 3.29Å; E191-S193 PolarHBondContact O-N 3.41Å; S193-L195 PolarHBondContact O-N 3.31Å; S193-K196 PolarHBondContact O-N 2.9Å; S193-E197 PolarHBondContact O-N 2.88Å
194R98.6Very high97.5Very high101 Ų10192.3 Ų92.338%0.38145%0.454SS..Hα-helixtrans-56.8-49.3175-175.4-177.773.380.82.5111.8R190 E191 K196 E197 E198R190-R194 PolarHBondContact O-N 2.84Å; E191-R194 VanDerWaalsContact CD-NH2 3.32Å; E191-R194 PolarHBondContact O-N 2.87Å; E191-R194 IonicContact OE1-CZ 3.22Å; E191-R194 IonicContact OE1-NE 3.13Å; E191-R194 IonicContact OE1-NH2 2.72Å; E191-R194 PolarHBondContact OE1-NH2 2.74Å; E191-R194 IonicContact OE2-CZ 2.83Å; E191-R194 IonicContact OE2-NE 3.91Å; E191-R194 PolarHBondContact OE2-NE 2.69Å; E191-R194 IonicContact OE2-NH2 2.69Å; E191-R194 PolarHBondContact OE2-NH2 2.68Å; R194-K196 VanDerWaalsContact C-N 3.31Å; R194-K196 PolarHBondContact O-N 3.26Å; R194-E197 PolarHBondContact O-N 2.94Å; R194-E198 WeakPolarHBondContact CG-OE1 3.43Å; R194-E198 IonicContact CZ-OE1 2.9Å; R194-E198 IonicContact CZ-OE2 3.66Å; R194-E198 IonicContact NH1-OE1 2.69Å; R194-E198 PolarHBondContact NH1-OE1 3.37Å; R194-E198 IonicContact NH1-OE2 3.29Å; R194-E198 PolarHBondContact NH1-OE2 3.05Å; R194-E198 WeakPolarHBondContact O-CB 3.47Å; R194-E198 WeakPolarHBondContact O-CG 3.42Å; R194-E198 PolarHBondContact O-N 2.88Å
195L97.9Very high97.5Very high88 Ų8892.6 Ų92.646%0.46145%0.454SS..Hα-helixtrans-66.7-30.6179.9-68.7170.7000112.9E191 S193 L199E191-L195 HydrophobicContact CG-CD1 4.14Å; E191-L195 WeakPolarHBondContact O-CB 3.48Å; E191-L195 VanDerWaalsContact O-CG 3.31Å; E191-L195 WeakPolarHBondContact O-CG 3.35Å; E191-L195 PolarHBondContact O-N 2.85Å; S193-L195 PolarHBondContact O-N 3.31Å; L195-L199 VanDerWaalsContact O-CB 3.31Å; L195-L199 WeakPolarHBondContact O-CB 3.22Å; L195-L199 PolarHBondContact O-N 2.9Å
196K97.2Very high97.4Very high143 Ų14391.1 Ų91.162%0.62245%0.454SS*.Hα-helixtrans-70.1-39.2171.6-78.9174.1177.1-174.40112.5V192 S193 R194 L199 A200V192-K196 HydrophobicContact CG1-CD 4.26Å; V192-K196 WeakPolarHBondContact O-CB 3.44Å; V192-K196 VanDerWaalsContact O-CG 3.24Å; V192-K196 WeakPolarHBondContact O-CG 3.39Å; V192-K196 PolarHBondContact O-N 3.2Å; V192-K196 VanDerWaalsContact O-N 3.1Å; S193-K196 PolarHBondContact O-N 2.9Å; R194-K196 VanDerWaalsContact C-N 3.31Å; R194-K196 PolarHBondContact O-N 3.26Å; K196-L199 PolarHBondContact O-N 3.35Å; K196-A200 WeakPolarHBondContact O-CB 3.25Å; K196-A200 PolarHBondContact O-N 3.43Å
197E97.9Very high97.3Very high121 Ų12192.4 Ų92.457%0.56546%0.464SS*.Hα-helixtrans-67.7-43.2176.2-165.1-176.9159.300111S193 R194 L199 A200 Q201S193-E197 PolarHBondContact O-N 2.88Å; R194-E197 PolarHBondContact O-N 2.94Å; E197-L199 VanDerWaalsContact C-N 3.32Å; E197-L199 PolarHBondContact O-N 2.91Å; E197-A200 PolarHBondContact O-N 3.4Å; E197-Q201 WeakPolarHBondContact O-CB 3.39Å; E197-Q201 VanDerWaalsContact O-CG 3.27Å; E197-Q201 WeakPolarHBondContact O-CG 3.28Å; E197-Q201 PolarHBondContact O-N 2.77Å; E197-Q201 PolarHBondContact OE1-NE2 3.37Å
198E97.8Very high97.2Very high86 Ų8695.1 Ų95.140%0.40247%0.47SS..Hα-helixtrans-62.6-36.8174.3-75.4169.3-169.400112.5R194 S202R194-E198 WeakPolarHBondContact CG-OE1 3.43Å; R194-E198 IonicContact CZ-OE1 2.9Å; R194-E198 IonicContact CZ-OE2 3.66Å; R194-E198 IonicContact NH1-OE1 2.69Å; R194-E198 PolarHBondContact NH1-OE1 3.37Å; R194-E198 IonicContact NH1-OE2 3.29Å; R194-E198 PolarHBondContact NH1-OE2 3.05Å; R194-E198 WeakPolarHBondContact O-CB 3.47Å; R194-E198 WeakPolarHBondContact O-CG 3.42Å; R194-E198 PolarHBondContact O-N 2.88Å; E198-S202 WeakPolarHBondContact O-CB 3.37Å; E198-S202 PolarHBondContact O-N 2.87Å; E198-S202 VanDerWaalsContact O-N 3.08Å
199L97.6Very high97.1Very high100 Ų10096.3 Ų96.352%0.52447%0.474SS..Hα-helixtrans-66.1-50.9172.2-179.760.6000111.5L195 K196 E197 Q201 S202 D203L195-L199 VanDerWaalsContact O-CB 3.31Å; L195-L199 WeakPolarHBondContact O-CB 3.22Å; L195-L199 PolarHBondContact O-N 2.9Å; K196-L199 PolarHBondContact O-N 3.35Å; E197-L199 VanDerWaalsContact C-N 3.32Å; E197-L199 PolarHBondContact O-N 2.91Å; L199-Q201 VanDerWaalsContact C-N 3.29Å; L199-Q201 PolarHBondContact O-N 2.91Å; L199-S202 CarbonylContact O-C 3.57Å; L199-S202 WeakPolarHBondContact O-CA 3.23Å; L199-S202 VanDerWaalsContact O-CB 3.25Å; L199-S202 WeakPolarHBondContact O-CB 3.43Å; L199-S202 PolarHBondContact O-N 2.91Å; L199-D203 PolarHBondContact O-N 3.32Å
200A97.8Very high97Very high57 Ų5797.2 Ų97.247%0.47148%0.478SS..Hα-helixtrans-60.3-38.3178.200000112.5K196 E197 S202 D203 Q204K196-A200 WeakPolarHBondContact O-CB 3.25Å; K196-A200 PolarHBondContact O-N 3.43Å; E197-A200 PolarHBondContact O-N 3.4Å; A200-S202 PolarHBondContact O-N 2.69Å; A200-D203 PolarHBondContact O-N 2.9Å; A200-Q204 WeakPolarHBondContact O-CB 3.42Å; A200-Q204 PolarHBondContact O-N 3.19Å
201Q97.3Very high96.9Very high84 Ų8494.2 Ų94.239%0.39347%0.473SS..Hα-helixtrans-69-17.6171.8-72.7-176.829.700113.6E197 L199 K205E197-Q201 WeakPolarHBondContact O-CB 3.39Å; E197-Q201 VanDerWaalsContact O-CG 3.27Å; E197-Q201 WeakPolarHBondContact O-CG 3.28Å; E197-Q201 PolarHBondContact O-N 2.77Å; E197-Q201 PolarHBondContact OE1-NE2 3.37Å; L199-Q201 VanDerWaalsContact C-N 3.29Å; L199-Q201 PolarHBondContact O-N 2.91Å; Q201-K205 WeakPolarHBondContact O-CD 3.33Å; Q201-K205 VanDerWaalsContact O-CE 3.29Å; Q201-K205 WeakPolarHBondContact O-CE 3.5Å; Q201-K205 WeakPolarHBondContact O-CG 3.33Å; Q201-K205 PolarHBondContact O-NZ 2.98Å
202S94.6Very high96.8Very high57 Ų5794.9 Ų94.940%0.39947%0.474SS..Hα-helixtrans-84.7-45.8171.8-172.10000110.3E198 L199 A200 K205 I206E198-S202 WeakPolarHBondContact O-CB 3.37Å; E198-S202 PolarHBondContact O-N 2.87Å; E198-S202 VanDerWaalsContact O-N 3.08Å; L199-S202 CarbonylContact O-C 3.57Å; L199-S202 WeakPolarHBondContact O-CA 3.23Å; L199-S202 VanDerWaalsContact O-CB 3.25Å; L199-S202 WeakPolarHBondContact O-CB 3.43Å; L199-S202 PolarHBondContact O-N 2.91Å; A200-S202 PolarHBondContact O-N 2.69Å; S202-K205 WeakPolarHBondContact O-CB 3.39Å; S202-K205 PolarHBondContact O-N 3.47Å; S202-K205 VanDerWaalsContact O-N 3.08Å; S202-I206 WeakPolarHBondContact O-CG1 3.47Å; S202-I206 PolarHBondContact O-N 2.97Å
203D95.3Very high96.7Very high74 Ų7497.7 Ų97.740%0.39648%0.483SS..Hα-helixtrans-61.6-45.8179.4-61.4-23.1000110.8L199 A200 K205 I206 E207L199-D203 PolarHBondContact O-N 3.32Å; A200-D203 PolarHBondContact O-N 2.9Å; D203-K205 VanDerWaalsContact C-N 3.27Å; D203-K205 PolarHBondContact O-N 3.25Å; D203-I206 WeakPolarHBondContact O-CA 3.46Å; D203-I206 WeakPolarHBondContact O-CB 3.49Å; D203-I206 PolarHBondContact O-N 2.89Å; D203-E207 PolarHBondContact O-N 3.31Å
204Q97.1Very high96.5Very high107 Ų10799.7 Ų99.750%0.548%0.484SS..Hα-helixtrans-56.6-39.1172.7-176.3-169.9-25.900112.3A200 I206 E207 E208A200-Q204 WeakPolarHBondContact O-CB 3.42Å; A200-Q204 PolarHBondContact O-N 3.19Å; Q204-I206 VanDerWaalsContact C-N 3.31Å; Q204-I206 PolarHBondContact O-N 3.14Å; Q204-E207 PolarHBondContact O-N 3.45Å; Q204-E208 PolarHBondContact NE2-OE1 2.95Å; Q204-E208 VanDerWaalsContact O-CB 3.29Å; Q204-E208 WeakPolarHBondContact O-CB 3.5Å; Q204-E208 WeakPolarHBondContact O-CG 3.34Å; Q204-E208 PolarHBondContact O-N 2.92Å
205K96.8Very high96.3Very high115 Ų11599.9 Ų99.950%0.549%0.492SS..Hα-helixtrans-70.8-28.6178.1-71.2172.9-166.51170112Q201 S202 D203 M209Q201-K205 WeakPolarHBondContact O-CD 3.33Å; Q201-K205 VanDerWaalsContact O-CE 3.29Å; Q201-K205 WeakPolarHBondContact O-CE 3.5Å; Q201-K205 WeakPolarHBondContact O-CG 3.33Å; Q201-K205 PolarHBondContact O-NZ 2.98Å; S202-K205 WeakPolarHBondContact O-CB 3.39Å; S202-K205 PolarHBondContact O-N 3.47Å; S202-K205 VanDerWaalsContact O-N 3.08Å; D203-K205 VanDerWaalsContact C-N 3.27Å; D203-K205 PolarHBondContact O-N 3.25Å; K205-M209 WeakPolarHBondContact O-CB 3.44Å; K205-M209 WeakPolarHBondContact O-CG 3.5Å; K205-M209 PolarHBondContact O-N 3.48Å
206I95.8Very high96.2Very high82 Ų82102.5 Ų102.542%0.42150%0.503SS..Hα-helixtrans-70.6-51.8172.8-66.7164000109S202 D203 Q204 E208 M209 E210S202-I206 WeakPolarHBondContact O-CG1 3.47Å; S202-I206 PolarHBondContact O-N 2.97Å; D203-I206 WeakPolarHBondContact O-CA 3.46Å; D203-I206 WeakPolarHBondContact O-CB 3.49Å; D203-I206 PolarHBondContact O-N 2.89Å; Q204-I206 VanDerWaalsContact C-N 3.31Å; Q204-I206 PolarHBondContact O-N 3.14Å; I206-E208 VanDerWaalsContact C-N 3.31Å; I206-E208 PolarHBondContact O-N 3.43Å; I206-M209 CarbonylContact O-C 3.6Å; I206-M209 PolarHBondContact O-N 3.43Å; I206-E210 HydrophobicContact CG2-CG 4.32Å; I206-E210 WeakPolarHBondContact O-CG 3.46Å; I206-E210 PolarHBondContact O-N 2.97Å
207E96.4Very high96.1Very high129 Ų129102.3 Ų102.360%0.60350%0.502SS*.Hα-helixtrans-54.7-45.5175.5-68.6-179.1165.900112D203 Q204 M209 E210 M211D203-E207 PolarHBondContact O-N 3.31Å; Q204-E207 PolarHBondContact O-N 3.45Å; E207-M209 VanDerWaalsContact C-N 3.29Å; E207-M209 PolarHBondContact O-N 3.17Å; E207-E210 PolarHBondContact O-N 3.49Å; E207-M211 WeakPolarHBondContact O-CB 3.36Å; E207-M211 WeakPolarHBondContact O-CG 3.3Å; E207-M211 PolarHBondContact O-N 3.01Å
208E96.8Very high96Very high83 Ų8398.9 Ų98.939%0.38849%0.494SS..Hα-helixtrans-60.3-34.3175.3-92-166.4-133.600113.8Q204 I206 K212Q204-E208 PolarHBondContact NE2-OE1 2.95Å; Q204-E208 VanDerWaalsContact O-CB 3.29Å; Q204-E208 WeakPolarHBondContact O-CB 3.5Å; Q204-E208 WeakPolarHBondContact O-CG 3.34Å; Q204-E208 PolarHBondContact O-N 2.92Å; I206-E208 VanDerWaalsContact C-N 3.31Å; I206-E208 PolarHBondContact O-N 3.43Å; E208-K212 WeakPolarHBondContact O-CD 2.79Å; E208-K212 VanDerWaalsContact O-CE 3.22Å; E208-K212 WeakPolarHBondContact O-CE 3.5Å; E208-K212 WeakPolarHBondContact O-CG 3.42Å; E208-K212 PolarHBondContact O-N 3.39Å; E208-K212 PolarHBondContact O-NZ 3.01Å; E208-K212 IonicContact OE2-NZ 3.66Å; E208-K212 PolarHBondContact OE2-NZ 2.92Å
209M95.3Very high95.9Very high121 Ų121100.9 Ų100.960%0.59651%0.507SS*.Hα-helixtrans-81.5-35177.9-71.5-65.9-5800111.7K205 I206 E207 K212 Q213K205-M209 WeakPolarHBondContact O-CB 3.44Å; K205-M209 WeakPolarHBondContact O-CG 3.5Å; K205-M209 PolarHBondContact O-N 3.48Å; I206-M209 CarbonylContact O-C 3.6Å; I206-M209 PolarHBondContact O-N 3.43Å; E207-M209 VanDerWaalsContact C-N 3.29Å; E207-M209 PolarHBondContact O-N 3.17Å; M209-K212 PolarHBondContact O-N 2.99Å; M209-K212 HydrophobicContact SD-CD 4.22Å; M209-Q213 WeakPolarHBondContact O-CB 3.45Å; M209-Q213 PolarHBondContact O-N 3.26Å
210E95.8Very high95.8Very high103 Ų10397.8 Ų97.848%0.48150%0.5SS..Hα-helixtrans-65.4-40.4172.5-72.2-172.3175.500111.5I206 E207 Q213 Q214I206-E210 HydrophobicContact CG2-CG 4.32Å; I206-E210 WeakPolarHBondContact O-CG 3.46Å; I206-E210 PolarHBondContact O-N 2.97Å; E207-E210 PolarHBondContact O-N 3.49Å; E210-Q213 PolarHBondContact O-N 2.82Å; E210-Q214 WeakPolarHBondContact O-CB 3.42Å; E210-Q214 VanDerWaalsContact O-CG 3.28Å; E210-Q214 WeakPolarHBondContact O-CG 3.17Å; E210-Q214 PolarHBondContact O-N 2.75Å
211M95.6Very high95.7Very high101 Ų10199.1 Ų99.150%0.49850%0.499SS..Hα-helixtrans-61.3-48.4172.4-75.2-59.1-55.500111.6E207 Q213 Q214 D215E207-M211 WeakPolarHBondContact O-CB 3.36Å; E207-M211 WeakPolarHBondContact O-CG 3.3Å; E207-M211 PolarHBondContact O-N 3.01Å; M211-Q213 VanDerWaalsContact C-N 3.28Å; M211-Q213 PolarHBondContact O-N 2.69Å; M211-Q214 WeakPolarHBondContact O-CB 3.35Å; M211-Q214 PolarHBondContact O-N 2.92Å; M211-Q214 VanDerWaalsContact O-N 3.1Å; M211-D215 PolarHBondContact O-N 3.48Å
212K96.1Very high95.7Very high94 Ų9498.6 Ų98.641%0.40950%0.504SS..Hα-helixtrans-59.4-39.2175.6-69.7158.4-160.2152.60111.6E208 M209 D215 E216E208-K212 WeakPolarHBondContact O-CD 2.79Å; E208-K212 VanDerWaalsContact O-CE 3.22Å; E208-K212 WeakPolarHBondContact O-CE 3.5Å; E208-K212 WeakPolarHBondContact O-CG 3.42Å; E208-K212 PolarHBondContact O-N 3.39Å; E208-K212 PolarHBondContact O-NZ 3.01Å; E208-K212 IonicContact OE2-NZ 3.66Å; E208-K212 PolarHBondContact OE2-NZ 2.92Å; M209-K212 PolarHBondContact O-N 2.99Å; M209-K212 HydrophobicContact SD-CD 4.22Å; K212-D215 PolarHBondContact O-N 3.26Å; K212-E216 WeakPolarHBondContact O-CB 3.21Å; K212-E216 WeakPolarHBondContact O-CG 3.23Å; K212-E216 PolarHBondContact O-N 3.4Å
213Q94.5Very high95.7Very high134 Ų134101.3 Ų101.363%0.62651%0.513SS*.Hα-helixtrans-69.3-33.8176.1-169.9177.417.200112.7M209 E210 M211 K217M209-Q213 WeakPolarHBondContact O-CB 3.45Å; M209-Q213 PolarHBondContact O-N 3.26Å; E210-Q213 PolarHBondContact O-N 2.82Å; M211-Q213 VanDerWaalsContact C-N 3.28Å; M211-Q213 PolarHBondContact O-N 2.69Å; Q213-K217 VanDerWaalsContact O-CB 3.23Å; Q213-K217 WeakPolarHBondContact O-CB 3.4Å; Q213-K217 PolarHBondContact O-N 3.2Å
214Q94.6Very high95.8Very high113 Ų113100.1 Ų100.153%0.52851%0.514SS..Hα-helixtrans-67.9-43.1172.8-74.9174.261.400111.4E210 M211 K217 A218E210-Q214 WeakPolarHBondContact O-CB 3.42Å; E210-Q214 VanDerWaalsContact O-CG 3.28Å; E210-Q214 WeakPolarHBondContact O-CG 3.17Å; E210-Q214 PolarHBondContact O-N 2.75Å; M211-Q214 WeakPolarHBondContact O-CB 3.35Å; M211-Q214 PolarHBondContact O-N 2.92Å; M211-Q214 VanDerWaalsContact O-N 3.1Å; Q214-K217 PolarHBondContact O-N 3.09Å; Q214-A218 WeakPolarHBondContact O-CB 3.08Å; Q214-A218 PolarHBondContact O-N 2.88Å
215D94.8Very high95.7Very high105 Ų105101.4 Ų101.456%0.56152%0.519SS*.Hα-helixtrans-63.8-46.8175.2-71.7-25000111.8M211 K212 K217 A218 L219M211-D215 PolarHBondContact O-N 3.48Å; K212-D215 PolarHBondContact O-N 3.26Å; D215-K217 VanDerWaalsContact C-N 3.3Å; D215-K217 PolarHBondContact O-N 2.87Å; D215-A218 PolarHBondContact O-N 3.22Å; D215-L219 WeakPolarHBondContact O-CB 3.29Å; D215-L219 PolarHBondContact O-N 3.18Å
216E94.8Very high95.6Very high144 Ų144101.8 Ų101.867%0.67352%0.523SS*.Hα-helixtrans-59.2-40.5174.5-78.8-176.3173.700111.9K212 G220K212-E216 WeakPolarHBondContact O-CB 3.21Å; K212-E216 WeakPolarHBondContact O-CG 3.23Å; K212-E216 PolarHBondContact O-N 3.4Å; E216-G220 PolarHBondContact O-N 2.87Å
217K94.9Very high95.6Very high138 Ų138105 Ų10560%0.653%0.534SS*.Hα-helixtrans-67.3-46.5176.3-174.8-169.6169.8-164.10111.5Q213 Q214 D215 L219 G220 D221Q213-K217 VanDerWaalsContact O-CB 3.23Å; Q213-K217 WeakPolarHBondContact O-CB 3.4Å; Q213-K217 PolarHBondContact O-N 3.2Å; Q214-K217 PolarHBondContact O-N 3.09Å; D215-K217 VanDerWaalsContact C-N 3.3Å; D215-K217 PolarHBondContact O-N 2.87Å; K217-L219 VanDerWaalsContact C-N 3.32Å; K217-L219 PolarHBondContact O-N 2.93Å; K217-G220 CarbonylContact O-C 3.47Å; K217-G220 WeakPolarHBondContact O-CA 3.35Å; K217-G220 PolarHBondContact O-N 2.93Å; K217-G220 VanDerWaalsContact O-N 3.09Å; K217-D221 WeakPolarHBondContact CE-OD2 3.47Å; K217-D221 PolarHBondContact O-N 3.02Å
218A96.1Very high95.7Very high50 Ų50102.8 Ų102.841%0.41353%0.529SS..Hα-helixtrans-60.9-42.1178.300000111.3Q214 D215 G220 D221 C222Q214-A218 WeakPolarHBondContact O-CB 3.08Å; Q214-A218 PolarHBondContact O-N 2.88Å; D215-A218 PolarHBondContact O-N 3.22Å; A218-G220 VanDerWaalsContact C-N 3.33Å; A218-G220 PolarHBondContact O-N 2.92Å; A218-D221 PolarHBondContact O-N 3.47Å; A218-C222 WeakPolarHBondContact O-CB 3.23Å; A218-C222 PolarHBondContact O-N 3.06Å; A218-C222 PolarHBondContact O-SG 3.41Å; A218-C222 VanDerWaalsContact O-SG 3.38Å
219L96.1Very high95.6Very high127 Ų127101.1 Ų101.167%0.66553%0.529SS*.Hα-helixtrans-61.2-41.5172.5-174.667.1000111.7D215 K217 L223D215-L219 WeakPolarHBondContact O-CB 3.29Å; D215-L219 PolarHBondContact O-N 3.18Å; K217-L219 VanDerWaalsContact C-N 3.32Å; K217-L219 PolarHBondContact O-N 2.93Å; L219-L223 VanDerWaalsContact O-CB 3.3Å; L219-L223 WeakPolarHBondContact O-CB 3.35Å; L219-L223 PolarHBondContact O-N 3.45Å
220G96.1Very high95.7Very high36 Ų36100.5 Ų100.537%0.37153%0.528SS..Hα-helixtrans-63.7-42.5174.700000113.7E216 K217 A218 L223 A224E216-G220 PolarHBondContact O-N 2.87Å; K217-G220 CarbonylContact O-C 3.47Å; K217-G220 WeakPolarHBondContact O-CA 3.35Å; K217-G220 PolarHBondContact O-N 2.93Å; K217-G220 VanDerWaalsContact O-N 3.09Å; A218-G220 VanDerWaalsContact C-N 3.33Å; A218-G220 PolarHBondContact O-N 2.92Å; G220-L223 PolarHBondContact O-N 2.88Å; G220-A224 WeakPolarHBondContact O-CB 3.5Å; G220-A224 PolarHBondContact O-N 3.35Å
221D95.4Very high95.7Very high84 Ų84100.8 Ų100.845%0.44953%0.53SS..Hα-helixtrans-67.2-41.3176.8-73.8-28.9000110.9K217 A218 A224 Q225K217-D221 WeakPolarHBondContact CE-OD2 3.47Å; K217-D221 PolarHBondContact O-N 3.02Å; A218-D221 PolarHBondContact O-N 3.47Å; D221-A224 PolarHBondContact O-N 3.32Å; D221-Q225 WeakPolarHBondContact O-CG 3.43Å; D221-Q225 PolarHBondContact O-N 2.94Å
222C96.2Very high95.8Very high74 Ų74102 Ų10250%0.554%0.535SS..Hα-helixtrans-62.8-44.8171.9-73.60000112.6A218 A224 Q225 E226A218-C222 WeakPolarHBondContact O-CB 3.23Å; A218-C222 PolarHBondContact O-N 3.06Å; A218-C222 PolarHBondContact O-SG 3.41Å; A218-C222 VanDerWaalsContact O-SG 3.38Å; C222-A224 VanDerWaalsContact C-N 3.27Å; C222-A224 PolarHBondContact O-N 3.32Å; C222-Q225 WeakPolarHBondContact O-CB 3.46Å; C222-Q225 PolarHBondContact O-N 3.44Å; C222-E226 PolarHBondContact O-N 2.87Å
223L96.3Very high95.8Very high114 Ų114101.1 Ų101.160%0.59754%0.538SS*.Hα-helixtrans-63.9-34.2176.7-17272.3000111.6L219 G220 K227L219-L223 VanDerWaalsContact O-CB 3.3Å; L219-L223 WeakPolarHBondContact O-CB 3.35Å; L219-L223 PolarHBondContact O-N 3.45Å; G220-L223 PolarHBondContact O-N 2.88Å; L223-K227 WeakPolarHBondContact O-CB 3.29Å; L223-K227 PolarHBondContact O-N 3.15Å
224A95.7Very high95.9Very high49 Ų4999.6 Ų99.641%0.40553%0.529SS..Hα-helixtrans-66.6-41.7173.200000112G220 D221 C222 K227 V228G220-A224 WeakPolarHBondContact O-CB 3.5Å; G220-A224 PolarHBondContact O-N 3.35Å; D221-A224 PolarHBondContact O-N 3.32Å; C222-A224 VanDerWaalsContact C-N 3.27Å; C222-A224 PolarHBondContact O-N 3.32Å; A224-K227 PolarHBondContact O-N 2.97Å; A224-V228 WeakPolarHBondContact O-CG2 3.48Å; A224-V228 PolarHBondContact O-N 3.42Å
225Q95.4Very high96Very high133 Ų13396.6 Ų96.662%0.62152%0.524SS*.Hα-helixtrans-64-47.7174.8-70.1171.316.800112.1D221 C222 K227 V228 A229D221-Q225 WeakPolarHBondContact O-CG 3.43Å; D221-Q225 PolarHBondContact O-N 2.94Å; C222-Q225 WeakPolarHBondContact O-CB 3.46Å; C222-Q225 PolarHBondContact O-N 3.44Å; Q225-K227 VanDerWaalsContact C-N 3.3Å; Q225-K227 PolarHBondContact O-N 3.48Å; Q225-V228 PolarHBondContact O-N 2.93Å; Q225-V228 VanDerWaalsContact O-N 3.12Å; Q225-A229 PolarHBondContact O-N 3.2Å
226E95.1Very high96.1Very high124 Ų12494.5 Ų94.558%0.57952%0.521SS*.Hα-helixtrans-58.1-43.9175.9-173.4-174.4-177.200111C222 V228 A229 L230C222-E226 PolarHBondContact O-N 2.87Å; E226-V228 VanDerWaalsContact C-N 3.32Å; E226-V228 PolarHBondContact O-N 3.05Å; E226-A229 PolarHBondContact O-N 2.98Å; E226-L230 VanDerWaalsContact O-CB 3.28Å; E226-L230 WeakPolarHBondContact O-CB 3.47Å; E226-L230 PolarHBondContact O-N 3.1Å
227K96.1Very high96.1Very high149 Ų14993.9 Ų93.965%0.64852%0.516SS*.Hα-helixtrans-61.4-37176.4-179.3-178.5176.1-175.20112.9L223 A224 Q225 M231L223-K227 WeakPolarHBondContact O-CB 3.29Å; L223-K227 PolarHBondContact O-N 3.15Å; A224-K227 PolarHBondContact O-N 2.97Å; Q225-K227 VanDerWaalsContact C-N 3.3Å; Q225-K227 PolarHBondContact O-N 3.48Å; K227-M231 WeakPolarHBondContact O-CB 3.33Å; K227-M231 VanDerWaalsContact O-CG 3.23Å; K227-M231 WeakPolarHBondContact O-CG 3.28Å; K227-M231 PolarHBondContact O-N 2.69Å; K227-M231 VanDerWaalsContact O-N 3.08Å
228V97.1Very high96.2Very high82 Ų8291.3 Ų91.350%0.49751%0.506SS..Hα-helixtrans-67.1-51.7174.5169.40000110.3A224 Q225 E226 L230 M231 E232A224-V228 WeakPolarHBondContact O-CG2 3.48Å; A224-V228 PolarHBondContact O-N 3.42Å; Q225-V228 PolarHBondContact O-N 2.93Å; Q225-V228 VanDerWaalsContact O-N 3.12Å; E226-V228 VanDerWaalsContact C-N 3.32Å; E226-V228 PolarHBondContact O-N 3.05Å; V228-L230 VanDerWaalsContact C-N 3.29Å; V228-L230 PolarHBondContact O-N 3.1Å; V228-M231 CarbonylContact O-C 3.59Å; V228-M231 WeakPolarHBondContact O-CA 3.23Å; V228-M231 WeakPolarHBondContact O-CB 3.36Å; V228-M231 PolarHBondContact O-N 2.94Å; V228-E232 WeakPolarHBondContact O-CG 3.38Å; V228-E232 PolarHBondContact O-N 2.91Å
229A96.3Very high96.2Very high48 Ų4892.6 Ų92.640%0.39750%0.503SS..Hα-helixtrans-59.2-38.7178.700000112.6Q225 E226 E232 V233Q225-A229 PolarHBondContact O-N 3.2Å; E226-A229 PolarHBondContact O-N 2.98Å; A229-E232 PolarHBondContact O-N 3.26Å; A229-V233 WeakPolarHBondContact O-CB 3.41Å; A229-V233 WeakPolarHBondContact O-CG2 3.28Å; A229-V233 PolarHBondContact O-N 3.23Å
230L96.1Very high96.3Very high108 Ų10891 Ų9157%0.56550%0.495SS*.Hα-helixtrans-66.5-38.5175.5-163.4159.5000111.4E226 V228 K234E226-L230 VanDerWaalsContact O-CB 3.28Å; E226-L230 WeakPolarHBondContact O-CB 3.47Å; E226-L230 PolarHBondContact O-N 3.1Å; V228-L230 VanDerWaalsContact C-N 3.29Å; V228-L230 PolarHBondContact O-N 3.1Å; L230-K234 VanDerWaalsContact O-CB 3.23Å; L230-K234 WeakPolarHBondContact O-CB 3.42Å; L230-K234 PolarHBondContact O-N 3.07Å
231M96.6Very high96.3Very high109 Ų10993.9 Ų93.954%0.53750%0.501SS..Hα-helixtrans-66.6-36.8173.4-76.6-68.5-65.200112.7K227 V228 K234 A235K227-M231 WeakPolarHBondContact O-CB 3.33Å; K227-M231 VanDerWaalsContact O-CG 3.23Å; K227-M231 WeakPolarHBondContact O-CG 3.28Å; K227-M231 PolarHBondContact O-N 2.69Å; K227-M231 VanDerWaalsContact O-N 3.08Å; V228-M231 CarbonylContact O-C 3.59Å; V228-M231 WeakPolarHBondContact O-CA 3.23Å; V228-M231 WeakPolarHBondContact O-CB 3.36Å; V228-M231 PolarHBondContact O-N 2.94Å; M231-K234 PolarHBondContact O-N 2.82Å; M231-K234 HydrophobicContact SD-CD 4.44Å; M231-A235 WeakPolarHBondContact O-CB 3.45Å; M231-A235 PolarHBondContact O-N 2.86Å
