A0A096NGP5_PAPAN Loading...

Sarcolemmal membrane-associated protein

Associates with the striatin-interacting phosphatase and kinase (STRIPAK) core complex, forming the extended (SIKE1:SLMAP)STRIPAK complex. The (SIKE1:SLMAP)STRIPAK complex dephosphorylates STK3 leading to the inhibition of Hippo signaling and the control of cell growth. May play a role during myoblast fusion.

AlphaFold DB (A0A0D9RII5), UniProt , Accession A0A096NGP5, Species PAPAN (Papio anubis, Olive baboon), Gene SLMAP, Length 842 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
1M52.1Low86.6Confident217 Ų21753.5 Ų53.5100%1.06929%0.285SS*.  0144.80-66.5-51.7-168.700107.9
2P73.1Confident86.8Confident94 Ų9459.7 Ų59.761%0.6133%0.33SS*.  trans-59.6136.5157.629.4-33.5000108.2P130P2-P130 WeakPolarHBondContact CA-O 3.38Å; P2-P130 HydrophobicContact CB-CB 3.82Å; P2-P130 WeakPolarHBondContact CB-O 3.33Å
3S82.9Confident86.9Confident26 Ų2662.8 Ų62.818%0.18235%0.346CS..  trans-144.7128.1-171.9179.90000109.5Y23 D25S3-Y23 WeakPolarHBondContact OG-CD1 3.42Å; S3-D25 WeakPolarHBondContact CB-OD1 3.45Å; S3-D25 VanDerWaalsContact OG-CG 3.31Å; S3-D25 PolarHBondContact OG-OD1 3.28Å
4A89.9Confident87.3Confident0 Ų059.4 Ų59.40%033%0.329CS..  trans-69.6140.9176.800000110.2Y23 L24 F60 F67 F128 P130A4-Y23 CarbonylContact O-C 3.59Å; A4-Y23 WeakPolarHBondContact O-CA 3.47Å; A4-L24 HydrophobicContact CB-CB 4.26Å; A4-L24 PolarHBondContact O-N 3.34Å; A4-F60 HydrophobicContact CB-CB 3.78Å; A4-F60 HydrophobicContact CB-CD1 3.58Å; A4-F60 HydrophobicContact CB-CD2 4.29Å; A4-F60 HydrophobicContact CB-CE1 4.23Å; A4-F60 HydrophobicContact CB-CG 3.62Å; A4-F67 HydrophobicContact CB-CE1 4Å; A4-F67 HydrophobicContact CB-CZ 4.2Å; A4-F128 WeakPolarHBondContact CA-O 3.44Å; A4-P130 HydrophobicContact CB-CG 4.05Å
5L92.8Very high87.6Confident30 Ų3060.4 Ų60.416%0.15733%0.33CS..EExtended strand (participates in β ladder)trans-129.9126.5-172.2170.664.7000111.3I7 H21 Y23 L127 F128L5-I7 HydrophobicContact CD1-CG1 4.39Å; L5-I7 HydrophobicContact CD2-CD1 4.2Å; L5-I7 HydrophobicContact CD2-CG1 4.1Å; L5-I7 HydrophobicContact CG-CG1 4.02Å; L5-H21 VanDerWaalsContact CD1-C 3.46Å; L5-H21 HydrophobicContact CD1-CB 3.98Å; L5-Y23 HydrophobicContact CB-CD1 4.42Å; L5-Y23 HydrophobicContact CD1-CD1 4.14Å; L5-Y23 HydrophobicContact CD1-CE1 4.09Å; L5-Y23 HydrophobicContact CD1-CG 4.49Å; L5-L127 CarbonylContact O-C 3.55Å; L5-F128 HydrophobicContact CB-CB 4.25Å; L5-F128 HydrophobicContact CD2-CD2 4.36Å; L5-F128 HydrophobicContact CG-CD2 4.36Å; L5-F128 PolarHBondContact N-O 3.14Å; L5-F128 PolarHBondContact O-N 3.32Å
6A93.4Very high87.8Confident0 Ų063.3 Ų63.30%035%0.352CS..EExtended strand (participates in β ladder)trans-106115.5168.700000110.8F8 V22 L24 I125 K126 L127A6-F8 HydrophobicContact CB-CD2 4.39Å; A6-F8 HydrophobicContact CB-CE2 3.81Å; A6-V22 HydrophobicContact CB-CB 4.49Å; A6-V22 PolarHBondContact N-O 3.35Å; A6-V22 WeakPolarHBondContact O-CB 3.32Å; A6-V22 PolarHBondContact O-N 3.15Å; A6-L24 HydrophobicContact CB-CD1 3.81Å; A6-L24 HydrophobicContact CB-CG 4.23Å; A6-I125 HydrophobicContact CB-CD1 4.24Å; A6-I125 HydrophobicContact CB-CG1 4.44Å; A6-K126 CarbonylContact C-O 3.55Å; A6-K126 WeakPolarHBondContact CA-O 3.47Å; A6-L127 HydrophobicContact CB-CD2 3.73Å
7I94.1Very high88.1Confident24 Ų2461.1 Ų61.112%0.12334%0.338CS..EExtended strand (participates in β ladder)trans-93.3117.4173.6-58.4-170.5000109.5L5 T9 E19 R20 I125 K126 F128L5-I7 HydrophobicContact CD1-CG1 4.39Å; L5-I7 HydrophobicContact CD2-CD1 4.2Å; L5-I7 HydrophobicContact CD2-CG1 4.1Å; L5-I7 HydrophobicContact CG-CG1 4.02Å; I7-T9 HydrophobicContact CG2-CG2 4.1Å; I7-E19 HydrophobicContact CG2-CG 3.89Å; I7-E19 WeakPolarHBondContact CG2-OE1 3.48Å; I7-R20 CarbonylContact C-O 3.6Å; I7-R20 WeakPolarHBondContact CA-O 3.42Å; I7-I125 CarbonylContact O-C 3.51Å; I7-I125 WeakPolarHBondContact O-CA 3.24Å; I7-K126 HydrophobicContact CB-CB 4.2Å; I7-K126 PolarHBondContact N-O 3.24Å; I7-K126 PolarHBondContact O-N 2.73Å; I7-F128 HydrophobicContact CD1-CD2 4.34Å; I7-F128 HydrophobicContact CD1-CE2 3.66Å; I7-F128 HydrophobicContact CD1-CZ 4.41Å; I7-F128 HydrophobicContact CG1-CD2 4.32Å; I7-F128 HydrophobicContact CG1-CE2 3.93Å
8F94.9Very high88.3Confident1 Ų167.1 Ų67.10%0.00436%0.364CS..EExtended strand (participates in β ladder)trans-100.8107.9175.7-69.7-99000109.7A6 F17 E19 R20 V22 V58 F105 S123 I125A6-F8 HydrophobicContact CB-CD2 4.39Å; A6-F8 HydrophobicContact CB-CE2 3.81Å; F8-F17 HydrophobicContact CB-CE2 4.24Å; F8-E19 WeakPolarHBondContact O-CA 3.47Å; F8-R20 HydrophobicContact CB-CB 4.16Å; F8-R20 HydrophobicContact CB-CG 4.43Å; F8-R20 PolarHBondContact N-O 3.31Å; F8-R20 PolarHBondContact O-N 3.11Å; F8-R20 VanDerWaalsContact O-N 3.09Å; F8-V22 HydrophobicContact CD2-CB 4.41Å; F8-V22 HydrophobicContact CD2-CG2 3.84Å; F8-V22 HydrophobicContact CE2-CB 4.23Å; F8-V22 HydrophobicContact CE2-CG2 4Å; F8-V58 HydrophobicContact CZ-CG1 4.39Å; F8-F105 HydrophobicContact CE1-CE2 4.25Å; F8-F105 HydrophobicContact CE1-CZ 4.31Å; F8-S123 WeakPolarHBondContact CA-OG 3.42Å; F8-S123 WeakPolarHBondContact CB-OG 3.4Å; F8-I125 HydrophobicContact CD1-CD1 4.25Å; F8-I125 HydrophobicContact CD1-CG1 4.35Å; F8-I125 HydrophobicContact CE1-CD1 3.61Å; F8-I125 HydrophobicContact CE1-CG1 4.2Å; F8-I125 HydrophobicContact CE2-CD1 4.02Å; F8-I125 HydrophobicContact CE2-CG1 4.48Å; F8-I125 HydrophobicContact CZ-CD1 3.48Å; F8-I125 VanDerWaalsContact CZ-CD1 3.48Å; F8-I125 HydrophobicContact CZ-CG1 4.27Å
9T94.1Very high88.5Confident38 Ų3868.4 Ų68.423%0.23337%0.367CS..EExtended strand (participates in β ladder)trans-94.3142.4175.462.90000110.7I7 E19 S123 T124I7-T9 HydrophobicContact CG2-CG2 4.1Å; T9-E19 HydrophobicContact CG2-CG 4.24Å; T9-S123 PolarHBondContact N-OG 2.89Å; T9-S123 WeakPolarHBondContact O-CA 3.5Å; T9-S123 WeakPolarHBondContact O-CB 3.45Å; T9-S123 PolarHBondContact O-OG 3.29Å; T9-T124 PolarHBondContact N-O 3Å; T9-T124 PolarHBondContact O-N 3.24Å; T9-T124 WeakPolarHBondContact OG1-CB 3.49Å; T9-T124 PolarHBondContact OG1-O 3.25Å
10C93.9Very high88.7Confident52 Ų5265.6 Ų65.635%0.35135%0.351SS..EExtended strand (participates in β ladder)trans-80.9129.4-179.6-173.20000111.2F17C10-F17 VanDerWaalsContact CA-CZ 3.45Å; C10-F17 HydrophobicContact CB-CD1 3.89Å; C10-F17 HydrophobicContact CB-CD2 4.36Å; C10-F17 HydrophobicContact CB-CE1 3.64Å; C10-F17 HydrophobicContact CB-CE2 4.14Å; C10-F17 HydrophobicContact CB-CG 4.24Å; C10-F17 HydrophobicContact CB-CZ 3.78Å; C10-F17 WeakPolarHBondContact CB-O 3.32Å; C10-F17 VanDerWaalsContact SG-CD1 3.58Å
11R91.8Very high88.9Confident107 Ų10764.9 Ų64.940%0.40435%0.346SS..PPolyproline II helixtrans-87.3156.7175.1-70.5-70.8-68.4-167.2-0.9112N13 S14 V122 T124R11-N13 WeakPolarHBondContact CB-OD1 3.44Å; R11-N13 PolarHBondContact O-N 3.41Å; R11-S14 WeakPolarHBondContact O-CB 3.45Å; R11-S14 PolarHBondContact O-N 3.33Å; R11-V122 HydrophobicContact CB-CB 4.29Å; R11-V122 HydrophobicContact CB-CG1 4.05Å; R11-V122 HydrophobicContact CG-CG1 4.21Å; R11-V122 PolarHBondContact N-O 3.37Å; R11-V122 VanDerWaalsContact N-O 3.11Å; R11-T124 WeakPolarHBondContact CD-OG1 3.27Å
12P88.3Confident90.9Very high127 Ų12754.6 Ų54.683%0.82530%0.295SS*.THydrogen-bonded Turntrans-60.7-27.1179.9-25.135.3000114.5S14P12-S14 VanDerWaalsContact C-N 3.32Å
13N88.4Confident91.8Very high100 Ų10055.9 Ų55.954%0.53529%0.288SS..THydrogen-bonded Turntrans-9219.7176.567.3-47.5000113.5R11R11-N13 WeakPolarHBondContact CB-OD1 3.44Å; R11-N13 PolarHBondContact O-N 3.41Å
14S92.3Very high92.2Very high16 Ų1654.7 Ų54.711%0.11228%0.28CS..SBendtrans-102.1150.8177-173.60000111.5R11 P12 V122R11-S14 WeakPolarHBondContact O-CB 3.45Å; R11-S14 PolarHBondContact O-N 3.33Å; P12-S14 VanDerWaalsContact C-N 3.32Å; S14-V122 VanDerWaalsContact CB-O 3.24Å; S14-V122 WeakPolarHBondContact CB-O 3.34Å; S14-V122 PolarHBondContact OG-N 3.49Å; S14-V122 PolarHBondContact OG-O 2.86Å
15H91.7Very high92Very high74 Ų7459.1 Ų59.134%0.34330%0.304SS..PPolyproline II helixtrans-55.7131.7154-170.167.4000109.5F17 G119 C120 I121H15-F17 PolarHBondContact O-N 3.32Å; H15-G119 WeakPolarHBondContact CB-O 3.47Å; H15-C120 VanDerWaalsContact CB-O 3.26Å; H15-C120 WeakPolarHBondContact CB-O 3.45Å; H15-C120 PolarHBondContact N-O 3.12Å; H15-I121 HydrophobicContact CB-CD1 4.22Å
16P91.2Very high91.7Very high106 Ų10664.9 Ų64.969%0.68833%0.33SS*.PPolyproline II helixtrans-62.5134.7-168.6-27.535.8000114.5
17F93.6Very high91.6Very high26 Ų2668.6 Ų68.611%0.11435%0.354CS..  trans-146.5149.5167.567.7-84.8000111.2F8 C10 H15 F46 I121F8-F17 HydrophobicContact CB-CE2 4.24Å; C10-F17 VanDerWaalsContact CA-CZ 3.45Å; C10-F17 HydrophobicContact CB-CD1 3.89Å; C10-F17 HydrophobicContact CB-CD2 4.36Å; C10-F17 HydrophobicContact CB-CE1 3.64Å; C10-F17 HydrophobicContact CB-CE2 4.14Å; C10-F17 HydrophobicContact CB-CG 4.24Å; C10-F17 HydrophobicContact CB-CZ 3.78Å; C10-F17 WeakPolarHBondContact CB-O 3.32Å; C10-F17 VanDerWaalsContact SG-CD1 3.58Å; H15-F17 PolarHBondContact O-N 3.32Å; F17-F46 HydrophobicContact CB-CD1 4.04Å; F17-F46 HydrophobicContact CB-CE1 4.45Å; F17-F46 HydrophobicContact CD1-CD1 4.3Å; F17-F46 HydrophobicContact CD1-CE1 4.29Å; F17-F46 HydrophobicContact CD2-CD1 4.02Å; F17-F46 AromaticContact CD2-CE1 3.55Å; F17-F46 HydrophobicContact CD2-CE1 3.55Å; F17-F46 HydrophobicContact CE1-CE1 4.46Å; F17-F46 AromaticContact CE2-CE1 3.76Å; F17-F46 HydrophobicContact CE2-CE1 3.76Å; F17-F46 AromaticContact CG-CD1 3.87Å; F17-F46 HydrophobicContact CG-CD1 3.87Å; F17-F46 AromaticContact CG-CE1 3.85Å; F17-F46 HydrophobicContact CG-CE1 3.85Å; F17-F46 HydrophobicContact CZ-CE1 4.21Å; F17-I121 HydrophobicContact CD1-CD1 3.81Å; F17-I121 HydrophobicContact CD1-CG2 4.14Å; F17-I121 HydrophobicContact CE1-CD1 4.43Å; F17-I121 HydrophobicContact CE1-CG2 3.76Å; F17-I121 HydrophobicContact CG-CD1 4.49Å; F17-I121 HydrophobicContact CZ-CG2 4.36Å
18Q91.6Very high91.6Very high170 Ų17069.4 Ų69.479%0.79436%0.358SS*.  trans-72.7143.5171-70.5178-27.600110.8R20Q18-R20 VanDerWaalsContact O-CD 3.24Å; Q18-R20 WeakPolarHBondContact O-CD 3.43Å; Q18-R20 PolarHBondContact O-NE 3.41Å
19E92.4Very high91.6Very high92 Ų9273.2 Ų73.243%0.4338%0.375SS..  trans-50.2139.5178.1-172.2178.2127.600112.4I7 F8 T9 H21I7-E19 HydrophobicContact CG2-CG 3.89Å; I7-E19 WeakPolarHBondContact CG2-OE1 3.48Å; F8-E19 WeakPolarHBondContact O-CA 3.47Å; T9-E19 HydrophobicContact CG2-CG 4.24Å; E19-H21 IonicContact OE1-CD2 2.66Å; E19-H21 IonicContact OE1-CE1 3.19Å; E19-H21 IonicContact OE1-NE2 3.86Å; E19-H21 PolarHBondContact OE1-NE2 3.49Å
20R92.6Very high91.6Very high12 Ų1271.4 Ų71.45%0.04536%0.364CS..EExtended strand (participates in β ladder)trans-115.9138.1-178.1-48.5-57.7178.881.615.7110.9I7 F8 Q18 V22 A40 Q41 N43 T45I7-R20 CarbonylContact C-O 3.6Å; I7-R20 WeakPolarHBondContact CA-O 3.42Å; F8-R20 HydrophobicContact CB-CB 4.16Å; F8-R20 HydrophobicContact CB-CG 4.43Å; F8-R20 PolarHBondContact N-O 3.31Å; F8-R20 PolarHBondContact O-N 3.11Å; F8-R20 VanDerWaalsContact O-N 3.09Å; Q18-R20 VanDerWaalsContact O-CD 3.24Å; Q18-R20 WeakPolarHBondContact O-CD 3.43Å; Q18-R20 PolarHBondContact O-NE 3.41Å; R20-V22 HydrophobicContact CB-CG2 3.71Å; R20-A40 WeakPolarHBondContact CD-O 3.41Å; R20-A40 PolarHBondContact NH1-O 3.45Å; R20-A40 VanDerWaalsContact NH1-O 3.08Å; R20-Q41 CarbonylContact C-O 3.59Å; R20-Q41 VanDerWaalsContact CA-O 3.24Å; R20-Q41 WeakPolarHBondContact CA-O 3.43Å; R20-Q41 WeakPolarHBondContact CB-O 3.46Å; R20-N43 PolarHBondContact NH1-O 2.96Å; R20-N43 PolarHBondContact NH1-OD1 3.04Å; R20-T45 PolarHBondContact NH1-O 3.43Å; R20-T45 PolarHBondContact NH2-O 2.96Å
21H92.9Very high91.6Very high51 Ų5169 Ų6924%0.23635%0.347CS..EExtended strand (participates in β ladder)trans-11382.9174.3-61.5158.3000107.7L5 E19 Q41 N42L5-H21 VanDerWaalsContact CD1-C 3.46Å; L5-H21 HydrophobicContact CD1-CB 3.98Å; E19-H21 IonicContact OE1-CD2 2.66Å; E19-H21 IonicContact OE1-CE1 3.19Å; E19-H21 IonicContact OE1-NE2 3.86Å; E19-H21 PolarHBondContact OE1-NE2 3.49Å; H21-Q41 HydrophobicContact CB-CG 4.39Å; H21-Q41 PolarHBondContact N-O 3.19Å; H21-Q41 PolarHBondContact ND1-NE2 2.87Å; H21-N42 WeakPolarHBondContact O-CA 3.34Å
22V93Very high91.7Very high0 Ų067.9 Ų67.90%034%0.343CS..EExtended strand (participates in β ladder)trans-93.7105.3-169.4-176.20000110A6 F8 R20 L24 I28A6-V22 HydrophobicContact CB-CB 4.49Å; A6-V22 PolarHBondContact N-O 3.35Å; A6-V22 WeakPolarHBondContact O-CB 3.32Å; A6-V22 PolarHBondContact O-N 3.15Å; F8-V22 HydrophobicContact CD2-CB 4.41Å; F8-V22 HydrophobicContact CD2-CG2 3.84Å; F8-V22 HydrophobicContact CE2-CB 4.23Å; F8-V22 HydrophobicContact CE2-CG2 4Å; R20-V22 HydrophobicContact CB-CG2 3.71Å; V22-L24 HydrophobicContact CG1-CD2 4.01Å; V22-I28 HydrophobicContact CG1-CB 3.98Å; V22-I28 HydrophobicContact CG1-CG1 3.78Å; V22-I28 HydrophobicContact CG1-CG2 3.73Å
23Y91.9Very high91.9Very high121 Ų12162.4 Ų62.448%0.47531%0.308SS..EExtended strand (participates in β ladder)trans-70.1136.7172.7-60.8-79.1000110.7S3 A4 L5 I28S3-Y23 WeakPolarHBondContact OG-CD1 3.42Å; A4-Y23 CarbonylContact O-C 3.59Å; A4-Y23 WeakPolarHBondContact O-CA 3.47Å; L5-Y23 HydrophobicContact CB-CD1 4.42Å; L5-Y23 HydrophobicContact CD1-CD1 4.14Å; L5-Y23 HydrophobicContact CD1-CE1 4.09Å; L5-Y23 HydrophobicContact CD1-CG 4.49Å; Y23-I28 WeakPolarHBondContact O-CG1 3.2Å
24L90.6Very high92Very high1 Ų159.8 Ų59.81%0.00530%0.295CS..  trans-115.637.5-171.1-62.3-176.8000112.7A4 A6 V22 E26 I28 V58 F60 F67A4-L24 HydrophobicContact CB-CB 4.26Å; A4-L24 PolarHBondContact O-N 3.34Å; A6-L24 HydrophobicContact CB-CD1 3.81Å; A6-L24 HydrophobicContact CB-CG 4.23Å; V22-L24 HydrophobicContact CG1-CD2 4.01Å; L24-E26 PolarHBondContact O-N 3.2Å; L24-I28 HydrophobicContact CD2-CB 4.02Å; L24-I28 HydrophobicContact CD2-CG1 3.73Å; L24-V58 HydrophobicContact CD1-CG2 4.22Å; L24-V58 HydrophobicContact CD2-CG1 4.12Å; L24-F60 HydrophobicContact CB-CB 4.1Å; L24-F60 HydrophobicContact CD1-CB 4.49Å; L24-F67 HydrophobicContact CD1-CD1 3.74Å; L24-F67 HydrophobicContact CD1-CE1 3.94Å