232E97Very high96.4Very high127 Ų12795.3 Ų95.359%0.59350%0.5SS*.Hα-helixtrans-66.4-49173.9-70173.6167.400111.5V228 A229 K234 A235 A236V228-E232 WeakPolarHBondContact O-CG 3.38Å; V228-E232 PolarHBondContact O-N 2.91Å; A229-E232 PolarHBondContact O-N 3.26Å; E232-K234 PolarHBondContact O-N 3.36Å; E232-A235 PolarHBondContact O-N 2.84Å; E232-A235 VanDerWaalsContact O-N 3.13Å; E232-A236 WeakPolarHBondContact O-CB 3.47Å; E232-A236 PolarHBondContact O-N 3.02Å
233V96.9Very high96.5Very high76 Ų7696.1 Ų96.146%0.46150%0.496SS..Hα-helixtrans-60-36.1174.6169.40000111.4A229 K237A229-V233 WeakPolarHBondContact O-CB 3.41Å; A229-V233 WeakPolarHBondContact O-CG2 3.28Å; A229-V233 PolarHBondContact O-N 3.23Å; V233-K237 HydrophobicContact CG1-CD 4.18Å; V233-K237 WeakPolarHBondContact O-CB 3.39Å; V233-K237 VanDerWaalsContact O-CG 3.3Å; V233-K237 WeakPolarHBondContact O-CG 3.27Å; V233-K237 PolarHBondContact O-N 3.24Å
234K96Very high96.5Very high101 Ų10195 Ų9544%0.43949%0.49SS..Hα-helixtrans-65.9-48.5173178.3-178.3165.5-1770111.3L230 M231 E232 A236 K237 E238L230-K234 VanDerWaalsContact O-CB 3.23Å; L230-K234 WeakPolarHBondContact O-CB 3.42Å; L230-K234 PolarHBondContact O-N 3.07Å; M231-K234 PolarHBondContact O-N 2.82Å; M231-K234 HydrophobicContact SD-CD 4.44Å; E232-K234 PolarHBondContact O-N 3.36Å; K234-A236 VanDerWaalsContact C-N 3.32Å; K234-A236 PolarHBondContact O-N 3.1Å; K234-K237 PolarHBondContact O-N 2.97Å; K234-E238 WeakPolarHBondContact CE-OE1 3.25Å; K234-E238 HydrophobicContact CG-CG 4.49Å; K234-E238 IonicContact NZ-OE1 3.25Å; K234-E238 WeakPolarHBondContact O-CG 3.43Å; K234-E238 PolarHBondContact O-N 3.12Å
235A96.7Very high96.5Very high51 Ų5197 Ų9742%0.42149%0.492SS..Hα-helixtrans-61.8-39.6179.400000112.1M231 E232 E238 Q239M231-A235 WeakPolarHBondContact O-CB 3.45Å; M231-A235 PolarHBondContact O-N 2.86Å; E232-A235 PolarHBondContact O-N 2.84Å; E232-A235 VanDerWaalsContact O-N 3.13Å; A235-E238 PolarHBondContact O-N 2.98Å; A235-Q239 WeakPolarHBondContact O-CB 3.32Å; A235-Q239 PolarHBondContact O-N 3.08Å
236A96.9Very high96.6Very high61 Ų6196.7 Ų96.750%0.50449%0.49SS..Hα-helixtrans-63.9-41.1173.600000112.3E232 K234 Q239 L240E232-A236 WeakPolarHBondContact O-CB 3.47Å; E232-A236 PolarHBondContact O-N 3.02Å; K234-A236 VanDerWaalsContact C-N 3.32Å; K234-A236 PolarHBondContact O-N 3.1Å; A236-Q239 PolarHBondContact O-N 3.29Å; A236-L240 PolarHBondContact O-N 3Å
237K95.1Very high96.7Very high131 Ų13195 Ų9557%0.5749%0.485SS*.Hα-helixtrans-67-40.5174.2-75.5172-180175.30112.6V233 K234 Q239 L240 I241V233-K237 HydrophobicContact CG1-CD 4.18Å; V233-K237 WeakPolarHBondContact O-CB 3.39Å; V233-K237 VanDerWaalsContact O-CG 3.3Å; V233-K237 WeakPolarHBondContact O-CG 3.27Å; V233-K237 PolarHBondContact O-N 3.24Å; K234-K237 PolarHBondContact O-N 2.97Å; K237-Q239 VanDerWaalsContact C-N 3.28Å; K237-Q239 PolarHBondContact O-N 2.91Å; K237-L240 PolarHBondContact O-N 3.37Å; K237-I241 WeakPolarHBondContact O-CD1 3.3Å; K237-I241 VanDerWaalsContact O-CG1 3.23Å; K237-I241 WeakPolarHBondContact O-CG1 3.24Å; K237-I241 PolarHBondContact O-N 3.29Å
238E96.6Very high96.7Very high83 Ų8393 Ų9339%0.38848%0.48SS..Hα-helixtrans-64.2-33.2173.4-73.4-179.8177.300112.1K234 A235 R242K234-E238 WeakPolarHBondContact CE-OE1 3.25Å; K234-E238 HydrophobicContact CG-CG 4.49Å; K234-E238 IonicContact NZ-OE1 3.25Å; K234-E238 WeakPolarHBondContact O-CG 3.43Å; K234-E238 PolarHBondContact O-N 3.12Å; A235-E238 PolarHBondContact O-N 2.98Å; E238-R242 WeakPolarHBondContact O-CG 3.33Å; E238-R242 PolarHBondContact O-N 3.33Å; E238-R242 VanDerWaalsContact O-N 3.15Å
239Q97.1Very high96.7Very high78 Ų7894.4 Ų94.436%0.36448%0.48SS..Hα-helixtrans-69.1-47.8173.5-178.856.82500112A235 A236 K237 I241 R242 E243A235-Q239 WeakPolarHBondContact O-CB 3.32Å; A235-Q239 PolarHBondContact O-N 3.08Å; A236-Q239 PolarHBondContact O-N 3.29Å; K237-Q239 VanDerWaalsContact C-N 3.28Å; K237-Q239 PolarHBondContact O-N 2.91Å; Q239-I241 VanDerWaalsContact C-N 3.26Å; Q239-I241 PolarHBondContact O-N 3.34Å; Q239-R242 WeakPolarHBondContact O-CB 3.47Å; Q239-R242 PolarHBondContact O-N 3.4Å; Q239-R242 VanDerWaalsContact OE1-CZ 3.29Å; Q239-E243 WeakPolarHBondContact CG-OE1 3.41Å; Q239-E243 PolarHBondContact NE2-OE1 2.85Å; Q239-E243 PolarHBondContact O-N 3.03Å
240L97.8Very high96.7Very high93 Ų9394.7 Ų94.749%0.48748%0.476SS..Hα-helixtrans-59.7-35.8174.817961.5000112.2A236 K237 E243 L244A236-L240 PolarHBondContact O-N 3Å; K237-L240 PolarHBondContact O-N 3.37Å; L240-E243 PolarHBondContact O-N 2.85Å; L240-L244 HydrophobicContact CD1-CD1 4.21Å; L240-L244 HydrophobicContact CD1-CG 4.2Å; L240-L244 HydrophobicContact CG-CD1 4.04Å; L240-L244 HydrophobicContact CG-CG 4.46Å; L240-L244 WeakPolarHBondContact O-CB 3.42Å; L240-L244 VanDerWaalsContact O-CG 3.27Å; L240-L244 WeakPolarHBondContact O-CG 3.22Å; L240-L244 PolarHBondContact O-N 3.4Å
241I96.8Very high96.7Very high96 Ų9694.3 Ų94.349%0.49248%0.475SS..Hα-helixtrans-64.1-43.6173.4-71.1163.6000110.8K237 Q239 E243 L244 E245K237-I241 WeakPolarHBondContact O-CD1 3.3Å; K237-I241 VanDerWaalsContact O-CG1 3.23Å; K237-I241 WeakPolarHBondContact O-CG1 3.24Å; K237-I241 PolarHBondContact O-N 3.29Å; Q239-I241 VanDerWaalsContact C-N 3.26Å; Q239-I241 PolarHBondContact O-N 3.34Å; I241-E243 PolarHBondContact O-N 2.92Å; I241-L244 PolarHBondContact O-N 3.43Å; I241-E245 WeakPolarHBondContact O-CB 3.1Å; I241-E245 WeakPolarHBondContact O-CG 3.47Å; I241-E245 PolarHBondContact O-N 2.9Å
242R97.4Very high96.6Very high115 Ų11593 Ų9343%0.43447%0.473SS..Hα-helixtrans-60.7-43.7175.4-73.1-177-69.3-94.45.3112E238 Q239 E245 E246E238-R242 WeakPolarHBondContact O-CG 3.33Å; E238-R242 PolarHBondContact O-N 3.33Å; E238-R242 VanDerWaalsContact O-N 3.15Å; Q239-R242 WeakPolarHBondContact O-CB 3.47Å; Q239-R242 PolarHBondContact O-N 3.4Å; Q239-R242 VanDerWaalsContact OE1-CZ 3.29Å; R242-E245 PolarHBondContact O-N 3.13Å; R242-E246 WeakPolarHBondContact O-CG 3.26Å; R242-E246 PolarHBondContact O-N 2.87Å
243E97.1Very high96.6Very high90 Ų9092 Ų9242%0.42147%0.468SS..Hα-helixtrans-63.3-47.2177.7-71.7162.6-172.100111.7Q239 L240 I241 E245 E246 D247Q239-E243 WeakPolarHBondContact CG-OE1 3.41Å; Q239-E243 PolarHBondContact NE2-OE1 2.85Å; Q239-E243 PolarHBondContact O-N 3.03Å; L240-E243 PolarHBondContact O-N 2.85Å; I241-E243 PolarHBondContact O-N 2.92Å; E243-E245 VanDerWaalsContact C-N 3.33Å; E243-E245 PolarHBondContact O-N 2.87Å; E243-E246 PolarHBondContact O-N 3.31Å; E243-E246 VanDerWaalsContact O-N 3.09Å; E243-D247 PolarHBondContact O-N 3.44Å
244L96.4Very high96.5Very high90 Ų9094.5 Ų94.547%0.47147%0.469SS..Hα-helixtrans-64.2-35.7175.7-71.1171.5000112.6L240 I241 E246 I248L240-L244 HydrophobicContact CD1-CD1 4.21Å; L240-L244 HydrophobicContact CD1-CG 4.2Å; L240-L244 HydrophobicContact CG-CD1 4.04Å; L240-L244 HydrophobicContact CG-CG 4.46Å; L240-L244 WeakPolarHBondContact O-CB 3.42Å; L240-L244 VanDerWaalsContact O-CG 3.27Å; L240-L244 WeakPolarHBondContact O-CG 3.22Å; L240-L244 PolarHBondContact O-N 3.4Å; I241-L244 PolarHBondContact O-N 3.43Å; L244-E246 VanDerWaalsContact C-N 3.34Å; L244-I248 WeakPolarHBondContact O-CB 3.49Å; L244-I248 WeakPolarHBondContact O-CD1 3.25Å; L244-I248 WeakPolarHBondContact O-CG1 3.29Å; L244-I248 PolarHBondContact O-N 2.82Å
245E96.8Very high96.4Very high93 Ų9392.4 Ų92.444%0.43547%0.471SS..Hα-helixtrans-64.8-37.5171.4-77.7-172.4-162.500112.4I241 R242 E243 K249I241-E245 WeakPolarHBondContact O-CB 3.1Å; I241-E245 WeakPolarHBondContact O-CG 3.47Å; I241-E245 PolarHBondContact O-N 2.9Å; R242-E245 PolarHBondContact O-N 3.13Å; E243-E245 VanDerWaalsContact C-N 3.33Å; E243-E245 PolarHBondContact O-N 2.87Å; E245-K249 WeakPolarHBondContact O-CB 3.17Å; E245-K249 WeakPolarHBondContact O-CD 3.37Å; E245-K249 WeakPolarHBondContact O-CE 3.41Å; E245-K249 WeakPolarHBondContact O-CG 3.42Å; E245-K249 PolarHBondContact O-N 2.86Å; E245-K249 IonicContact OE2-NZ 3.81Å; E245-K249 PolarHBondContact OE2-NZ 3.42Å
246E97.4Very high96.3Very high125 Ų12593.5 Ų93.558%0.58447%0.472SS*.Hα-helixtrans-69-41.2175.6-74.9-177.4-17100111.9R242 E243 L244 I248 K249 T250R242-E246 WeakPolarHBondContact O-CG 3.26Å; R242-E246 PolarHBondContact O-N 2.87Å; E243-E246 PolarHBondContact O-N 3.31Å; E243-E246 VanDerWaalsContact O-N 3.09Å; L244-E246 VanDerWaalsContact C-N 3.34Å; E246-I248 PolarHBondContact O-N 3.33Å; E246-K249 WeakPolarHBondContact O-CB 3.49Å; E246-K249 PolarHBondContact O-N 3.43Å; E246-T250 WeakPolarHBondContact O-CG2 3.38Å; E246-T250 PolarHBondContact O-N 2.84Å
247D97Very high96.2Very high89 Ų8995.3 Ų95.348%0.47647%0.47SS..Hα-helixtrans-60.3-44.3170.7-92.3-25.7000111.9E243 K249 T250 L251E243-D247 PolarHBondContact O-N 3.44Å; D247-K249 VanDerWaalsContact C-N 3.33Å; D247-K249 PolarHBondContact O-N 2.99Å; D247-T250 PolarHBondContact O-N 3.27Å; D247-T250 PolarHBondContact O-OG1 3.22Å; D247-L251 VanDerWaalsContact O-CB 3.31Å; D247-L251 WeakPolarHBondContact O-CB 3.34Å; D247-L251 VanDerWaalsContact O-CG 3.27Å; D247-L251 WeakPolarHBondContact O-CG 3.48Å; D247-L251 PolarHBondContact O-N 2.92Å
248I96.4Very high96.1Very high107 Ų10797.7 Ų97.755%0.54948%0.476SS..Hα-helixtrans-61.3-41.1174.6-71.4164.8000111.2L244 E246 T252L244-I248 WeakPolarHBondContact O-CB 3.49Å; L244-I248 WeakPolarHBondContact O-CD1 3.25Å; L244-I248 WeakPolarHBondContact O-CG1 3.29Å; L244-I248 PolarHBondContact O-N 2.82Å; E246-I248 PolarHBondContact O-N 3.33Å; I248-T252 VanDerWaalsContact O-CB 3.27Å; I248-T252 WeakPolarHBondContact O-CB 3.43Å; I248-T252 PolarHBondContact O-N 3.38Å; I248-T252 PolarHBondContact O-OG1 2.89Å
249K96.9Very high95.9Very high111 Ų111100.1 Ų100.148%0.48349%0.487SS..Hα-helixtrans-61.7-46.6175-69.9155-157.8158.10110.9E245 E246 D247 T252 Q253E245-K249 WeakPolarHBondContact O-CB 3.17Å; E245-K249 WeakPolarHBondContact O-CD 3.37Å; E245-K249 WeakPolarHBondContact O-CE 3.41Å; E245-K249 WeakPolarHBondContact O-CG 3.42Å; E245-K249 PolarHBondContact O-N 2.86Å; E245-K249 IonicContact OE2-NZ 3.81Å; E245-K249 PolarHBondContact OE2-NZ 3.42Å; E246-K249 WeakPolarHBondContact O-CB 3.49Å; E246-K249 PolarHBondContact O-N 3.43Å; D247-K249 VanDerWaalsContact C-N 3.33Å; D247-K249 PolarHBondContact O-N 2.99Å; K249-T252 PolarHBondContact O-N 3.44Å; K249-Q253 WeakPolarHBondContact O-CB 3.18Å; K249-Q253 PolarHBondContact O-N 3.34Å
250T96.6Very high95.7Very high54 Ų5499.2 Ų99.233%0.33149%0.487SS..Hα-helixtrans-70.7-37.2179.370.60000113.2E246 D247 Q253 R254E246-T250 WeakPolarHBondContact O-CG2 3.38Å; E246-T250 PolarHBondContact O-N 2.84Å; D247-T250 PolarHBondContact O-N 3.27Å; D247-T250 PolarHBondContact O-OG1 3.22Å; T250-Q253 PolarHBondContact O-N 3.48Å; T250-R254 WeakPolarHBondContact O-CB 3.27Å; T250-R254 VanDerWaalsContact O-CG 3.24Å; T250-R254 WeakPolarHBondContact O-CG 3.44Å; T250-R254 PolarHBondContact O-N 2.9Å
251L95.3Very high95.5Very high101 Ų10199.6 Ų99.653%0.52949%0.486SS..Hα-helixtrans-65.9-40.6174.8-73170.8000111.6D247 R254 A255D247-L251 VanDerWaalsContact O-CB 3.31Å; D247-L251 WeakPolarHBondContact O-CB 3.34Å; D247-L251 VanDerWaalsContact O-CG 3.27Å; D247-L251 WeakPolarHBondContact O-CG 3.48Å; D247-L251 PolarHBondContact O-N 2.92Å; L251-R254 PolarHBondContact O-N 3.4Å; L251-A255 WeakPolarHBondContact O-CB 3.32Å; L251-A255 PolarHBondContact O-N 3.43Å
252T94.4Very high95.3Very high81 Ų8199.6 Ų99.650%0.49749%0.487SS..Hα-helixtrans-62.4-45.2174.2-56.60000110.9I248 K249 A255 V256I248-T252 VanDerWaalsContact O-CB 3.27Å; I248-T252 WeakPolarHBondContact O-CB 3.43Å; I248-T252 PolarHBondContact O-N 3.38Å; I248-T252 PolarHBondContact O-OG1 2.89Å; K249-T252 PolarHBondContact O-N 3.44Å; T252-A255 WeakPolarHBondContact O-CB 3.45Å; T252-A255 PolarHBondContact O-N 3.18Å; T252-V256 WeakPolarHBondContact O-CG2 3.45Å; T252-V256 PolarHBondContact O-N 3.01Å
253Q96.2Very high94.9Very high105 Ų10597.5 Ų97.549%0.49148%0.482SS..Hα-helixtrans-59.8-47.7175.3178.459.527.900111.9K249 T250 A255 V256 E257K249-Q253 WeakPolarHBondContact O-CB 3.18Å; K249-Q253 PolarHBondContact O-N 3.34Å; T250-Q253 PolarHBondContact O-N 3.48Å; Q253-A255 VanDerWaalsContact C-N 3.28Å; Q253-A255 PolarHBondContact O-N 3.39Å; Q253-V256 PolarHBondContact O-N 3.45Å; Q253-E257 WeakPolarHBondContact CG-OE1 3.27Å; Q253-E257 PolarHBondContact NE2-OE1 2.95Å; Q253-E257 WeakPolarHBondContact O-CG 3.09Å; Q253-E257 PolarHBondContact O-N 3.03Å
254R95.4Very high94.7Very high130 Ų13099.6 Ų99.649%0.49149%0.486SS..Hα-helixtrans-60.6-35.7175.2-69.9168.9-165.3151.58.5112.3T250 L251 R258T250-R254 WeakPolarHBondContact O-CB 3.27Å; T250-R254 VanDerWaalsContact O-CG 3.24Å; T250-R254 WeakPolarHBondContact O-CG 3.44Å; T250-R254 PolarHBondContact O-N 2.9Å; L251-R254 PolarHBondContact O-N 3.4Å; R254-R258 WeakPolarHBondContact O-CB 3.45Å; R254-R258 WeakPolarHBondContact O-CG 3.41Å; R254-R258 PolarHBondContact O-N 2.9Å
255A94.3Very high94.5Very high57 Ų57100.2 Ų100.247%0.47149%0.487SS..Hα-helixtrans-67.4-44.2176.800000111.7L251 T252 Q253 R258 E259L251-A255 WeakPolarHBondContact O-CB 3.32Å; L251-A255 PolarHBondContact O-N 3.43Å; T252-A255 WeakPolarHBondContact O-CB 3.45Å; T252-A255 PolarHBondContact O-N 3.18Å; Q253-A255 VanDerWaalsContact C-N 3.28Å; Q253-A255 PolarHBondContact O-N 3.39Å; A255-R258 PolarHBondContact O-N 3Å; A255-E259 WeakPolarHBondContact O-CB 3.34Å; A255-E259 PolarHBondContact O-N 3.34Å
256V95.4Very high94.2Very high74 Ų74100 Ų10045%0.44849%0.485SS..Hα-helixtrans-63.3-41.2173.9172.70000111.4T252 Q253 E259 T260T252-V256 WeakPolarHBondContact O-CG2 3.45Å; T252-V256 PolarHBondContact O-N 3.01Å; Q253-V256 PolarHBondContact O-N 3.45Å; V256-E259 PolarHBondContact O-N 3.06Å; V256-T260 HydrophobicContact CG1-CG2 4.48Å; V256-T260 WeakPolarHBondContact O-CG2 3.03Å; V256-T260 PolarHBondContact O-N 3Å; V256-T260 PolarHBondContact O-OG1 2.91Å
257E93.9Very high93.9Very high99 Ų9997.3 Ų97.346%0.46347%0.474SS..Hα-helixtrans-59.8-47.7173.8-74.9167.4-174.600111.6Q253 T260 E261Q253-E257 WeakPolarHBondContact CG-OE1 3.27Å; Q253-E257 PolarHBondContact NE2-OE1 2.95Å; Q253-E257 WeakPolarHBondContact O-CG 3.09Å; Q253-E257 PolarHBondContact O-N 3.03Å; E257-T260 PolarHBondContact O-N 2.9Å; E257-T260 PolarHBondContact O-OG1 2.71Å; E257-E261 WeakPolarHBondContact O-CB 3.33Å; E257-E261 PolarHBondContact O-N 2.77Å
258R93.7Very high93.6Very high181 Ų18199 Ų9968%0.68347%0.474SS*.Hα-helixtrans-62.2-41175.8-73.7-78.6173.574.70112.7R254 A255 E261 L262R254-R258 WeakPolarHBondContact O-CB 3.45Å; R254-R258 WeakPolarHBondContact O-CG 3.41Å; R254-R258 PolarHBondContact O-N 2.9Å; A255-R258 PolarHBondContact O-N 3Å; R258-E261 PolarHBondContact O-N 2.89Å; R258-L262 VanDerWaalsContact O-CB 3.31Å; R258-L262 WeakPolarHBondContact O-CB 3.45Å; R258-L262 PolarHBondContact O-N 2.79Å
259E92.4Very high93.3Very high134 Ų13496.4 Ų96.463%0.62647%0.468SS*.Hα-helixtrans-68-42.5177.5-177.7161.2-14300111.8A255 V256 E261 L262 E263A255-E259 WeakPolarHBondContact O-CB 3.34Å; A255-E259 PolarHBondContact O-N 3.34Å; V256-E259 PolarHBondContact O-N 3.06Å; E259-E261 VanDerWaalsContact C-N 3.31Å; E259-E261 PolarHBondContact O-N 3.18Å; E259-L262 WeakPolarHBondContact O-CB 3.35Å; E259-L262 PolarHBondContact O-N 3.22Å; E259-L262 VanDerWaalsContact O-N 3.16Å; E259-E263 PolarHBondContact O-N 3.1Å
260T92.3Very high92.9Very high59 Ų5996.3 Ų96.336%0.36247%0.468SS..Hα-helixtrans-66.5-32.6174.3630000112.1V256 E257 R264V256-T260 HydrophobicContact CG1-CG2 4.48Å; V256-T260 WeakPolarHBondContact O-CG2 3.03Å; V256-T260 PolarHBondContact O-N 3Å; V256-T260 PolarHBondContact O-OG1 2.91Å; E257-T260 PolarHBondContact O-N 2.9Å; E257-T260 PolarHBondContact O-OG1 2.71Å; T260-R264 VanDerWaalsContact CB-NH1 3.33Å; T260-R264 VanDerWaalsContact O-CG 3.24Å; T260-R264 WeakPolarHBondContact O-CG 3.26Å; T260-R264 PolarHBondContact O-N 3.04Å; T260-R264 PolarHBondContact O-NH1 2.83Å; T260-R264 PolarHBondContact OG1-NH1 2.89Å
261E93.3Very high92.6Very high101 Ų101101.2 Ų101.247%0.47248%0.481SS..Hα-helixtrans-67-40.4170.1179.7163.9-132.200112.1E257 R258 E259 E263 R264 M265E257-E261 WeakPolarHBondContact O-CB 3.33Å; E257-E261 PolarHBondContact O-N 2.77Å; R258-E261 PolarHBondContact O-N 2.89Å; E259-E261 VanDerWaalsContact C-N 3.31Å; E259-E261 PolarHBondContact O-N 3.18Å; E261-E263 VanDerWaalsContact C-N 3.35Å; E261-E263 PolarHBondContact O-N 3.01Å; E261-R264 VanDerWaalsContact N-NH1 3.19Å; E261-R264 CarbonylContact O-C 3.6Å; E261-R264 WeakPolarHBondContact O-CB 3.27Å; E261-R264 PolarHBondContact O-N 2.94Å; E261-M265 WeakPolarHBondContact O-CG 3.21Å; E261-M265 PolarHBondContact O-N 3.34Å
262L92Very high92.1Very high96 Ų9698.9 Ų98.950%0.50348%0.476SS..Hα-helixtrans-64-38.1176.6-165.2155.2000111.4R258 E259 M265 K266R258-L262 VanDerWaalsContact O-CB 3.31Å; R258-L262 WeakPolarHBondContact O-CB 3.45Å; R258-L262 PolarHBondContact O-N 2.79Å; E259-L262 WeakPolarHBondContact O-CB 3.35Å; E259-L262 PolarHBondContact O-N 3.22Å; E259-L262 VanDerWaalsContact O-N 3.16Å; L262-M265 CarbonylContact O-C 3.6Å; L262-M265 WeakPolarHBondContact O-CB 3.21Å; L262-M265 PolarHBondContact O-N 2.9Å; L262-K266 HydrophobicContact CD2-CD 3.83Å; L262-K266 HydrophobicContact CD2-CG 4.15Å; L262-K266 WeakPolarHBondContact O-CG 3.16Å; L262-K266 PolarHBondContact O-N 3.16Å
263E90.1Very high91.6Very high71 Ų7199.8 Ų99.833%0.33248%0.476SS..Hα-helixtrans-70.2-39.2172.2-160.361.4-12900112.6E259 E261 M265 K266 D267 K270E259-E263 PolarHBondContact O-N 3.1Å; E261-E263 VanDerWaalsContact C-N 3.35Å; E261-E263 PolarHBondContact O-N 3.01Å; E263-M265 PolarHBondContact O-N 3.1Å; E263-K266 PolarHBondContact O-N 3.34Å; E263-K266 WeakPolarHBondContact OE1-CD 3.46Å; E263-K266 WeakPolarHBondContact OE2-CD 3.43Å; E263-K266 WeakPolarHBondContact OE2-CE 3.44Å; E263-K266 IonicContact OE2-NZ 3.76Å; E263-K266 PolarHBondContact OE2-NZ 3.3Å; E263-D267 PolarHBondContact O-N 2.81Å; E263-K270 IonicContact OE1-NZ 3.31Å; E263-K270 PolarHBondContact OE1-NZ 3.39Å
264R93.3Very high91Very high134 Ų13497.5 Ų97.551%0.50648%0.476SS..Hα-helixtrans-58.4-35.3169.2-68.8170-163.7108.8-0.4111.7T260 E261 R268T260-R264 VanDerWaalsContact CB-NH1 3.33Å; T260-R264 VanDerWaalsContact O-CG 3.24Å; T260-R264 WeakPolarHBondContact O-CG 3.26Å; T260-R264 PolarHBondContact O-N 3.04Å; T260-R264 PolarHBondContact O-NH1 2.83Å; T260-R264 PolarHBondContact OG1-NH1 2.89Å; E261-R264 VanDerWaalsContact N-NH1 3.19Å; E261-R264 CarbonylContact O-C 3.6Å; E261-R264 WeakPolarHBondContact O-CB 3.27Å; E261-R264 PolarHBondContact O-N 2.94Å; R264-R268 VanDerWaalsContact O-CG 3.29Å; R264-R268 WeakPolarHBondContact O-CG 3.29Å; R264-R268 PolarHBondContact O-N 2.95Å
265M90.6Very high90.5Very high103 Ų10396.3 Ų96.351%0.50748%0.478SS..Hα-helixtrans-72.1-42.7174.4-76.4-64.5-7600112.8E261 L262 E263 D267 R268 A269E261-M265 WeakPolarHBondContact O-CG 3.21Å; E261-M265 PolarHBondContact O-N 3.34Å; L262-M265 CarbonylContact O-C 3.6Å; L262-M265 WeakPolarHBondContact O-CB 3.21Å; L262-M265 PolarHBondContact O-N 2.9Å; E263-M265 PolarHBondContact O-N 3.1Å; M265-D267 VanDerWaalsContact C-N 3.27Å; M265-D267 PolarHBondContact O-N 3.09Å; M265-R268 WeakPolarHBondContact O-CB 3.35Å; M265-R268 PolarHBondContact O-N 2.86Å; M265-R268 VanDerWaalsContact O-N 3.17Å; M265-R268 PolarHBondContact SD-NH1 2.83Å; M265-A269 PolarHBondContact O-N 2.92Å
266K91.6Very high89.8Confident89 Ų89102.6 Ų102.639%0.38749%0.49SS..Hα-helixtrans-56.1-42.6169.7-74.5161.9171.8161.80110.6L262 E263 A269 K270L262-K266 HydrophobicContact CD2-CD 3.83Å; L262-K266 HydrophobicContact CD2-CG 4.15Å; L262-K266 WeakPolarHBondContact O-CG 3.16Å; L262-K266 PolarHBondContact O-N 3.16Å; E263-K266 PolarHBondContact O-N 3.34Å; E263-K266 WeakPolarHBondContact OE1-CD 3.46Å; E263-K266 WeakPolarHBondContact OE2-CD 3.43Å; E263-K266 WeakPolarHBondContact OE2-CE 3.44Å; E263-K266 IonicContact OE2-NZ 3.76Å; E263-K266 PolarHBondContact OE2-NZ 3.3Å; K266-A269 CarbonylContact O-C 3.58Å; K266-A269 PolarHBondContact O-N 2.86Å; K266-K270 VanDerWaalsContact O-CG 3.24Å; K266-K270 WeakPolarHBondContact O-CG 3.45Å; K266-K270 PolarHBondContact O-N 2.98Å
267D90.6Very high89.1Confident67 Ų67105.5 Ų105.536%0.35850%0.497SS..Hα-helixtrans-70.2-28.9177.3-78.5-15.9000114.2E263 M265 K270 R271E263-D267 PolarHBondContact O-N 2.81Å; M265-D267 VanDerWaalsContact C-N 3.27Å; M265-D267 PolarHBondContact O-N 3.09Å; D267-K270 WeakPolarHBondContact OD1-CD 3.25Å; D267-K270 WeakPolarHBondContact OD1-CE 3.44Å; D267-K270 IonicContact OD1-NZ 2.66Å; D267-K270 PolarHBondContact OD1-NZ 3.28Å; D267-R271 PolarHBondContact O-N 3.02Å; D267-R271 PolarHBondContact O-NE 3.4Å
268R91.3Very high88.4Confident126 Ų126106.5 Ų106.548%0.47550%0.501SS..Hα-helixtrans-67.5-43.9167.3-70162.6-174.4143-2.7110.2R264 M265 R271 A272R264-R268 VanDerWaalsContact O-CG 3.29Å; R264-R268 WeakPolarHBondContact O-CG 3.29Å; R264-R268 PolarHBondContact O-N 2.95Å; M265-R268 WeakPolarHBondContact O-CB 3.35Å; M265-R268 PolarHBondContact O-N 2.86Å; M265-R268 VanDerWaalsContact O-N 3.17Å; M265-R268 PolarHBondContact SD-NH1 2.83Å; R268-R271 PolarHBondContact O-N 2.91Å; R268-A272 PolarHBondContact O-N 3.28Å
269A89.2Confident87.7Confident51 Ų51103.8 Ų103.842%0.42150%0.496SS..Hα-helixtrans-65.6-43.7178.300000113M265 K266 R271 A272 I273M265-A269 PolarHBondContact O-N 2.92Å; K266-A269 CarbonylContact O-C 3.58Å; K266-A269 PolarHBondContact O-N 2.86Å; A269-R271 VanDerWaalsContact C-N 3.26Å; A269-R271 PolarHBondContact O-N 2.85Å; A269-A272 PolarHBondContact O-N 2.87Å; A269-A272 VanDerWaalsContact O-N 3.16Å; A269-I273 VanDerWaalsContact O-CG1 3.29Å; A269-I273 WeakPolarHBondContact O-CG1 3.24Å; A269-I273 PolarHBondContact O-N 3.33Å
270K90Very high87.2Confident109 Ų109103.8 Ų103.847%0.47450%0.496SS..Hα-helixtrans-53.5-43.4173.3-70.6166.5-151.3162.90110.9E263 K266 D267 A274E263-K270 IonicContact OE1-NZ 3.31Å; E263-K270 PolarHBondContact OE1-NZ 3.39Å; K266-K270 VanDerWaalsContact O-CG 3.24Å; K266-K270 WeakPolarHBondContact O-CG 3.45Å; K266-K270 PolarHBondContact O-N 2.98Å; D267-K270 WeakPolarHBondContact OD1-CD 3.25Å; D267-K270 WeakPolarHBondContact OD1-CE 3.44Å; D267-K270 IonicContact OD1-NZ 2.66Å; D267-K270 PolarHBondContact OD1-NZ 3.28Å; K270-A274 PolarHBondContact O-N 3.37Å; K270-A274 VanDerWaalsContact O-N 3.16Å
271R88.8Confident86.6Confident158 Ų158105.6 Ų105.660%0.59651%0.507SS*.Hα-helixtrans-69-42.9175.7-77.1175.8-77-173-6.1113.2D267 R268 A269 I273 A274 L275D267-R271 PolarHBondContact O-N 3.02Å; D267-R271 PolarHBondContact O-NE 3.4Å; R268-R271 PolarHBondContact O-N 2.91Å; A269-R271 VanDerWaalsContact C-N 3.26Å; A269-R271 PolarHBondContact O-N 2.85Å; R271-I273 VanDerWaalsContact C-N 3.3Å; R271-I273 PolarHBondContact O-N 3.12Å; R271-A274 WeakPolarHBondContact O-CB 3.43Å; R271-A274 PolarHBondContact O-N 2.99Å; R271-A274 VanDerWaalsContact O-N 3.13Å; R271-L275 PolarHBondContact O-N 2.84Å
272A85.3Confident85.9Confident52 Ų52107.4 Ų107.443%0.4352%0.516SS..Hα-helixtrans-63-35.3175.800000112.8R268 A269 R276R268-A272 PolarHBondContact O-N 3.28Å; A269-A272 PolarHBondContact O-N 2.87Å; A269-A272 VanDerWaalsContact O-N 3.16Å; A272-R276 PolarHBondContact O-N 2.65Å
273I84.9Confident85.2Confident99 Ų99110.3 Ų110.351%0.50852%0.524SS..Hα-helixtrans-67.9-34.9173.6-68.6163.9000111.4A269 R271 K277A269-I273 VanDerWaalsContact O-CG1 3.29Å; A269-I273 WeakPolarHBondContact O-CG1 3.24Å; A269-I273 PolarHBondContact O-N 3.33Å; R271-I273 VanDerWaalsContact C-N 3.3Å; R271-I273 PolarHBondContact O-N 3.12Å; I273-K277 WeakPolarHBondContact O-CG 3.24Å; I273-K277 PolarHBondContact O-N 2.78Å
274A83.5Confident84.6Confident58 Ų58114 Ų11448%0.47954%0.539SS..Hα-helixtrans-65.8-48.6174.100000111.5K270 R271 R276 K277 E278K270-A274 PolarHBondContact O-N 3.37Å; K270-A274 VanDerWaalsContact O-N 3.16Å; R271-A274 WeakPolarHBondContact O-CB 3.43Å; R271-A274 PolarHBondContact O-N 2.99Å; R271-A274 VanDerWaalsContact O-N 3.13Å; A274-R276 PolarHBondContact O-N 3.02Å; A274-K277 WeakPolarHBondContact O-CB 3.46Å; A274-K277 PolarHBondContact O-N 2.82Å; A274-K277 VanDerWaalsContact O-N 3.08Å; A274-E278 PolarHBondContact O-N 2.86Å; A274-E278 VanDerWaalsContact O-N 3.17Å
275L83.4Confident83.8Confident104 Ų104109.1 Ų109.155%0.54553%0.531SS..Hα-helixtrans-58.5-43.7176.9-69.6169.4000112.2R271 K277 E278 E279R271-L275 PolarHBondContact O-N 2.84Å; L275-K277 VanDerWaalsContact C-N 3.26Å; L275-K277 PolarHBondContact O-N 2.97Å; L275-E278 WeakPolarHBondContact O-CA 3.28Å; L275-E278 WeakPolarHBondContact O-CB 3.44Å; L275-E278 PolarHBondContact O-N 2.76Å; L275-E279 PolarHBondContact O-N 2.85Å
276R80.5Confident83.1Confident189 Ų189109.4 Ų109.471%0.71353%0.534SS*.Hα-helixtrans-61.6-30.6175.7-83.4-166.3172.6-167.20.8114.1A272 A274 E280A272-R276 PolarHBondContact O-N 2.65Å; A274-R276 PolarHBondContact O-N 3.02Å; R276-E280 VanDerWaalsContact O-CB 3.26Å; R276-E280 WeakPolarHBondContact O-CB 3.49Å; R276-E280 PolarHBondContact O-N 3.28Å
277K81.3Confident82.5Confident135 Ų135109.7 Ų109.759%0.58754%0.537SS*.Hα-helixtrans-71.8-34.7174.5-73.1176.3177.6-175.80111.6I273 A274 L275 E280 T281I273-K277 WeakPolarHBondContact O-CG 3.24Å; I273-K277 PolarHBondContact O-N 2.78Å; A274-K277 WeakPolarHBondContact O-CB 3.46Å; A274-K277 PolarHBondContact O-N 2.82Å; A274-K277 VanDerWaalsContact O-N 3.08Å; L275-K277 VanDerWaalsContact C-N 3.26Å; L275-K277 PolarHBondContact O-N 2.97Å; K277-E280 PolarHBondContact O-N 3.12Å; K277-T281 WeakPolarHBondContact O-CG2 3.5Å; K277-T281 PolarHBondContact O-N 3.04Å; K277-T281 PolarHBondContact O-OG1 3.39Å
278E78.8Confident81.8Confident121 Ų121111.4 Ų111.457%0.56555%0.546SS*.Hα-helixtrans-64.1-53.3173.1-166.6165.8-15700110.3A274 L275 E280 T281 E282A274-E278 PolarHBondContact O-N 2.86Å; A274-E278 VanDerWaalsContact O-N 3.17Å; L275-E278 WeakPolarHBondContact O-CA 3.28Å; L275-E278 WeakPolarHBondContact O-CB 3.44Å; L275-E278 PolarHBondContact O-N 2.76Å; E278-E280 VanDerWaalsContact C-N 3.28Å; E278-E280 PolarHBondContact O-N 3.15Å; E278-T281 PolarHBondContact O-N 3.17Å; E278-T281 PolarHBondContact O-OG1 2.83Å; E278-E282 PolarHBondContact O-N 3.35Å
279E79.6Confident81Confident123 Ų123112.3 Ų112.358%0.57555%0.553SS**Hα-helixtrans-52.9-41.8172.5-67.4177.5149.900112.6L275 E282 K283L275-E279 PolarHBondContact O-N 2.85Å; E279-E282 PolarHBondContact O-N 2.97Å; E279-K283 VanDerWaalsContact O-CB 3.32Å; E279-K283 WeakPolarHBondContact O-CB 3.4Å; E279-K283 PolarHBondContact O-N 2.92Å
280E81.3Confident80.3Confident135 Ų135114.1 Ų114.163%0.63156%0.556SS**Hα-helixtrans-68.5-35.5178.2-173.4166.3-139.500112.3R276 K277 E278 K284R276-E280 VanDerWaalsContact O-CB 3.26Å; R276-E280 WeakPolarHBondContact O-CB 3.49Å; R276-E280 PolarHBondContact O-N 3.28Å; K277-E280 PolarHBondContact O-N 3.12Å; E278-E280 VanDerWaalsContact C-N 3.28Å; E278-E280 PolarHBondContact O-N 3.15Å; E280-K284 WeakPolarHBondContact O-CB 3.49Å; E280-K284 PolarHBondContact O-N 2.95Å
281T78.9Confident79.6Confident96 Ų96112.3 Ų112.359%0.58955%0.551SS**Hα-helixtrans-69.6-38.4171.554.50000113K277 E278 K284 G285K277-T281 WeakPolarHBondContact O-CG2 3.5Å; K277-T281 PolarHBondContact O-N 3.04Å; K277-T281 PolarHBondContact O-OG1 3.39Å; E278-T281 PolarHBondContact O-N 3.17Å; E278-T281 PolarHBondContact O-OG1 2.83Å; T281-K284 PolarHBondContact O-N 2.97Å; T281-G285 PolarHBondContact O-N 2.83Å
282E78.6Confident78.8Confident139 Ų139110.4 Ų110.465%0.6555%0.549SS*.Hα-helixtrans-63.1-47173.1-69.2-156.2128.700111.5E278 E279 K284 G285 L286E278-E282 PolarHBondContact O-N 3.35Å; E279-E282 PolarHBondContact O-N 2.97Å; E282-K284 PolarHBondContact O-N 3.21Å; E282-G285 CarbonylContact O-C 3.49Å; E282-G285 WeakPolarHBondContact O-CA 3.41Å; E282-G285 PolarHBondContact O-N 3.44Å; E282-L286 WeakPolarHBondContact O-CG 3.2Å; E282-L286 PolarHBondContact O-N 3.49Å
283K77.3Confident78.2Confident157 Ų157111.6 Ų111.668%0.68355%0.551SS**Hα-helixtrans-56.8-39175.5-175.9179.1178.6-177.40111.9E279 L286 Q287E279-K283 VanDerWaalsContact O-CB 3.32Å; E279-K283 WeakPolarHBondContact O-CB 3.4Å; E279-K283 PolarHBondContact O-N 2.92Å; K283-L286 PolarHBondContact O-N 3Å; K283-Q287 PolarHBondContact O-N 2.88Å
284K77.9Confident77.7Confident148 Ų148110.7 Ų110.764%0.64354%0.544SS*.Hα-helixtrans-68.5-36.8175-157.6166.3-171.3170.60112E280 T281 E282 L286 Q287 N288E280-K284 WeakPolarHBondContact O-CB 3.49Å; E280-K284 PolarHBondContact O-N 2.95Å; T281-K284 PolarHBondContact O-N 2.97Å; E282-K284 PolarHBondContact O-N 3.21Å; K284-L286 VanDerWaalsContact C-N 3.33Å; K284-Q287 PolarHBondContact O-N 3.33Å; K284-N288 VanDerWaalsContact O-CG 3.31Å; K284-N288 PolarHBondContact O-N 3.47Å; K284-N288 PolarHBondContact O-OD1 3.28Å
285G76.4Confident77Confident32 Ų32110.4 Ų110.433%0.3354%0.542SS..Hα-helixtrans-65.8-30.3170.200000114.1T281 E282 K289T281-G285 PolarHBondContact O-N 2.83Å; E282-G285 CarbonylContact O-C 3.49Å; E282-G285 WeakPolarHBondContact O-CA 3.41Å; E282-G285 PolarHBondContact O-N 3.44Å; G285-K289 WeakPolarHBondContact O-CG 3.35Å
286L75.9Confident76.3Confident110 Ų110111.1 Ų111.158%0.57654%0.542SS*.Hα-helixtrans-76-39.1172.8-68.4173.5000112.3E282 K283 K284 N288 K289 L290E282-L286 WeakPolarHBondContact O-CG 3.2Å; E282-L286 PolarHBondContact O-N 3.49Å; K283-L286 PolarHBondContact O-N 3Å; K284-L286 VanDerWaalsContact C-N 3.33Å; L286-N288 PolarHBondContact O-N 3.49Å; L286-K289 HydrophobicContact CD2-CD 4.38Å; L286-K289 WeakPolarHBondContact O-CB 3.35Å; L286-K289 PolarHBondContact O-N 3.42Å; L286-K289 VanDerWaalsContact O-N 3.13Å; L286-L290 PolarHBondContact O-N 3.19Å; L286-L290 VanDerWaalsContact O-N 3.09Å
287Q79Confident75.5Confident94 Ų94108.1 Ų108.144%0.43954%0.54SS..Hα-helixtrans-57.8-48.6174-175.764.152.700111.2K283 K284 K289 L290 D291K283-Q287 PolarHBondContact O-N 2.88Å; K284-Q287 PolarHBondContact O-N 3.33Å; Q287-K289 PolarHBondContact O-N 3.5Å; Q287-K289 VanDerWaalsContact O-N 3.13Å; Q287-L290 WeakPolarHBondContact O-CA 3.38Å; Q287-L290 WeakPolarHBondContact O-CB 3.46Å; Q287-L290 PolarHBondContact O-N 3.34Å; Q287-D291 PolarHBondContact NE2-OD1 3.11Å; Q287-D291 VanDerWaalsContact O-CG 3.31Å; Q287-D291 PolarHBondContact O-N 3.44Å
288N75.4Confident74.9Confident104 Ų104108.7 Ų108.756%0.55654%0.539SS*.Hα-helixtrans-59-29178.2-65.2-2.4000112.9K284 L286 Q292K284-N288 VanDerWaalsContact O-CG 3.31Å; K284-N288 PolarHBondContact O-N 3.47Å; K284-N288 PolarHBondContact O-OD1 3.28Å; L286-N288 PolarHBondContact O-N 3.49Å; N288-Q292 PolarHBondContact O-N 3Å
289K76.2Confident74Confident144 Ų144106.8 Ų106.863%0.62654%0.539SS*.Hα-helixtrans-76.2-32.8174.7-71.7167.6178173.20112.4G285 L286 Q287 T293G285-K289 WeakPolarHBondContact O-CG 3.35Å; L286-K289 HydrophobicContact CD2-CD 4.38Å; L286-K289 WeakPolarHBondContact O-CB 3.35Å; L286-K289 PolarHBondContact O-N 3.42Å; L286-K289 VanDerWaalsContact O-N 3.13Å; Q287-K289 PolarHBondContact O-N 3.5Å; Q287-K289 VanDerWaalsContact O-N 3.13Å; K289-T293 PolarHBondContact O-N 2.91Å
290L72.9Confident73.1Confident90 Ų90105.5 Ų105.547%0.47154%0.535SS..Hα-helixtrans-67.5-47.1173.2-178.163.3000110.7L286 Q287 Q292 T293 E294L286-L290 PolarHBondContact O-N 3.19Å; L286-L290 VanDerWaalsContact O-N 3.09Å; Q287-L290 WeakPolarHBondContact O-CA 3.38Å; Q287-L290 WeakPolarHBondContact O-CB 3.46Å; Q287-L290 PolarHBondContact O-N 3.34Å; L290-Q292 PolarHBondContact O-N 2.99Å; L290-T293 PolarHBondContact O-N 2.87Å; L290-T293 PolarHBondContact O-OG1 2.9Å; L290-E294 PolarHBondContact O-N 2.82Å
291D75.9Confident72Confident70 Ų70103 Ų10337%0.37453%0.533SS..Hα-helixtrans-59.5-35.3179.4-57.8-13.8000111.6Q287 A295Q287-D291 PolarHBondContact NE2-OD1 3.11Å; Q287-D291 VanDerWaalsContact O-CG 3.31Å; Q287-D291 PolarHBondContact O-N 3.44Å; D291-A295 PolarHBondContact O-N 3.43Å
292Q72Confident71.2Confident118 Ų118106.3 Ų106.355%0.55154%0.539SS*.Hα-helixtrans-63.1-46.2173.5-176.967.841.400112.4N288 L290 A295 E296N288-Q292 PolarHBondContact O-N 3Å; L290-Q292 PolarHBondContact O-N 2.99Å; Q292-A295 WeakPolarHBondContact O-CB 3.44Å; Q292-A295 PolarHBondContact O-N 2.84Å; Q292-E296 PolarHBondContact O-N 2.84Å
293T72.4Confident70.4Confident77 Ų77106.3 Ų106.347%0.47254%0.539SS..Hα-helixtrans-71.7-30.4179.258.30000112.6K289 L290 A295 E296 L297K289-T293 PolarHBondContact O-N 2.91Å; L290-T293 PolarHBondContact O-N 2.87Å; L290-T293 PolarHBondContact O-OG1 2.9Å; T293-A295 VanDerWaalsContact C-N 3.31Å; T293-A295 PolarHBondContact O-N 2.97Å; T293-E296 PolarHBondContact O-N 3.31Å; T293-L297 PolarHBondContact O-N 2.87Å
294E74.4Confident69.4Low80 Ų80105.8 Ų105.837%0.37454%0.537SS..Hα-helixtrans-66.6-30.8171-64.9-164.6148.900113L290 E296 L297 R298L290-E294 PolarHBondContact O-N 2.82Å; E294-E296 VanDerWaalsContact C-N 3.32Å; E294-L297 PolarHBondContact O-N 3.32Å; E294-R298 VanDerWaalsContact O-CG 3.28Å; E294-R298 WeakPolarHBondContact O-CG 3.44Å; E294-R298 PolarHBondContact O-N 2.88Å; E294-R298 IonicContact OE2-CZ 2.64Å; E294-R298 VanDerWaalsContact OE2-CZ 3.31Å; E294-R298 IonicContact OE2-NH1 3.72Å; E294-R298 PolarHBondContact OE2-NH1 2.92Å; E294-R298 VanDerWaalsContact OE2-NH1 3.12Å; E294-R298 IonicContact OE2-NH2 3.38Å; E294-R298 PolarHBondContact OE2-NH2 3.07Å
295A68.8Low68.6Low52 Ų52103.5 Ų103.543%0.4353%0.528SS..Hα-helixtrans-64.8-37.9176.100000111.9D291 Q292 T293 R298 S299D291-A295 PolarHBondContact O-N 3.43Å; Q292-A295 WeakPolarHBondContact O-CB 3.44Å; Q292-A295 PolarHBondContact O-N 2.84Å; T293-A295 VanDerWaalsContact C-N 3.31Å; T293-A295 PolarHBondContact O-N 2.97Å; A295-R298 PolarHBondContact O-N 2.94Å; A295-S299 PolarHBondContact O-N 3.09Å
296E69.4Low67.6Low119 Ų119107.7 Ų107.756%0.55655%0.547SS*.Hα-helixtrans-66.5-42.4174.6-66.9168-168.300111Q292 T293 E294 R298 S299 L300Q292-E296 PolarHBondContact O-N 2.84Å; T293-E296 PolarHBondContact O-N 3.31Å; E294-E296 VanDerWaalsContact C-N 3.32Å; E296-R298 VanDerWaalsContact C-N 3.3Å; E296-R298 PolarHBondContact O-N 3Å; E296-S299 VanDerWaalsContact O-CB 3.27Å; E296-S299 WeakPolarHBondContact O-CB 3.49Å; E296-S299 PolarHBondContact O-N 3.08Å; E296-L300 PolarHBondContact O-N 2.75Å
297L63Low66.3Low127 Ų127109.4 Ų109.467%0.66556%0.556SS**Hα-helixtrans-60.4-37.4175.6-145.480.2000112.7T293 E294 S299 L300 S301T293-L297 PolarHBondContact O-N 2.87Å; E294-L297 PolarHBondContact O-N 3.32Å; L297-S299 VanDerWaalsContact C-N 3.25Å; L297-S299 PolarHBondContact O-N 2.91Å; L297-L300 PolarHBondContact O-N 2.91Å; L297-S301 PolarHBondContact O-N 3.09Å; L297-S301 VanDerWaalsContact O-N 3.13Å
298R68.2Low65.1Low147 Ų147113.8 Ų113.856%0.55557%0.569SS**Hα-helixtrans-68.7-19.9175.7-71.4168-176115.56113.5E294 A295 E296E294-R298 VanDerWaalsContact O-CG 3.28Å; E294-R298 WeakPolarHBondContact O-CG 3.44Å; E294-R298 PolarHBondContact O-N 2.88Å; E294-R298 IonicContact OE2-CZ 2.64Å; E294-R298 VanDerWaalsContact OE2-CZ 3.31Å; E294-R298 IonicContact OE2-NH1 3.72Å; E294-R298 PolarHBondContact OE2-NH1 2.92Å; E294-R298 VanDerWaalsContact OE2-NH1 3.12Å; E294-R298 IonicContact OE2-NH2 3.38Å; E294-R298 PolarHBondContact OE2-NH2 3.07Å; A295-R298 PolarHBondContact O-N 2.94Å; E296-R298 VanDerWaalsContact C-N 3.3Å; E296-R298 PolarHBondContact O-N 3Å
299S61.2Low63.7Low81 Ų81115.6 Ų115.657%0.56658%0.578SS**Hα-helixtrans-72.7-55.4171.8-164.20000110.5A295 E296 L297 S301 K302A295-S299 PolarHBondContact O-N 3.09Å; E296-S299 VanDerWaalsContact O-CB 3.27Å; E296-S299 WeakPolarHBondContact O-CB 3.49Å; E296-S299 PolarHBondContact O-N 3.08Å; L297-S299 VanDerWaalsContact C-N 3.25Å; L297-S299 PolarHBondContact O-N 2.91Å; S299-S301 PolarHBondContact O-N 3.3Å; S299-K302 WeakPolarHBondContact O-CB 3.47Å; S299-K302 PolarHBondContact O-N 2.7Å
300L59.9Low62.1Low96 Ų96114.2 Ų114.250%0.50359%0.587SS.*Hα-helixtrans-59.9-32.6-178.9-167.566.1000112.5E296 L297 K302 E303E296-L300 PolarHBondContact O-N 2.75Å; L297-L300 PolarHBondContact O-N 2.91Å; L300-K302 PolarHBondContact O-N 2.9Å; L300-E303 PolarHBondContact O-N 2.69Å
301S58.9Low61Low82 Ų82117.5 Ų117.557%0.57360%0.604SS**Hα-helixtrans-61.6-19.5175.6-172.40000114.6L297 S299L297-S301 PolarHBondContact O-N 3.09Å; L297-S301 VanDerWaalsContact O-N 3.13Å; S299-S301 PolarHBondContact O-N 3.3Å
302K62.2Low59.3Low165 Ų165116.6 Ų116.672%0.71761%0.606SS**Hα-helixtrans-76.9-28.6177.1-76178.4174.8173.30113S299 L300 Q305S299-K302 WeakPolarHBondContact O-CB 3.47Å; S299-K302 PolarHBondContact O-N 2.7Å; L300-K302 PolarHBondContact O-N 2.9Å; K302-Q305 PolarHBondContact O-N 2.72Å
303E60.6Low58Low140 Ų140120.5 Ų120.565%0.65462%0.624SS**Hα-helixtrans-72.7-37.7-176.6-58.9-172.1155.200111.4L300 Q305 V306L300-E303 PolarHBondContact O-N 2.69Å; E303-Q305 PolarHBondContact O-N 2.87Å; E303-V306 PolarHBondContact O-N 2.98Å
304F55.9Low56.5Low146 Ų146126.2 Ų126.264%0.6464%0.637SS**G310 helixtrans-64.2-22.3175.7-80.4-83.8000114.5V306 L307F304-V306 VanDerWaalsContact C-N 3.28Å; F304-V306 PolarHBondContact O-N 3.09Å; F304-L307 PolarHBondContact O-N 3.42Å
305Q61Low55.1Low100 Ų100128 Ų12847%0.46765%0.65SS.*G310 helixtrans-70.3-24.1-175.9-172.658.627.300112.9K302 E303 L307 R308K302-Q305 PolarHBondContact O-N 2.72Å; E303-Q305 PolarHBondContact O-N 2.87Å; Q305-L307 VanDerWaalsContact C-N 3.35Å; Q305-L307 PolarHBondContact O-N 3.1Å; Q305-R308 PolarHBondContact O-N 3.29Å
306V56.5Low54.2Low119 Ų119133.1 Ų133.172%0.72168%0.676SS**G310 helixtrans-69.1-32.5-179.5-179.70000112E303 F304E303-V306 PolarHBondContact O-N 2.98Å; F304-V306 VanDerWaalsContact C-N 3.28Å; F304-V306 PolarHBondContact O-N 3.09Å
307L48.2Very low53.3Low147 Ų147131.8 Ų131.877%0.7768%0.679SS**G310 helixtrans-82.7-8.9-178.4-70.6167.8000113.8F304 Q305F304-L307 PolarHBondContact O-N 3.42Å; Q305-L307 VanDerWaalsContact C-N 3.35Å; Q305-L307 PolarHBondContact O-N 3.1Å
308R54.2Low52.7Low186 Ų186131.2 Ų131.270%0.70268%0.681SS**G310 helixtrans-85.2-7.5-171.3-134.2179.888159.44.8115.4Q305 S310Q305-R308 PolarHBondContact O-N 3.29Å; R308-S310 PolarHBondContact O-N 2.94Å
309N45.1Very low52.1Low141 Ų141131 Ų13175%0.75469%0.69SS**G310 helixtrans-89.69.6-170.9-70.2-12000115.2
310S42.4Very low51.6Low116 Ų116136 Ų13681%0.81170%0.704SS**G310 helixtrans-110-17.3-178.5-163.10000114.1R308 A312R308-S310 PolarHBondContact O-N 2.94Å; S310-A312 PolarHBondContact O-N 3.48Å
311L49.9Very low51.3Low159 Ų159138 Ų13883%0.83272%0.715SS**SBendtrans-92.488.6-173.1-171.959.4000112.2
312A41.5Very low50.8Low50 Ų50140.3 Ų140.341%0.41372%0.717SS.*  trans29.8128155.300000118.8S310 R314S310-A312 PolarHBondContact O-N 3.48Å; A312-R314 HydrophobicContact CB-CB 4.25Å; A312-R314 PolarHBondContact O-N 3.16Å
313Q43.6Very low50.5Low200 Ų200139.2 Ų139.294%0.93572%0.719SS**  cis55.824.941.8-146.1178.2-0.300114.3
314R42.1Very low50.4Low198 Ų198137.5 Ų137.575%0.74772%0.718SS**  trans-154137.4164.2-87-170.6-172.793.91.1106A312A312-R314 HydrophobicContact CB-CB 4.25Å; A312-R314 PolarHBondContact O-N 3.16Å
315D43.6Very low50.5Low118 Ų118136.1 Ų136.163%0.63172%0.716SS**  cis-137.7118.611.6-72.3-60.8000112.9S317D315-S317 VanDerWaalsContact C-N 3.34Å; D315-S317 PolarHBondContact O-N 2.92Å
316T51.6Low50.6Low159 Ų159135.8 Ų135.898%0.97572%0.721SS**  trans-90.962.4175-46.10000110.9
317S48.9Very low50.7Low90 Ų90134.9 Ų134.963%0.62972%0.716SS**  trans-141.21.1-171.657.30000116.3D315D315-S317 VanDerWaalsContact C-N 3.34Å; D315-S317 PolarHBondContact O-N 2.92Å
318V52.2Low51.2Low116 Ų116134.1 Ų134.170%0.70371%0.712SS**  trans-86.2-10.5-172.6-176.90000113.9Q320V318-Q320 VanDerWaalsContact C-N 3.27Å; V318-Q320 PolarHBondContact O-N 2.98Å
319L55.6Low51.4Low143 Ų143129.5 Ų129.575%0.74970%0.704SS**G310 helixtrans-71.8-5.1-164.3-137.978000116.5
320Q50.5Low52.2Low184 Ų184130 Ų13086%0.8670%0.702SS**G310 helixtrans-90.1-4.4-174-70.8-174.3-21.800115.1V318V318-Q320 VanDerWaalsContact C-N 3.27Å; V318-Q320 PolarHBondContact O-N 2.98Å
321L52.2Low53.1Low138 Ų138132.2 Ų132.272%0.72370%0.697SS**G310 helixtrans-93.61.8179.9-70.4173.5000115.1
322Q49.7Very low53.8Low131 Ų131129.9 Ų129.961%0.61269%0.685SS**G310 helixtrans-78.1-20.6-176.5-73.8-177.9-49.400114.9T324Q322-T324 VanDerWaalsContact C-N 3.34Å; Q322-T324 PolarHBondContact O-N 3Å
323N55.6Low55Low142 Ų142131.8 Ų131.876%0.75969%0.692SS**G310 helixtrans-78.9-3.9-169.7-101.3-13.7000116.1
324T59.1Low55.9Low105 Ų105126.7 Ų126.764%0.64467%0.674SS**G310 helixtrans-96.3-17.5177.3440000113.7Q322Q322-T324 VanDerWaalsContact C-N 3.34Å; Q322-T324 PolarHBondContact O-N 3Å
325I58.1Low56.7Low117 Ų117120 Ų12060%0.666%0.661SS**THydrogen-bonded Turntrans-74.5-38.3-174.5-63.1175.8000111.3T327 L328 T329I325-T327 VanDerWaalsContact C-N 3.28Å; I325-T327 PolarHBondContact O-N 2.86Å; I325-L328 PolarHBondContact O-N 3.32Å; I325-T329 PolarHBondContact O-OG1 3.36Å
326T62.8Low57.7Low93 Ų93119.3 Ų119.357%0.57165%0.654SS**Hα-helixtrans-58.1-33.4-176.316.30000114.2L328T326-L328 PolarHBondContact O-N 3.44Å
327T59Low58.6Low99 Ų99119.8 Ų119.861%0.60764%0.638SS**Hα-helixtrans-76.6-19.6-173.1-45.10000113.7I325I325-T327 VanDerWaalsContact C-N 3.28Å; I325-T327 PolarHBondContact O-N 2.86Å
328L57.3Low59.5Low132 Ų132123 Ų12369%0.69164%0.641SS**Hα-helixtrans-87.8-33.6178.9-69.3175.2000112.7I325 T326 Q330 K331I325-L328 PolarHBondContact O-N 3.32Å; T326-L328 PolarHBondContact O-N 3.44Å; L328-Q330 PolarHBondContact O-N 3.32Å; L328-Q330 VanDerWaalsContact O-N 3.15Å; L328-K331 PolarHBondContact O-N 2.85Å
329T59.2Low60.4Low88 Ų88122.8 Ų122.854%0.5463%0.632SS.*Hα-helixtrans-55.4-34.1179.4-47.10000112.8I325 K331 L332I325-T329 PolarHBondContact O-OG1 3.36Å; T329-K331 VanDerWaalsContact C-N 3.31Å; T329-K331 PolarHBondContact O-N 3.08Å; T329-L332 PolarHBondContact O-N 2.82Å
330Q61Low61.3Low152 Ų152119.9 Ų119.971%0.7162%0.62SS**Hα-helixtrans-74.6-12-175-121.91732.400115.2L328 T333L328-Q330 PolarHBondContact O-N 3.32Å; L328-Q330 VanDerWaalsContact O-N 3.15Å; Q330-T333 PolarHBondContact O-OG1 3.38Å
331K62.5Low62.5Low163 Ų163115.4 Ų115.471%0.70960%0.599SS**Hα-helixtrans-91.5-23174.6-69.4-174.1177.6-179.10113.2L328 T329 T334L328-K331 PolarHBondContact O-N 2.85Å; T329-K331 VanDerWaalsContact C-N 3.31Å; T329-K331 PolarHBondContact O-N 3.08Å; K331-T334 PolarHBondContact O-OG1 3.43Å
332L64.7Low63.5Low110 Ų110111.6 Ų111.658%0.57658%0.584SS**Hα-helixtrans-70-42.1178.9-175.362000111.6T329 T334 A335T329-L332 PolarHBondContact O-N 2.82Å; L332-T334 VanDerWaalsContact C-N 3.31Å; L332-T334 PolarHBondContact O-N 2.96Å; L332-A335 PolarHBondContact O-N 3.08Å
333T65.1Low64.9Low90 Ų90109.7 Ų109.755%0.55258%0.575SS**Hα-helixtrans-65.6-30.3-179.351.60000113.6Q330 A335 R337Q330-T333 PolarHBondContact O-OG1 3.38Å; T333-A335 VanDerWaalsContact C-N 3.32Å; T333-A335 PolarHBondContact O-N 3.26Å; T333-R337 PolarHBondContact O-N 2.94Å
334T62.8Low66.1Low92 Ų92105.4 Ų105.456%0.56456%0.56SS**Hα-helixtrans-73-18.8175.639.80000114.4K331 L332K331-T334 PolarHBondContact O-OG1 3.43Å; L332-T334 VanDerWaalsContact C-N 3.31Å; L332-T334 PolarHBondContact O-N 2.96Å
335A59.9Low67.1Low58 Ų58103.4 Ų103.448%0.47955%0.55SS..Hα-helixtrans-78.1-54.8174.700000111L332 T333 R337 K338 E339L332-A335 PolarHBondContact O-N 3.08Å; T333-A335 VanDerWaalsContact C-N 3.32Å; T333-A335 PolarHBondContact O-N 3.26Å; A335-R337 PolarHBondContact O-N 3.47Å; A335-R337 VanDerWaalsContact O-N 3.11Å; A335-K338 PolarHBondContact O-N 3.05Å; A335-E339 PolarHBondContact O-N 3.01Å
336H64.9Low68.3Low104 Ų104102.8 Ų102.848%0.48155%0.547SS..Hα-helixtrans-58-27.5-179.2-73.8-44.8000114E339 T340H336-E339 IonicContact CE1-OE2 3.6Å; H336-E339 IonicContact CG-OE2 3.82Å; H336-E339 IonicContact ND1-OE2 2.71Å; H336-E339 PolarHBondContact ND1-OE2 2.79Å; H336-E339 WeakPolarHBondContact O-CB 3.43Å; H336-E339 PolarHBondContact O-N 3.12Å; H336-T340 PolarHBondContact O-N 2.93Å; H336-T340 PolarHBondContact O-OG1 2.79Å