25D86.6Confident91.3Very high94 Ų9463.6 Ų63.650%0.50333%0.327SS..SBendtrans-60.3-34.7170.3-63.1-20.1000111.4S3S3-D25 WeakPolarHBondContact CB-OD1 3.45Å; S3-D25 VanDerWaalsContact OG-CG 3.31Å; S3-D25 PolarHBondContact OG-OD1 3.28Å
26E87.6Confident90.8Very high150 Ų15071.6 Ų71.670%0.70136%0.355SS*.SBendtrans-127.3159.8172.8-67-172.317300110.4L24 I28L24-E26 PolarHBondContact O-N 3.2Å; E26-I28 PolarHBondContact O-N 3.47Å; E26-I28 VanDerWaalsContact O-N 3.09Å
27P91.1Very high90.4Very high78 Ų7869.2 Ų69.251%0.50634%0.34SS..  trans-60.6110.6176.1-25.336000113.4L57 V58 W59P27-L57 HydrophobicContact CB-CD1 3.91Å; P27-L57 HydrophobicContact CB-CD2 3.97Å; P27-L57 HydrophobicContact CB-CG 4Å; P27-V58 CarbonylContact C-O 3.45Å; P27-W59 HydrophobicContact CB-CB 3.87Å; P27-W59 HydrophobicContact CG-CB 3.97Å
28I93.6Very high90.2Very high42 Ų4275.2 Ų75.222%0.21536%0.362CS..EExtended strand (participates in β ladder)trans-86127.7-178.1-60.1-53.3000110.8V22 Y23 L24 E26 A44 V58V22-I28 HydrophobicContact CG1-CB 3.98Å; V22-I28 HydrophobicContact CG1-CG1 3.78Å; V22-I28 HydrophobicContact CG1-CG2 3.73Å; Y23-I28 WeakPolarHBondContact O-CG1 3.2Å; L24-I28 HydrophobicContact CD2-CB 4.02Å; L24-I28 HydrophobicContact CD2-CG1 3.73Å; E26-I28 PolarHBondContact O-N 3.47Å; E26-I28 VanDerWaalsContact O-N 3.09Å; I28-A44 HydrophobicContact CG2-CB 4.24Å; I28-V58 HydrophobicContact CB-CG1 4.25Å; I28-V58 PolarHBondContact N-O 3.34Å; I28-V58 WeakPolarHBondContact O-CG1 3.5Å; I28-V58 PolarHBondContact O-N 3.47Å
29K94.1Very high90.1Very high81 Ų8169.4 Ų69.435%0.35234%0.339SS..EExtended strand (participates in β ladder)trans-82.5123.6178.6-162.1-162.975.4175.20111.9R53 N54 L57K29-R53 VanDerWaalsContact CE-O 3.25Å; K29-R53 WeakPolarHBondContact CE-O 3.43Å; K29-R53 PolarHBondContact NZ-O 3.3Å; K29-N54 HydrophobicContact CD-CB 4.11Å; K29-N54 WeakPolarHBondContact CD-OD1 3.4Å; K29-N54 PolarHBondContact NZ-OD1 3.45Å; K29-L57 HydrophobicContact CB-CD1 4.32Å
30I95.1Very high90Very high0 Ų066.9 Ų66.90%033%0.334CS..EExtended strand (participates in β ladder)trans-85.3136.1170.4-64143.3000109.5A44 F46 H55 A56 V58 L69 F105I30-A44 WeakPolarHBondContact CA-O 3.34Å; I30-A44 HydrophobicContact CB-CB 4.3Å; I30-A44 HydrophobicContact CG1-CB 3.53Å; I30-F46 HydrophobicContact CG2-CD2 4.5Å; I30-F46 HydrophobicContact CG2-CE2 4.14Å; I30-H55 HydrophobicContact CG2-CB 4.45Å; I30-H55 PolarHBondContact O-N 3.3Å; I30-A56 HydrophobicContact CB-CB 4.08Å; I30-A56 WeakPolarHBondContact CB-O 3.39Å; I30-A56 HydrophobicContact CD1-CB 3.79Å; I30-A56 HydrophobicContact CG2-CB 4.46Å; I30-A56 PolarHBondContact N-O 3.37Å; I30-A56 PolarHBondContact O-N 3.16Å; I30-V58 HydrophobicContact CD1-CB 3.82Å; I30-V58 HydrophobicContact CD1-CG1 3.69Å; I30-V58 HydrophobicContact CG1-CG1 4.09Å; I30-L69 HydrophobicContact CD1-CD1 3.47Å; I30-L69 VanDerWaalsContact CD1-CD1 3.47Å; I30-F105 HydrophobicContact CD1-CE1 3.86Å; I30-F105 HydrophobicContact CD1-CZ 3.64Å; I30-F105 HydrophobicContact CG1-CZ 4.14Å; I30-F105 HydrophobicContact CG2-CD1 3.93Å; I30-F105 HydrophobicContact CG2-CD2 4.01Å; I30-F105 HydrophobicContact CG2-CE1 3.83Å; I30-F105 HydrophobicContact CG2-CE2 3.9Å; I30-F105 HydrophobicContact CG2-CG 4.02Å; I30-F105 HydrophobicContact CG2-CZ 3.81Å
31G93.8Very high89.8Confident1 Ų172 Ų721%0.0136%0.358CS..EExtended strand (participates in β ladder)trans173.4-177175.700000115.9A44 T45 F46 S52G31-A44 PolarHBondContact N-O 3.23Å; G31-T45 WeakPolarHBondContact O-CA 3.45Å; G31-F46 PolarHBondContact O-N 3.33Å; G31-S52 WeakPolarHBondContact CA-O 3.37Å
32R93.9Very high89.7Confident84 Ų8474.6 Ų74.632%0.31737%0.374SS..EExtended strand (participates in β ladder)trans-76.8139.3-178.1-170.3169.673.8-145.79.1113.3V34 F46 C48 K49 L51 S52R32-V34 PolarHBondContact O-N 3.49Å; R32-F46 CarbonylContact C-O 3.59Å; R32-F46 WeakPolarHBondContact CA-O 3.45Å; R32-C48 WeakPolarHBondContact CD-O 3.32Å; R32-C48 VanDerWaalsContact CG-O 3.27Å; R32-C48 WeakPolarHBondContact CG-O 3.23Å; R32-K49 PolarHBondContact NH1-O 3.29Å; R32-L51 HydrophobicContact CB-CB 3.96Å; R32-L51 WeakPolarHBondContact CB-O 3.41Å; R32-L51 WeakPolarHBondContact CD-O 3.35Å; R32-L51 PolarHBondContact NH1-O 2.63Å; R32-S52 PolarHBondContact N-O 3.17Å
33S91.5Very high89.6Confident12 Ų1276.1 Ų76.18%0.08438%0.382CS..  trans-40.2130.5166.5-176.80000112.4R38 F46 D47S33-R38 PolarHBondContact OG-NH1 3.34Å; S33-F46 PolarHBondContact N-O 3.22Å; S33-D47 WeakPolarHBondContact CB-OD1 3.36Å; S33-D47 WeakPolarHBondContact CB-OD2 3.46Å; S33-D47 VanDerWaalsContact OG-CG 3.27Å; S33-D47 PolarHBondContact OG-OD1 3.35Å; S33-D47 PolarHBondContact OG-OD2 3.42Å
34V90.4Very high89.6Confident45 Ų4570.4 Ų70.427%0.27336%0.36SS..BIsolated β-bridgetrans-142163.4174-69.60000110R32 R36 C37 R53R32-V34 PolarHBondContact O-N 3.49Å; V34-R36 PolarHBondContact O-N 3.47Å; V34-C37 HydrophobicContact CG2-CB 3.7Å; V34-C37 PolarHBondContact N-O 3.49Å; V34-C37 CarbonylContact O-C 3.6Å; V34-C37 VanDerWaalsContact O-C 3.27Å; V34-C37 PolarHBondContact O-N 3.4Å; V34-R53 HydrophobicContact CG1-CG 4.03Å
35A79.3Confident89.7Confident95 Ų9571 Ų7179%0.78536%0.363SS*.THydrogen-bonded Turntrans-54.5-25.9-174.100000115.3
36R80.3Confident90.1Very high242 Ų24266.5 Ų66.591%0.91334%0.34SS*.THydrogen-bonded Turntrans-101.1-9.7176.6-63.9-171.2179.9-159.40.2115V34V34-R36 PolarHBondContact O-N 3.47Å
37C82.9Confident90.3Very high57 Ų5764.1 Ų64.139%0.38533%0.332SS..BIsolated β-bridgetrans-137.899.6-177.8-510000107.8V34V34-C37 HydrophobicContact CG2-CB 3.7Å; V34-C37 PolarHBondContact N-O 3.49Å; V34-C37 CarbonylContact O-C 3.6Å; V34-C37 VanDerWaalsContact O-C 3.27Å; V34-C37 PolarHBondContact O-N 3.4Å
38R88.9Confident90.3Very high151 Ų15160.5 Ų60.557%0.5731%0.308SS*.  trans-98.7154.1179.7-65.2-56.7-165159.87.7110.8S33 A40 N43S33-R38 PolarHBondContact OG-NH1 3.34Å; R38-A40 PolarHBondContact O-N 3.25Å; R38-N43 PolarHBondContact O-ND2 3.32Å
39P90.8Very high90.1Very high48 Ų4863.2 Ų63.231%0.31232%0.318SS..  trans-53131.5167.6-24.935000111.3T45 D47P39-T45 WeakPolarHBondContact CA-O 3.11Å; P39-T45 WeakPolarHBondContact CB-O 3.41Å; P39-D47 HydrophobicContact CG-CB 4.16Å
40A90.1Very high89.9Confident40 Ų4059.7 Ų59.733%0.33130%0.304SS..  trans-147.3157.8170.800000109.2R20 R38 N42 N43R20-A40 WeakPolarHBondContact CD-O 3.41Å; R20-A40 PolarHBondContact NH1-O 3.45Å; R20-A40 VanDerWaalsContact NH1-O 3.08Å; R38-A40 PolarHBondContact O-N 3.25Å; A40-N42 PolarHBondContact O-N 3.39Å; A40-N43 PolarHBondContact N-ND2 3.27Å; A40-N43 PolarHBondContact N-OD1 3.21Å; A40-N43 VanDerWaalsContact N-OD1 3.16Å; A40-N43 PolarHBondContact O-N 3.09Å; A40-N43 PolarHBondContact O-OD1 3.22Å
41Q88.2Confident89.8Confident118 Ų11859.8 Ų59.855%0.55130%0.304SS*.THydrogen-bonded Turntrans-56-35.5-177.2-173.2176.5-3.300112.5R20 H21 N43R20-Q41 CarbonylContact C-O 3.59Å; R20-Q41 VanDerWaalsContact CA-O 3.24Å; R20-Q41 WeakPolarHBondContact CA-O 3.43Å; R20-Q41 WeakPolarHBondContact CB-O 3.46Å; H21-Q41 HydrophobicContact CB-CG 4.39Å; H21-Q41 PolarHBondContact N-O 3.19Å; H21-Q41 PolarHBondContact ND1-NE2 2.87Å; Q41-N43 VanDerWaalsContact C-N 3.33Å; Q41-N43 PolarHBondContact O-N 3.4Å