337R70.4Confident69.4Low169 Ų169103.1 Ų103.164%0.63854%0.541SS*.Hα-helixtrans-65.7-40.3174.3-174.6-176.5160.4127.111.1112.8T333 A335 E339 T340 E341T333-R337 PolarHBondContact O-N 2.94Å; A335-R337 PolarHBondContact O-N 3.47Å; A335-R337 VanDerWaalsContact O-N 3.11Å; R337-E339 VanDerWaalsContact C-N 3.34Å; R337-T340 PolarHBondContact O-OG1 2.85Å; R337-T340 VanDerWaalsContact O-OG1 3.12Å; R337-E341 IonicContact CZ-OE1 3.15Å; R337-E341 IonicContact NE-OE1 2.76Å; R337-E341 PolarHBondContact NE-OE1 2.97Å; R337-E341 IonicContact NH2-OE1 2.7Å; R337-E341 PolarHBondContact NH2-OE1 3.12Å; R337-E341 WeakPolarHBondContact O-CG 3.49Å; R337-E341 PolarHBondContact O-N 3Å; R337-E341 VanDerWaalsContact O-N 3.12Å
338K67.8Low70.8Confident157 Ų157104.2 Ų104.268%0.68354%0.539SS*.Hα-helixtrans-73.6-32.1177.7-70.9-169.2173.1-1710111.9A335 S342A335-K338 PolarHBondContact O-N 3.05Å; K338-S342 WeakPolarHBondContact O-CB 3.48Å; K338-S342 PolarHBondContact O-N 2.88Å; K338-S342 PolarHBondContact O-OG 2.81Å
339E70.4Confident72Confident112 Ų112103.2 Ų103.252%0.52353%0.532SS..Hα-helixtrans-60.1-51.1172.7-169.4170.6-147.200110.9A335 H336 R337 E341 S342 E343A335-E339 PolarHBondContact O-N 3.01Å; H336-E339 IonicContact CE1-OE2 3.6Å; H336-E339 IonicContact CG-OE2 3.82Å; H336-E339 IonicContact ND1-OE2 2.71Å; H336-E339 PolarHBondContact ND1-OE2 2.79Å; H336-E339 WeakPolarHBondContact O-CB 3.43Å; H336-E339 PolarHBondContact O-N 3.12Å; R337-E339 VanDerWaalsContact C-N 3.34Å; E339-E341 PolarHBondContact O-N 2.69Å; E339-S342 PolarHBondContact O-N 2.96Å; E339-S342 PolarHBondContact O-OG 3.2Å; E339-E343 PolarHBondContact O-N 2.9Å
340T73.9Confident73.4Confident81 Ų81105.2 Ų105.250%0.49753%0.53SS..Hα-helixtrans-67.7-34.2177.855.10000113.7H336 R337 S342 E343 A344H336-T340 PolarHBondContact O-N 2.93Å; H336-T340 PolarHBondContact O-OG1 2.79Å; R337-T340 PolarHBondContact O-OG1 2.85Å; R337-T340 VanDerWaalsContact O-OG1 3.12Å; T340-S342 VanDerWaalsContact C-N 3.34Å; T340-E343 PolarHBondContact O-N 2.87Å; T340-A344 WeakPolarHBondContact O-CB 3.41Å; T340-A344 PolarHBondContact O-N 2.93Å
341E75.5Confident74.6Confident90 Ų9099.7 Ų99.742%0.42151%0.508SS..Hα-helixtrans-62.7-38.7170.9-74.9169.4178.700111.9R337 E339 S345R337-E341 IonicContact CZ-OE1 3.15Å; R337-E341 IonicContact NE-OE1 2.76Å; R337-E341 PolarHBondContact NE-OE1 2.97Å; R337-E341 IonicContact NH2-OE1 2.7Å; R337-E341 PolarHBondContact NH2-OE1 3.12Å; R337-E341 WeakPolarHBondContact O-CG 3.49Å; R337-E341 PolarHBondContact O-N 3Å; R337-E341 VanDerWaalsContact O-N 3.12Å; E339-E341 PolarHBondContact O-N 2.69Å; E341-S345 PolarHBondContact O-N 2.88Å
342S73Confident76Confident58 Ų5895.8 Ų95.841%0.40650%0.495SS..Hα-helixtrans-73.3-34174.774.70000113.4K338 E339 T340 A344 S345 L346K338-S342 WeakPolarHBondContact O-CB 3.48Å; K338-S342 PolarHBondContact O-N 2.88Å; K338-S342 PolarHBondContact O-OG 2.81Å; E339-S342 PolarHBondContact O-N 2.96Å; E339-S342 PolarHBondContact O-OG 3.2Å; T340-S342 VanDerWaalsContact C-N 3.34Å; S342-A344 VanDerWaalsContact C-N 3.33Å; S342-S345 PolarHBondContact O-N 2.95Å; S342-S345 PolarHBondContact O-OG 2.73Å; S342-S345 VanDerWaalsContact O-OG 3.08Å; S342-L346 WeakPolarHBondContact O-CB 3.36Å; S342-L346 WeakPolarHBondContact O-CG 3.27Å; S342-L346 PolarHBondContact O-N 3.3Å
343E79.7Confident77.1Confident91 Ų9198.4 Ų98.443%0.42550%0.497SS..Hα-helixtrans-69.8-34.2176.5-153.6-143.9163.300111.1E339 T340 K347E339-E343 PolarHBondContact O-N 2.9Å; T340-E343 PolarHBondContact O-N 2.87Å; E343-K347 VanDerWaalsContact CD-CE 3.42Å; E343-K347 WeakPolarHBondContact O-CD 3.48Å; E343-K347 VanDerWaalsContact O-CG 3.27Å; E343-K347 WeakPolarHBondContact O-CG 3.31Å; E343-K347 PolarHBondContact O-N 3.21Å; E343-K347 WeakPolarHBondContact OE1-CE 3.33Å; E343-K347 IonicContact OE1-NZ 2.75Å; E343-K347 PolarHBondContact OE1-NZ 3.47Å; E343-K347 IonicContact OE2-NZ 2.75Å; E343-K347 PolarHBondContact OE2-NZ 2.93Å
344A81.4Confident78.3Confident53 Ų5399.8 Ų99.844%0.43850%0.497SS..Hα-helixtrans-64.8-47.8173.500000112.1T340 S342 L346 K347 E348T340-A344 WeakPolarHBondContact O-CB 3.41Å; T340-A344 PolarHBondContact O-N 2.93Å; S342-A344 VanDerWaalsContact C-N 3.33Å; A344-L346 VanDerWaalsContact C-N 3.3Å; A344-L346 PolarHBondContact O-N 2.9Å; A344-K347 WeakPolarHBondContact O-CA 3.24Å; A344-K347 WeakPolarHBondContact O-CB 3.31Å; A344-K347 PolarHBondContact O-N 2.91Å; A344-E348 PolarHBondContact O-N 2.91Å
345S80.6Confident79.7Confident62 Ų62102.4 Ų102.443%0.43450%0.496SS..Hα-helixtrans-66.5-31.9177.365.40000112.5E341 S342 K347 E348 M349E341-S345 PolarHBondContact O-N 2.88Å; S342-S345 PolarHBondContact O-N 2.95Å; S342-S345 PolarHBondContact O-OG 2.73Å; S342-S345 VanDerWaalsContact O-OG 3.08Å; S345-K347 VanDerWaalsContact C-N 3.34Å; S345-E348 PolarHBondContact O-N 2.68Å; S345-M349 WeakPolarHBondContact O-CB 3.39Å; S345-M349 PolarHBondContact O-N 3.02Å
346L82.6Confident81.3Confident104 Ų104105.8 Ų105.855%0.54550%0.501SS..Hα-helixtrans-68.6-27.4169.8-75.2171.3000113.5S342 A344 R350S342-L346 WeakPolarHBondContact O-CB 3.36Å; S342-L346 WeakPolarHBondContact O-CG 3.27Å; S342-L346 PolarHBondContact O-N 3.3Å; A344-L346 VanDerWaalsContact C-N 3.3Å; A344-L346 PolarHBondContact O-N 2.9Å; L346-R350 WeakPolarHBondContact O-CG 3.37Å; L346-R350 PolarHBondContact O-N 2.91Å; L346-R350 PolarHBondContact O-NE 3.26Å
347K85.4Confident82.6Confident100 Ų100104.4 Ų104.444%0.43549%0.494SS..Hα-helixtrans-74.8-41.3170.9-72.7162.1-176.8167.10110.8E343 A344 S345 R350 S351E343-K347 VanDerWaalsContact CD-CE 3.42Å; E343-K347 WeakPolarHBondContact O-CD 3.48Å; E343-K347 VanDerWaalsContact O-CG 3.27Å; E343-K347 WeakPolarHBondContact O-CG 3.31Å; E343-K347 PolarHBondContact O-N 3.21Å; E343-K347 WeakPolarHBondContact OE1-CE 3.33Å; E343-K347 IonicContact OE1-NZ 2.75Å; E343-K347 PolarHBondContact OE1-NZ 3.47Å; E343-K347 IonicContact OE2-NZ 2.75Å; E343-K347 PolarHBondContact OE2-NZ 2.93Å; A344-K347 WeakPolarHBondContact O-CA 3.24Å; A344-K347 WeakPolarHBondContact O-CB 3.31Å; A344-K347 PolarHBondContact O-N 2.91Å; S345-K347 VanDerWaalsContact C-N 3.34Å; K347-R350 WeakPolarHBondContact O-CB 3.19Å; K347-R350 PolarHBondContact O-N 3.07Å; K347-S351 PolarHBondContact O-N 3.23Å
348E88.2Confident83.6Confident123 Ų123101.5 Ų101.558%0.57549%0.489SS*.Hα-helixtrans-64-45.8176.6-172.7167.4-153.600112.2A344 S345 R350 S351 L352A344-E348 PolarHBondContact O-N 2.91Å; S345-E348 PolarHBondContact O-N 2.68Å; E348-R350 VanDerWaalsContact C-N 3.29Å; E348-R350 PolarHBondContact O-N 2.8Å; E348-S351 WeakPolarHBondContact O-CB 3.28Å; E348-S351 PolarHBondContact O-N 3.42Å; E348-S351 VanDerWaalsContact O-N 3.11Å; E348-S351 PolarHBondContact O-OG 3.2Å; E348-L352 HydrophobicContact CG-CD1 4.29Å; E348-L352 PolarHBondContact O-N 2.96Å
349M83.1Confident84.6Confident111 Ų11197.2 Ų97.255%0.54748%0.479SS..Hα-helixtrans-59.8-35174.1-85.9-63.8-62.600113.4S345 L352 R353S345-M349 WeakPolarHBondContact O-CB 3.39Å; S345-M349 PolarHBondContact O-N 3.02Å; M349-L352 PolarHBondContact O-N 3.47Å; M349-L352 HydrophobicContact SD-CD1 4.42Å; M349-R353 WeakPolarHBondContact O-CB 3.05Å; M349-R353 PolarHBondContact O-N 3.32Å
350R87.9Confident85.7Confident129 Ų12996.1 Ų96.149%0.48747%0.474SS..Hα-helixtrans-64.4-50.2170.8-84.3175.2-79.1176.2-7.7111L346 K347 E348 L352 R353 E354L346-R350 WeakPolarHBondContact O-CG 3.37Å; L346-R350 PolarHBondContact O-N 2.91Å; L346-R350 PolarHBondContact O-NE 3.26Å; K347-R350 WeakPolarHBondContact O-CB 3.19Å; K347-R350 PolarHBondContact O-N 3.07Å; E348-R350 VanDerWaalsContact C-N 3.29Å; E348-R350 PolarHBondContact O-N 2.8Å; R350-L352 PolarHBondContact O-N 2.91Å; R350-L352 VanDerWaalsContact O-N 3.17Å; R350-R353 PolarHBondContact O-N 2.88Å; R350-R353 VanDerWaalsContact O-N 3.09Å; R350-E354 WeakPolarHBondContact O-CB 3.37Å; R350-E354 VanDerWaalsContact O-CG 3.3Å; R350-E354 WeakPolarHBondContact O-CG 3.48Å; R350-E354 PolarHBondContact O-N 3.05Å
351S87.8Confident86.6Confident37 Ų37100.3 Ų100.326%0.25948%0.48SS..Hα-helixtrans-59-30.4176.785.40000113.9K347 E348 R355K347-S351 PolarHBondContact O-N 3.23Å; E348-S351 WeakPolarHBondContact O-CB 3.28Å; E348-S351 PolarHBondContact O-N 3.42Å; E348-S351 VanDerWaalsContact O-N 3.11Å; E348-S351 PolarHBondContact O-OG 3.2Å; S351-R355 WeakPolarHBondContact O-CB 3.46Å; S351-R355 VanDerWaalsContact O-CG 3.29Å; S351-R355 WeakPolarHBondContact O-CG 3.49Å; S351-R355 PolarHBondContact O-N 3.18Å; S351-R355 VanDerWaalsContact O-N 3.12Å; S351-R355 PolarHBondContact O-NE 2.71Å; S351-R355 PolarHBondContact OG-NH2 3.1Å
352L90.2Very high87.5Confident81 Ų81100 Ų10042%0.42449%0.485SS..Hα-helixtrans-75.3-43.5176.2-78.7165.7000111.2E348 M349 R350 R355 F356E348-L352 HydrophobicContact CG-CD1 4.29Å; E348-L352 PolarHBondContact O-N 2.96Å; M349-L352 PolarHBondContact O-N 3.47Å; M349-L352 HydrophobicContact SD-CD1 4.42Å; R350-L352 PolarHBondContact O-N 2.91Å; R350-L352 VanDerWaalsContact O-N 3.17Å; L352-R355 PolarHBondContact O-N 3.41Å; L352-F356 WeakPolarHBondContact O-CB 3.39Å; L352-F356 PolarHBondContact O-N 2.88Å
353R89.5Confident88.5Confident165 Ų165101.3 Ų101.362%0.62349%0.49SS*.Hα-helixtrans-66.7-39.1175.6-177.3174.1-71.3-169.9-3.7112.1M349 R350 F356 H357M349-R353 WeakPolarHBondContact O-CB 3.05Å; M349-R353 PolarHBondContact O-N 3.32Å; R350-R353 PolarHBondContact O-N 2.88Å; R350-R353 VanDerWaalsContact O-N 3.09Å; R353-F356 PolarHBondContact O-N 3.01Å; R353-H357 WeakPolarHBondContact CG-NE2 3.42Å; R353-H357 PolarHBondContact O-CD2 3.05Å; R353-H357 PolarHBondContact O-N 3Å
354E90.5Very high89.1Confident119 Ų119101.9 Ų101.956%0.55649%0.493SS*.Hα-helixtrans-61.6-48.5173.1-72.8155.3-158.500111.1R350 F356 H357 M358R350-E354 WeakPolarHBondContact O-CB 3.37Å; R350-E354 VanDerWaalsContact O-CG 3.3Å; R350-E354 WeakPolarHBondContact O-CG 3.48Å; R350-E354 PolarHBondContact O-N 3.05Å; E354-F356 VanDerWaalsContact C-N 3.32Å; E354-F356 PolarHBondContact O-N 3.24Å; E354-H357 PolarHBondContact O-N 3.11Å; E354-M358 WeakPolarHBondContact O-CG 3.15Å; E354-M358 PolarHBondContact O-N 3.23Å
355R92.1Very high89.7Confident146 Ų146100.7 Ų100.755%0.55149%0.486SS*.Hα-helixtrans-60.9-38.2173.6-80178.4-74.4160.2-11.3112.8S351 L352 M358 S359S351-R355 WeakPolarHBondContact O-CB 3.46Å; S351-R355 VanDerWaalsContact O-CG 3.29Å; S351-R355 WeakPolarHBondContact O-CG 3.49Å; S351-R355 PolarHBondContact O-N 3.18Å; S351-R355 VanDerWaalsContact O-N 3.12Å; S351-R355 PolarHBondContact O-NE 2.71Å; S351-R355 PolarHBondContact OG-NH2 3.1Å; L352-R355 PolarHBondContact O-N 3.41Å; R355-M358 PolarHBondContact O-N 2.76Å; R355-S359 PolarHBondContact O-N 2.68Å
356F92Very high90.4Very high129 Ų129102.9 Ų102.957%0.56649%0.492SS*.Hα-helixtrans-61.8-51.5174.2-178.4-90.5000111.2L352 R353 E354 M358 S359 E360L352-F356 WeakPolarHBondContact O-CB 3.39Å; L352-F356 PolarHBondContact O-N 2.88Å; R353-F356 PolarHBondContact O-N 3.01Å; E354-F356 VanDerWaalsContact C-N 3.32Å; E354-F356 PolarHBondContact O-N 3.24Å; F356-M358 VanDerWaalsContact C-N 3.28Å; F356-M358 PolarHBondContact O-N 2.96Å; F356-S359 CarbonylContact O-C 3.56Å; F356-S359 WeakPolarHBondContact O-CA 3.47Å; F356-S359 WeakPolarHBondContact O-CB 3.44Å; F356-S359 PolarHBondContact O-N 3.44Å; F356-E360 HydrophobicContact CE1-CB 4.44Å; F356-E360 WeakPolarHBondContact O-CB 3.33Å; F356-E360 PolarHBondContact O-N 2.87Å
357H91.8Very high91Very high75 Ų75103.2 Ų103.235%0.34749%0.489SS..Hα-helixtrans-64.1-29.9178-68.6-48.9000113.3R353 E354 E360 R361R353-H357 WeakPolarHBondContact CG-NE2 3.42Å; R353-H357 PolarHBondContact O-CD2 3.05Å; R353-H357 PolarHBondContact O-N 3Å; E354-H357 PolarHBondContact O-N 3.11Å; H357-E360 IonicContact CE1-OE2 2.81Å; H357-E360 IonicContact CG-OE2 2.8Å; H357-E360 IonicContact ND1-OE2 3.77Å; H357-E360 PolarHBondContact ND1-OE2 3.08Å; H357-R361 WeakPolarHBondContact O-CB 3.35Å; H357-R361 WeakPolarHBondContact O-CD 3.38Å; H357-R361 WeakPolarHBondContact O-CG 3.43Å; H357-R361 PolarHBondContact O-N 3.12Å
358M92Very high91.4Very high109 Ų109101.9 Ų101.954%0.53749%0.493SS..Hα-helixtrans-69.1-39.6170.7-68.6-56.7-65.600111.9E354 R355 F356 R361 T362E354-M358 WeakPolarHBondContact O-CG 3.15Å; E354-M358 PolarHBondContact O-N 3.23Å; R355-M358 PolarHBondContact O-N 2.76Å; F356-M358 VanDerWaalsContact C-N 3.28Å; F356-M358 PolarHBondContact O-N 2.96Å; M358-R361 PolarHBondContact SD-NH1 2.83Å; M358-R361 VanDerWaalsContact SD-NH1 3.38Å; M358-T362 PolarHBondContact O-N 2.92Å; M358-T362 VanDerWaalsContact O-N 3.11Å; M358-T362 PolarHBondContact O-OG1 2.78Å
359S90.1Very high91.8Very high66 Ų66100.2 Ų100.246%0.46249%0.488SS..Hα-helixtrans-67.1-38.7173.5-168.80000112.7R355 F356 T362 V363R355-S359 PolarHBondContact O-N 2.68Å; F356-S359 CarbonylContact O-C 3.56Å; F356-S359 WeakPolarHBondContact O-CA 3.47Å; F356-S359 WeakPolarHBondContact O-CB 3.44Å; F356-S359 PolarHBondContact O-N 3.44Å; S359-T362 WeakPolarHBondContact CA-OG1 3.35Å; S359-T362 PolarHBondContact O-N 2.8Å; S359-T362 PolarHBondContact O-OG1 2.86Å; S359-V363 WeakPolarHBondContact O-CG2 3.33Å; S359-V363 PolarHBondContact O-N 3.13Å
360E93.4Very high92.3Very high90 Ų90100.7 Ų100.742%0.42149%0.492SS..Hα-helixtrans-61.6-46.6176.1-173.8172.9-133.400110.2F356 H357 T362 V363 E364F356-E360 HydrophobicContact CE1-CB 4.44Å; F356-E360 WeakPolarHBondContact O-CB 3.33Å; F356-E360 PolarHBondContact O-N 2.87Å; H357-E360 IonicContact CE1-OE2 2.81Å; H357-E360 IonicContact CG-OE2 2.8Å; H357-E360 IonicContact ND1-OE2 3.77Å; H357-E360 PolarHBondContact ND1-OE2 3.08Å; E360-T362 PolarHBondContact O-N 2.65Å; E360-V363 PolarHBondContact O-N 3.37Å; E360-E364 WeakPolarHBondContact O-CB 3.38Å; E360-E364 PolarHBondContact O-N 3.16Å
361R92.6Very high92.7Very high168 Ų16898 Ų9863%0.63449%0.493SS*.Hα-helixtrans-61.2-37.9173.4-72.4164.4-176162.3-0.9113.4H357 M358 G365H357-R361 WeakPolarHBondContact O-CB 3.35Å; H357-R361 WeakPolarHBondContact O-CD 3.38Å; H357-R361 WeakPolarHBondContact O-CG 3.43Å; H357-R361 PolarHBondContact O-N 3.12Å; M358-R361 PolarHBondContact SD-NH1 2.83Å; M358-R361 VanDerWaalsContact SD-NH1 3.38Å; R361-G365 PolarHBondContact O-N 3.23Å
362T93.3Very high93Very high84 Ų8499.4 Ų99.452%0.51550%0.503SS..Hα-helixtrans-72.5-32.5176.455.10000112.5M358 S359 E360 L366M358-T362 PolarHBondContact O-N 2.92Å; M358-T362 VanDerWaalsContact O-N 3.11Å; M358-T362 PolarHBondContact O-OG1 2.78Å; S359-T362 WeakPolarHBondContact CA-OG1 3.35Å; S359-T362 PolarHBondContact O-N 2.8Å; S359-T362 PolarHBondContact O-OG1 2.86Å; E360-T362 PolarHBondContact O-N 2.65Å; T362-L366 WeakPolarHBondContact O-CB 3.44Å; T362-L366 VanDerWaalsContact O-CG 3.27Å; T362-L366 WeakPolarHBondContact O-CG 3.43Å; T362-L366 PolarHBondContact O-N 2.99Å
363V93.7Very high93.3Very high85 Ų85100.2 Ų100.252%0.51551%0.507SS..Hα-helixtrans-68-43.3171.7172.90000111.2S359 E360 G365 L366 K367S359-V363 WeakPolarHBondContact O-CG2 3.33Å; S359-V363 PolarHBondContact O-N 3.13Å; E360-V363 PolarHBondContact O-N 3.37Å; V363-G365 VanDerWaalsContact C-N 3.32Å; V363-G365 PolarHBondContact O-N 2.86Å; V363-L366 PolarHBondContact O-N 3.27Å; V363-K367 VanDerWaalsContact O-CB 3.28Å; V363-K367 WeakPolarHBondContact O-CB 3.31Å; V363-K367 PolarHBondContact O-N 3.48Å
364E93Very high93.5Very high103 Ų10394.5 Ų94.548%0.48150%0.495SS..Hα-helixtrans-65.5-36.8177.6-151.964.5-146.400111.6E360 K367 S368E360-E364 WeakPolarHBondContact O-CB 3.38Å; E360-E364 PolarHBondContact O-N 3.16Å; E364-K367 PolarHBondContact O-N 3.16Å; E364-K367 WeakPolarHBondContact OE1-CD 3.33Å; E364-K367 WeakPolarHBondContact OE1-CE 3.27Å; E364-K367 IonicContact OE1-NZ 2.71Å; E364-K367 PolarHBondContact OE1-NZ 2.96Å; E364-K367 IonicContact OE2-NZ 2.72Å; E364-S368 PolarHBondContact O-N 3.24Å
365G94.2Very high93.8Very high29 Ų2991.8 Ų91.830%0.29949%0.493SS..Hα-helixtrans-60.5-54.6169.800000112.7R361 V363 K367 S368 D369R361-G365 PolarHBondContact O-N 3.23Å; V363-G365 VanDerWaalsContact C-N 3.32Å; V363-G365 PolarHBondContact O-N 2.86Å; G365-K367 PolarHBondContact O-N 3.46Å; G365-S368 CarbonylContact O-C 3.57Å; G365-S368 WeakPolarHBondContact O-CA 3.31Å; G365-S368 VanDerWaalsContact O-CB 3.29Å; G365-S368 WeakPolarHBondContact O-CB 3.31Å; G365-S368 PolarHBondContact O-N 3.02Å; G365-D369 PolarHBondContact O-N 2.9Å
366L95Very high94Very high107 Ų10790.5 Ų90.556%0.5649%0.493SS*.Hα-helixtrans-59.7-31.5177.5-71.7169.4000112.9T362 V363 D369 L370T362-L366 WeakPolarHBondContact O-CB 3.44Å; T362-L366 VanDerWaalsContact O-CG 3.27Å; T362-L366 WeakPolarHBondContact O-CG 3.43Å; T362-L366 PolarHBondContact O-N 2.99Å; V363-L366 PolarHBondContact O-N 3.27Å; L366-D369 PolarHBondContact O-N 3.4Å; L366-L370 WeakPolarHBondContact O-CB 3.45Å; L366-L370 VanDerWaalsContact O-CG 3.28Å; L366-L370 WeakPolarHBondContact O-CG 3.44Å; L366-L370 PolarHBondContact O-N 3.22Å
367K95.5Very high94.1Very high111 Ų11189.7 Ų89.748%0.48349%0.489SS..Hα-helixtrans-69.8-38.8172.9172.1-174.5165.8-161.70112V363 E364 G365 S371V363-K367 VanDerWaalsContact O-CB 3.28Å; V363-K367 WeakPolarHBondContact O-CB 3.31Å; V363-K367 PolarHBondContact O-N 3.48Å; E364-K367 PolarHBondContact O-N 3.16Å; E364-K367 WeakPolarHBondContact OE1-CD 3.33Å; E364-K367 WeakPolarHBondContact OE1-CE 3.27Å; E364-K367 IonicContact OE1-NZ 2.71Å; E364-K367 PolarHBondContact OE1-NZ 2.96Å; E364-K367 IonicContact OE2-NZ 2.72Å; G365-K367 PolarHBondContact O-N 3.46Å; K367-S371 WeakPolarHBondContact O-CB 3.46Å; K367-S371 PolarHBondContact O-N 3.31Å; K367-S371 PolarHBondContact O-OG 3.3Å
368S93.8Very high94.3Very high73 Ų7390.1 Ų90.151%0.5149%0.494SS..Hα-helixtrans-63.4-44.2170.3-175.20000111.2E364 G365 S371 S372E364-S368 PolarHBondContact O-N 3.24Å; G365-S368 CarbonylContact O-C 3.57Å; G365-S368 WeakPolarHBondContact O-CA 3.31Å; G365-S368 VanDerWaalsContact O-CB 3.29Å; G365-S368 WeakPolarHBondContact O-CB 3.31Å; G365-S368 PolarHBondContact O-N 3.02Å; S368-S371 WeakPolarHBondContact O-CB 3.08Å; S368-S371 PolarHBondContact O-N 3.02Å; S368-S371 VanDerWaalsContact O-N 3.14Å; S368-S372 PolarHBondContact O-N 3.5Å; S368-S372 PolarHBondContact O-OG 3.3Å
369D95.4Very high94.5Very high88 Ų8890.4 Ų90.447%0.47149%0.494SS..Hα-helixtrans-65.3-40.5178.5-63.2-27.8000112.2G365 L366 S371 S372 L373G365-D369 PolarHBondContact O-N 2.9Å; L366-D369 PolarHBondContact O-N 3.4Å; D369-S371 VanDerWaalsContact C-N 3.29Å; D369-S371 PolarHBondContact O-N 3.27Å; D369-S372 PolarHBondContact O-N 3.46Å; D369-S372 PolarHBondContact O-OG 2.71Å; D369-L373 VanDerWaalsContact O-CB 3.31Å; D369-L373 WeakPolarHBondContact O-CB 3.38Å; D369-L373 WeakPolarHBondContact O-CD1 3.2Å; D369-L373 VanDerWaalsContact O-CG 3.22Å; D369-L373 WeakPolarHBondContact O-CG 3.29Å; D369-L373 PolarHBondContact O-N 2.81Å
370L95.1Very high94.9Very high121 Ų12190.9 Ų90.963%0.63449%0.494SS*.Hα-helixtrans-64.2-34.9171.9-77.2167.3000112.2L366 A374L366-L370 WeakPolarHBondContact O-CB 3.45Å; L366-L370 VanDerWaalsContact O-CG 3.28Å; L366-L370 WeakPolarHBondContact O-CG 3.44Å; L366-L370 PolarHBondContact O-N 3.22Å; L370-A374 WeakPolarHBondContact O-CB 3.14Å; L370-A374 PolarHBondContact O-N 2.8Å
371S94.9Very high95Very high73 Ų7392.3 Ų92.351%0.5150%0.501SS..Hα-helixtrans-71.1-40.3177.6-56.80000111.9K367 S368 D369 A374 A375K367-S371 WeakPolarHBondContact O-CB 3.46Å; K367-S371 PolarHBondContact O-N 3.31Å; K367-S371 PolarHBondContact O-OG 3.3Å; S368-S371 WeakPolarHBondContact O-CB 3.08Å; S368-S371 PolarHBondContact O-N 3.02Å; S368-S371 VanDerWaalsContact O-N 3.14Å; D369-S371 VanDerWaalsContact C-N 3.29Å; D369-S371 PolarHBondContact O-N 3.27Å; S371-A374 PolarHBondContact O-N 2.64Å; S371-A375 PolarHBondContact O-N 2.94Å
372S95.9Very high95.2Very high65 Ų6587.1 Ų87.146%0.45549%0.493SS..Hα-helixtrans-71.1-39.2176.767.10000112S368 D369 A374 A375 Q376S368-S372 PolarHBondContact O-N 3.5Å; S368-S372 PolarHBondContact O-OG 3.3Å; D369-S372 PolarHBondContact O-N 3.46Å; D369-S372 PolarHBondContact O-OG 2.71Å; S372-A374 VanDerWaalsContact C-N 3.35Å; S372-A374 PolarHBondContact O-N 2.72Å; S372-A375 PolarHBondContact O-N 2.83Å; S372-Q376 WeakPolarHBondContact O-CB 3.42Å; S372-Q376 PolarHBondContact O-N 2.94Å
373L95.6Very high95.4Very high98 Ų9887.7 Ų87.751%0.51349%0.49SS..Hα-helixtrans-63.2-37.8171.8-74.3169000112.4D369 K377D369-L373 VanDerWaalsContact O-CB 3.31Å; D369-L373 WeakPolarHBondContact O-CB 3.38Å; D369-L373 WeakPolarHBondContact O-CD1 3.2Å; D369-L373 VanDerWaalsContact O-CG 3.22Å; D369-L373 WeakPolarHBondContact O-CG 3.29Å; D369-L373 PolarHBondContact O-N 2.81Å; L373-K377 WeakPolarHBondContact O-CB 3.31Å; L373-K377 PolarHBondContact O-N 3.1Å
374A94.7Very high95.6Very high46 Ų4687.6 Ų87.638%0.3849%0.487SS..Hα-helixtrans-63.2-50.117400000111.3L370 S371 S372 Q376 K377 D378L370-A374 WeakPolarHBondContact O-CB 3.14Å; L370-A374 PolarHBondContact O-N 2.8Å; S371-A374 PolarHBondContact O-N 2.64Å; S372-A374 VanDerWaalsContact C-N 3.35Å; S372-A374 PolarHBondContact O-N 2.72Å; A374-Q376 VanDerWaalsContact C-N 3.33Å; A374-Q376 PolarHBondContact O-N 3.25Å; A374-K377 PolarHBondContact O-N 2.84Å; A374-K377 VanDerWaalsContact O-N 3.15Å; A374-D378 PolarHBondContact O-N 3.14Å
375A95.1Very high95.8Very high61 Ų6188.6 Ų88.650%0.50449%0.491SS..Hα-helixtrans-60-40.6176.500000112.5S371 S372 D378 H379S371-A375 PolarHBondContact O-N 2.94Å; S372-A375 PolarHBondContact O-N 2.83Å; A375-D378 PolarHBondContact O-N 2.92Å; A375-H379 WeakPolarHBondContact O-CB 3.37Å; A375-H379 PolarHBondContact O-N 3.15Å