42N89.8Confident89.8Confident106 Ų10660.7 Ų60.757%0.56731%0.31SS*.THydrogen-bonded Turntrans-85.18.7179.972.3-26000115.1H21 A40H21-N42 WeakPolarHBondContact O-CA 3.34Å; A40-N42 PolarHBondContact O-N 3.39Å
43N91.1Very high89.6Confident33 Ų3364.7 Ų64.718%0.17633%0.325CS..SBendtrans-136.1156.4-178.37838.4000114R20 R38 A40 Q41 T45R20-N43 PolarHBondContact NH1-O 2.96Å; R20-N43 PolarHBondContact NH1-OD1 3.04Å; R38-N43 PolarHBondContact O-ND2 3.32Å; A40-N43 PolarHBondContact N-ND2 3.27Å; A40-N43 PolarHBondContact N-OD1 3.21Å; A40-N43 VanDerWaalsContact N-OD1 3.16Å; A40-N43 PolarHBondContact O-N 3.09Å; A40-N43 PolarHBondContact O-OD1 3.22Å; Q41-N43 VanDerWaalsContact C-N 3.33Å; Q41-N43 PolarHBondContact O-N 3.4Å; N43-T45 VanDerWaalsContact C-N 3.29Å; N43-T45 PolarHBondContact O-N 3.44Å; N43-T45 VanDerWaalsContact OD1-CB 3.25Å; N43-T45 WeakPolarHBondContact OD1-CB 3.49Å; N43-T45 PolarHBondContact OD1-N 3.3Å
44A92.5Very high89.6Confident0 Ų068.5 Ų68.50%035%0.345CS..  trans-92.834.8174.900000112.9I28 I30 G31 F46I28-A44 HydrophobicContact CG2-CB 4.24Å; I30-A44 WeakPolarHBondContact CA-O 3.34Å; I30-A44 HydrophobicContact CB-CB 4.3Å; I30-A44 HydrophobicContact CG1-CB 3.53Å; G31-A44 PolarHBondContact N-O 3.23Å; A44-F46 HydrophobicContact CB-CE2 4.2Å; A44-F46 VanDerWaalsContact O-CD2 3.26Å; A44-F46 WeakPolarHBondContact O-CD2 3.34Å; A44-F46 WeakPolarHBondContact O-CE2 3.41Å
45T93.1Very high89.8Confident13 Ų1366.4 Ų66.48%0.0833%0.332CS..EExtended strand (participates in β ladder)trans-93128.3172.7-59.50000110.5R20 G31 P39 N43R20-T45 PolarHBondContact NH1-O 3.43Å; R20-T45 PolarHBondContact NH2-O 2.96Å; G31-T45 WeakPolarHBondContact O-CA 3.45Å; P39-T45 WeakPolarHBondContact CA-O 3.11Å; P39-T45 WeakPolarHBondContact CB-O 3.41Å; N43-T45 VanDerWaalsContact C-N 3.29Å; N43-T45 PolarHBondContact O-N 3.44Å; N43-T45 VanDerWaalsContact OD1-CB 3.25Å; N43-T45 WeakPolarHBondContact OD1-CB 3.49Å; N43-T45 PolarHBondContact OD1-N 3.3Å
46F93.6Very high90.5Very high1 Ų161.9 Ų61.90%0.00430%0.295CS..EExtended strand (participates in β ladder)trans-122.8142.5-175.9-54.4-85.8000110.9F17 I30 G31 R32 S33 A44 C48 L51 F105 I121F17-F46 HydrophobicContact CB-CD1 4.04Å; F17-F46 HydrophobicContact CB-CE1 4.45Å; F17-F46 HydrophobicContact CD1-CD1 4.3Å; F17-F46 HydrophobicContact CD1-CE1 4.29Å; F17-F46 HydrophobicContact CD2-CD1 4.02Å; F17-F46 AromaticContact CD2-CE1 3.55Å; F17-F46 HydrophobicContact CD2-CE1 3.55Å; F17-F46 HydrophobicContact CE1-CE1 4.46Å; F17-F46 AromaticContact CE2-CE1 3.76Å; F17-F46 HydrophobicContact CE2-CE1 3.76Å; F17-F46 AromaticContact CG-CD1 3.87Å; F17-F46 HydrophobicContact CG-CD1 3.87Å; F17-F46 AromaticContact CG-CE1 3.85Å; F17-F46 HydrophobicContact CG-CE1 3.85Å; F17-F46 HydrophobicContact CZ-CE1 4.21Å; I30-F46 HydrophobicContact CG2-CD2 4.5Å; I30-F46 HydrophobicContact CG2-CE2 4.14Å; G31-F46 PolarHBondContact O-N 3.33Å; R32-F46 CarbonylContact C-O 3.59Å; R32-F46 WeakPolarHBondContact CA-O 3.45Å; S33-F46 PolarHBondContact N-O 3.22Å; A44-F46 HydrophobicContact CB-CE2 4.2Å; A44-F46 VanDerWaalsContact O-CD2 3.26Å; A44-F46 WeakPolarHBondContact O-CD2 3.34Å; A44-F46 WeakPolarHBondContact O-CE2 3.41Å; F46-C48 HydrophobicContact CB-CB 4.44Å; F46-C48 PolarHBondContact O-N 3.39Å; F46-L51 HydrophobicContact CB-CD2 3.9Å; F46-L51 HydrophobicContact CD2-CD2 3.83Å; F46-L51 HydrophobicContact CG-CD2 4.25Å; F46-F105 HydrophobicContact CE2-CD2 4.36Å; F46-F105 HydrophobicContact CE2-CE2 4.33Å; F46-I121 HydrophobicContact CB-CD1 3.95Å; F46-I121 HydrophobicContact CB-CG1 3.96Å; F46-I121 HydrophobicContact CD1-CD1 3.97Å; F46-I121 HydrophobicContact CD1-CG1 4.29Å; F46-I121 HydrophobicContact CD1-CG2 4.18Å; F46-I121 HydrophobicContact CD2-CG1 4.5Å; F46-I121 HydrophobicContact CE1-CG2 4.12Å; F46-I121 HydrophobicContact CE2-CG2 4.46Å; F46-I121 HydrophobicContact CG-CD1 4.08Å; F46-I121 HydrophobicContact CG-CG1 4.01Å; F46-I121 HydrophobicContact CG-CG2 4.4Å; F46-I121 HydrophobicContact CZ-CG2 4.27Å
47D92.5Very high91.2Very high100 Ų10052.5 Ų52.554%0.53526%0.262SS..  trans-86.148177.3-139.9-25.3000112.4S33 P39S33-D47 WeakPolarHBondContact CB-OD1 3.36Å; S33-D47 WeakPolarHBondContact CB-OD2 3.46Å; S33-D47 VanDerWaalsContact OG-CG 3.27Å; S33-D47 PolarHBondContact OG-OD1 3.35Å; S33-D47 PolarHBondContact OG-OD2 3.42Å; P39-D47 HydrophobicContact CG-CB 4.16Å
48C90.3Very high91.8Very high1 Ų149.8 Ų49.81%0.00724%0.244CC..  trans-108124.4-175.4176.20000111.1R32 F46 V50 L51 G119 I121R32-C48 WeakPolarHBondContact CD-O 3.32Å; R32-C48 VanDerWaalsContact CG-O 3.27Å; R32-C48 WeakPolarHBondContact CG-O 3.23Å; F46-C48 HydrophobicContact CB-CB 4.44Å; F46-C48 PolarHBondContact O-N 3.39Å; C48-V50 VanDerWaalsContact C-N 3.34Å; C48-V50 PolarHBondContact O-N 3.4Å; C48-V50 VanDerWaalsContact SG-CG2 3.55Å; C48-L51 HydrophobicContact CB-CD1 4.02Å; C48-L51 HydrophobicContact CB-CD2 4.44Å; C48-L51 PolarHBondContact O-N 3.36Å; C48-G119 PolarHBondContact SG-O 3.27Å; C48-I121 HydrophobicContact CB-CD1 3.88Å; C48-I121 HydrophobicContact CB-CG1 3.72Å
49K89.3Confident92Very high99 Ų9944.8 Ų44.843%0.4323%0.225SC..THydrogen-bonded Turntrans-61.7-35.6-173.6-175.1171.3163.5-1720113.5R32 L51 E111 H118R32-K49 PolarHBondContact NH1-O 3.29Å; K49-L51 VanDerWaalsContact C-N 3.27Å; K49-L51 PolarHBondContact O-N 3.4Å; K49-E111 WeakPolarHBondContact CE-OE1 3.5Å; K49-E111 IonicContact NZ-OE1 2.74Å; K49-E111 PolarHBondContact NZ-OE1 3.47Å; K49-E111 IonicContact NZ-OE2 2.59Å; K49-E111 PolarHBondContact NZ-OE2 3.33Å; K49-H118 PolarHBondContact NZ-CD2 3Å; K49-H118 PolarHBondContact NZ-NE2 3.16Å
50V91.1Very high92.1Very high8 Ų843.3 Ų43.35%0.04821%0.214CC..THydrogen-bonded Turntrans-78.8-2.4-177.1-58.60000114.4C48 N76 V109 H118 C120C48-V50 VanDerWaalsContact C-N 3.34Å; C48-V50 PolarHBondContact O-N 3.4Å; C48-V50 VanDerWaalsContact SG-CG2 3.55Å; V50-N76 PolarHBondContact O-ND2 3.15Å; V50-V109 HydrophobicContact CB-CG2 4.47Å; V50-V109 HydrophobicContact CG1-CB 3.78Å; V50-V109 HydrophobicContact CG1-CG2 3.71Å; V50-H118 HydrophobicContact CG1-CB 3.84Å; V50-H118 WeakPolarHBondContact CG1-O 3.34Å; V50-C120 HydrophobicContact CG2-CB 4.03Å
51L93.2Very high92.2Very high1 Ų143.7 Ų43.71%0.00521%0.21CC..SBendtrans-85.4141.5172.5-8654.5000111.8R32 F46 C48 K49 H55 F105 I121R32-L51 HydrophobicContact CB-CB 3.96Å; R32-L51 WeakPolarHBondContact CB-O 3.41Å; R32-L51 WeakPolarHBondContact CD-O 3.35Å; R32-L51 PolarHBondContact NH1-O 2.63Å; F46-L51 HydrophobicContact CB-CD2 3.9Å; F46-L51 HydrophobicContact CD2-CD2 3.83Å; F46-L51 HydrophobicContact CG-CD2 4.25Å; C48-L51 HydrophobicContact CB-CD1 4.02Å; C48-L51 HydrophobicContact CB-CD2 4.44Å; C48-L51 PolarHBondContact O-N 3.36Å; K49-L51 VanDerWaalsContact C-N 3.27Å; K49-L51 PolarHBondContact O-N 3.4Å; L51-H55 WeakPolarHBondContact CA-ND1 3.32Å; L51-H55 WeakPolarHBondContact CG-ND1 3.38Å; L51-F105 HydrophobicContact CD1-CB 3.95Å; L51-F105 WeakPolarHBondContact CD1-O 3.38Å; L51-F105 HydrophobicContact CD2-CB 4.29Å; L51-F105 HydrophobicContact CG-CB 4.03Å; L51-I121 HydrophobicContact CD1-CB 4.38Å; L51-I121 HydrophobicContact CD1-CG1 3.97Å; L51-I121 HydrophobicContact CD2-CG1 4.02Å
52S92.6Very high92Very high20 Ų2043.3 Ų43.314%0.1421%0.208CC..  trans-67.8158.7163.4-66.90000112G31 R32 N54 H55 S75G31-S52 WeakPolarHBondContact CA-O 3.37Å; R32-S52 PolarHBondContact N-O 3.17Å; S52-N54 VanDerWaalsContact C-N 3.31Å; S52-N54 WeakPolarHBondContact CB-O 3.29Å; S52-N54 PolarHBondContact O-N 3.42Å; S52-H55 PolarHBondContact N-ND1 3.15Å; S52-S75 PolarHBondContact OG-N 3.33Å
53R91.3Very high91.7Very high169 Ų16947.5 Ų47.564%0.63822%0.222SC*.SBendtrans-65.6-34.2177.3-66.8-179.8-178150.60.2112.8K29 V34K29-R53 VanDerWaalsContact CE-O 3.25Å; K29-R53 WeakPolarHBondContact CE-O 3.43Å; K29-R53 PolarHBondContact NZ-O 3.3Å; V34-R53 HydrophobicContact CG1-CG 4.03Å
54N90.7Very high91.2Very high92 Ų9249.3 Ų49.349%0.49223%0.234SC..SBendtrans-115.8115.7160.7-54.2-9.1000102.9K29 S52K29-N54 HydrophobicContact CD-CB 4.11Å; K29-N54 WeakPolarHBondContact CD-OD1 3.4Å; K29-N54 PolarHBondContact NZ-OD1 3.45Å; S52-N54 VanDerWaalsContact C-N 3.31Å; S52-N54 WeakPolarHBondContact CB-O 3.29Å; S52-N54 PolarHBondContact O-N 3.42Å
55H93.4Very high90.8Very high0 Ų051.2 Ų51.20%025%0.254CS..  trans-111.6-58.4-177.7-165122000109.3I30 L51 S52 T72 S74 G77 T78 F105 G106I30-H55 HydrophobicContact CG2-CB 4.45Å; I30-H55 PolarHBondContact O-N 3.3Å; L51-H55 WeakPolarHBondContact CA-ND1 3.32Å; L51-H55 WeakPolarHBondContact CG-ND1 3.38Å; S52-H55 PolarHBondContact N-ND1 3.15Å; H55-T72 PolarHBondContact N-OG1 3.23Å; H55-T72 PolarHBondContact O-N 3.48Å; H55-T72 PolarHBondContact O-OG1 3.36Å; H55-S74 VanDerWaalsContact CD2-CB 3.41Å; H55-S74 WeakPolarHBondContact CD2-CB 3.28Å; H55-S74 WeakPolarHBondContact NE2-CB 3.45Å; H55-G77 PolarHBondContact NE2-O 3.07Å; H55-T78 PolarHBondContact CD2-OG1 3.44Å; H55-T78 VanDerWaalsContact CD2-OG1 3.31Å; H55-F105 AromaticContact CD2-CD1 3.95Å; H55-G106 PolarHBondContact CE1-N 2.97Å; H55-G106 VanDerWaalsContact CE1-N 3.3Å; H55-G106 PolarHBondContact NE2-N 3.24Å
56A95.2Very high90.7Very high0 Ų054 Ų540%026%0.264CS..EExtended strand (participates in β ladder)trans-139.4170175.600000110.8I30 L69 Q70 T72 T78 F105I30-A56 HydrophobicContact CB-CB 4.08Å; I30-A56 WeakPolarHBondContact CB-O 3.39Å; I30-A56 HydrophobicContact CD1-CB 3.79Å; I30-A56 HydrophobicContact CG2-CB 4.46Å; I30-A56 PolarHBondContact N-O 3.37Å; I30-A56 PolarHBondContact O-N 3.16Å; A56-L69 HydrophobicContact CB-CD1 3.96Å; A56-Q70 CarbonylContact C-O 3.55Å; A56-Q70 WeakPolarHBondContact CA-O 3.47Å; A56-Q70 WeakPolarHBondContact CB-O 3.45Å; A56-T72 PolarHBondContact N-OG1 3.15Å; A56-T78 HydrophobicContact CB-CG2 4.33Å; A56-F105 HydrophobicContact CB-CD1 4.34Å; A56-F105 HydrophobicContact CB-CE1 3.96Å
57L95.1Very high90.6Very high45 Ų4554.1 Ų54.124%0.23627%0.265CS..EExtended strand (participates in β ladder)trans-123134.1171.2-16971.4000108.2P27 K29 W59 L69 Q70 T72P27-L57 HydrophobicContact CB-CD1 3.91Å; P27-L57 HydrophobicContact CB-CD2 3.97Å; P27-L57 HydrophobicContact CB-CG 4Å; K29-L57 HydrophobicContact CB-CD1 4.32Å; L57-W59 HydrophobicContact CB-CE3 4.34Å; L57-W59 HydrophobicContact CB-CZ3 4.18Å; L57-W59 HydrophobicContact CD2-CE3 4.03Å; L57-W59 HydrophobicContact CD2-CZ3 4.05Å; L57-W59 HydrophobicContact CG-CE3 3.98Å; L57-W59 HydrophobicContact CG-CZ3 4.19Å; L57-L69 WeakPolarHBondContact O-CA 3.48Å; L57-Q70 PolarHBondContact N-O 3.49Å; L57-Q70 PolarHBondContact O-N 3.21Å; L57-T72 HydrophobicContact CB-CG2 3.99Å
58V94.9Very high90.7Very high0 Ų051.5 Ų51.50%025%0.248CC..EExtended strand (participates in β ladder)trans-123135175.159.80000110.1F8 L24 P27 I28 I30 Y68 L69 I97F8-V58 HydrophobicContact CZ-CG1 4.39Å; L24-V58 HydrophobicContact CD1-CG2 4.22Å; L24-V58 HydrophobicContact CD2-CG1 4.12Å; P27-V58 CarbonylContact C-O 3.45Å; I28-V58 HydrophobicContact CB-CG1 4.25Å; I28-V58 PolarHBondContact N-O 3.34Å; I28-V58 WeakPolarHBondContact O-CG1 3.5Å; I28-V58 PolarHBondContact O-N 3.47Å; I30-V58 HydrophobicContact CD1-CB 3.82Å; I30-V58 HydrophobicContact CD1-CG1 3.69Å; I30-V58 HydrophobicContact CG1-CG1 4.09Å; V58-Y68 WeakPolarHBondContact CA-O 3.31Å; V58-L69 HydrophobicContact CB-CD1 4.08Å; V58-I97 HydrophobicContact CG2-CD1 3.97Å
59W94.1Very high90.9Very high47 Ų4751.5 Ų51.518%0.17825%0.248CC..EExtended strand (participates in β ladder)trans-151.7164.1179.969.696.7000112.6P27 L57 F67 Y68 Q70 P94P27-W59 HydrophobicContact CB-CB 3.87Å; P27-W59 HydrophobicContact CG-CB 3.97Å; L57-W59 HydrophobicContact CB-CE3 4.34Å; L57-W59 HydrophobicContact CB-CZ3 4.18Å; L57-W59 HydrophobicContact CD2-CE3 4.03Å; L57-W59 HydrophobicContact CD2-CZ3 4.05Å; L57-W59 HydrophobicContact CG-CE3 3.98Å; L57-W59 HydrophobicContact CG-CZ3 4.19Å; W59-F67 WeakPolarHBondContact O-CA 3.33Å; W59-Y68 HydrophobicContact CZ2-CG 4.19Å; W59-Y68 PolarHBondContact N-O 3.14Å; W59-Y68 AromaticContact NE1-CD2 3.85Å; W59-Y68 PolarHBondContact O-N 3.03Å; W59-Q70 HydrophobicContact CH2-CB 3.86Å; W59-Q70 HydrophobicContact CZ3-CB 3.71Å; W59-P94 HydrophobicContact CH2-CB 3.75Å; W59-P94 HydrophobicContact CH2-CG 3.93Å; W59-P94 HydrophobicContact CZ2-CB 3.79Å; W59-P94 HydrophobicContact CZ2-CG 4.02Å
60F93.2Very high91.2Very high16 Ų1648.2 Ų48.27%0.0723%0.234CC..EExtended strand (participates in β ladder)trans-107.4121.1170.2177.6-113.3000109.8A4 L24 H62 G65 K66 F67 L129 P130A4-F60 HydrophobicContact CB-CB 3.78Å; A4-F60 HydrophobicContact CB-CD1 3.58Å; A4-F60 HydrophobicContact CB-CD2 4.29Å; A4-F60 HydrophobicContact CB-CE1 4.23Å; A4-F60 HydrophobicContact CB-CG 3.62Å; L24-F60 HydrophobicContact CB-CB 4.1Å; L24-F60 HydrophobicContact CD1-CB 4.49Å; F60-H62 AromaticContact CD1-CD2 3.94Å; F60-H62 AromaticContact CD1-CE1 3.66Å; F60-H62 AromaticContact CD1-CG 3.77Å; F60-H62 AromaticContact CD1-ND1 3.58Å; F60-H62 AromaticContact CD1-NE2 3.87Å; F60-H62 HydrophobicContact CE1-CB 4.4Å; F60-H62 AromaticContact CE1-CD2 3.95Å; F60-H62 AromaticContact CE1-CG 3.92Å; F60-H62 PolarHBondContact O-N 3.33Å; F60-H62 PolarHBondContact O-ND1 3.15Å; F60-H62 VanDerWaalsContact O-ND1 3.14Å; F60-G65 VanDerWaalsContact CE2-C 3.46Å; F60-K66 WeakPolarHBondContact CD2-O 3.41Å; F60-F67 HydrophobicContact CB-CD1 4Å; F60-F67 HydrophobicContact CB-CE1 3.92Å; F60-F67 AromaticContact CD2-CD1 3.78Å; F60-F67 HydrophobicContact CD2-CD1 3.78Å; F60-F67 AromaticContact CD2-CD2 3.88Å; F60-F67 HydrophobicContact CD2-CD2 3.88Å; F60-F67 AromaticContact CD2-CE1 3.53Å; F60-F67 HydrophobicContact CD2-CE1 3.53Å; F60-F67 AromaticContact CD2-CE2 3.59Å; F60-F67 HydrophobicContact CD2-CE2 3.59Å; F60-F67 AromaticContact CD2-CG 3.95Å; F60-F67 HydrophobicContact CD2-CG 3.95Å; F60-F67 AromaticContact CD2-CZ 3.41Å; F60-F67 HydrophobicContact CD2-CZ 3.41Å; F60-F67 VanDerWaalsContact CD2-CZ 3.41Å; F60-F67 HydrophobicContact CE2-CD2 4.22Å; F60-F67 HydrophobicContact CE2-CE1 4.36Å; F60-F67 AromaticContact CE2-CE2 3.7Å; F60-F67 HydrophobicContact CE2-CE2 3.7Å; F60-F67 AromaticContact CE2-CZ 3.78Å; F60-F67 HydrophobicContact CE2-CZ 3.78Å; F60-F67 HydrophobicContact CG-CD1 4.32Å; F60-F67 AromaticContact CG-CE1 3.98Å; F60-F67 HydrophobicContact CG-CE1 3.98Å; F60-F67 HydrophobicContact CG-CZ 4.17Å; F60-L129 HydrophobicContact CE2-CD2 3.49Å; F60-L129 VanDerWaalsContact CE2-CD2 3.49Å; F60-L129 HydrophobicContact CZ-CD2 3.67Å; F60-P130 HydrophobicContact CD1-CG 4.17Å; F60-P130 HydrophobicContact CE1-CG 3.53Å; F60-P130 HydrophobicContact CZ-CG 4.14Å