376Q96.1Very high96Very high119 Ų11992.6 Ų92.656%0.55650%0.502SS*.Hα-helixtrans-63.6-42.5174.7-171.3-178.919.500111.7S372 A374 H379 V380S372-Q376 WeakPolarHBondContact O-CB 3.42Å; S372-Q376 PolarHBondContact O-N 2.94Å; A374-Q376 VanDerWaalsContact C-N 3.33Å; A374-Q376 PolarHBondContact O-N 3.25Å; Q376-H379 PolarHBondContact O-N 3.19Å; Q376-V380 WeakPolarHBondContact O-CG2 3.48Å; Q376-V380 PolarHBondContact O-N 3.09Å
377K95.2Very high96.1Very high112 Ų11289.9 Ų89.949%0.48750%0.495SS..Hα-helixtrans-64.6-39.2177.1-172.9-119.965.3-171.30111.6L373 A374 Q381L373-K377 WeakPolarHBondContact O-CB 3.31Å; L373-K377 PolarHBondContact O-N 3.1Å; A374-K377 PolarHBondContact O-N 2.84Å; A374-K377 VanDerWaalsContact O-N 3.15Å; K377-Q381 VanDerWaalsContact O-CB 3.26Å; K377-Q381 WeakPolarHBondContact O-CB 3.44Å; K377-Q381 PolarHBondContact O-N 2.97Å
378D96Very high96.2Very high85 Ų8592.4 Ų92.446%0.45550%0.501SS..Hα-helixtrans-70.3-37.6176.6-71.5-33.3000112A374 A375 Q381 A382A374-D378 PolarHBondContact O-N 3.14Å; A375-D378 PolarHBondContact O-N 2.92Å; D378-Q381 PolarHBondContact O-N 3.28Å; D378-A382 PolarHBondContact O-N 3.19Å
379H96.8Very high96.4Very high114 Ų11492.5 Ų92.553%0.52850%0.498SS..Hα-helixtrans-61.4-51.2172.4179.931.5000112A375 Q376 Q381 A382 E383A375-H379 WeakPolarHBondContact O-CB 3.37Å; A375-H379 PolarHBondContact O-N 3.15Å; Q376-H379 PolarHBondContact O-N 3.19Å; H379-Q381 PolarHBondContact O-N 2.96Å; H379-A382 WeakPolarHBondContact O-CB 3.26Å; H379-A382 PolarHBondContact O-N 3.39Å; H379-E383 IonicContact CE1-OE1 2.74Å; H379-E383 IonicContact NE2-OE1 3.63Å; H379-E383 PolarHBondContact O-N 3.42Å
380V96.9Very high96.5Very high77 Ų7793.3 Ų93.347%0.46750%0.499SS..Hα-helixtrans-61.9-33.2176.21710000111.7Q376 L384Q376-V380 WeakPolarHBondContact O-CG2 3.48Å; Q376-V380 PolarHBondContact O-N 3.09Å; V380-L384 VanDerWaalsContact O-CB 3.26Å; V380-L384 WeakPolarHBondContact O-CB 3.2Å; V380-L384 PolarHBondContact O-N 2.95Å
381Q96.7Very high96.6Very high120 Ų12089.9 Ų89.956%0.56149%0.489SS*.Hα-helixtrans-69-35.2174.3-174.8174-37.600112.3K377 D378 H379 H385K377-Q381 VanDerWaalsContact O-CB 3.26Å; K377-Q381 WeakPolarHBondContact O-CB 3.44Å; K377-Q381 PolarHBondContact O-N 2.97Å; D378-Q381 PolarHBondContact O-N 3.28Å; H379-Q381 PolarHBondContact O-N 2.96Å; Q381-H385 PolarHBondContact O-N 3.41Å
382A96.3Very high96.8Very high58 Ų5888.9 Ų88.948%0.47949%0.485SS..Hα-helixtrans-69.5-44.7173.100000112D378 H379 L384 H385 Q386D378-A382 PolarHBondContact O-N 3.19Å; H379-A382 WeakPolarHBondContact O-CB 3.26Å; H379-A382 PolarHBondContact O-N 3.39Å; A382-L384 VanDerWaalsContact C-N 3.35Å; A382-L384 PolarHBondContact O-N 2.92Å; A382-H385 WeakPolarHBondContact O-CB 3.1Å; A382-H385 PolarHBondContact O-N 3.41Å; A382-H385 VanDerWaalsContact O-N 3.14Å; A382-Q386 PolarHBondContact O-N 2.84Å
383E97.4Very high96.9Very high96 Ų9690.8 Ų90.845%0.44949%0.486SS..Hα-helixtrans-58.4-44.9173.3-68.3-176.3131.100111.6H379 H385 Q386 A387H379-E383 IonicContact CE1-OE1 2.74Å; H379-E383 IonicContact NE2-OE1 3.63Å; H379-E383 PolarHBondContact O-N 3.42Å; E383-H385 VanDerWaalsContact C-N 3.31Å; E383-H385 PolarHBondContact O-N 2.88Å; E383-Q386 PolarHBondContact O-N 3.2Å; E383-A387 WeakPolarHBondContact O-CB 3.41Å; E383-A387 PolarHBondContact O-N 2.96Å
384L97.8Very high97Very high84 Ų8491.3 Ų91.344%0.4449%0.489SS..Hα-helixtrans-63.1-35.1175.6176.460.3000112.4V380 A382 R388V380-L384 VanDerWaalsContact O-CB 3.26Å; V380-L384 WeakPolarHBondContact O-CB 3.2Å; V380-L384 PolarHBondContact O-N 2.95Å; A382-L384 VanDerWaalsContact C-N 3.35Å; A382-L384 PolarHBondContact O-N 2.92Å; L384-R388 HydrophobicContact CD1-CG 4.5Å; L384-R388 WeakPolarHBondContact O-CB 3.43Å; L384-R388 WeakPolarHBondContact O-CD 3.21Å; L384-R388 WeakPolarHBondContact O-CG 3.28Å; L384-R388 PolarHBondContact O-N 2.89Å; L384-R388 VanDerWaalsContact O-N 3.12Å
385H97.4Very high97.1Very high124 Ų12493.5 Ų93.557%0.57450%0.498SS*.Hα-helixtrans-68.5-46.3173.3-179.367.7000111.3Q381 A382 E383 A387 R388 V389Q381-H385 PolarHBondContact O-N 3.41Å; A382-H385 WeakPolarHBondContact O-CB 3.1Å; A382-H385 PolarHBondContact O-N 3.41Å; A382-H385 VanDerWaalsContact O-N 3.14Å; E383-H385 VanDerWaalsContact C-N 3.31Å; E383-H385 PolarHBondContact O-N 2.88Å; H385-A387 PolarHBondContact O-N 3.12Å; H385-R388 WeakPolarHBondContact O-CB 3.49Å; H385-R388 PolarHBondContact O-N 3.25Å; H385-R388 VanDerWaalsContact O-N 3.15Å; H385-V389 WeakPolarHBondContact O-CG2 3.47Å; H385-V389 PolarHBondContact O-N 3.24Å
386Q98.1Very high97.3Very high113 Ų11395 Ų9553%0.52850%0.496SS..Hα-helixtrans-58.8-45.8176.7-173.9177.59.200111.7A382 E383 R388 V389 Q390A382-Q386 PolarHBondContact O-N 2.84Å; E383-Q386 PolarHBondContact O-N 3.2Å; Q386-R388 VanDerWaalsContact C-N 3.32Å; Q386-R388 PolarHBondContact O-N 3.46Å; Q386-V389 PolarHBondContact O-N 3.09Å; Q386-Q390 WeakPolarHBondContact O-CB 3.24Å; Q386-Q390 WeakPolarHBondContact O-CG 3.41Å; Q386-Q390 PolarHBondContact O-N 3.38Å
387A97.1Very high97.4Very high49 Ų4994.2 Ų94.241%0.40549%0.493SS..Hα-helixtrans-62.3-36.5175.900000112.6E383 H385 A391E383-A387 WeakPolarHBondContact O-CB 3.41Å; E383-A387 PolarHBondContact O-N 2.96Å; H385-A387 PolarHBondContact O-N 3.12Å; A387-A391 VanDerWaalsContact O-CB 3.29Å; A387-A391 WeakPolarHBondContact O-CB 3.32Å; A387-A391 PolarHBondContact O-N 3.4Å
388R97.9Very high97.5Very high164 Ų16494.4 Ų94.462%0.61950%0.499SS*.Hα-helixtrans-67.3-41.1173.6-75.9168177.4-176.5-0.3112.4L384 H385 Q386 A391 A392L384-R388 HydrophobicContact CD1-CG 4.5Å; L384-R388 WeakPolarHBondContact O-CB 3.43Å; L384-R388 WeakPolarHBondContact O-CD 3.21Å; L384-R388 WeakPolarHBondContact O-CG 3.28Å; L384-R388 PolarHBondContact O-N 2.89Å; L384-R388 VanDerWaalsContact O-N 3.12Å; H385-R388 WeakPolarHBondContact O-CB 3.49Å; H385-R388 PolarHBondContact O-N 3.25Å; H385-R388 VanDerWaalsContact O-N 3.15Å; Q386-R388 VanDerWaalsContact C-N 3.32Å; Q386-R388 PolarHBondContact O-N 3.46Å; R388-A391 PolarHBondContact O-N 3.28Å; R388-A392 WeakPolarHBondContact O-CB 3.44Å; R388-A392 PolarHBondContact O-N 2.86Å
389V97.9Very high97.5Very high75 Ų7592.7 Ų92.746%0.45550%0.496SS..Hα-helixtrans-65-44.7175.71730000110.5H385 Q386 A391 A392 Q393H385-V389 WeakPolarHBondContact O-CG2 3.47Å; H385-V389 PolarHBondContact O-N 3.24Å; Q386-V389 PolarHBondContact O-N 3.09Å; V389-A391 PolarHBondContact O-N 3.41Å; V389-A392 PolarHBondContact O-N 3.4Å; V389-Q393 WeakPolarHBondContact O-CB 3.5Å; V389-Q393 PolarHBondContact O-N 2.81Å
390Q98Very high97.6Very high105 Ų10591.7 Ų91.749%0.49150%0.495SS..Hα-helixtrans-61.5-43.1174.8-72.2171.2-12.100112.2Q386 A392 Q393 L394Q386-Q390 WeakPolarHBondContact O-CB 3.24Å; Q386-Q390 WeakPolarHBondContact O-CG 3.41Å; Q386-Q390 PolarHBondContact O-N 3.38Å; Q390-A392 VanDerWaalsContact C-N 3.35Å; Q390-A392 PolarHBondContact O-N 2.84Å; Q390-Q393 PolarHBondContact O-N 3.35Å; Q390-L394 WeakPolarHBondContact O-CB 3.26Å; Q390-L394 WeakPolarHBondContact O-CG 3.32Å; Q390-L394 PolarHBondContact O-N 2.86Å
391A97.4Very high97.6Very high50 Ų5090.5 Ų90.541%0.41349%0.493SS..Hα-helixtrans-63.4-38.6175.400000112.5A387 R388 V389 T395A387-A391 VanDerWaalsContact O-CB 3.29Å; A387-A391 WeakPolarHBondContact O-CB 3.32Å; A387-A391 PolarHBondContact O-N 3.4Å; R388-A391 PolarHBondContact O-N 3.28Å; V389-A391 PolarHBondContact O-N 3.41Å; A391-T395 WeakPolarHBondContact O-CB 2.89Å; A391-T395 PolarHBondContact O-N 2.89Å; A391-T395 PolarHBondContact O-OG1 3.5Å
392A97.8Very high97.7Very high51 Ų5186.9 Ų86.942%0.42148%0.481SS..Hα-helixtrans-65.5-44.6173.700000111.8R388 V389 Q390 L394 T395 I396R388-A392 WeakPolarHBondContact O-CB 3.44Å; R388-A392 PolarHBondContact O-N 2.86Å; V389-A392 PolarHBondContact O-N 3.4Å; Q390-A392 VanDerWaalsContact C-N 3.35Å; Q390-A392 PolarHBondContact O-N 2.84Å; A392-L394 PolarHBondContact O-N 3.36Å; A392-T395 WeakPolarHBondContact O-CB 3.43Å; A392-T395 PolarHBondContact O-N 2.9Å; A392-T395 VanDerWaalsContact O-N 3.14Å; A392-I396 WeakPolarHBondContact O-CG1 3.38Å; A392-I396 PolarHBondContact O-N 3.16Å
393Q98.2Very high97.8Very high105 Ų10588 Ų8849%0.49148%0.478SS..Hα-helixtrans-57.7-47.5176.3-166.371.831.600111.7V389 Q390 T395 I396 Q397V389-Q393 WeakPolarHBondContact O-CB 3.5Å; V389-Q393 PolarHBondContact O-N 2.81Å; Q390-Q393 PolarHBondContact O-N 3.35Å; Q393-T395 VanDerWaalsContact C-N 3.32Å; Q393-T395 PolarHBondContact O-N 3.3Å; Q393-I396 PolarHBondContact O-N 2.92Å; Q393-Q397 WeakPolarHBondContact O-CG 3.4Å; Q393-Q397 PolarHBondContact O-N 3.16Å
394L98Very high97.8Very high109 Ų10986.1 Ų86.157%0.57148%0.478SS*.Hα-helixtrans-65.6-33.6176.4-70.6168.6000112.3Q390 A392 L398Q390-L394 WeakPolarHBondContact O-CB 3.26Å; Q390-L394 WeakPolarHBondContact O-CG 3.32Å; Q390-L394 PolarHBondContact O-N 2.86Å; A392-L394 PolarHBondContact O-N 3.36Å; L394-L398 VanDerWaalsContact O-CB 3.28Å; L394-L398 WeakPolarHBondContact O-CB 3.41Å; L394-L398 PolarHBondContact O-N 3.17Å
395T98.1Very high97.8Very high92 Ų9287.2 Ų87.256%0.56448%0.484SS*.Hα-helixtrans-67.2-39.5175.8-58.60000111.5A391 A392 Q393 A399A391-T395 WeakPolarHBondContact O-CB 2.89Å; A391-T395 PolarHBondContact O-N 2.89Å; A391-T395 PolarHBondContact O-OG1 3.5Å; A392-T395 WeakPolarHBondContact O-CB 3.43Å; A392-T395 PolarHBondContact O-N 2.9Å; A392-T395 VanDerWaalsContact O-N 3.14Å; Q393-T395 VanDerWaalsContact C-N 3.32Å; Q393-T395 PolarHBondContact O-N 3.3Å; T395-A399 WeakPolarHBondContact O-CB 3.41Å; T395-A399 PolarHBondContact O-N 2.92Å
396I98Very high97.8Very high92 Ų9287 Ų8747%0.47248%0.478SS..Hα-helixtrans-64.6-52.1173.9-66.4164.5000109.8A392 Q393 L398 A399 D400A392-I396 WeakPolarHBondContact O-CG1 3.38Å; A392-I396 PolarHBondContact O-N 3.16Å; Q393-I396 PolarHBondContact O-N 2.92Å; I396-L398 VanDerWaalsContact C-N 3.26Å; I396-L398 PolarHBondContact O-N 3.34Å; I396-A399 CarbonylContact O-C 3.54Å; I396-A399 WeakPolarHBondContact O-CA 3.4Å; I396-A399 WeakPolarHBondContact O-CB 3.38Å; I396-A399 PolarHBondContact O-N 3.05Å; I396-D400 WeakPolarHBondContact CG2-OD2 3.42Å; I396-D400 VanDerWaalsContact O-CG 3.28Å; I396-D400 PolarHBondContact O-N 3.25Å
397Q98Very high97.8Very high103 Ų10386.2 Ų86.248%0.48147%0.474SS..Hα-helixtrans-57.3-37.5177.8-71.5174.1-19.300113.1Q393 A401Q393-Q397 WeakPolarHBondContact O-CG 3.4Å; Q393-Q397 PolarHBondContact O-N 3.16Å; Q397-A401 WeakPolarHBondContact O-CB 3.34Å; Q397-A401 PolarHBondContact O-N 3.41Å
398L97.8Very high97.8Very high117 Ų11785.9 Ų85.961%0.61348%0.475SS*.Hα-helixtrans-67.9-36.9174.1-179.462.6000112.3L394 I396 S402L394-L398 VanDerWaalsContact O-CB 3.28Å; L394-L398 WeakPolarHBondContact O-CB 3.41Å; L394-L398 PolarHBondContact O-N 3.17Å; I396-L398 VanDerWaalsContact C-N 3.26Å; I396-L398 PolarHBondContact O-N 3.34Å; L398-S402 WeakPolarHBondContact O-CB 3.37Å; L398-S402 PolarHBondContact O-N 2.83Å; L398-S402 PolarHBondContact O-OG 3.12Å
399A97.1Very high97.8Very high48 Ų4885.5 Ų85.540%0.39747%0.474SS..Hα-helixtrans-66.3-45.9174.300000111.2T395 I396 S402 M403T395-A399 WeakPolarHBondContact O-CB 3.41Å; T395-A399 PolarHBondContact O-N 2.92Å; I396-A399 CarbonylContact O-C 3.54Å; I396-A399 WeakPolarHBondContact O-CA 3.4Å; I396-A399 WeakPolarHBondContact O-CB 3.38Å; I396-A399 PolarHBondContact O-N 3.05Å; A399-S402 CarbonylContact O-C 3.55Å; A399-S402 WeakPolarHBondContact O-CA 3.41Å; A399-S402 WeakPolarHBondContact O-CB 3.43Å; A399-S402 PolarHBondContact O-N 3.29Å; A399-S402 VanDerWaalsContact O-N 3.1Å; A399-M403 WeakPolarHBondContact O-CG 3.44Å; A399-M403 PolarHBondContact O-N 3.36Å
400D97.8Very high97.7Very high93 Ų9384.5 Ų84.550%0.49747%0.474SS..Hα-helixtrans-62.1-48.4178.7-60.5-27.9000111.4I396 S402 M403 A404I396-D400 WeakPolarHBondContact CG2-OD2 3.42Å; I396-D400 VanDerWaalsContact O-CG 3.28Å; I396-D400 PolarHBondContact O-N 3.25Å; D400-S402 PolarHBondContact O-N 2.85Å; D400-M403 WeakPolarHBondContact O-CB 3.47Å; D400-M403 PolarHBondContact O-N 2.92Å; D400-M403 VanDerWaalsContact O-N 3.07Å; D400-A404 PolarHBondContact O-N 3.24Å
401A97.6Very high97.7Very high52 Ų5283.9 Ų83.943%0.4347%0.474SS..Hα-helixtrans-59.7-35.6173.100000112Q397 L405Q397-A401 WeakPolarHBondContact O-CB 3.34Å; Q397-A401 PolarHBondContact O-N 3.41Å; A401-L405 WeakPolarHBondContact O-CB 3.35Å; A401-L405 VanDerWaalsContact O-CG 3.25Å; A401-L405 WeakPolarHBondContact O-CG 3.49Å; A401-L405 PolarHBondContact O-N 3.04Å
402S98Very high97.7Very high45 Ų4590 Ų9032%0.31549%0.486SS..Hα-helixtrans-73.1-27.3175.6-62.30000113.6L398 A399 D400 R406L398-S402 WeakPolarHBondContact O-CB 3.37Å; L398-S402 PolarHBondContact O-N 2.83Å; L398-S402 PolarHBondContact O-OG 3.12Å; A399-S402 CarbonylContact O-C 3.55Å; A399-S402 WeakPolarHBondContact O-CA 3.41Å; A399-S402 WeakPolarHBondContact O-CB 3.43Å; A399-S402 PolarHBondContact O-N 3.29Å; A399-S402 VanDerWaalsContact O-N 3.1Å; D400-S402 PolarHBondContact O-N 2.85Å; S402-R406 WeakPolarHBondContact O-CG 3.5Å; S402-R406 PolarHBondContact O-N 2.88Å; S402-R406 PolarHBondContact O-NE 2.85Å; S402-R406 VanDerWaalsContact O-NE 3.1Å; S402-R406 PolarHBondContact O-NH2 2.91Å
403M97.8Very high97.6Very high82 Ų8289.5 Ų89.540%0.40448%0.482SS..Hα-helixtrans-68.9-55.6170.2-70.8-64-57.700109.7A399 D400 L405 R406 E407A399-M403 WeakPolarHBondContact O-CG 3.44Å; A399-M403 PolarHBondContact O-N 3.36Å; D400-M403 WeakPolarHBondContact O-CB 3.47Å; D400-M403 PolarHBondContact O-N 2.92Å; D400-M403 VanDerWaalsContact O-N 3.07Å; M403-L405 VanDerWaalsContact C-N 3.29Å; M403-L405 PolarHBondContact O-N 3.44Å; M403-R406 CarbonylContact O-C 3.58Å; M403-R406 WeakPolarHBondContact O-CA 3.48Å; M403-R406 WeakPolarHBondContact O-CB 3.33Å; M403-R406 PolarHBondContact O-N 3.15Å; M403-R406 PolarHBondContact SD-NH1 3.22Å; M403-R406 PolarHBondContact SD-NH2 2.83Å; M403-E407 WeakPolarHBondContact CE-OE1 3.32Å; M403-E407 PolarHBondContact O-N 3.13Å
404A97.7Very high97.6Very high56 Ų5691 Ų9146%0.46349%0.489SS..Hα-helixtrans-56.5-40.1179.200000112.6D400 R406 E407 G408D400-A404 PolarHBondContact O-N 3.24Å; A404-R406 VanDerWaalsContact C-N 3.3Å; A404-R406 PolarHBondContact O-N 2.98Å; A404-E407 PolarHBondContact O-N 2.78Å; A404-G408 PolarHBondContact O-N 2.89Å
405L97.2Very high97.5Very high107 Ų10789.5 Ų89.556%0.5648%0.482SS*.Hα-helixtrans-69-21.9174.2-75.5171.8000114.2A401 M403 R409A401-L405 WeakPolarHBondContact O-CB 3.35Å; A401-L405 VanDerWaalsContact O-CG 3.25Å; A401-L405 WeakPolarHBondContact O-CG 3.49Å; A401-L405 PolarHBondContact O-N 3.04Å; M403-L405 VanDerWaalsContact C-N 3.29Å; M403-L405 PolarHBondContact O-N 3.44Å; L405-R409 WeakPolarHBondContact O-CG 3.26Å; L405-R409 PolarHBondContact O-NE 3.02Å; L405-R409 PolarHBondContact O-NH2 3.29Å
406R97.7Very high97.5Very high120 Ų12091.6 Ų91.645%0.45348%0.479SS..Hα-helixtrans-84.7-40.2172.1-82.9-178.6-81.895.2-1.1111.5S402 M403 A404 R409 A410S402-R406 WeakPolarHBondContact O-CG 3.5Å; S402-R406 PolarHBondContact O-N 2.88Å; S402-R406 PolarHBondContact O-NE 2.85Å; S402-R406 VanDerWaalsContact O-NE 3.1Å; S402-R406 PolarHBondContact O-NH2 2.91Å; M403-R406 CarbonylContact O-C 3.58Å; M403-R406 WeakPolarHBondContact O-CA 3.48Å; M403-R406 WeakPolarHBondContact O-CB 3.33Å; M403-R406 PolarHBondContact O-N 3.15Å; M403-R406 PolarHBondContact SD-NH1 3.22Å; M403-R406 PolarHBondContact SD-NH2 2.83Å; A404-R406 VanDerWaalsContact C-N 3.3Å; A404-R406 PolarHBondContact O-N 2.98Å; R406-R409 PolarHBondContact O-N 2.96Å; R406-A410 WeakPolarHBondContact O-CB 3.41Å; R406-A410 PolarHBondContact O-N 3.23Å
407E97.9Very high97.4Very high96 Ų9691.6 Ų91.645%0.44948%0.477SS..Hα-helixtrans-63-49.8174.9-72.6154.4-160.900111.2M403 A404 R409 A410 N411M403-E407 WeakPolarHBondContact CE-OE1 3.32Å; M403-E407 PolarHBondContact O-N 3.13Å; A404-E407 PolarHBondContact O-N 2.78Å; E407-R409 VanDerWaalsContact C-N 3.25Å; E407-R409 PolarHBondContact O-N 2.88Å; E407-A410 WeakPolarHBondContact O-CB 3.48Å; E407-A410 PolarHBondContact O-N 3.24Å; E407-N411 VanDerWaalsContact O-CG 3.26Å; E407-N411 PolarHBondContact O-N 2.98Å; E407-N411 PolarHBondContact O-OD1 3.46Å
408G97.6Very high97.4Very high41 Ų4189.7 Ų89.742%0.42348%0.476SS..Hα-helixtrans-58.3-34.5174.900000113.6A404 W412A404-G408 PolarHBondContact O-N 2.89Å; G408-W412 VanDerWaalsContact O-CB 3.29Å; G408-W412 WeakPolarHBondContact O-CB 3.45Å; G408-W412 PolarHBondContact O-N 2.78Å
409R97.8Very high97.3Very high156 Ų15689.9 Ų89.959%0.58948%0.476SS*.Hα-helixtrans-73.4-33172.9-77.3-170.6-62-107.7-1113.4L405 R406 E407 A413L405-R409 WeakPolarHBondContact O-CG 3.26Å; L405-R409 PolarHBondContact O-NE 3.02Å; L405-R409 PolarHBondContact O-NH2 3.29Å; R406-R409 PolarHBondContact O-N 2.96Å; E407-R409 VanDerWaalsContact C-N 3.25Å; E407-R409 PolarHBondContact O-N 2.88Å; R409-A413 WeakPolarHBondContact O-CB 3.26Å; R409-A413 PolarHBondContact O-N 3.21Å; R409-A413 VanDerWaalsContact O-N 3.1Å
410A96.9Very high97.3Very high55 Ų5591.6 Ų91.646%0.45548%0.476SS..Hα-helixtrans-69.7-47.4175.400000110.8R406 E407 A413 Q414R406-A410 WeakPolarHBondContact O-CB 3.41Å; R406-A410 PolarHBondContact O-N 3.23Å; E407-A410 WeakPolarHBondContact O-CB 3.48Å; E407-A410 PolarHBondContact O-N 3.24Å; A410-A413 WeakPolarHBondContact O-CB 3.46Å; A410-A413 PolarHBondContact O-N 3.04Å; A410-A413 VanDerWaalsContact O-N 3.16Å; A410-Q414 PolarHBondContact O-N 2.66Å
411N97.6Very high97.3Very high92 Ų9291.2 Ų91.249%0.49247%0.474SS..Hα-helixtrans-57.8-51.8175.5-62.8-0000110.3E407 A413 Q414 D415E407-N411 VanDerWaalsContact O-CG 3.26Å; E407-N411 PolarHBondContact O-N 2.98Å; E407-N411 PolarHBondContact O-OD1 3.46Å; N411-A413 VanDerWaalsContact C-N 3.27Å; N411-A413 PolarHBondContact O-N 3.06Å; N411-Q414 CarbonylContact O-C 3.57Å; N411-Q414 WeakPolarHBondContact O-CA 3.29Å; N411-Q414 WeakPolarHBondContact O-CB 3.29Å; N411-Q414 PolarHBondContact O-N 3.12Å; N411-D415 VanDerWaalsContact O-CG 3.24Å; N411-D415 PolarHBondContact O-N 2.63Å
412W96.9Very high97.2Very high177 Ų17791.1 Ų91.167%0.6747%0.473SS*.Hα-helixtrans-58.6-35176.4-179.2-105.5000113.8G408 R416G408-W412 VanDerWaalsContact O-CB 3.29Å; G408-W412 WeakPolarHBondContact O-CB 3.45Å; G408-W412 PolarHBondContact O-N 2.78Å; W412-R416 VanDerWaalsContact O-CB 3.24Å; W412-R416 WeakPolarHBondContact O-CB 3.2Å; W412-R416 PolarHBondContact O-N 2.91Å
413A96.8Very high97.1Very high41 Ų4191.8 Ų91.834%0.33948%0.482SS..Hα-helixtrans-69.7-37.3175.100000112.4R409 A410 N411 Q417R409-A413 WeakPolarHBondContact O-CB 3.26Å; R409-A413 PolarHBondContact O-N 3.21Å; R409-A413 VanDerWaalsContact O-N 3.1Å; A410-A413 WeakPolarHBondContact O-CB 3.46Å; A410-A413 PolarHBondContact O-N 3.04Å; A410-A413 VanDerWaalsContact O-N 3.16Å; N411-A413 VanDerWaalsContact C-N 3.27Å; N411-A413 PolarHBondContact O-N 3.06Å; A413-Q417 PolarHBondContact O-N 3.45Å; A413-Q417 VanDerWaalsContact O-N 3.15Å
414Q97.6Very high97Very high137 Ų13793.2 Ų93.264%0.6449%0.488SS*.Hα-helixtrans-68.9-46.2174.5175.8175.6-31.900111.8A410 N411 R416 Q417 S418A410-Q414 PolarHBondContact O-N 2.66Å; N411-Q414 CarbonylContact O-C 3.57Å; N411-Q414 WeakPolarHBondContact O-CA 3.29Å; N411-Q414 WeakPolarHBondContact O-CB 3.29Å; N411-Q414 PolarHBondContact O-N 3.12Å; Q414-R416 VanDerWaalsContact C-N 3.35Å; Q414-R416 PolarHBondContact O-N 2.92Å; Q414-Q417 PolarHBondContact O-N 2.97Å; Q414-Q417 VanDerWaalsContact O-N 3.12Å; Q414-S418 PolarHBondContact O-N 3.46Å
415D96.6Very high97Very high77 Ų7795.6 Ų95.641%0.41249%0.492SS..Hα-helixtrans-62.7-41.7177.8-63.8-28.8000111.2N411 Q417 S418 L419N411-D415 VanDerWaalsContact O-CG 3.24Å; N411-D415 PolarHBondContact O-N 2.63Å; D415-Q417 VanDerWaalsContact C-N 3.32Å; D415-Q417 PolarHBondContact O-N 3.17Å; D415-S418 PolarHBondContact O-N 3.39Å; D415-S418 PolarHBondContact O-OG 2.9Å; D415-L419 WeakPolarHBondContact O-CB 3.41Å; D415-L419 VanDerWaalsContact O-CG 3.26Å; D415-L419 WeakPolarHBondContact O-CG 3.49Å; D415-L419 PolarHBondContact O-N 3.42Å
416R96.9Very high96.9Very high137 Ų13795.1 Ų95.152%0.51749%0.49SS..Hα-helixtrans-61.1-41.3172.7-174.1-171.965.5-173.1-5.2111.7W412 Q414 Q420W412-R416 VanDerWaalsContact O-CB 3.24Å; W412-R416 WeakPolarHBondContact O-CB 3.2Å; W412-R416 PolarHBondContact O-N 2.91Å; Q414-R416 VanDerWaalsContact C-N 3.35Å; Q414-R416 PolarHBondContact O-N 2.92Å; R416-Q420 VanDerWaalsContact O-CG 3.26Å; R416-Q420 WeakPolarHBondContact O-CG 3.46Å; R416-Q420 PolarHBondContact O-N 2.76Å; R416-Q420 PolarHBondContact O-OE1 3.32Å
417Q96.8Very high96.9Very high92 Ų9294.7 Ų94.743%0.4349%0.493SS..Hα-helixtrans-69.1-38.5177.9-17065.962.800111.9A413 Q414 D415 Q420 N421A413-Q417 PolarHBondContact O-N 3.45Å; A413-Q417 VanDerWaalsContact O-N 3.15Å; Q414-Q417 PolarHBondContact O-N 2.97Å; Q414-Q417 VanDerWaalsContact O-N 3.12Å; D415-Q417 VanDerWaalsContact C-N 3.32Å; D415-Q417 PolarHBondContact O-N 3.17Å; Q417-Q420 PolarHBondContact O-N 2.83Å; Q417-N421 PolarHBondContact NE2-OD1 2.93Å; Q417-N421 PolarHBondContact O-N 3.25Å; Q417-N421 PolarHBondContact O-OD1 2.91Å
418S96.9Very high96.9Very high63 Ų6395.7 Ų95.744%0.44150%0.498SS..Hα-helixtrans-66.5-38.9176.971.10000111.7Q414 D415 N421 A422Q414-S418 PolarHBondContact O-N 3.46Å; D415-S418 PolarHBondContact O-N 3.39Å; D415-S418 PolarHBondContact O-OG 2.9Å; S418-N421 PolarHBondContact O-N 3.29Å; S418-A422 WeakPolarHBondContact O-CB 3.3Å; S418-A422 PolarHBondContact O-N 2.85Å
419L96.7Very high96.9Very high120 Ų12098.1 Ų98.163%0.62850%0.498SS*.Hα-helixtrans-64.6-38.2171.8-71169.4000112.7D415 A423D415-L419 WeakPolarHBondContact O-CB 3.41Å; D415-L419 VanDerWaalsContact O-CG 3.26Å; D415-L419 WeakPolarHBondContact O-CG 3.49Å; D415-L419 PolarHBondContact O-N 3.42Å; L419-A423 WeakPolarHBondContact O-CB 3.31Å; L419-A423 PolarHBondContact O-N 3.33Å
420Q96.5Very high96.9Very high85 Ų8596.2 Ų96.240%0.39750%0.499SS..Hα-helixtrans-64.3-50.8173.9-74.7175.3-7100111.2R416 Q417 A422 A423 E424R416-Q420 VanDerWaalsContact O-CG 3.26Å; R416-Q420 WeakPolarHBondContact O-CG 3.46Å; R416-Q420 PolarHBondContact O-N 2.76Å; R416-Q420 PolarHBondContact O-OE1 3.32Å; Q417-Q420 PolarHBondContact O-N 2.83Å; Q420-A422 VanDerWaalsContact C-N 3.26Å; Q420-A422 PolarHBondContact O-N 2.88Å; Q420-A423 PolarHBondContact O-N 3.18Å; Q420-A423 VanDerWaalsContact O-N 3.16Å; Q420-E424 WeakPolarHBondContact O-CG 3.19Å; Q420-E424 PolarHBondContact O-N 3.21Å
421N97.1Very high96.9Very high84 Ų8498.9 Ų98.945%0.44950%0.502SS..Hα-helixtrans-59.8-35.9177.7-63.811.4000112.2Q417 S418 L425Q417-N421 PolarHBondContact NE2-OD1 2.93Å; Q417-N421 PolarHBondContact O-N 3.25Å; Q417-N421 PolarHBondContact O-OD1 2.91Å; S418-N421 PolarHBondContact O-N 3.29Å; N421-L425 WeakPolarHBondContact O-CB 3.42Å; N421-L425 PolarHBondContact O-N 3.35Å; N421-L425 VanDerWaalsContact O-N 3.1Å
422A96.4Very high96.9Very high50 Ų50100.7 Ų100.741%0.41350%0.502SS..Hα-helixtrans-67.9-45175.700000112S418 Q420 E424 L425 D426S418-A422 WeakPolarHBondContact O-CB 3.3Å; S418-A422 PolarHBondContact O-N 2.85Å; Q420-A422 VanDerWaalsContact C-N 3.26Å; Q420-A422 PolarHBondContact O-N 2.88Å; A422-E424 VanDerWaalsContact C-N 3.33Å; A422-E424 PolarHBondContact O-N 3.17Å; A422-L425 PolarHBondContact O-N 3.1Å; A422-D426 PolarHBondContact O-N 3.26Å
423A95.4Very high97Very high60 Ų6096.1 Ų96.150%0.49649%0.49SS..Hα-helixtrans-64.7-35.9176.900000112.6L419 Q420 Q427L419-A423 WeakPolarHBondContact O-CB 3.31Å; L419-A423 PolarHBondContact O-N 3.33Å; Q420-A423 PolarHBondContact O-N 3.18Å; Q420-A423 VanDerWaalsContact O-N 3.16Å; A423-Q427 WeakPolarHBondContact O-CB 3.48Å; A423-Q427 PolarHBondContact O-N 3.03Å
424E96.8Very high97Very high112 Ų11298.1 Ų98.152%0.52350%0.495SS..Hα-helixtrans-63.2-45.5172.5-73.1169.3-175.700111.3Q420 A422 Q427 E428Q420-E424 WeakPolarHBondContact O-CG 3.19Å; Q420-E424 PolarHBondContact O-N 3.21Å; A422-E424 VanDerWaalsContact C-N 3.33Å; A422-E424 PolarHBondContact O-N 3.17Å; E424-Q427 WeakPolarHBondContact O-CB 3.39Å; E424-Q427 PolarHBondContact O-N 2.97Å; E424-E428 PolarHBondContact O-N 3.29Å
425L97.8Very high97Very high106 Ų10693.2 Ų93.256%0.55548%0.478SS*.Hα-helixtrans-68-36178.3-173.5142.7000113N421 A422 E428 H429N421-L425 WeakPolarHBondContact O-CB 3.42Å; N421-L425 PolarHBondContact O-N 3.35Å; N421-L425 VanDerWaalsContact O-N 3.1Å; A422-L425 PolarHBondContact O-N 3.1Å; L425-E428 PolarHBondContact O-N 2.94Å; L425-H429 WeakPolarHBondContact O-CB 3.18Å; L425-H429 PolarHBondContact O-N 3.19Å
426D95Very high97.1Very high96 Ų9695.3 Ų95.351%0.51349%0.485SS..Hα-helixtrans-65.6-39.1170.6-85.7-23.7000111.5A422 H429 L430A422-D426 PolarHBondContact O-N 3.26Å; D426-H429 PolarHBondContact O-N 2.91Å; D426-L430 WeakPolarHBondContact O-CG 3.47Å; D426-L430 PolarHBondContact O-N 2.87Å
427Q97.4Very high97.1Very high112 Ų11293.2 Ų93.252%0.52348%0.484SS..Hα-helixtrans-62.6-48.4173-177.3179.9-32.100111.2A423 E424 H429 L430 E431A423-Q427 WeakPolarHBondContact O-CB 3.48Å; A423-Q427 PolarHBondContact O-N 3.03Å; E424-Q427 WeakPolarHBondContact O-CB 3.39Å; E424-Q427 PolarHBondContact O-N 2.97Å; Q427-H429 PolarHBondContact O-N 2.96Å; Q427-L430 PolarHBondContact O-N 3.43Å; Q427-L430 VanDerWaalsContact O-N 3.16Å; Q427-E431 HydrophobicContact CG-CG 4.41Å; Q427-E431 WeakPolarHBondContact CG-OE1 3.37Å; Q427-E431 PolarHBondContact NE2-OE1 3.19Å; Q427-E431 WeakPolarHBondContact O-CG 3.44Å; Q427-E431 PolarHBondContact O-N 2.97Å
428E97.6Very high97.1Very high117 Ų11793.3 Ų93.355%0.54748%0.484SS..Hα-helixtrans-57.2-34.8174.9-72.6-172.4170.300112.4E424 L425 R432E424-E428 PolarHBondContact O-N 3.29Å; L425-E428 PolarHBondContact O-N 2.94Å; E428-R432 WeakPolarHBondContact O-CG 3.46Å; E428-R432 PolarHBondContact O-N 2.93Å; E428-R432 VanDerWaalsContact O-N 3.13Å; E428-R432 PolarHBondContact O-NE 3.27Å; E428-R432 IonicContact OE2-NH2 3.53Å
429H97.7Very high97.2Very high91 Ų9195.8 Ų95.842%0.42149%0.487SS..Hα-helixtrans-72.1-42.7177.3-177.7-135.2000111.8L425 D426 Q427 R432 L433L425-H429 WeakPolarHBondContact O-CB 3.18Å; L425-H429 PolarHBondContact O-N 3.19Å; D426-H429 PolarHBondContact O-N 2.91Å; Q427-H429 PolarHBondContact O-N 2.96Å; H429-R432 PolarHBondContact O-N 2.96Å; H429-L433 WeakPolarHBondContact O-CG 3.26Å; H429-L433 PolarHBondContact O-N 3.32Å
430L97.3Very high97.2Very high116 Ų11695.8 Ų95.861%0.60749%0.485SS*.Hα-helixtrans-62.9-39.9173.5-72.5170.4000112.4D426 Q427 L433 N434D426-L430 WeakPolarHBondContact O-CG 3.47Å; D426-L430 PolarHBondContact O-N 2.87Å; Q427-L430 PolarHBondContact O-N 3.43Å; Q427-L430 VanDerWaalsContact O-N 3.16Å; L430-L433 PolarHBondContact O-N 3.03Å; L430-N434 VanDerWaalsContact O-CB 3.31Å; L430-N434 WeakPolarHBondContact O-CB 3.43Å; L430-N434 PolarHBondContact O-N 3.42Å
431E97.5Very high97.2Very high111 Ų11195.7 Ų95.752%0.51949%0.485SS..Hα-helixtrans-64.9-41.7176.1-74.4-179-163.500112Q427 N434 A435Q427-E431 HydrophobicContact CG-CG 4.41Å; Q427-E431 WeakPolarHBondContact CG-OE1 3.37Å; Q427-E431 PolarHBondContact NE2-OE1 3.19Å; Q427-E431 WeakPolarHBondContact O-CG 3.44Å; Q427-E431 PolarHBondContact O-N 2.97Å; E431-N434 PolarHBondContact O-N 3.27Å; E431-A435 WeakPolarHBondContact O-CB 3.46Å; E431-A435 PolarHBondContact O-N 3Å
432R98.3Very high97.2Very high131 Ų13196.5 Ų96.549%0.49449%0.486SS..Hα-helixtrans-60.1-49.8172.3-79.7173.9-76.8179.3-8.3112.1E428 H429 N434 A435 E436E428-R432 WeakPolarHBondContact O-CG 3.46Å; E428-R432 PolarHBondContact O-N 2.93Å; E428-R432 VanDerWaalsContact O-N 3.13Å; E428-R432 PolarHBondContact O-NE 3.27Å; E428-R432 IonicContact OE2-NH2 3.53Å; H429-R432 PolarHBondContact O-N 2.96Å; R432-N434 VanDerWaalsContact C-N 3.31Å; R432-N434 PolarHBondContact O-N 3Å; R432-A435 PolarHBondContact O-N 3.21Å; R432-E436 PolarHBondContact O-N 3.16Å
433L97.5Very high97.2Very high80 Ų8099.4 Ų99.442%0.41949%0.486SS..Hα-helixtrans-61.1-38.9177.7-72.6171.1000112.2H429 L430 E436 L437H429-L433 WeakPolarHBondContact O-CG 3.26Å; H429-L433 PolarHBondContact O-N 3.32Å; L430-L433 PolarHBondContact O-N 3.03Å; L433-E436 PolarHBondContact O-N 2.93Å; L433-L437 VanDerWaalsContact O-CB 3.26Å; L433-L437 WeakPolarHBondContact O-CB 3.47Å; L433-L437 PolarHBondContact O-N 2.97Å
434N97.1Very high97.3Very high83 Ų83100.4 Ų100.444%0.44448%0.483SS..Hα-helixtrans-64.8-42.3175-176.743.9000111.8L430 E431 R432 L437 Q438L430-N434 VanDerWaalsContact O-CB 3.31Å; L430-N434 WeakPolarHBondContact O-CB 3.43Å; L430-N434 PolarHBondContact O-N 3.42Å; E431-N434 PolarHBondContact O-N 3.27Å; R432-N434 VanDerWaalsContact C-N 3.31Å; R432-N434 PolarHBondContact O-N 3Å; N434-L437 PolarHBondContact O-N 3.28Å; N434-Q438 VanDerWaalsContact O-CG 3.32Å; N434-Q438 WeakPolarHBondContact O-CG 3.48Å; N434-Q438 PolarHBondContact O-N 2.87Å
435A97.9Very high97.3Very high34 Ų34101.7 Ų101.728%0.28148%0.483SS..Hα-helixtrans-66.2-35.7176.100000112.9E431 R432 K439E431-A435 WeakPolarHBondContact O-CB 3.46Å; E431-A435 PolarHBondContact O-N 3Å; R432-A435 PolarHBondContact O-N 3.21Å; A435-K439 WeakPolarHBondContact O-CD 3.43Å; A435-K439 VanDerWaalsContact O-CG 3.26Å; A435-K439 WeakPolarHBondContact O-CG 3.46Å; A435-K439 PolarHBondContact O-N 3.06Å; A435-K439 VanDerWaalsContact O-N 3.16Å
436E98Very high97.3Very high121 Ų121102.4 Ų102.457%0.56548%0.483SS*.Hα-helixtrans-67.3-41.6171.7-73.1-176.5-176.200112.2R432 L433 K439 M440R432-E436 PolarHBondContact O-N 3.16Å; L433-E436 PolarHBondContact O-N 2.93Å; E436-K439 PolarHBondContact O-N 2.69Å; E436-M440 WeakPolarHBondContact O-CG 3.35Å; E436-M440 PolarHBondContact O-N 2.65Å
437L97.2Very high97.3Very high93 Ų93103.9 Ų103.949%0.48749%0.487SS..Hα-helixtrans-64.6-40176.8-175152.7000111.6L433 N434 M440 Q441L433-L437 VanDerWaalsContact O-CB 3.26Å; L433-L437 WeakPolarHBondContact O-CB 3.47Å; L433-L437 PolarHBondContact O-N 2.97Å; N434-L437 PolarHBondContact O-N 3.28Å; L437-M440 PolarHBondContact O-N 2.78Å; L437-Q441 HydrophobicContact CD2-CG 4.25Å; L437-Q441 VanDerWaalsContact CD2-NE2 3.33Å; L437-Q441 WeakPolarHBondContact O-CG 3.41Å; L437-Q441 PolarHBondContact O-N 3.26Å
438Q97.3Very high97.3Very high95 Ų95104.4 Ų104.444%0.44449%0.487SS..Hα-helixtrans-59.6-51.3172.4-75.4173.9-6.700111.3N434 M440 Q441 E442N434-Q438 VanDerWaalsContact O-CG 3.32Å; N434-Q438 WeakPolarHBondContact O-CG 3.48Å; N434-Q438 PolarHBondContact O-N 2.87Å; Q438-M440 VanDerWaalsContact C-N 3.28Å; Q438-M440 PolarHBondContact O-N 3.15Å; Q438-Q441 WeakPolarHBondContact O-CB 3.23Å; Q438-Q441 PolarHBondContact O-N 2.95Å; Q438-E442 WeakPolarHBondContact O-CG 2.94Å; Q438-E442 PolarHBondContact O-N 3.2Å
439K98.1Very high97.2Very high115 Ų115105.8 Ų105.850%0.550%0.496SS..Hα-helixtrans-59.2-35.1176.4-69.6165.6-174.7172.10113.1A435 E436 R443A435-K439 WeakPolarHBondContact O-CD 3.43Å; A435-K439 VanDerWaalsContact O-CG 3.26Å; A435-K439 WeakPolarHBondContact O-CG 3.46Å; A435-K439 PolarHBondContact O-N 3.06Å; A435-K439 VanDerWaalsContact O-N 3.16Å; E436-K439 PolarHBondContact O-N 2.69Å; K439-R443 PolarHBondContact O-N 3.38Å; K439-R443 VanDerWaalsContact O-N 3.17Å; K439-R443 PolarHBondContact O-NH1 2.96Å
440M96.8Very high97.2Very high120 Ų120105.6 Ų105.659%0.59150%0.495SS*.Hα-helixtrans-68.3-41.5172.7-78.5-67.6-164.300112.2E436 L437 Q438 E442 R443 L444E436-M440 WeakPolarHBondContact O-CG 3.35Å; E436-M440 PolarHBondContact O-N 2.65Å; L437-M440 PolarHBondContact O-N 2.78Å; Q438-M440 VanDerWaalsContact C-N 3.28Å; Q438-M440 PolarHBondContact O-N 3.15Å; M440-E442 VanDerWaalsContact C-N 3.33Å; M440-R443 PolarHBondContact SD-NH2 3.07Å; M440-L444 WeakPolarHBondContact O-CB 3.43Å; M440-L444 PolarHBondContact O-N 2.92Å
441Q96.5Very high97.2Very high83 Ų83107.7 Ų107.739%0.38850%0.495SS..Hα-helixtrans-66.6-33.6175.1-70.1-173.811.300112.7L437 Q438 R445L437-Q441 HydrophobicContact CD2-CG 4.25Å; L437-Q441 VanDerWaalsContact CD2-NE2 3.33Å; L437-Q441 WeakPolarHBondContact O-CG 3.41Å; L437-Q441 PolarHBondContact O-N 3.26Å; Q438-Q441 WeakPolarHBondContact O-CB 3.23Å; Q438-Q441 PolarHBondContact O-N 2.95Å; Q441-R445 VanDerWaalsContact CB-NH1 3.34Å; Q441-R445 VanDerWaalsContact O-CG 3.3Å; Q441-R445 WeakPolarHBondContact O-CG 3.49Å; Q441-R445 PolarHBondContact O-N 2.91Å; Q441-R445 PolarHBondContact O-NH1 3.43Å
442E97.3Very high97.2Very high100 Ų100106.5 Ų106.547%0.46750%0.495SS..Hα-helixtrans-65.2-53.7176.2-73.3165.7163.600110.9Q438 M440 L444 R445 E446Q438-E442 WeakPolarHBondContact O-CG 2.94Å; Q438-E442 PolarHBondContact O-N 3.2Å; M440-E442 VanDerWaalsContact C-N 3.33Å; E442-L444 VanDerWaalsContact C-N 3.26Å; E442-L444 PolarHBondContact O-N 2.88Å; E442-R445 WeakPolarHBondContact O-CA 3.2Å; E442-R445 WeakPolarHBondContact O-CB 3.42Å; E442-R445 PolarHBondContact O-N 3.28Å; E442-E446 WeakPolarHBondContact O-CG 3.42Å; E442-E446 PolarHBondContact O-N 3.44Å
443R97.6Very high97.2Very high111 Ų111104.4 Ų104.442%0.41949%0.489SS..Hα-helixtrans-53.2-43.1172.2-74.1-172.7-68.7-86.73.8112.6K439 M440 R445 E446 E447K439-R443 PolarHBondContact O-N 3.38Å; K439-R443 VanDerWaalsContact O-N 3.17Å; K439-R443 PolarHBondContact O-NH1 2.96Å; M440-R443 PolarHBondContact SD-NH2 3.07Å; R443-R445 PolarHBondContact O-N 3.3Å; R443-E446 WeakPolarHBondContact CA-OE2 3.33Å; R443-E446 PolarHBondContact O-N 3.27Å; R443-E446 VanDerWaalsContact O-N 3.17Å; R443-E447 WeakPolarHBondContact O-CB 3.47Å; R443-E447 WeakPolarHBondContact O-CG 3.46Å; R443-E447 PolarHBondContact O-N 3.01Å
444L97.3Very high97.1Very high82 Ų82105.4 Ų105.443%0.42950%0.495SS..Hα-helixtrans-67.2-21.2177.4-176.660.9000113.6M440 E442 K448M440-L444 WeakPolarHBondContact O-CB 3.43Å; M440-L444 PolarHBondContact O-N 2.92Å; E442-L444 VanDerWaalsContact C-N 3.26Å; E442-L444 PolarHBondContact O-N 2.88Å; L444-K448 WeakPolarHBondContact O-CD 3.42Å; L444-K448 WeakPolarHBondContact O-CG 3.45Å
445R96.8Very high97.1Very high139 Ų139106.5 Ų106.553%0.52550%0.497SS..Hα-helixtrans-80-41.3170.2-71.3168.4-171.2110.85.5110.8Q441 E442 R443 K448 M449Q441-R445 VanDerWaalsContact CB-NH1 3.34Å; Q441-R445 VanDerWaalsContact O-CG 3.3Å; Q441-R445 WeakPolarHBondContact O-CG 3.49Å; Q441-R445 PolarHBondContact O-N 2.91Å; Q441-R445 PolarHBondContact O-NH1 3.43Å; E442-R445 WeakPolarHBondContact O-CA 3.2Å; E442-R445 WeakPolarHBondContact O-CB 3.42Å; E442-R445 PolarHBondContact O-N 3.28Å; R443-R445 PolarHBondContact O-N 3.3Å; R445-K448 PolarHBondContact O-N 3.41Å; R445-M449 WeakPolarHBondContact O-CB 3.35Å; R445-M449 PolarHBondContact O-N 2.92Å
446E97.1Very high97Very high120 Ų120108.2 Ų108.256%0.56150%0.504SS*.Hα-helixtrans-62.1-50.3176.6-65.5168.4157.400111.4E442 R443 K448 M449 E450E442-E446 WeakPolarHBondContact O-CG 3.42Å; E442-E446 PolarHBondContact O-N 3.44Å; R443-E446 WeakPolarHBondContact CA-OE2 3.33Å; R443-E446 PolarHBondContact O-N 3.27Å; R443-E446 VanDerWaalsContact O-N 3.17Å; E446-K448 VanDerWaalsContact C-N 3.28Å; E446-K448 PolarHBondContact O-N 3.16Å; E446-M449 WeakPolarHBondContact O-CB 3.39Å; E446-M449 PolarHBondContact O-N 3.45Å; E446-E450 PolarHBondContact O-N 3.32Å
447E96Very high97Very high128 Ų128106.2 Ų106.260%0.59850%0.495SS*.Hα-helixtrans-56.2-39.8175-74175.3175.200112.4R443 R451R443-E447 WeakPolarHBondContact O-CB 3.47Å; R443-E447 WeakPolarHBondContact O-CG 3.46Å; R443-E447 PolarHBondContact O-N 3.01Å; E447-R451 WeakPolarHBondContact O-CB 3.44Å; E447-R451 PolarHBondContact O-N 2.87Å
448K96.9Very high96.9Very high122 Ų122105.7 Ų105.753%0.5349%0.492SS..Hα-helixtrans-68.3-37.8175.7-75.4170.9-171.5167.80112L444 R445 E446 V452L444-K448 WeakPolarHBondContact O-CD 3.42Å; L444-K448 WeakPolarHBondContact O-CG 3.45Å; R445-K448 PolarHBondContact O-N 3.41Å; E446-K448 VanDerWaalsContact C-N 3.28Å; E446-K448 PolarHBondContact O-N 3.16Å; K448-V452 WeakPolarHBondContact O-CG2 3.33Å; K448-V452 PolarHBondContact O-N 3.39Å; K448-V452 VanDerWaalsContact O-N 3.07Å
449M96.2Very high96.8Very high146 Ų146102.5 Ų102.572%0.71949%0.485SS*.Hα-helixtrans-67.4-46.7178.1-168172-168.400111.1R445 E446 V452 K453R445-M449 WeakPolarHBondContact O-CB 3.35Å; R445-M449 PolarHBondContact O-N 2.92Å; E446-M449 WeakPolarHBondContact O-CB 3.39Å; E446-M449 PolarHBondContact O-N 3.45Å; M449-V452 PolarHBondContact O-N 2.89Å; M449-K453 WeakPolarHBondContact O-CB 3.4Å; M449-K453 PolarHBondContact O-N 3.48Å
450E96.6Very high96.8Very high88 Ų88104.2 Ų104.241%0.41149%0.488SS..Hα-helixtrans-65.7-38.4175.4-76.6-64.513800112E446 V452 K453 L454E446-E450 PolarHBondContact O-N 3.32Å; E450-V452 PolarHBondContact O-N 3.04Å; E450-K453 PolarHBondContact O-N 3.4Å; E450-K453 WeakPolarHBondContact OE1-CD 3.5Å; E450-K453 IonicContact OE1-NZ 3.94Å; E450-K453 PolarHBondContact OE1-NZ 3.21Å; E450-K453 IonicContact OE2-NZ 2.8Å; E450-K453 PolarHBondContact OE2-NZ 3.46Å; E450-L454 WeakPolarHBondContact O-CB 3.48Å; E450-L454 WeakPolarHBondContact O-CG 3.23Å; E450-L454 PolarHBondContact O-N 2.91Å
451R96.6Very high96.7Very high159 Ų159104 Ų10460%0.649%0.485SS*.Hα-helixtrans-58.6-46.8171.8-164.2-154.1109.6-179.14.5111.9E447 K453 L454 E455E447-R451 WeakPolarHBondContact O-CB 3.44Å; E447-R451 PolarHBondContact O-N 2.87Å; R451-K453 VanDerWaalsContact C-N 3.33Å; R451-K453 PolarHBondContact O-N 3.41Å; R451-L454 PolarHBondContact O-N 2.93Å; R451-E455 IonicContact CZ-OE2 3.14Å; R451-E455 VanDerWaalsContact CZ-OE2 3.29Å; R451-E455 IonicContact NE-OE2 2.69Å; R451-E455 PolarHBondContact NE-OE2 3Å; R451-E455 IonicContact NH2-OE1 3.47Å; R451-E455 IonicContact NH2-OE2 2.71Å; R451-E455 PolarHBondContact NH2-OE2 3.32Å; R451-E455 VanDerWaalsContact O-CB 3.28Å; R451-E455 WeakPolarHBondContact O-CB 3.41Å; R451-E455 PolarHBondContact O-N 3.14Å
452V97.7Very high96.7Very high86 Ų86105.8 Ų105.852%0.52149%0.492SS..Hα-helixtrans-64.7-38.1179.2168.20000111.4K448 M449 E450 E455 V456K448-V452 WeakPolarHBondContact O-CG2 3.33Å; K448-V452 PolarHBondContact O-N 3.39Å; K448-V452 VanDerWaalsContact O-N 3.07Å; M449-V452 PolarHBondContact O-N 2.89Å; E450-V452 PolarHBondContact O-N 3.04Å; V452-E455 PolarHBondContact O-N 2.69Å; V452-V456 WeakPolarHBondContact O-CG2 3.35Å; V452-V456 PolarHBondContact O-N 3.05Å
453K98Very high96.7Very high87 Ų87104.8 Ų104.838%0.37849%0.49SS..Hα-helixtrans-62.8-49.4174.4170.8-179.6154.1-1380112M449 E450 R451 E455 V456 E457M449-K453 WeakPolarHBondContact O-CB 3.4Å; M449-K453 PolarHBondContact O-N 3.48Å; E450-K453 PolarHBondContact O-N 3.4Å; E450-K453 WeakPolarHBondContact OE1-CD 3.5Å; E450-K453 IonicContact OE1-NZ 3.94Å; E450-K453 PolarHBondContact OE1-NZ 3.21Å; E450-K453 IonicContact OE2-NZ 2.8Å; E450-K453 PolarHBondContact OE2-NZ 3.46Å; R451-K453 VanDerWaalsContact C-N 3.33Å; R451-K453 PolarHBondContact O-N 3.41Å; K453-E455 VanDerWaalsContact C-N 3.29Å; K453-E455 PolarHBondContact O-N 3.38Å; K453-V456 WeakPolarHBondContact O-CB 3.43Å; K453-V456 PolarHBondContact O-N 2.91Å; K453-V456 VanDerWaalsContact O-N 3.16Å; K453-E457 WeakPolarHBondContact CE-OE1 3.4Å; K453-E457 WeakPolarHBondContact CG-OE1 3.5Å; K453-E457 WeakPolarHBondContact O-CG 3.48Å; K453-E457 PolarHBondContact O-N 2.89Å
454L96.3Very high96.5Very high101 Ų101103 Ų10353%0.52949%0.493SS..Hα-helixtrans-61.5-36.1175.2-69.9171000112.2E450 R451 V456 E457 L458E450-L454 WeakPolarHBondContact O-CB 3.48Å; E450-L454 WeakPolarHBondContact O-CG 3.23Å; E450-L454 PolarHBondContact O-N 2.91Å; R451-L454 PolarHBondContact O-N 2.93Å; L454-V456 VanDerWaalsContact C-N 3.34Å; L454-E457 PolarHBondContact O-N 3.2Å; L454-L458 VanDerWaalsContact O-CB 3.23Å; L454-L458 WeakPolarHBondContact O-CB 3.28Å; L454-L458 PolarHBondContact O-N 3.43Å
455E96.6Very high96.5Very high106 Ų106102.4 Ų102.450%0.49549%0.491SS..Hα-helixtrans-66.7-34.9176.3-165.5166165.400112R451 V452 K453 G459R451-E455 IonicContact CZ-OE2 3.14Å; R451-E455 VanDerWaalsContact CZ-OE2 3.29Å; R451-E455 IonicContact NE-OE2 2.69Å; R451-E455 PolarHBondContact NE-OE2 3Å; R451-E455 IonicContact NH2-OE1 3.47Å; R451-E455 IonicContact NH2-OE2 2.71Å; R451-E455 PolarHBondContact NH2-OE2 3.32Å; R451-E455 VanDerWaalsContact O-CB 3.28Å; R451-E455 WeakPolarHBondContact O-CB 3.41Å; R451-E455 PolarHBondContact O-N 3.14Å; V452-E455 PolarHBondContact O-N 2.69Å; K453-E455 VanDerWaalsContact C-N 3.29Å; K453-E455 PolarHBondContact O-N 3.38Å; E455-G459 PolarHBondContact O-N 3.36Å; E455-G459 VanDerWaalsContact O-N 3.14Å
456V97.4Very high96.5Very high71 Ų71102.7 Ų102.743%0.4349%0.492SS..Hα-helixtrans-72.2-41.3171.2168.90000112.2V452 K453 L454 G459 R460V452-V456 WeakPolarHBondContact O-CG2 3.35Å; V452-V456 PolarHBondContact O-N 3.05Å; K453-V456 WeakPolarHBondContact O-CB 3.43Å; K453-V456 PolarHBondContact O-N 2.91Å; K453-V456 VanDerWaalsContact O-N 3.16Å; L454-V456 VanDerWaalsContact C-N 3.34Å; V456-G459 WeakPolarHBondContact O-CA 3.45Å; V456-G459 PolarHBondContact O-N 3.36Å; V456-R460 WeakPolarHBondContact O-CG 3.46Å; V456-R460 PolarHBondContact O-N 2.63Å
457E96.6Very high96.5Very high79 Ų79100.3 Ų100.337%0.36949%0.485SS..Hα-helixtrans-65.2-45.6178.4-74167.1-173.500111.3K453 L454 G459 R460 E461K453-E457 WeakPolarHBondContact CE-OE1 3.4Å; K453-E457 WeakPolarHBondContact CG-OE1 3.5Å; K453-E457 WeakPolarHBondContact O-CG 3.48Å; K453-E457 PolarHBondContact O-N 2.89Å; L454-E457 PolarHBondContact O-N 3.2Å; E457-G459 PolarHBondContact O-N 3.14Å; E457-R460 WeakPolarHBondContact O-CB 3.4Å; E457-R460 PolarHBondContact O-N 2.85Å; E457-R460 VanDerWaalsContact O-N 3.14Å; E457-E461 PolarHBondContact O-N 3.3Å
458L95.6Very high96.4Very high81 Ų8199.5 Ų99.542%0.42448%0.481SS..Hα-helixtrans-60.5-32.3171.1-178.963.6000112.5L454 K462L454-L458 VanDerWaalsContact O-CB 3.23Å; L454-L458 WeakPolarHBondContact O-CB 3.28Å; L454-L458 PolarHBondContact O-N 3.43Å; L458-K462 HydrophobicContact CG-CD 4.29Å; L458-K462 WeakPolarHBondContact O-CB 3.41Å; L458-K462 WeakPolarHBondContact O-CD 3.45Å; L458-K462 VanDerWaalsContact O-CG 3.23Å; L458-K462 WeakPolarHBondContact O-CG 3.23Å; L458-K462 PolarHBondContact O-N 3.06Å
459G96.1Very high96.3Very high28 Ų2898.3 Ų98.329%0.28948%0.48SS..Hα-helixtrans-63-50.4171.500000112.1E455 V456 E457 E461 K462 D463E455-G459 PolarHBondContact O-N 3.36Å; E455-G459 VanDerWaalsContact O-N 3.14Å; V456-G459 WeakPolarHBondContact O-CA 3.45Å; V456-G459 PolarHBondContact O-N 3.36Å; E457-G459 PolarHBondContact O-N 3.14Å; G459-E461 VanDerWaalsContact C-N 3.34Å; G459-E461 PolarHBondContact O-N 3.04Å; G459-K462 PolarHBondContact O-N 2.89Å; G459-D463 PolarHBondContact O-N 3.22Å
460R96.4Very high96.3Very high152 Ų15294.5 Ų94.557%0.57447%0.468SS*.Hα-helixtrans-60.4-41.5176.7-66.2168.9-177.4157.30.7112.1V456 E457 D463 C464V456-R460 WeakPolarHBondContact O-CG 3.46Å; V456-R460 PolarHBondContact O-N 2.63Å; E457-R460 WeakPolarHBondContact O-CB 3.4Å; E457-R460 PolarHBondContact O-N 2.85Å; E457-R460 VanDerWaalsContact O-N 3.14Å; R460-D463 WeakPolarHBondContact O-CB 3.25Å; R460-D463 PolarHBondContact O-N 3.25Å; R460-C464 PolarHBondContact O-N 3.11Å; R460-C464 PolarHBondContact O-SG 2.71Å
461E95.9Very high96.2Very high114 Ų11494.4 Ų94.453%0.53347%0.468SS..Hα-helixtrans-65.9-40.9178.3-178173.1-140.500111.9E457 G459 D463 C464 N465E457-E461 PolarHBondContact O-N 3.3Å; G459-E461 VanDerWaalsContact C-N 3.34Å; G459-E461 PolarHBondContact O-N 3.04Å; E461-D463 VanDerWaalsContact C-N 3.28Å; E461-D463 PolarHBondContact O-N 3.19Å; E461-C464 PolarHBondContact O-N 3.35Å; E461-N465 WeakPolarHBondContact CG-ND2 3.46Å; E461-N465 WeakPolarHBondContact O-CB 3.32Å; E461-N465 PolarHBondContact O-N 2.69Å; E461-N465 PolarHBondContact O-ND2 3Å
462K96.4Very high96.1Very high121 Ų12190.3 Ų90.353%0.52646%0.461SS..Hα-helixtrans-62.8-34.2171.9-74.6166.2-178.6168.10112.6L458 G459 R466L458-K462 HydrophobicContact CG-CD 4.29Å; L458-K462 WeakPolarHBondContact O-CB 3.41Å; L458-K462 WeakPolarHBondContact O-CD 3.45Å; L458-K462 VanDerWaalsContact O-CG 3.23Å; L458-K462 WeakPolarHBondContact O-CG 3.23Å; L458-K462 PolarHBondContact O-N 3.06Å; G459-K462 PolarHBondContact O-N 2.89Å; K462-R466 VanDerWaalsContact O-CB 3.32Å; K462-R466 WeakPolarHBondContact O-CB 3.39Å; K462-R466 PolarHBondContact O-N 3.32Å