61D91Very high91.4Very high49 Ų4947.9 Ų47.926%0.26223%0.232SC..EExtended strand (participates in β ladder)trans-83.2101170.9-173.2-5.2000109.9K63 T64 G65 K66 Y68D61-K63 PolarHBondContact O-N 3.49Å; D61-K63 VanDerWaalsContact O-N 3.1Å; D61-K63 WeakPolarHBondContact OD1-CB 3.43Å; D61-K63 PolarHBondContact OD1-N 3.2Å; D61-T64 WeakPolarHBondContact CB-OG1 3.3Å; D61-T64 PolarHBondContact O-N 3.38Å; D61-T64 VanDerWaalsContact O-N 3.16Å; D61-G65 PolarHBondContact O-N 3.44Å; D61-K66 PolarHBondContact N-O 3.22Å; D61-Y68 HydrophobicContact CB-CD2 4.19Å; D61-Y68 HydrophobicContact CB-CE2 4Å
62H84.8Confident91.4Very high109 Ų10949.6 Ų49.651%0.50524%0.243SC..THydrogen-bonded Turntrans-60-14.6177.2-67.975.4000114F60F60-H62 AromaticContact CD1-CD2 3.94Å; F60-H62 AromaticContact CD1-CE1 3.66Å; F60-H62 AromaticContact CD1-CG 3.77Å; F60-H62 AromaticContact CD1-ND1 3.58Å; F60-H62 AromaticContact CD1-NE2 3.87Å; F60-H62 HydrophobicContact CE1-CB 4.4Å; F60-H62 AromaticContact CE1-CD2 3.95Å; F60-H62 AromaticContact CE1-CG 3.92Å; F60-H62 PolarHBondContact O-N 3.33Å; F60-H62 PolarHBondContact O-ND1 3.15Å; F60-H62 VanDerWaalsContact O-ND1 3.14Å
63K83Confident91.4Very high195 Ų19554 Ų5485%0.84826%0.259SS*.THydrogen-bonded Turntrans-88.1-29.8176.1-63.5178.2178.4175.60113.4D61D61-K63 PolarHBondContact O-N 3.49Å; D61-K63 VanDerWaalsContact O-N 3.1Å; D61-K63 WeakPolarHBondContact OD1-CB 3.43Å; D61-K63 PolarHBondContact OD1-N 3.2Å
64T81.3Confident91.4Very high71 Ų7145.9 Ų45.944%0.43623%0.229SC..THydrogen-bonded Turntrans-109.7-10.2-176.764.10000113.4D61 K66D61-T64 WeakPolarHBondContact CB-OG1 3.3Å; D61-T64 PolarHBondContact O-N 3.38Å; D61-T64 VanDerWaalsContact O-N 3.16Å; T64-K66 VanDerWaalsContact C-N 3.28Å; T64-K66 PolarHBondContact O-N 3.3Å; T64-K66 WeakPolarHBondContact OG1-CB 3.46Å
65G83.9Confident91.4Very high40 Ų4044.8 Ų44.841%0.41223%0.228SC..THydrogen-bonded Turntrans68.925.3-175.400000113.4F60 D61F60-G65 VanDerWaalsContact CE2-C 3.46Å; D61-G65 PolarHBondContact O-N 3.44Å
66K89.7Confident91.3Very high70 Ų7046.9 Ų46.930%0.30424%0.239SC..EExtended strand (participates in β ladder)trans-118.8148.9-172.5-68.2169.8173.7-84.20111.8F60 D61 T64 Y68 E96F60-K66 WeakPolarHBondContact CD2-O 3.41Å; D61-K66 PolarHBondContact N-O 3.22Å; T64-K66 VanDerWaalsContact C-N 3.28Å; T64-K66 PolarHBondContact O-N 3.3Å; T64-K66 WeakPolarHBondContact OG1-CB 3.46Å; K66-Y68 HydrophobicContact CB-CD2 4.39Å; K66-Y68 HydrophobicContact CB-CE2 3.66Å; K66-Y68 VanDerWaalsContact CD-OH 3.31Å; K66-Y68 WeakPolarHBondContact CD-OH 3.45Å; K66-E96 IonicContact NZ-OE1 2.95Å; K66-E96 PolarHBondContact NZ-OE1 3.24Å; K66-E96 IonicContact NZ-OE2 2.67Å; K66-E96 PolarHBondContact NZ-OE2 3.36Å
67F92.9Very high91.2Very high4 Ų446.9 Ų46.92%0.01824%0.239CC..EExtended strand (participates in β ladder)trans-101.1138.5174.5-63.5-95.7000109.6A4 L24 W59 F60 E96 I97 L127 F128 L129 A135A4-F67 HydrophobicContact CB-CE1 4Å; A4-F67 HydrophobicContact CB-CZ 4.2Å; L24-F67 HydrophobicContact CD1-CD1 3.74Å; L24-F67 HydrophobicContact CD1-CE1 3.94Å; W59-F67 WeakPolarHBondContact O-CA 3.33Å; F60-F67 HydrophobicContact CB-CD1 4Å; F60-F67 HydrophobicContact CB-CE1 3.92Å; F60-F67 AromaticContact CD2-CD1 3.78Å; F60-F67 HydrophobicContact CD2-CD1 3.78Å; F60-F67 AromaticContact CD2-CD2 3.88Å; F60-F67 HydrophobicContact CD2-CD2 3.88Å; F60-F67 AromaticContact CD2-CE1 3.53Å; F60-F67 HydrophobicContact CD2-CE1 3.53Å; F60-F67 AromaticContact CD2-CE2 3.59Å; F60-F67 HydrophobicContact CD2-CE2 3.59Å; F60-F67 AromaticContact CD2-CG 3.95Å; F60-F67 HydrophobicContact CD2-CG 3.95Å; F60-F67 AromaticContact CD2-CZ 3.41Å; F60-F67 HydrophobicContact CD2-CZ 3.41Å; F60-F67 VanDerWaalsContact CD2-CZ 3.41Å; F60-F67 HydrophobicContact CE2-CD2 4.22Å; F60-F67 HydrophobicContact CE2-CE1 4.36Å; F60-F67 AromaticContact CE2-CE2 3.7Å; F60-F67 HydrophobicContact CE2-CE2 3.7Å; F60-F67 AromaticContact CE2-CZ 3.78Å; F60-F67 HydrophobicContact CE2-CZ 3.78Å; F60-F67 HydrophobicContact CG-CD1 4.32Å; F60-F67 AromaticContact CG-CE1 3.98Å; F60-F67 HydrophobicContact CG-CE1 3.98Å; F60-F67 HydrophobicContact CG-CZ 4.17Å; F67-E96 WeakPolarHBondContact O-CA 3.35Å; F67-I97 HydrophobicContact CB-CD1 4.06Å; F67-I97 HydrophobicContact CB-CG1 3.71Å; F67-I97 WeakPolarHBondContact O-CG1 3.42Å; F67-I97 PolarHBondContact O-N 3.33Å; F67-L127 HydrophobicContact CB-CD1 3.78Å; F67-L127 HydrophobicContact CB-CD2 4.44Å; F67-L127 HydrophobicContact CD1-CB 4.42Å; F67-L127 HydrophobicContact CD1-CD1 4.41Å; F67-L127 HydrophobicContact CD1-CD2 3.83Å; F67-L127 HydrophobicContact CD1-CG 4.45Å; F67-L127 HydrophobicContact CD2-CB 4.11Å; F67-L127 HydrophobicContact CD2-CD1 4.04Å; F67-L127 HydrophobicContact CE1-CB 4.36Å; F67-L127 HydrophobicContact CE1-CD2 4.25Å; F67-L127 HydrophobicContact CE2-CB 4.09Å; F67-L127 HydrophobicContact CG-CB 4.3Å; F67-L127 HydrophobicContact CG-CD1 3.82Å; F67-L127 HydrophobicContact CG-CD2 4.1Å; F67-L127 HydrophobicContact CG-CG 4.3Å; F67-L127 HydrophobicContact CZ-CB 4.22Å; F67-F128 WeakPolarHBondContact CZ-O 3.37Å; F67-L129 HydrophobicContact CE2-CD2 3.84Å; F67-L129 HydrophobicContact CZ-CD2 4.27Å; F67-A135 HydrophobicContact CD2-CB 4.09Å; F67-A135 HydrophobicContact CE2-CB 3.56Å; F67-A135 HydrophobicContact CZ-CB 4.44Å
68Y94.1Very high91.2Very high45 Ų4544.7 Ų44.718%0.17623%0.228CC..EExtended strand (participates in β ladder)trans-128.9144-176.6-70.7-78000111.7V58 W59 D61 K66 P94 C95 E96V58-Y68 WeakPolarHBondContact CA-O 3.31Å; W59-Y68 HydrophobicContact CZ2-CG 4.19Å; W59-Y68 PolarHBondContact N-O 3.14Å; W59-Y68 AromaticContact NE1-CD2 3.85Å; W59-Y68 PolarHBondContact O-N 3.03Å; D61-Y68 HydrophobicContact CB-CD2 4.19Å; D61-Y68 HydrophobicContact CB-CE2 4Å; K66-Y68 HydrophobicContact CB-CD2 4.39Å; K66-Y68 HydrophobicContact CB-CE2 3.66Å; K66-Y68 VanDerWaalsContact CD-OH 3.31Å; K66-Y68 WeakPolarHBondContact CD-OH 3.45Å; Y68-P94 HydrophobicContact CD1-CB 3.99Å; Y68-P94 HydrophobicContact CG-CB 4.43Å; Y68-C95 CarbonylContact C-O 3.55Å; Y68-C95 WeakPolarHBondContact CA-O 3.45Å; Y68-E96 HydrophobicContact CD1-CB 4.3Å; Y68-E96 HydrophobicContact CE1-CB 3.98Å