463D96.2Very high96Very high79 Ų7994.2 Ų94.242%0.42247%0.466SS..Hα-helixtrans-69-45.3174.1-72.5-12.6000111.8G459 R460 E461 R466 V467G459-D463 PolarHBondContact O-N 3.22Å; R460-D463 WeakPolarHBondContact O-CB 3.25Å; R460-D463 PolarHBondContact O-N 3.25Å; E461-D463 VanDerWaalsContact C-N 3.28Å; E461-D463 PolarHBondContact O-N 3.19Å; D463-R466 VanDerWaalsContact CG-NH2 3.34Å; D463-R466 PolarHBondContact O-N 3.29Å; D463-R466 IonicContact OD1-CZ 2.87Å; D463-R466 IonicContact OD1-NH1 3.99Å; D463-R466 PolarHBondContact OD1-NH1 2.88Å; D463-R466 IonicContact OD1-NH2 2.84Å; D463-R466 PolarHBondContact OD1-NH2 2.9Å; D463-R466 IonicContact OD2-NH2 3.81Å; D463-V467 WeakPolarHBondContact O-CG2 3.39Å; D463-V467 PolarHBondContact O-N 2.92Å
464C94.7Very high96Very high73 Ų7395 Ų9549%0.49347%0.467SS..Hα-helixtrans-61.6-47.7176-64.70000111.9R460 E461 R466 V467 Q468R460-C464 PolarHBondContact O-N 3.11Å; R460-C464 PolarHBondContact O-SG 2.71Å; E461-C464 PolarHBondContact O-N 3.35Å; C464-R466 VanDerWaalsContact C-N 3.28Å; C464-R466 PolarHBondContact O-N 2.95Å; C464-V467 PolarHBondContact O-N 3.05Å; C464-V467 VanDerWaalsContact O-N 3.11Å; C464-Q468 PolarHBondContact O-N 3.42Å
465N95.6Very high95.9Very high71 Ų7194.2 Ų94.238%0.3846%0.46SS..Hα-helixtrans-59.9-37.7175.4-80.1-64.9000112E461 L469E461-N465 WeakPolarHBondContact CG-ND2 3.46Å; E461-N465 WeakPolarHBondContact O-CB 3.32Å; E461-N465 PolarHBondContact O-N 2.69Å; E461-N465 PolarHBondContact O-ND2 3Å; N465-L469 VanDerWaalsContact O-CB 3.29Å; N465-L469 WeakPolarHBondContact O-CB 3.44Å; N465-L469 VanDerWaalsContact O-CG 3.23Å; N465-L469 WeakPolarHBondContact O-CG 3.41Å; N465-L469 PolarHBondContact O-N 3.02Å
466R96.9Very high95.8Very high145 Ų14593.3 Ų93.355%0.54746%0.458SS..Hα-helixtrans-65.5-37.8175-177.3175.265.8-1033.9112.3K462 D463 C464 S470K462-R466 VanDerWaalsContact O-CB 3.32Å; K462-R466 WeakPolarHBondContact O-CB 3.39Å; K462-R466 PolarHBondContact O-N 3.32Å; D463-R466 VanDerWaalsContact CG-NH2 3.34Å; D463-R466 PolarHBondContact O-N 3.29Å; D463-R466 IonicContact OD1-CZ 2.87Å; D463-R466 IonicContact OD1-NH1 3.99Å; D463-R466 PolarHBondContact OD1-NH1 2.88Å; D463-R466 IonicContact OD1-NH2 2.84Å; D463-R466 PolarHBondContact OD1-NH2 2.9Å; D463-R466 IonicContact OD2-NH2 3.81Å; C464-R466 VanDerWaalsContact C-N 3.28Å; C464-R466 PolarHBondContact O-N 2.95Å; R466-S470 PolarHBondContact O-N 3.31Å; R466-S470 VanDerWaalsContact O-N 3.12Å
467V96.9Very high95.8Very high70 Ų7096.6 Ų96.642%0.42447%0.469SS..Hα-helixtrans-65.3-51.9174.9172.60000110.3D463 C464 L469 S470 E471D463-V467 WeakPolarHBondContact O-CG2 3.39Å; D463-V467 PolarHBondContact O-N 2.92Å; C464-V467 PolarHBondContact O-N 3.05Å; C464-V467 VanDerWaalsContact O-N 3.11Å; V467-L469 VanDerWaalsContact C-N 3.32Å; V467-L469 PolarHBondContact O-N 3.12Å; V467-S470 CarbonylContact O-C 3.53Å; V467-S470 WeakPolarHBondContact O-CA 3.47Å; V467-S470 WeakPolarHBondContact O-CB 3.36Å; V467-S470 PolarHBondContact O-N 3.33Å; V467-S470 PolarHBondContact O-OG 3.37Å; V467-E471 HydrophobicContact CG1-CG 4.34Å; V467-E471 WeakPolarHBondContact O-CG 3.47Å; V467-E471 PolarHBondContact O-N 2.93Å
468Q95.3Very high95.8Very high110 Ų11097.5 Ų97.551%0.51447%0.473SS..Hα-helixtrans-58.9-39.8178-70174.5-19.400112.8C464 S470 E471 T472C464-Q468 PolarHBondContact O-N 3.42Å; Q468-S470 PolarHBondContact O-N 2.78Å; Q468-E471 PolarHBondContact O-N 2.91Å; Q468-T472 WeakPolarHBondContact O-CB 3.23Å; Q468-T472 WeakPolarHBondContact O-CG2 3.49Å; Q468-T472 PolarHBondContact O-N 2.67Å; Q468-T472 PolarHBondContact O-OG1 2.85Å
469L94.8Very high95.8Very high97 Ų9799 Ų9951%0.50848%0.481SS..Hα-helixtrans-68-21.5173.1-74.1171.6000113.1N465 V467 T472 R473N465-L469 VanDerWaalsContact O-CB 3.29Å; N465-L469 WeakPolarHBondContact O-CB 3.44Å; N465-L469 VanDerWaalsContact O-CG 3.23Å; N465-L469 WeakPolarHBondContact O-CG 3.41Å; N465-L469 PolarHBondContact O-N 3.02Å; V467-L469 VanDerWaalsContact C-N 3.32Å; V467-L469 PolarHBondContact O-N 3.12Å; L469-T472 WeakPolarHBondContact CA-OG1 3.36Å; L469-R473 WeakPolarHBondContact O-CB 3.47Å; L469-R473 WeakPolarHBondContact O-CD 3.1Å; L469-R473 WeakPolarHBondContact O-CG 3.24Å
470S95Very high95.8Very high67 Ų67102.5 Ų102.547%0.46949%0.488SS..Hα-helixtrans-83.3-36.3172.278.50000112.2R466 V467 Q468 R473 R474R466-S470 PolarHBondContact O-N 3.31Å; R466-S470 VanDerWaalsContact O-N 3.12Å; V467-S470 CarbonylContact O-C 3.53Å; V467-S470 WeakPolarHBondContact O-CA 3.47Å; V467-S470 WeakPolarHBondContact O-CB 3.36Å; V467-S470 PolarHBondContact O-N 3.33Å; V467-S470 PolarHBondContact O-OG 3.37Å; Q468-S470 PolarHBondContact O-N 2.78Å; S470-R473 PolarHBondContact O-N 3.24Å; S470-R474 PolarHBondContact O-N 3.03Å
471E95.6Very high95.7Very high85 Ų8597.5 Ų97.540%0.39748%0.48SS..Hα-helixtrans-69.7-49.7178.3-69169145.900111.5V467 Q468 R473 R474 E475V467-E471 HydrophobicContact CG1-CG 4.34Å; V467-E471 WeakPolarHBondContact O-CG 3.47Å; V467-E471 PolarHBondContact O-N 2.93Å; Q468-E471 PolarHBondContact O-N 2.91Å; E471-R473 PolarHBondContact O-N 2.85Å; E471-R474 WeakPolarHBondContact O-CA 3.29Å; E471-R474 WeakPolarHBondContact O-CB 3.5Å; E471-R474 PolarHBondContact O-N 2.96Å; E471-E475 WeakPolarHBondContact O-CG 3.36Å; E471-E475 PolarHBondContact O-N 2.87Å
472T94.4Very high95.7Very high74 Ų7495.1 Ų95.145%0.45448%0.475SS..Hα-helixtrans-61.3-31.9174.451.50000112.5Q468 L469 L476Q468-T472 WeakPolarHBondContact O-CB 3.23Å; Q468-T472 WeakPolarHBondContact O-CG2 3.49Å; Q468-T472 PolarHBondContact O-N 2.67Å; Q468-T472 PolarHBondContact O-OG1 2.85Å; L469-T472 WeakPolarHBondContact CA-OG1 3.36Å; T472-L476 VanDerWaalsContact O-CB 3.24Å; T472-L476 WeakPolarHBondContact O-CB 3.15Å; T472-L476 PolarHBondContact O-N 3.06Å
473R95.9Very high95.6Very high168 Ų16895.8 Ų95.863%0.63448%0.481SS*.Hα-helixtrans-69.9-39171.7-78.7174.1-171.9179.20.5112.6L469 S470 E471 Q477L469-R473 WeakPolarHBondContact O-CB 3.47Å; L469-R473 WeakPolarHBondContact O-CD 3.1Å; L469-R473 WeakPolarHBondContact O-CG 3.24Å; S470-R473 PolarHBondContact O-N 3.24Å; E471-R473 PolarHBondContact O-N 2.85Å; R473-Q477 VanDerWaalsContact O-CG 3.31Å; R473-Q477 WeakPolarHBondContact O-CG 3.31Å; R473-Q477 PolarHBondContact O-N 3.15Å; R473-Q477 VanDerWaalsContact O-N 3.09Å
474R96.8Very high95.6Very high103 Ų103100.3 Ų100.339%0.38949%0.492SS..Hα-helixtrans-63.2-48.9173.3173.4-169.457.765.79110.2S470 E471 L476 Q477 E478S470-R474 PolarHBondContact O-N 3.03Å; E471-R474 WeakPolarHBondContact O-CA 3.29Å; E471-R474 WeakPolarHBondContact O-CB 3.5Å; E471-R474 PolarHBondContact O-N 2.96Å; R474-L476 VanDerWaalsContact C-N 3.34Å; R474-L476 PolarHBondContact O-N 3.27Å; R474-Q477 CarbonylContact O-C 3.55Å; R474-Q477 WeakPolarHBondContact O-CA 3.06Å; R474-Q477 WeakPolarHBondContact O-CB 3.38Å; R474-Q477 PolarHBondContact O-N 3.46Å; R474-E478 WeakPolarHBondContact CD-OE1 3.35Å; R474-E478 WeakPolarHBondContact CG-OE1 3.38Å; R474-E478 IonicContact CZ-OE1 3.64Å; R474-E478 IonicContact NE-OE1 3.3Å; R474-E478 IonicContact NH1-OE1 3.66Å; R474-E478 PolarHBondContact NH1-OE1 2.87Å; R474-E478 IonicContact NH1-OE2 3.72Å; R474-E478 PolarHBondContact NH1-OE2 2.84Å; R474-E478 WeakPolarHBondContact O-CG 3.32Å; R474-E478 PolarHBondContact O-N 2.94Å
475E95.5Very high95.7Very high85 Ų85100.5 Ų100.540%0.39749%0.491SS..Hα-helixtrans-60.6-41.8177.5-74.7155.8-165.900111.9E471 Q477 E478 L479E471-E475 WeakPolarHBondContact O-CG 3.36Å; E471-E475 PolarHBondContact O-N 2.87Å; E475-Q477 VanDerWaalsContact C-N 3.26Å; E475-Q477 PolarHBondContact O-N 2.99Å; E475-E478 PolarHBondContact O-N 3.41Å; E475-L479 WeakPolarHBondContact O-CB 3.17Å; E475-L479 VanDerWaalsContact O-CG 3.31Å; E475-L479 WeakPolarHBondContact O-CG 3.31Å; E475-L479 PolarHBondContact O-N 3.35Å
476L95.1Very high95.6Very high87 Ų8799.6 Ų99.646%0.45549%0.493SS..Hα-helixtrans-63.6-29.9173.2-176.261.9000112.9T472 R474 K480T472-L476 VanDerWaalsContact O-CB 3.24Å; T472-L476 WeakPolarHBondContact O-CB 3.15Å; T472-L476 PolarHBondContact O-N 3.06Å; R474-L476 VanDerWaalsContact C-N 3.34Å; R474-L476 PolarHBondContact O-N 3.27Å; L476-K480 HydrophobicContact CD1-CD 4.41Å; L476-K480 HydrophobicContact CG-CD 4.28Å; L476-K480 WeakPolarHBondContact O-CB 3.46Å; L476-K480 WeakPolarHBondContact O-CD 3.44Å; L476-K480 WeakPolarHBondContact O-CG 3.37Å; L476-K480 PolarHBondContact O-N 2.83Å; L476-K480 VanDerWaalsContact O-N 3.15Å
477Q95.8Very high95.5Very high139 Ų13996.7 Ų96.765%0.6549%0.486SS*.Hα-helixtrans-75.5-40.9173.1-72.5173.39.700111.8R473 R474 E475 K480 A481R473-Q477 VanDerWaalsContact O-CG 3.31Å; R473-Q477 WeakPolarHBondContact O-CG 3.31Å; R473-Q477 PolarHBondContact O-N 3.15Å; R473-Q477 VanDerWaalsContact O-N 3.09Å; R474-Q477 CarbonylContact O-C 3.55Å; R474-Q477 WeakPolarHBondContact O-CA 3.06Å; R474-Q477 WeakPolarHBondContact O-CB 3.38Å; R474-Q477 PolarHBondContact O-N 3.46Å; E475-Q477 VanDerWaalsContact C-N 3.26Å; E475-Q477 PolarHBondContact O-N 2.99Å; Q477-K480 PolarHBondContact O-N 3.24Å; Q477-A481 WeakPolarHBondContact O-CB 3.47Å; Q477-A481 PolarHBondContact O-N 3.34Å
478E96.3Very high95.4Very high99 Ų99100.5 Ų100.546%0.46350%0.497SS..Hα-helixtrans-63.3-45175.4-71.6166.8-169.200111.3R474 E475 A481 S482R474-E478 WeakPolarHBondContact CD-OE1 3.35Å; R474-E478 WeakPolarHBondContact CG-OE1 3.38Å; R474-E478 IonicContact CZ-OE1 3.64Å; R474-E478 IonicContact NE-OE1 3.3Å; R474-E478 IonicContact NH1-OE1 3.66Å; R474-E478 PolarHBondContact NH1-OE1 2.87Å; R474-E478 IonicContact NH1-OE2 3.72Å; R474-E478 PolarHBondContact NH1-OE2 2.84Å; R474-E478 WeakPolarHBondContact O-CG 3.32Å; R474-E478 PolarHBondContact O-N 2.94Å; E475-E478 PolarHBondContact O-N 3.41Å; E478-A481 WeakPolarHBondContact O-CA 3.49Å; E478-A481 WeakPolarHBondContact O-CB 3.39Å; E478-A481 PolarHBondContact O-N 3.09Å; E478-A481 VanDerWaalsContact O-N 3.1Å; E478-S482 PolarHBondContact O-N 3.1Å
479L95.7Very high95.4Very high113 Ų113100.2 Ų100.259%0.59250%0.495SS*.Hα-helixtrans-63.4-39.7173.7-71.3170.9000112.4E475 A481 S482 Q483E475-L479 WeakPolarHBondContact O-CB 3.17Å; E475-L479 VanDerWaalsContact O-CG 3.31Å; E475-L479 WeakPolarHBondContact O-CG 3.31Å; E475-L479 PolarHBondContact O-N 3.35Å; L479-A481 VanDerWaalsContact C-N 3.26Å; L479-A481 PolarHBondContact O-N 3.44Å; L479-S482 PolarHBondContact O-N 3.42Å; L479-S482 PolarHBondContact O-OG 3.14Å; L479-S482 VanDerWaalsContact O-OG 3.06Å; L479-Q483 VanDerWaalsContact O-CB 3.32Å; L479-Q483 WeakPolarHBondContact O-CB 3.32Å; L479-Q483 PolarHBondContact O-N 2.93Å
480K95.9Very high95.3Very high100 Ų100101.2 Ų101.244%0.43550%0.495SS..Hα-helixtrans-68.5-25.3173-76.6170.7-177.4173.80112.6L476 Q477 R484L476-K480 HydrophobicContact CD1-CD 4.41Å; L476-K480 HydrophobicContact CG-CD 4.28Å; L476-K480 WeakPolarHBondContact O-CB 3.46Å; L476-K480 WeakPolarHBondContact O-CD 3.44Å; L476-K480 WeakPolarHBondContact O-CG 3.37Å; L476-K480 PolarHBondContact O-N 2.83Å; L476-K480 VanDerWaalsContact O-N 3.15Å; Q477-K480 PolarHBondContact O-N 3.24Å; K480-R484 VanDerWaalsContact O-CD 3.28Å; K480-R484 WeakPolarHBondContact O-CD 3.24Å; K480-R484 VanDerWaalsContact O-CG 3.24Å; K480-R484 WeakPolarHBondContact O-CG 3.28Å
481A95.8Very high95.3Very high47 Ų47102.6 Ų102.639%0.38849%0.494SS..Hα-helixtrans-75.4-47.8172.100000111.2Q477 E478 L479 Q483 R484 V485Q477-A481 WeakPolarHBondContact O-CB 3.47Å; Q477-A481 PolarHBondContact O-N 3.34Å; E478-A481 WeakPolarHBondContact O-CA 3.49Å; E478-A481 WeakPolarHBondContact O-CB 3.39Å; E478-A481 PolarHBondContact O-N 3.09Å; E478-A481 VanDerWaalsContact O-N 3.1Å; L479-A481 VanDerWaalsContact C-N 3.26Å; L479-A481 PolarHBondContact O-N 3.44Å; A481-Q483 PolarHBondContact O-N 3.1Å; A481-R484 WeakPolarHBondContact O-CB 3.48Å; A481-R484 PolarHBondContact O-N 3.44Å; A481-R484 VanDerWaalsContact O-N 3.14Å; A481-V485 PolarHBondContact O-N 2.86Å; A481-V485 VanDerWaalsContact O-N 3.1Å
482S95.6Very high95.2Very high64 Ų64104 Ų10445%0.44850%0.501SS..Hα-helixtrans-63.4-39.1178.267.60000112.3E478 L479 R484 V485 A486E478-S482 PolarHBondContact O-N 3.1Å; L479-S482 PolarHBondContact O-N 3.42Å; L479-S482 PolarHBondContact O-OG 3.14Å; L479-S482 VanDerWaalsContact O-OG 3.06Å; S482-R484 VanDerWaalsContact C-N 3.29Å; S482-R484 PolarHBondContact O-N 3.32Å; S482-V485 PolarHBondContact O-N 2.87Å; S482-V485 VanDerWaalsContact O-N 3.1Å; S482-A486 WeakPolarHBondContact O-CB 3.38Å; S482-A486 PolarHBondContact O-N 3.1Å
483Q94.9Very high95.2Very high136 Ų136105.8 Ų105.864%0.63651%0.507SS*.Hα-helixtrans-58-39.1173.4-170.5-174.531.100112.4L479 A481 Q487L479-Q483 VanDerWaalsContact O-CB 3.32Å; L479-Q483 WeakPolarHBondContact O-CB 3.32Å; L479-Q483 PolarHBondContact O-N 2.93Å; A481-Q483 PolarHBondContact O-N 3.1Å; Q483-Q487 VanDerWaalsContact O-CB 3.28Å; Q483-Q487 WeakPolarHBondContact O-CB 3.5Å; Q483-Q487 PolarHBondContact O-N 2.9Å
484R95.9Very high95Very high173 Ų173103.3 Ų103.365%0.65350%0.498SS*.Hα-helixtrans-70.4-33.1176.2-70.2165.2-178.8163.2-1.6112.6K480 A481 S482 K488K480-R484 VanDerWaalsContact O-CD 3.28Å; K480-R484 WeakPolarHBondContact O-CD 3.24Å; K480-R484 VanDerWaalsContact O-CG 3.24Å; K480-R484 WeakPolarHBondContact O-CG 3.28Å; A481-R484 WeakPolarHBondContact O-CB 3.48Å; A481-R484 PolarHBondContact O-N 3.44Å; A481-R484 VanDerWaalsContact O-N 3.14Å; S482-R484 VanDerWaalsContact C-N 3.29Å; S482-R484 PolarHBondContact O-N 3.32Å; R484-K488 WeakPolarHBondContact O-CG 3.28Å; R484-K488 PolarHBondContact O-N 3.37Å
485V95.8Very high94.8Very high78 Ų78100.2 Ų100.247%0.47349%0.494SS..Hα-helixtrans-68.7-53.2174.31750000109.6A481 S482 Q487 K488 E489A481-V485 PolarHBondContact O-N 2.86Å; A481-V485 VanDerWaalsContact O-N 3.1Å; S482-V485 PolarHBondContact O-N 2.87Å; S482-V485 VanDerWaalsContact O-N 3.1Å; V485-Q487 VanDerWaalsContact C-N 3.27Å; V485-Q487 PolarHBondContact O-N 2.95Å; V485-K488 WeakPolarHBondContact O-CA 3.41Å; V485-K488 WeakPolarHBondContact O-CB 3.28Å; V485-K488 PolarHBondContact O-N 2.85Å; V485-E489 HydrophobicContact CG1-CG 4.36Å; V485-E489 WeakPolarHBondContact CG1-OE1 3.3Å; V485-E489 WeakPolarHBondContact O-CG 3.43Å; V485-E489 PolarHBondContact O-N 2.88Å
486A93.6Very high94.7Very high52 Ų5299.9 Ų99.943%0.4349%0.492SS..Hα-helixtrans-58.9-35.5177.900000113S482 K490S482-A486 WeakPolarHBondContact O-CB 3.38Å; S482-A486 PolarHBondContact O-N 3.1Å; A486-K490 WeakPolarHBondContact O-CB 3.44Å; A486-K490 PolarHBondContact O-N 3.34Å
487Q94.5Very high94.6Very high84 Ų84102.4 Ų102.439%0.39350%0.5SS..Hα-helixtrans-65.7-42.1173.217863.818.700112Q483 V485 K490 E491Q483-Q487 VanDerWaalsContact O-CB 3.28Å; Q483-Q487 WeakPolarHBondContact O-CB 3.5Å; Q483-Q487 PolarHBondContact O-N 2.9Å; V485-Q487 VanDerWaalsContact C-N 3.27Å; V485-Q487 PolarHBondContact O-N 2.95Å; Q487-K490 CarbonylContact O-C 3.58Å; Q487-K490 PolarHBondContact O-N 2.8Å; Q487-E491 WeakPolarHBondContact CG-OE1 3.48Å; Q487-E491 PolarHBondContact NE2-OE1 3.2Å; Q487-E491 WeakPolarHBondContact O-CG 3.21Å; Q487-E491 PolarHBondContact O-N 3.34Å
488K95.6Very high94.4Very high150 Ų150101.8 Ų101.865%0.65250%0.497SS*.Hα-helixtrans-66-41.7175.1-77.4-178.1174.7-168.60112.4R484 V485 K490 E491 Q492R484-K488 WeakPolarHBondContact O-CG 3.28Å; R484-K488 PolarHBondContact O-N 3.37Å; V485-K488 WeakPolarHBondContact O-CA 3.41Å; V485-K488 WeakPolarHBondContact O-CB 3.28Å; V485-K488 PolarHBondContact O-N 2.85Å; K488-K490 VanDerWaalsContact C-N 3.31Å; K488-K490 PolarHBondContact O-N 2.92Å; K488-E491 WeakPolarHBondContact O-CB 3.33Å; K488-E491 PolarHBondContact O-N 3.48Å; K488-E491 VanDerWaalsContact O-N 3.1Å; K488-Q492 WeakPolarHBondContact O-CB 3.32Å; K488-Q492 PolarHBondContact O-N 2.72Å
489E94.3Very high94.2Very high103 Ų103103.4 Ų103.448%0.48151%0.505SS..Hα-helixtrans-60.7-42.7173.6-68.9168.2166.700110.5V485 E491 Q492 L493V485-E489 HydrophobicContact CG1-CG 4.36Å; V485-E489 WeakPolarHBondContact CG1-OE1 3.3Å; V485-E489 WeakPolarHBondContact O-CG 3.43Å; V485-E489 PolarHBondContact O-N 2.88Å; E489-E491 VanDerWaalsContact C-N 3.27Å; E489-E491 PolarHBondContact O-N 2.92Å; E489-Q492 PolarHBondContact O-N 2.99Å; E489-L493 WeakPolarHBondContact O-CB 3.45Å; E489-L493 VanDerWaalsContact O-CG 3.28Å; E489-L493 WeakPolarHBondContact O-CG 3.48Å; E489-L493 PolarHBondContact O-N 3.25Å
490K93.8Very high94.1Very high119 Ų119103.2 Ų103.252%0.51750%0.503SS..Hα-helixtrans-66.5-25.2174-164.1-177.3-177.2172.10113A486 Q487 K488 R494A486-K490 WeakPolarHBondContact O-CB 3.44Å; A486-K490 PolarHBondContact O-N 3.34Å; Q487-K490 CarbonylContact O-C 3.58Å; Q487-K490 PolarHBondContact O-N 2.8Å; K488-K490 VanDerWaalsContact C-N 3.31Å; K488-K490 PolarHBondContact O-N 2.92Å; K490-R494 VanDerWaalsContact C-NH1 3.28Å; K490-R494 VanDerWaalsContact O-CG 3.3Å; K490-R494 WeakPolarHBondContact O-CG 3.48Å; K490-R494 PolarHBondContact O-NH1 3.1Å
491E94.2Very high93.7Very high96 Ų96103.2 Ų103.245%0.44951%0.506SS..Hα-helixtrans-78.6-45.1172.4-75.9163-173.500111.1Q487 K488 E489 R494 A495Q487-E491 WeakPolarHBondContact CG-OE1 3.48Å; Q487-E491 PolarHBondContact NE2-OE1 3.2Å; Q487-E491 WeakPolarHBondContact O-CG 3.21Å; Q487-E491 PolarHBondContact O-N 3.34Å; K488-E491 WeakPolarHBondContact O-CB 3.33Å; K488-E491 PolarHBondContact O-N 3.48Å; K488-E491 VanDerWaalsContact O-N 3.1Å; E489-E491 VanDerWaalsContact C-N 3.27Å; E489-E491 PolarHBondContact O-N 2.92Å; E491-R494 WeakPolarHBondContact O-CB 3.4Å; E491-R494 PolarHBondContact O-N 3.21Å; E491-R494 VanDerWaalsContact O-N 3.12Å; E491-A495 PolarHBondContact O-N 2.98Å
492Q94.6Very high93.3Very high115 Ų115106.8 Ų106.854%0.53752%0.515SS..Hα-helixtrans-57.8-49.6173.2178.7178.2-21.900111.7K488 E489 R494 A495 E496K488-Q492 WeakPolarHBondContact O-CB 3.32Å; K488-Q492 PolarHBondContact O-N 2.72Å; E489-Q492 PolarHBondContact O-N 2.99Å; Q492-R494 PolarHBondContact O-N 3.28Å; Q492-A495 CarbonylContact O-C 3.59Å; Q492-A495 WeakPolarHBondContact O-CA 3.5Å; Q492-A495 WeakPolarHBondContact O-CB 3.24Å; Q492-A495 PolarHBondContact O-N 3.02Å; Q492-E496 HydrophobicContact CG-CG 4.31Å; Q492-E496 WeakPolarHBondContact CG-OE1 3.32Å; Q492-E496 PolarHBondContact NE2-OE1 3.4Å; Q492-E496 WeakPolarHBondContact O-CG 3.47Å; Q492-E496 PolarHBondContact O-N 2.76Å
493L93.2Very high93Very high110 Ų110109.8 Ų109.858%0.57652%0.517SS*.Hα-helixtrans-62.5-23.2177.2-71.4169.2000113.3E489 K497E489-L493 WeakPolarHBondContact O-CB 3.45Å; E489-L493 VanDerWaalsContact O-CG 3.28Å; E489-L493 WeakPolarHBondContact O-CG 3.48Å; E489-L493 PolarHBondContact O-N 3.25Å; L493-K497 VanDerWaalsContact O-CB 3.24Å; L493-K497 WeakPolarHBondContact O-CB 3.46Å; L493-K497 PolarHBondContact O-N 3.18Å
494R92.1Very high92.6Very high116 Ų116106.9 Ų106.944%0.43851%0.505SS..Hα-helixtrans-77.3-39.8170.1-75.2-179-161.6106.1-25.4111.7K490 E491 Q492 K497 Q498K490-R494 VanDerWaalsContact C-NH1 3.28Å; K490-R494 VanDerWaalsContact O-CG 3.3Å; K490-R494 WeakPolarHBondContact O-CG 3.48Å; K490-R494 PolarHBondContact O-NH1 3.1Å; E491-R494 WeakPolarHBondContact O-CB 3.4Å; E491-R494 PolarHBondContact O-N 3.21Å; E491-R494 VanDerWaalsContact O-N 3.12Å; Q492-R494 PolarHBondContact O-N 3.28Å; R494-K497 PolarHBondContact O-N 3.12Å; R494-Q498 WeakPolarHBondContact O-CG 3.44Å; R494-Q498 PolarHBondContact O-N 2.92Å
495A92.8Very high92Very high38 Ų38101.4 Ų101.431%0.31449%0.493SS..Hα-helixtrans-64.7-49.2175.300000111.2E491 Q492 K497 Q498 E499E491-A495 PolarHBondContact O-N 2.98Å; Q492-A495 CarbonylContact O-C 3.59Å; Q492-A495 WeakPolarHBondContact O-CA 3.5Å; Q492-A495 WeakPolarHBondContact O-CB 3.24Å; Q492-A495 PolarHBondContact O-N 3.02Å; A495-K497 VanDerWaalsContact C-N 3.26Å; A495-K497 PolarHBondContact O-N 2.83Å; A495-Q498 CarbonylContact O-C 3.59Å; A495-Q498 WeakPolarHBondContact O-CA 3.47Å; A495-Q498 WeakPolarHBondContact O-CB 3.37Å; A495-Q498 PolarHBondContact O-N 2.82Å; A495-E499 PolarHBondContact O-N 2.98Å
496E93.2Very high91.4Very high78 Ų78101.7 Ų101.736%0.36449%0.489SS..Hα-helixtrans-57.3-38.8174.1-69.2173.9-175.100111.8Q492 L500Q492-E496 HydrophobicContact CG-CG 4.31Å; Q492-E496 WeakPolarHBondContact CG-OE1 3.32Å; Q492-E496 PolarHBondContact NE2-OE1 3.4Å; Q492-E496 WeakPolarHBondContact O-CG 3.47Å; Q492-E496 PolarHBondContact O-N 2.76Å; E496-L500 WeakPolarHBondContact O-CB 3.26Å; E496-L500 WeakPolarHBondContact O-CG 3.4Å; E496-L500 PolarHBondContact O-N 3.37Å
497K92.7Very high90.6Very high141 Ų141102.5 Ų102.561%0.61349%0.486SS*.Hα-helixtrans-65.6-37.9172.3-179.4177.8177.6-179.90112.5L493 R494 A495 M501L493-K497 VanDerWaalsContact O-CB 3.24Å; L493-K497 WeakPolarHBondContact O-CB 3.46Å; L493-K497 PolarHBondContact O-N 3.18Å; R494-K497 PolarHBondContact O-N 3.12Å; A495-K497 VanDerWaalsContact C-N 3.26Å; A495-K497 PolarHBondContact O-N 2.83Å; K497-M501 WeakPolarHBondContact O-CB 3.25Å; K497-M501 VanDerWaalsContact O-CG 3.26Å; K497-M501 WeakPolarHBondContact O-CG 3.35Å; K497-M501 PolarHBondContact O-N 2.84Å
498Q92.5Very high89.8Confident126 Ų126104.3 Ų104.359%0.58949%0.494SS*.Hα-helixtrans-67.4-46.4176.2-75.8168.6-36.200110.9R494 A495 L500 M501 E502R494-Q498 WeakPolarHBondContact O-CG 3.44Å; R494-Q498 PolarHBondContact O-N 2.92Å; A495-Q498 CarbonylContact O-C 3.59Å; A495-Q498 WeakPolarHBondContact O-CA 3.47Å; A495-Q498 WeakPolarHBondContact O-CB 3.37Å; A495-Q498 PolarHBondContact O-N 2.82Å; Q498-L500 VanDerWaalsContact C-N 3.33Å; Q498-L500 PolarHBondContact O-N 2.91Å; Q498-M501 WeakPolarHBondContact O-CB 3.42Å; Q498-M501 PolarHBondContact O-N 2.93Å; Q498-M501 VanDerWaalsContact O-N 3.14Å; Q498-E502 WeakPolarHBondContact O-CG 3.5Å; Q498-E502 PolarHBondContact O-N 2.85Å