69L94.9Very high91.1Very high2 Ų245.8 Ų45.81%0.0123%0.233CC..EExtended strand (participates in β ladder)trans-125135.3172.6-176.467.5000109.3I30 A56 L57 V58 T78 I80 L85 C95 I97 I103 F105I30-L69 HydrophobicContact CD1-CD1 3.47Å; I30-L69 VanDerWaalsContact CD1-CD1 3.47Å; A56-L69 HydrophobicContact CB-CD1 3.96Å; L57-L69 WeakPolarHBondContact O-CA 3.48Å; V58-L69 HydrophobicContact CB-CD1 4.08Å; L69-T78 HydrophobicContact CD2-CG2 3.8Å; L69-T78 HydrophobicContact CG-CG2 4.29Å; L69-I80 HydrophobicContact CB-CD1 4.47Å; L69-I80 HydrophobicContact CD2-CD1 4.18Å; L69-I80 HydrophobicContact CD2-CG1 3.92Å; L69-L85 HydrophobicContact CD2-CD1 4.34Å; L69-L85 HydrophobicContact CG-CD1 4.4Å; L69-C95 PolarHBondContact N-O 3.44Å; L69-C95 PolarHBondContact O-N 3.03Å; L69-I97 HydrophobicContact CB-CD1 4.27Å; L69-I97 HydrophobicContact CB-CG1 4.47Å; L69-I97 HydrophobicContact CB-CG2 3.85Å; L69-I97 HydrophobicContact CD2-CG2 4.35Å; L69-I103 HydrophobicContact CD2-CD1 4.19Å; L69-I103 HydrophobicContact CD2-CG2 3.53Å; L69-F105 HydrophobicContact CD1-CE1 4.21Å; L69-F105 HydrophobicContact CD1-CZ 4.45Å; L69-F105 HydrophobicContact CD2-CE1 4.39Å
70Q94.7Very high91.1Very high30 Ų3044 Ų4414%0.1423%0.227CC..EExtended strand (participates in β ladder)trans-134.4132.8178.7-166.5-167.31.600110.9A56 L57 W59 E91 S92A56-Q70 CarbonylContact C-O 3.55Å; A56-Q70 WeakPolarHBondContact CA-O 3.47Å; A56-Q70 WeakPolarHBondContact CB-O 3.45Å; L57-Q70 PolarHBondContact N-O 3.49Å; L57-Q70 PolarHBondContact O-N 3.21Å; W59-Q70 HydrophobicContact CH2-CB 3.86Å; W59-Q70 HydrophobicContact CZ3-CB 3.71Å; Q70-E91 PolarHBondContact NE2-OE1 2.98Å; Q70-S92 WeakPolarHBondContact CA-OG 3.31Å; Q70-S92 WeakPolarHBondContact CG-O 3.48Å; Q70-S92 PolarHBondContact NE2-O 3.17Å
71D96Very high90.9Very high0 Ų045.7 Ų45.70%024%0.236CC..EExtended strand (participates in β ladder)trans-75.2126.2170-167.6-59.1000110.4K73 S74 T78 L85 S86 E91 S92D71-K73 PolarHBondContact O-N 3.1Å; D71-K73 PolarHBondContact OD1-N 3.01Å; D71-S74 WeakPolarHBondContact OD1-CB 3.39Å; D71-S74 PolarHBondContact OD1-N 3.04Å; D71-S74 PolarHBondContact OD1-OG 3.38Å; D71-S74 WeakPolarHBondContact OD2-CB 3.36Å; D71-S74 PolarHBondContact OD2-OG 3.41Å; D71-T78 VanDerWaalsContact OD2-CB 3.23Å; D71-T78 WeakPolarHBondContact OD2-CB 3.32Å; D71-T78 PolarHBondContact OD2-N 3.23Å; D71-T78 PolarHBondContact OD2-OG1 3.31Å; D71-L85 HydrophobicContact CB-CB 4.44Å; D71-S86 WeakPolarHBondContact CB-OG 3.48Å; D71-E91 WeakPolarHBondContact O-CA 3.23Å; D71-E91 WeakPolarHBondContact O-CG 3.42Å; D71-S92 PolarHBondContact N-OG 3Å; D71-S92 PolarHBondContact O-N 3.29Å; D71-S92 VanDerWaalsContact O-N 3.11Å
72T92.9Very high90.8Very high38 Ų3848.4 Ų48.423%0.23326%0.259CS..BIsolated β-bridgetrans-102.646-174.958.70000112.4H55 A56 L57H55-T72 PolarHBondContact N-OG1 3.23Å; H55-T72 PolarHBondContact O-N 3.48Å; H55-T72 PolarHBondContact O-OG1 3.36Å; A56-T72 PolarHBondContact N-OG1 3.15Å; L57-T72 HydrophobicContact CB-CG2 3.99Å
73K91.8Very high91Very high111 Ų11150.1 Ų50.148%0.48327%0.267SS..SBendtrans68.145-177-57.1168.6-173.2152.70112D71 S89 E90 E91D71-K73 PolarHBondContact O-N 3.1Å; D71-K73 PolarHBondContact OD1-N 3.01Å; K73-S89 WeakPolarHBondContact CB-O 3.44Å; K73-S89 WeakPolarHBondContact CG-O 3.32Å; K73-E90 WeakPolarHBondContact CA-O 3.33Å; K73-E91 WeakPolarHBondContact CE-OE2 3.38Å; K73-E91 HydrophobicContact CG-CB 4.09Å; K73-E91 HydrophobicContact CG-CG 4.47Å; K73-E91 IonicContact NZ-OE2 2.78Å; K73-E91 PolarHBondContact NZ-OE2 2.95Å
74S92.8Very high91.4Very high0 Ų045.8 Ų45.80%025%0.245CC..  trans-65142.7174.483.60000110.9H55 D71 G77 S89H55-S74 VanDerWaalsContact CD2-CB 3.41Å; H55-S74 WeakPolarHBondContact CD2-CB 3.28Å; H55-S74 WeakPolarHBondContact NE2-CB 3.45Å; D71-S74 WeakPolarHBondContact OD1-CB 3.39Å; D71-S74 PolarHBondContact OD1-N 3.04Å; D71-S74 PolarHBondContact OD1-OG 3.38Å; D71-S74 WeakPolarHBondContact OD2-CB 3.36Å; D71-S74 PolarHBondContact OD2-OG 3.41Å; S74-G77 WeakPolarHBondContact OG-CA 3.29Å; S74-G77 PolarHBondContact OG-N 2.86Å; S74-S89 PolarHBondContact O-N 3.12Å
75S90.8Very high91.8Very high68 Ų6843.7 Ų43.748%0.47623%0.232SC..SBendtrans-71.3-36-178.7-53.10000111.8S52S52-S75 PolarHBondContact OG-N 3.33Å
76N91.3Very high92.1Very high44 Ų4442.5 Ų42.524%0.23522%0.217CC..SBendtrans-104.6-8-170.6-66.3-28.3000114.1V50 V107V50-N76 PolarHBondContact O-ND2 3.15Å; N76-V107 HydrophobicContact CB-CG2 4.39Å
77G91.8Very high91.8Very high0 Ų047.8 Ų47.80%024%0.235CC..  trans93.5140.1175.800000114.5H55 S74 F79 G106H55-G77 PolarHBondContact NE2-O 3.07Å; S74-G77 WeakPolarHBondContact OG-CA 3.29Å; S74-G77 PolarHBondContact OG-N 2.86Å; G77-F79 WeakPolarHBondContact O-CD2 3.5Å; G77-F79 WeakPolarHBondContact O-CE2 3.44Å; G77-G106 VanDerWaalsContact O-CA 3.32Å; G77-G106 WeakPolarHBondContact O-CA 3.47Å; G77-G106 PolarHBondContact O-N 3.46Å
78T94.6Very high91.4Very high0 Ų049.3 Ų49.30%025%0.252CS..EExtended strand (participates in β ladder)trans-92.1144.9162.8-51.30000109.9H55 A56 L69 D71 L85 F105H55-T78 PolarHBondContact CD2-OG1 3.44Å; H55-T78 VanDerWaalsContact CD2-OG1 3.31Å; A56-T78 HydrophobicContact CB-CG2 4.33Å; L69-T78 HydrophobicContact CD2-CG2 3.8Å; L69-T78 HydrophobicContact CG-CG2 4.29Å; D71-T78 VanDerWaalsContact OD2-CB 3.23Å; D71-T78 WeakPolarHBondContact OD2-CB 3.32Å; D71-T78 PolarHBondContact OD2-N 3.23Å; D71-T78 PolarHBondContact OD2-OG1 3.31Å; T78-L85 HydrophobicContact CG2-CD1 3.82Å; T78-L85 HydrophobicContact CG2-CG 4.4Å; T78-L85 PolarHBondContact O-N 3.07Å; T78-F105 HydrophobicContact CG2-CD1 3.8Å; T78-F105 HydrophobicContact CG2-CE1 3.74Å
79F94.3Very high90.9Very high22 Ų2250.9 Ų50.910%0.09627%0.269CS..EExtended strand (participates in β ladder)trans-135.2143.6-179.4-51.7-109.2000111.3G77 Q83 R84 Q104 V107G77-F79 WeakPolarHBondContact O-CD2 3.5Å; G77-F79 WeakPolarHBondContact O-CE2 3.44Å; F79-Q83 CarbonylContact C-O 3.57Å; F79-Q83 WeakPolarHBondContact CA-O 3.41Å; F79-R84 HydrophobicContact CD1-CB 3.58Å; F79-R84 HydrophobicContact CD1-CG 3.97Å; F79-R84 HydrophobicContact CE1-CB 3.56Å; F79-R84 HydrophobicContact CE1-CG 3.67Å; F79-R84 HydrophobicContact CG-CB 4.44Å; F79-R84 HydrophobicContact CZ-CB 4.39Å; F79-R84 HydrophobicContact CZ-CG 4Å; F79-Q104 HydrophobicContact CB-CB 4.18Å; F79-Q104 HydrophobicContact CD2-CB 4.44Å; F79-Q104 HydrophobicContact CD2-CG 4.05Å; F79-Q104 PolarHBondContact N-O 3.15Å; F79-Q104 PolarHBondContact O-N 2.96Å; F79-V107 HydrophobicContact CE2-CG1 3.73Å; F79-V107 HydrophobicContact CZ-CG1 3.56Å
80I93.4Very high90.6Very high11 Ų1155.2 Ų55.26%0.05629%0.29CS..EExtended strand (participates in β ladder)trans-120.1120.9169.6-60.3168.4000107L69 S82 Q83 L85 C95 I97 D101 I103L69-I80 HydrophobicContact CB-CD1 4.47Å; L69-I80 HydrophobicContact CD2-CD1 4.18Å; L69-I80 HydrophobicContact CD2-CG1 3.92Å; I80-S82 VanDerWaalsContact C-N 3.31Å; I80-S82 PolarHBondContact O-N 3.32Å; I80-Q83 PolarHBondContact N-O 3.28Å; I80-Q83 WeakPolarHBondContact O-CB 3.35Å; I80-Q83 PolarHBondContact O-N 3.13Å; I80-L85 HydrophobicContact CB-CD2 4.32Å; I80-L85 HydrophobicContact CD1-CD1 3.96Å; I80-L85 HydrophobicContact CD1-CD2 3.71Å; I80-L85 HydrophobicContact CD1-CG 4.43Å; I80-L85 HydrophobicContact CG1-CD1 4.19Å; I80-L85 HydrophobicContact CG1-CD2 3.89Å; I80-L85 HydrophobicContact CG1-CG 4.46Å; I80-C95 HydrophobicContact CD1-CB 3.72Å; I80-I97 HydrophobicContact CD1-CG2 3.55Å; I80-I97 HydrophobicContact CG1-CG2 4.06Å; I80-I97 HydrophobicContact CG2-CG2 4.45Å; I80-D101 HydrophobicContact CG2-CB 4.49Å; I80-I103 HydrophobicContact CB-CD1 4.4Å; I80-I103 HydrophobicContact CG1-CD1 3.96Å; I80-I103 HydrophobicContact CG2-CD1 4.14Å