499E92.4Very high88.7Confident133 Ų133104.3 Ų104.362%0.62150%0.497SS*.Hα-helixtrans-58.6-41.9174-68.7177.3-169.100112A495 E502 Y503A495-E499 PolarHBondContact O-N 2.98Å; E499-E502 PolarHBondContact O-N 3.14Å; E499-Y503 VanDerWaalsContact O-CB 3.3Å; E499-Y503 WeakPolarHBondContact O-CB 3.44Å; E499-Y503 PolarHBondContact O-N 2.96Å
500L91.9Very high87.6Confident108 Ų108105.5 Ų105.557%0.56550%0.5SS*.Hα-helixtrans-62.7-43.4173.2-82.8164000112.7E496 Q498 Y503 I504E496-L500 WeakPolarHBondContact O-CB 3.26Å; E496-L500 WeakPolarHBondContact O-CG 3.4Å; E496-L500 PolarHBondContact O-N 3.37Å; Q498-L500 VanDerWaalsContact C-N 3.33Å; Q498-L500 PolarHBondContact O-N 2.91Å; L500-Y503 PolarHBondContact O-N 3.4Å; L500-I504 WeakPolarHBondContact O-CD1 3.3Å; L500-I504 VanDerWaalsContact O-CG1 3.25Å; L500-I504 WeakPolarHBondContact O-CG1 3.48Å; L500-I504 PolarHBondContact O-N 2.92Å
501M88.1Confident86Confident101 Ų101106.6 Ų106.650%0.49851%0.509SS..Hα-helixtrans-63.6-43.1175.6-74.1-64.8-52.600111.7K497 Q498 I504 C505K497-M501 WeakPolarHBondContact O-CB 3.25Å; K497-M501 VanDerWaalsContact O-CG 3.26Å; K497-M501 WeakPolarHBondContact O-CG 3.35Å; K497-M501 PolarHBondContact O-N 2.84Å; Q498-M501 WeakPolarHBondContact O-CB 3.42Å; Q498-M501 PolarHBondContact O-N 2.93Å; Q498-M501 VanDerWaalsContact O-N 3.14Å; M501-I504 PolarHBondContact O-N 3Å; M501-C505 PolarHBondContact O-N 3.28Å; M501-C505 PolarHBondContact O-SG 2.85Å
502E88.2Confident84Confident122 Ų122105 Ų10557%0.5752%0.518SS*.Hα-helixtrans-64.6-39.2175.5-72.8-178-163.900112Q498 E499 C505 Q506Q498-E502 WeakPolarHBondContact O-CG 3.5Å; Q498-E502 PolarHBondContact O-N 2.85Å; E499-E502 PolarHBondContact O-N 3.14Å; E502-C505 PolarHBondContact O-N 3.34Å; E502-Q506 WeakPolarHBondContact O-CB 3.5Å; E502-Q506 VanDerWaalsContact O-CG 3.29Å; E502-Q506 WeakPolarHBondContact O-CG 3.47Å; E502-Q506 PolarHBondContact O-N 3.41Å
503Y88.7Confident81.9Confident126 Ų126105.5 Ų105.549%0.49453%0.529SS..Hα-helixtrans-65.6-39.4175-177-107.4000112.3E499 L500 Q506 L507E499-Y503 VanDerWaalsContact O-CB 3.3Å; E499-Y503 WeakPolarHBondContact O-CB 3.44Å; E499-Y503 PolarHBondContact O-N 2.96Å; L500-Y503 PolarHBondContact O-N 3.4Å; Y503-Q506 PolarHBondContact O-N 2.89Å; Y503-L507 HydrophobicContact CD1-CD1 3.97Å; Y503-L507 HydrophobicContact CD1-CG 4.38Å; Y503-L507 HydrophobicContact CE1-CD1 3.48Å; Y503-L507 VanDerWaalsContact CE1-CD1 3.48Å; Y503-L507 HydrophobicContact CE1-CG 4.02Å; Y503-L507 WeakPolarHBondContact O-CG 3.29Å; Y503-L507 PolarHBondContact O-N 3.47Å
504I87.1Confident79.5Confident75 Ų75105.5 Ų105.539%0.38553%0.534SS..Hα-helixtrans-60.4-51.6171.9-71162.1000110.1L500 M501 Q506 L507 E508L500-I504 WeakPolarHBondContact O-CD1 3.3Å; L500-I504 VanDerWaalsContact O-CG1 3.25Å; L500-I504 WeakPolarHBondContact O-CG1 3.48Å; L500-I504 PolarHBondContact O-N 2.92Å; M501-I504 PolarHBondContact O-N 3Å; I504-Q506 PolarHBondContact O-N 2.84Å; I504-L507 WeakPolarHBondContact O-CB 3.35Å; I504-L507 PolarHBondContact O-N 2.87Å; I504-E508 HydrophobicContact CG2-CG 4.44Å; I504-E508 WeakPolarHBondContact O-CG 3.48Å; I504-E508 PolarHBondContact O-N 2.95Å
505C82.1Confident77Confident58 Ų58105.6 Ų105.639%0.39255%0.547SS..Hα-helixtrans-56.8-37.1175.8-68.50000112.5M501 E502 Q509M501-C505 PolarHBondContact O-N 3.28Å; M501-C505 PolarHBondContact O-SG 2.85Å; E502-C505 PolarHBondContact O-N 3.34Å; C505-Q509 WeakPolarHBondContact O-CB 3.43Å; C505-Q509 WeakPolarHBondContact O-CG 3.49Å; C505-Q509 PolarHBondContact O-N 3.29Å
506Q83.7Confident74.4Confident84 Ų84110.2 Ų110.239%0.39357%0.572SS.*Hα-helixtrans-70.5-34.3174.8-74.6177.645.800113.3E502 Y503 I504 K510E502-Q506 WeakPolarHBondContact O-CB 3.5Å; E502-Q506 VanDerWaalsContact O-CG 3.29Å; E502-Q506 WeakPolarHBondContact O-CG 3.47Å; E502-Q506 PolarHBondContact O-N 3.41Å; Y503-Q506 PolarHBondContact O-N 2.89Å; I504-Q506 PolarHBondContact O-N 2.84Å; Q506-K510 WeakPolarHBondContact O-CB 3.41Å; Q506-K510 VanDerWaalsContact O-CD 3.3Å; Q506-K510 WeakPolarHBondContact O-CD 3.3Å; Q506-K510 WeakPolarHBondContact O-CG 3.43Å; Q506-K510 PolarHBondContact O-N 3.32Å
507L77.3Confident71.9Confident69 Ų69110 Ų11036%0.36158%0.584SS.*Hα-helixtrans-68.6-43.4172.8-74.7178.1000110.8Y503 I504 Q509 K510 M511Y503-L507 HydrophobicContact CD1-CD1 3.97Å; Y503-L507 HydrophobicContact CD1-CG 4.38Å; Y503-L507 HydrophobicContact CE1-CD1 3.48Å; Y503-L507 VanDerWaalsContact CE1-CD1 3.48Å; Y503-L507 HydrophobicContact CE1-CG 4.02Å; Y503-L507 WeakPolarHBondContact O-CG 3.29Å; Y503-L507 PolarHBondContact O-N 3.47Å; I504-L507 WeakPolarHBondContact O-CB 3.35Å; I504-L507 PolarHBondContact O-N 2.87Å; L507-Q509 VanDerWaalsContact C-N 3.35Å; L507-Q509 PolarHBondContact O-N 3.23Å; L507-K510 CarbonylContact O-C 3.59Å; L507-K510 PolarHBondContact O-N 2.9Å; L507-K510 VanDerWaalsContact O-N 3.11Å; L507-M511 WeakPolarHBondContact O-CG 3.18Å; L507-M511 PolarHBondContact O-N 3.11Å
508E77Confident69Low122 Ų122114.4 Ų114.457%0.5760%0.596SS**Hα-helixtrans-59-44174-69.8175.7164.100111.4I504 K510 M511 G512I504-E508 HydrophobicContact CG2-CG 4.44Å; I504-E508 WeakPolarHBondContact O-CG 3.48Å; I504-E508 PolarHBondContact O-N 2.95Å; E508-K510 PolarHBondContact O-N 3.39Å; E508-M511 PolarHBondContact O-N 3.46Å; E508-G512 PolarHBondContact O-N 2.85Å
509Q71.9Confident66.5Low151 Ų151118.3 Ų118.371%0.70661%0.606SS**Hα-helixtrans-62.4-38.7172.6-76.6-178.82.700113.3C505 L507 G512C505-Q509 WeakPolarHBondContact O-CB 3.43Å; C505-Q509 WeakPolarHBondContact O-CG 3.49Å; C505-Q509 PolarHBondContact O-N 3.29Å; L507-Q509 VanDerWaalsContact C-N 3.35Å; L507-Q509 PolarHBondContact O-N 3.23Å; Q509-G512 PolarHBondContact O-N 3.07Å
510K72.2Confident63.9Low128 Ų128118.2 Ų118.256%0.55761%0.609SS**Hα-helixtrans-71.6-28.9177.4-73.3162.2-168.6161.40112.8Q506 L507 E508Q506-K510 WeakPolarHBondContact O-CB 3.41Å; Q506-K510 VanDerWaalsContact O-CD 3.3Å; Q506-K510 WeakPolarHBondContact O-CD 3.3Å; Q506-K510 WeakPolarHBondContact O-CG 3.43Å; Q506-K510 PolarHBondContact O-N 3.32Å; L507-K510 CarbonylContact O-C 3.59Å; L507-K510 PolarHBondContact O-N 2.9Å; L507-K510 VanDerWaalsContact O-N 3.11Å; E508-K510 PolarHBondContact O-N 3.39Å
511M59.9Low61.2Low141 Ų141117.2 Ų117.270%0.69562%0.617SS**Hα-helixtrans-79.1-28.7171.3-71.1169.755.100112L507 E508 T513 V514L507-M511 WeakPolarHBondContact O-CG 3.18Å; L507-M511 PolarHBondContact O-N 3.11Å; E508-M511 PolarHBondContact O-N 3.46Å; M511-T513 PolarHBondContact O-N 3.33Å; M511-V514 PolarHBondContact O-N 3.05Å
512G51.5Low58.6Low62 Ų62117.1 Ų117.164%0.63963%0.632SS**THydrogen-bonded Turntrans-63.3-10.1-175.700000116.7E508 Q509E508-G512 PolarHBondContact O-N 2.85Å; Q509-G512 PolarHBondContact O-N 3.07Å
513T50.4Low56.6Low126 Ų126117.4 Ų117.477%0.77365%0.645SS**THydrogen-bonded Turntrans-92.91.6173.745.80000114.3M511M511-T513 PolarHBondContact O-N 3.33Å
514V43.2Very low54.9Low111 Ų111118.9 Ų118.967%0.67366%0.659SS**SBendtrans-122.184.6165.9-175.60000109.8M511M511-V514 PolarHBondContact O-N 3.05Å
515T40.3Very low52.4Low118 Ų118119.9 Ų119.972%0.72468%0.679SS**SBendtrans35.5114.2152.756.90000117.5
516T37.4Very low50.2Low134 Ų134122.6 Ų122.682%0.82270%0.699SS**  cis-159.2148.43651.10000114.6
517A40.7Very low48.1Very low75 Ų75125.4 Ų125.462%0.6272%0.722SS**  trans-72.5158.515300000110.7
518R32.9Very low45.9Very low233 Ų233125.6 Ų125.688%0.87974%0.74SS**  cis-132.7136.723.1-89-174.7152.9163.2-8.1112.4
519W40Very low43.8Very low207 Ų207131.3 Ų131.378%0.78476%0.757SS**  87.1131.262-82.289.6000113.5
520D37.4Very low42.3Very low131 Ų131129.2 Ų129.270%0.70176%0.756SS**  trans87.396.4154.8-61.1-45.2000125.1
521A34.4Very low40.3Very low88 Ų88132.6 Ų132.673%0.72777%0.774SS**  95.1111.5100.300000123.7
522A34.1Very low39.1Very low98 Ų98132.3 Ų132.381%0.8178%0.78SS**  trans70.9161.8135.900000120.8
523P46.8Very low38.2Very low129 Ų129133.3 Ų133.384%0.83878%0.783SS**  cis-112.8178.9-6.640.6-29.4000114.4
524I51.8Low37.5Very low156 Ų156135.7 Ų135.780%0.879%0.79SS**  trans-90.2144-177-62.8160.9000111.4
525A35Very low36.8Very low97 Ų97136.3 Ų136.380%0.80280%0.799SS**  trans-133.6109.7157.600000109.2
526S36.6Very low36.5Very low114 Ų114138 Ų13880%0.79780%0.803SS**PPolyproline II helixtrans-78.8128.3-172.5-57.90000112.7
527T38.8Very low36.3Very low143 Ų143136 Ų13688%0.87780%0.795SS**PPolyproline II helixtrans-80.8148.1167.4-31.70000110.3
528G32.4Very low36.1Very low73 Ų73141.4 Ų141.475%0.75381%0.807SS**PPolyproline II helixtrans-47.9155.2-168.800000116.6
529R31.5Very low36.4Very low243 Ų243137.8 Ų137.892%0.91781%0.806SS**  -161.6149.870-169.3174.6-175-172.20.1111.1
530P41.8Very low36.2Very low106 Ų106136.2 Ų136.269%0.68881%0.807SS**  trans-84.9148-174.133.3-36000114
531E29.7Very low36.5Very low199 Ų199135 Ų13593%0.9381%0.809SS**  trans-121.8121.4147.1-73.5-169.8158.800107.5
532T33.9Very low37.1Very low135 Ų135136.9 Ų136.983%0.82881%0.813SS**  trans-90131.8-172.4-480000110.6
533A32.9Very low37.2Very low84 Ų84141 Ų14169%0.69482%0.816SS**  trans-89.7131.3167.100000110.5
534L35.3Very low36.6Very low176 Ų176139 Ų13992%0.92181%0.811SS**  trans33.5104.5146.6-55175.1000117.7
535S29.6Very low35.9Very low124 Ų124138.2 Ų138.287%0.86781%0.807SS**  trans-126.4154.8143.2-171.10000108.3
536D33.2Very low35.9Very low152 Ų152141.4 Ų141.481%0.81381%0.806SS**  trans-92.4-175.5-176.3-138.9-36.2000112.3
537S33.3Very low35.7Very low92 Ų92143.4 Ų143.464%0.64381%0.805SS**  trans68.3102.5168.464.20000120.3
538E37.3Very low35.3Very low189 Ų189144.4 Ų144.488%0.88381%0.805SS**  64.8144.4119.3-63.6-178.8133.700124.6
539D38.5Very low35.3Very low158 Ų158149.5 Ų149.585%0.84581%0.809SS**  trans55.7143.7168-104-11.5000120.4
540E36.5Very low36.1Very low174 Ų174143.5 Ų143.581%0.81380%0.801SS**  cis-1311788.1-70.1-174.598.900112.8
541S42.5Very low36.6Very low106 Ų106143.5 Ų143.574%0.74180%0.801SS**  trans-71.1162169.275.20000114.1
542P47Very low36.7Very low126 Ų126145.5 Ų145.582%0.81880%0.8SS**  -148.5-172.598.839.6-22.6000115.6
543E36.9Very low36.5Very low185 Ų185143.4 Ų143.486%0.86479%0.791SS**  trans-86.9164.2-168.4-50.4178110.600116.7
544A33.3Very low36.5Very low88 Ų88147.9 Ų147.973%0.72780%0.802SS**  trans72.1161.1150.800000117.9
545L38.3Very low36.2Very low139 Ų139142.7 Ų142.773%0.72879%0.791SS**  cis-138.4149.313.3-77.8163.3000113.1
546Q34.5Very low36.4Very low164 Ų164145.8 Ų145.877%0.76679%0.791SS**  trans34.2139.7137-53.41757.900122.4
547I33.2Very low36.3Very low155 Ų155149.7 Ų149.780%0.79580%0.796SS**  -170.8121.9113.8-100160.6000115.2
548L30.2Very low36.3Very low164 Ų164150.4 Ų150.486%0.85980%0.801SS**  trans55.3127.6150.1-64.3164.4000125.6
549H31.6Very low36.4Very low181 Ų181149.5 Ų149.584%0.83880%0.802SS**  trans-71.5-172162.3-75.5-64.3000113.3
550P48.6Very low36.1Very low117 Ų117148.5 Ų148.576%0.7681%0.806SS**  cis-149.8-158.621.243.9-20000117
551P53Low35.9Very low106 Ų106149 Ų14969%0.68881%0.808SS**  cis-132.9-178.5-43.130.5-10.6000115.9
552R30.5Very low35.5Very low241 Ų241153 Ų15391%0.90982%0.815SS**  trans79.5143.8160.6-74.1-178.2174.2153-1118.2
553S31.1Very low34.8Very low91 Ų91150.8 Ų150.864%0.63682%0.815SS**  cis-167.6153.2-7.248.40000114.1
554L31.5Very low34.7Very low178 Ų178151 Ų15193%0.93282%0.816SS**  trans68.2137.4162.6-69.1150.5000116.8
555G30.6Very low35.3Very low67 Ų67152.7 Ų152.769%0.69182%0.82SS**  cis-161.5169-1.500000112.9
556H31.8Very low34.9Very low188 Ų188153 Ų15387%0.8782%0.822SS**  trans-82.9160.9-171-51.7135.6000114.9
557Y31Very low34.9Very low234 Ų234149.9 Ų149.992%0.91882%0.818SS**  -165.8140.4112-107.1-70000111.8
558S33.8Very low34.9Very low107 Ų107149.4 Ų149.475%0.74882%0.817SS**  trans-167.3139.5163-820000110.9
559L40.6Very low34.9Very low170 Ų170148.6 Ų148.689%0.8981%0.812SS**  trans48138.6157.4-60.6169.9000120.3
560C31.1Very low34.8Very low137 Ų137146.8 Ų146.893%0.92681%0.808SS**  trans-143.2144154.4-86.70000109.4
561E32.6Very low34Very low186 Ų186146.4 Ų146.487%0.86981%0.808SS**  trans-117.8164.4176.2-151.3172.8-169.600110
562Q34.2Very low32.9Very low190 Ų190149 Ų14989%0.88882%0.815SS**  trans-29.7135.4179.4-168.2170.812.800119.6
563G32.7Very low33.6Very low78 Ų78143 Ų14380%0.80481%0.807SS**  trans169.6143.5164.400000115.7
564Q33.9Very low34Very low189 Ų189143.3 Ų143.388%0.88382%0.815SS**  trans-96.1171.5174.9-58.7-173.4-82.200112.3
565P45.6Very low34Very low125 Ų125141.7 Ų141.781%0.81281%0.812SS**  -150.5-170.19440.3-21.3000117.1
566D31.1Very low34.1Very low144 Ų144142.7 Ų142.777%0.7781%0.813SS**  trans-73.9155.4-159.5-80.2-73.9000123.1
567S34.3Very low35.1Very low100 Ų100139.5 Ų139.570%0.69981%0.81SS**  trans59.8152136.9-62.10000120.9
568L33.4Very low35.2Very low145 Ų145138.8 Ų138.876%0.75981%0.805SS**  cis-163.8152.647.7-106.9-175.8000113.6
569L30.5Very low35.1Very low147 Ų147139.3 Ų139.377%0.7780%0.8SS**  trans68.7149.9163.3-53.5166.6000117
570L29.3Very low34.8Very low142 Ų142135.7 Ų135.774%0.74379%0.794SS**  cis-150.6152.49.6-160.878.9000112.8
571S31Very low35Very low109 Ų109135 Ų13576%0.76278%0.781SS**  trans75.7124.2155.4-67.40000122.9
572I30.7Very low35.2Very low162 Ų162136.4 Ų136.483%0.83178%0.779SS**  trans-105.7147.9167-74.4165000105.3
573P44.3Very low35.2Very low115 Ų115133.1 Ų133.175%0.74778%0.777SS**  -151.9169.265.642.2-21.3000119.6
574A39.7Very low35.3Very low96 Ų96133.9 Ų133.979%0.79378%0.775SS**  trans-95.6154163.400000111.6
575V32.6Very low35.4Very low144 Ų144131 Ų13187%0.87377%0.771SS**  trans-138.9156.3171179.40000109.4
576A31.2Very low34.9Very low88 Ų88131 Ų13173%0.72777%0.768SS**  trans-83.7176.1-168.900000114.4
577P54.1Low35.2Very low122 Ų122131.6 Ų131.679%0.79277%0.769SS**  trans-92.2170.1-16737.8-36.3000115.2
578R32.5Very low35.1Very low219 Ų219133.3 Ų133.383%0.82677%0.771SS**  trans140155.6168.1-83.9-178.5-179.6-91.73109.3
579D32.8Very low35.5Very low118 Ų118135.5 Ų135.563%0.63178%0.777SS**  cis-164166.3-11.1-105.8-23.7000110
580A34.3Very low36.1Very low94 Ų94134.6 Ų134.678%0.77778%0.78SS**  trans66.2160167.100000116.7
581D33.4Very low36.4Very low121 Ų121132.2 Ų132.265%0.64778%0.781SS**  cis-158.1145.97.3-141.310000106.1
582R38.4Very low37.5Very low217 Ų217133 Ų13382%0.81978%0.783SS**  cis-151.8151.612.7-73.7178.7177.6156.416.6111.7
583S33.2Very low37.5Very low121 Ų121133.2 Ų133.285%0.84679%0.785SS**  -179.6128.1129.2-1730000109.8
584A34.7Very low36.9Very low93 Ų93133.1 Ų133.177%0.76979%0.787SS**  trans-126.4123.9-179.100000111.5
585V35.6Very low36.9Very low130 Ų130136.2 Ų136.279%0.78879%0.79SS**  trans-134.8124.9162.81790000107.2
586V36.5Very low37.8Very low124 Ų124134.7 Ų134.775%0.75278%0.782SS**  trans-121.5123.5-179.7175.20000108.1
587I36Very low37.8Very low156 Ų156138.1 Ų138.180%0.878%0.783SS**  trans-132.7125.6166.4-59.6-175.8000108.8
588N33.4Very low37Very low137 Ų137139.9 Ų139.973%0.73378%0.781SS**PPolyproline II helixtrans-64.2149.5-164.8-54.1-54.7000115.6
589Q41.7Very low36.9Very low190 Ų190132.6 Ų132.689%0.88877%0.767SS**PPolyproline II helixtrans-86.5142.8139.8-68.7-179.3-13.100109.3
590P42.9Very low36.8Very low128 Ų128134.8 Ų134.883%0.83178%0.779SS**PPolyproline II helixtrans-97.6142.5163.734.9-29.2000112.1
591A36.1Very low36.8Very low93 Ų93134.3 Ų134.377%0.76978%0.775SS**  trans-127.5160.3168.700000109
592P52.7Low36.9Very low124 Ų124135.4 Ų135.481%0.80578%0.781SS**  trans-83.8155.1-149.532.1-37.2000115.5
593L31.6Very low36.7Very low168 Ų168132.1 Ų132.188%0.8879%0.785SS**  trans-135.9110.9168.2-72.8177.5000112.6
594S31.3Very low36.9Very low112 Ų112134 Ų13478%0.78379%0.785SS**  trans19.9143.8139.4-48.80000123.3
595L39.3Very low37.8Very low162 Ų162134.1 Ų134.185%0.84878%0.777SS**  trans-57.7169.6163.9-77.873.4000113.6
596P51.1Low37.7Very low111 Ų111136 Ų13672%0.72178%0.778SS**  -142.5140113.936.5-23.7000116.9
597H32.6Very low37.4Very low160 Ų160135.4 Ų135.474%0.74178%0.778SS**  trans67.5157.2146.8-71.916.9000118.5
598Q35.9Very low37.4Very low160 Ų160132.3 Ų132.375%0.74877%0.771SS**  cis-167.1161.5-19.5-103-167.538.200106
599A30.5Very low37.3Very low65 Ų65131.7 Ų131.754%0.53777%0.768SS.*  cis-171.1161.8-1500000110.1
600N32Very low37.2Very low165 Ų165127.7 Ų127.788%0.88276%0.76SS**  trans67.4153.4162.4-55.1-9.4000117
601A34.2Very low36.9Very low83 Ų83131.2 Ų131.269%0.68677%0.766SS**  cis-145.21544.900000113.3
602D34.5Very low37.2Very low145 Ų145135.9 Ų135.978%0.77577%0.772SS**  trans28.6118.8143.2-45.3-28.6000121.6
603T35.7Very low36.5Very low147 Ų147138.7 Ų138.790%0.90277%0.774SS**  -176.2155.797.724.70000113.8
604L37.5Very low36.6Very low162 Ų162136.5 Ų136.585%0.84877%0.773SS**  trans-99.9-176.4173.7-72.9163.5000110.2
605P53.4Low36.9Very low94 Ų94137.6 Ų137.661%0.6177%0.77SS**  cis-123.1-166.7-15.412.216.3000111.1
606H33.4Very low37.4Very low171 Ų171135.6 Ų135.679%0.79277%0.767SS**  cis-169.2158.243.1-87.5-82.3000113.2
607S30.6Very low36.6Very low110 Ų110135.7 Ų135.777%0.76977%0.765SS**  trans64140152.8-127.60000119.6
608S34.9Very low36.6Very low91 Ų91134.8 Ų134.864%0.63677%0.765SS**  cis65132.234-81.20000115
609D32Very low36.4Very low125 Ų125136 Ų13667%0.66877%0.771SS**  cis-151.2148.7-1.9-108.8-59.6000107.7
610S39.2Very low36.2Very low105 Ų105136.9 Ų136.973%0.73479%0.786SS**  55.611590.5-48.30000116
611E36.7Very low36.1Very low203 Ų203134 Ų13495%0.94978%0.779SS**  trans-140.7146.5163-71.6-164.7137.800110.6
612E41.7Very low36Very low190 Ų190138.6 Ų138.689%0.88878%0.783SS**  trans-121.6147.2176.7-89.2-175.7139.900111.6
613E37.9Very low35.8Very low183 Ų183138.6 Ų138.686%0.85578%0.783SS**  trans25.2118.8147.7-170.2172-126.100120.8
614S34.4Very low35.6Very low123 Ų123137.3 Ų137.386%0.8678%0.78SS**  -169133.2129.3-82.30000112.6
615D37.9Very low35.4Very low135 Ų135137.8 Ų137.872%0.72278%0.778SS**  trans-92157.4169.1-164.631.2000109.9
616P49.8Very low34.5Very low120 Ų120142 Ų14278%0.77979%0.79SS**  -151.1160.9107.238.1-21000117.5
617V34.4Very low34.6Very low112 Ų112141.1 Ų141.168%0.67979%0.786SS**  trans-74.7137.8-178.4-162.90000114.1
618L32.1Very low34.7Very low142 Ų142141.6 Ų141.674%0.74378%0.784SS**  166137.6120.7-88167.6000116
619Q31.2Very low34.6Very low185 Ų185140.8 Ų140.886%0.86478%0.783SS**  trans42112.6149-69.9178.7-18.600120.9
620G27.4Very low34.6Very low83 Ų83142.4 Ų142.486%0.85679%0.791SS**  trans-153.9124.5157.600000110.6
621S28.8Very low34.4Very low105 Ų105145.7 Ų145.773%0.73480%0.799SS**  trans-117.5137.5-172.9-1600000112.2
622K31.8Very low34.4Very low180 Ų180143.2 Ų143.278%0.78379%0.792SS**  trans73.5133.4151.4-81.4176.9179.5-179.50121.2
623N30Very low35Very low145 Ų145139.2 Ų139.278%0.77578%0.782SS**  trans92.6136.5130.3-74.118.7000122.4
624S32.7Very low34.8Very low119 Ų119137.6 Ų137.683%0.83278%0.775SS**  trans85.5121.8146.7-1390000119.9
625E32.6Very low34.8Very low173 Ų173142.5 Ų142.581%0.80878%0.776SS**  trans-81.1-173.9152.6-63.3162.8105.500110
626E35Very low34.7Very low183 Ų183143.4 Ų143.486%0.85577%0.774SS**  trans71.7141.2169.9-58.8-17615400116.2
627E35.6Very low33.9Very low151 Ų151144.9 Ų144.971%0.70678%0.775SS**  cis-158.7138.5-1.5-131.2-153.9141.300111.8
628T32.5Very low33.9Very low120 Ų120142.8 Ų142.874%0.73677%0.769SS**  trans57.3173.8155.670.40000118.5
629A32.1Very low33.9Very low75 Ų75144.9 Ų144.962%0.6277%0.773SS**  cis-152.8153.47.200000113.7
630L32.7Very low34.3Very low159 Ų159142.8 Ų142.883%0.83277%0.767SS**  trans55.1122.9146.9-60.8165.7000120.9
631L36.1Very low34.6Very low174 Ų174144 Ų14491%0.91176%0.762SS**  -166131.699.1-100.4168.7000112.7
632L35.9Very low35Very low150 Ų150145.7 Ų145.779%0.78576%0.763SS**  trans-103.2158.7169.7-111163.4000107.7
633P54.4Low35.2Very low106 Ų106144.8 Ų144.869%0.68877%0.766SS**  -154.5169.375.740.9-20.6000118.7
634E32.6Very low35.8Very low150 Ų150141.3 Ų141.370%0.70176%0.757SS**  trans58.9116.3147.2-73.6172.4-174.600121.6
635Y34.9Very low36.4Very low225 Ų225142.2 Ų142.288%0.88275%0.753SS**  -150.5-177.993.9-118.3-93.1000110.4
636K35.4Very low36.7Very low155 Ų155140.6 Ų140.667%0.67476%0.755SS**  trans-118.7163.4-149.9-59.5-178.7170.3-178.30117.6
637D33.8Very low37.6Very low150 Ų150136.6 Ų136.680%0.80275%0.747SS**  trans64.9141.2147-64.7-34000118.7
638A33.8Very low38.6Very low68 Ų68137 Ų13756%0.56275%0.753SS**  cis-168.5-176.6-8.300000109.9
639F33.2Very low39.1Very low186 Ų186147 Ų14782%0.81678%0.777SS**  trans73.3107.3177.1-56.2-84.3000114.5
640L38.1Very low39.4Very low142 Ų142150.6 Ų150.674%0.74379%0.785SS**  62.7111.276.1-64.4174.6000111.3
641S35.2Very low39.8Very low109 Ų109150.1 Ų150.176%0.76278%0.783SS**  cis73.3139.448.6-55.50000114.9
642D37.3Very low40Very low140 Ų140148.8 Ų148.875%0.74978%0.776SS**  trans85.2120.9155.5-152.44.5000118.4A644D642-A644 PolarHBondContact OD1-N 3.03Å; D642-A644 VanDerWaalsContact OD1-N 3.1Å
643L34.6Very low40.2Very low161 Ų161148.7 Ų148.784%0.84378%0.775SS**  -156.796.5128.4-148.274.8000111
644A42.4Very low39.3Very low71 Ų71151.4 Ų151.459%0.58778%0.781SS**  trans-83.7160.7147.900000110.6D642D642-A644 PolarHBondContact OD1-N 3.03Å; D642-A644 VanDerWaalsContact OD1-N 3.1Å
645D46.4Very low39.7Very low139 Ų139151.5 Ų151.574%0.74379%0.786SS**  trans54.6128.3167.5-70.1-7.9000120.7
646T39.6Very low40.1Very low139 Ų139146.2 Ų146.285%0.85378%0.779SS**  trans-125.4123.9135.851.50000109.1
647S53Low40.5Very low99 Ų99145.5 Ų145.569%0.69279%0.787SS**  trans-89.8-173.3-168.2-36.70000113.9
648L56.8Low41Very low160 Ų160145.2 Ų145.284%0.83879%0.786SS**  trans-50.7145177-59.276.4000113.6
649W41.7Very low41.7Very low328 Ų328152.2 Ų152.2100%1.24281%0.806SS**  -158.20124.1-101.799.6000110.5

Retrieved 649 of 649 residues in 3336.1 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).