81N89.9Confident90.4Very high50 Ų5058.7 Ų58.727%0.26731%0.306SS..THydrogen-bonded Turntrans46.452.4-177.7-59.5-52000112.7Q83 D101 I102 R138N81-Q83 PolarHBondContact O-N 3.37Å; N81-D101 VanDerWaalsContact ND2-CG 3.34Å; N81-D101 PolarHBondContact ND2-OD1 3.3Å; N81-I102 PolarHBondContact N-O 3.07Å; N81-I102 PolarHBondContact OD1-N 3.18Å; N81-R138 PolarHBondContact ND2-NE 3.29Å; N81-R138 PolarHBondContact ND2-NH2 3.25Å
82S88.5Confident90.2Very high106 Ų10658.9 Ų58.974%0.74131%0.307SS*.THydrogen-bonded Turntrans64.9-5.6-175-52.80000116.6I80I80-S82 VanDerWaalsContact C-N 3.31Å; I80-S82 PolarHBondContact O-N 3.32Å
83Q88.2Confident90.2Very high145 Ų14561 Ų6168%0.67832%0.322SS*.EExtended strand (participates in β ladder)trans-84.9124.3174.4-170.8176.97.700111F79 I80 N81F79-Q83 CarbonylContact C-O 3.57Å; F79-Q83 WeakPolarHBondContact CA-O 3.41Å; I80-Q83 PolarHBondContact N-O 3.28Å; I80-Q83 WeakPolarHBondContact O-CB 3.35Å; I80-Q83 PolarHBondContact O-N 3.13Å; N81-Q83 PolarHBondContact O-N 3.37Å
84R92.2Very high90.2Very high104 Ų10459.1 Ų59.139%0.39232%0.321SS..EExtended strand (participates in β ladder)trans-80136.9-178.8-167.2176.5172.7141.67.8112F79 S86 G88F79-R84 HydrophobicContact CD1-CB 3.58Å; F79-R84 HydrophobicContact CD1-CG 3.97Å; F79-R84 HydrophobicContact CE1-CB 3.56Å; F79-R84 HydrophobicContact CE1-CG 3.67Å; F79-R84 HydrophobicContact CG-CB 4.44Å; F79-R84 HydrophobicContact CZ-CB 4.39Å; F79-R84 HydrophobicContact CZ-CG 4Å; R84-S86 WeakPolarHBondContact CD-O 3.45Å; R84-S86 WeakPolarHBondContact CG-O 3.25Å; R84-S86 PolarHBondContact NE-O 2.94Å; R84-G88 VanDerWaalsContact NH2-N 3.16Å
85L89.2Confident90.1Very high28 Ų2860.7 Ų60.715%0.14733%0.331CS..  trans-85.6-34.4-173.4-50.8-171.2000114.9L69 D71 T78 I80 S92 C95L69-L85 HydrophobicContact CD2-CD1 4.34Å; L69-L85 HydrophobicContact CG-CD1 4.4Å; D71-L85 HydrophobicContact CB-CB 4.44Å; T78-L85 HydrophobicContact CG2-CD1 3.82Å; T78-L85 HydrophobicContact CG2-CG 4.4Å; T78-L85 PolarHBondContact O-N 3.07Å; I80-L85 HydrophobicContact CB-CD2 4.32Å; I80-L85 HydrophobicContact CD1-CD1 3.96Å; I80-L85 HydrophobicContact CD1-CD2 3.71Å; I80-L85 HydrophobicContact CD1-CG 4.43Å; I80-L85 HydrophobicContact CG1-CD1 4.19Å; I80-L85 HydrophobicContact CG1-CD2 3.89Å; I80-L85 HydrophobicContact CG1-CG 4.46Å; L85-S92 WeakPolarHBondContact O-CB 3.49Å; L85-C95 HydrophobicContact CD1-CB 4.38Å; L85-C95 HydrophobicContact CD2-CB 4.3Å
86S89.1Confident90.2Very high15 Ų1561.3 Ų61.311%0.10533%0.326CS..SBendtrans-150.9164.4178.263.50000111.3D71 R84 E90D71-S86 WeakPolarHBondContact CB-OG 3.48Å; R84-S86 WeakPolarHBondContact CD-O 3.45Å; R84-S86 WeakPolarHBondContact CG-O 3.25Å; R84-S86 PolarHBondContact NE-O 2.94Å; S86-E90 WeakPolarHBondContact CB-O 3.43Å; S86-E90 PolarHBondContact OG-O 3.18Å
87R83.6Confident90.2Very high181 Ų18159.3 Ų59.368%0.68332%0.316SS*.  trans-71.9165.1171.3-55.8173.8165.4174.3-3.8110.4S89 E90R87-S89 PolarHBondContact O-N 3.4Å; R87-E90 HydrophobicContact CB-CB 4.38Å; R87-E90 HydrophobicContact CB-CG 4.2Å; R87-E90 WeakPolarHBondContact CB-OE2 3.49Å; R87-E90 WeakPolarHBondContact CD-OE1 3.49Å; R87-E90 WeakPolarHBondContact CD-OE2 3.24Å; R87-E90 WeakPolarHBondContact CG-OE2 3.29Å; R87-E90 PolarHBondContact O-N 2.96Å
88G85.1Confident90.1Very high36 Ų3660.9 Ų60.937%0.37132%0.324SS..THydrogen-bonded Turntrans-60.1124.3-178.500000111.7R84 E90R84-G88 VanDerWaalsContact NH2-N 3.16Å; G88-E90 VanDerWaalsContact C-N 3.3Å
89S84.9Confident89.9Confident77 Ų7761 Ų6154%0.53833%0.325SS..THydrogen-bonded Turntrans71.210.1-173.6-36.10000116.2K73 S74 R87K73-S89 WeakPolarHBondContact CB-O 3.44Å; K73-S89 WeakPolarHBondContact CG-O 3.32Å; S74-S89 PolarHBondContact O-N 3.12Å; R87-S89 PolarHBondContact O-N 3.4Å
90E88.2Confident89.6Confident94 Ų9461.7 Ų61.744%0.43934%0.339SS..PPolyproline II helixtrans-99.9151.2170.3-70.1175.5-16800111.3K73 S86 R87 G88K73-E90 WeakPolarHBondContact CA-O 3.33Å; S86-E90 WeakPolarHBondContact CB-O 3.43Å; S86-E90 PolarHBondContact OG-O 3.18Å; R87-E90 HydrophobicContact CB-CB 4.38Å; R87-E90 HydrophobicContact CB-CG 4.2Å; R87-E90 WeakPolarHBondContact CB-OE2 3.49Å; R87-E90 WeakPolarHBondContact CD-OE1 3.49Å; R87-E90 WeakPolarHBondContact CD-OE2 3.24Å; R87-E90 WeakPolarHBondContact CG-OE2 3.29Å; R87-E90 PolarHBondContact O-N 2.96Å; G88-E90 VanDerWaalsContact C-N 3.3Å
91E90.6Very high89.6Confident102 Ų10261.2 Ų61.248%0.47734%0.336SS..BIsolated β-bridgetrans-86.1136177.8-147.4167.415000109.8Q70 D71 K73Q70-E91 PolarHBondContact NE2-OE1 2.98Å; D71-E91 WeakPolarHBondContact O-CA 3.23Å; D71-E91 WeakPolarHBondContact O-CG 3.42Å; K73-E91 WeakPolarHBondContact CE-OE2 3.38Å; K73-E91 HydrophobicContact CG-CB 4.09Å; K73-E91 HydrophobicContact CG-CG 4.47Å; K73-E91 IonicContact NZ-OE2 2.78Å; K73-E91 PolarHBondContact NZ-OE2 2.95Å
92S91.6Very high89.8Confident4 Ų461.8 Ų61.83%0.02834%0.338CS..PPolyproline II helixtrans-84159.2171.781.40000111Q70 D71 L85Q70-S92 WeakPolarHBondContact CA-OG 3.31Å; Q70-S92 WeakPolarHBondContact CG-O 3.48Å; Q70-S92 PolarHBondContact NE2-O 3.17Å; D71-S92 PolarHBondContact N-OG 3Å; D71-S92 PolarHBondContact O-N 3.29Å; D71-S92 VanDerWaalsContact O-N 3.11Å; L85-S92 WeakPolarHBondContact O-CB 3.49Å
93P91.8Very high90.1Very high84 Ų8456.7 Ų56.755%0.54530%0.303SS..PPolyproline II helixtrans-62.2161.7154.430.4-35.9000110.2C95P93-C95 PolarHBondContact O-N 3.03Å
94P92.4Very high90.4Very high71 Ų7151.6 Ų51.646%0.46128%0.279SS..PPolyproline II helixtrans-60.2122.5167-22.334.3000110.9W59 Y68W59-P94 HydrophobicContact CH2-CB 3.75Å; W59-P94 HydrophobicContact CH2-CG 3.93Å; W59-P94 HydrophobicContact CZ2-CB 3.79Å; W59-P94 HydrophobicContact CZ2-CG 4.02Å; Y68-P94 HydrophobicContact CD1-CB 3.99Å; Y68-P94 HydrophobicContact CG-CB 4.43Å
95C91.2Very high90.5Very high32 Ų3246.7 Ų46.722%0.21626%0.261CS..EExtended strand (participates in β ladder)trans-106.2131.2176-64.80000109.7Y68 L69 I80 L85 P93Y68-C95 CarbonylContact C-O 3.55Å; Y68-C95 WeakPolarHBondContact CA-O 3.45Å; L69-C95 PolarHBondContact N-O 3.44Å; L69-C95 PolarHBondContact O-N 3.03Å; I80-C95 HydrophobicContact CD1-CB 3.72Å; L85-C95 HydrophobicContact CD1-CB 4.38Å; L85-C95 HydrophobicContact CD2-CB 4.3Å; P93-C95 PolarHBondContact O-N 3.03Å
96E91.8Very high90.6Very high81 Ų8145.3 Ų45.338%0.37925%0.254SS..EExtended strand (participates in β ladder)trans-70.1137176.8-173.4171.4169.400110.5K66 F67 Y68K66-E96 IonicContact NZ-OE1 2.95Å; K66-E96 PolarHBondContact NZ-OE1 3.24Å; K66-E96 IonicContact NZ-OE2 2.67Å; K66-E96 PolarHBondContact NZ-OE2 3.36Å; F67-E96 WeakPolarHBondContact O-CA 3.35Å; Y68-E96 HydrophobicContact CD1-CB 4.3Å; Y68-E96 HydrophobicContact CE1-CB 3.98Å
97I91.6Very high90.8Very high3 Ų347.1 Ų47.12%0.01526%0.264CS..EExtended strand (participates in β ladder)trans-120.8143.517846.2163.4000110.5V58 F67 L69 I80 I103 I125 L127V58-I97 HydrophobicContact CG2-CD1 3.97Å; F67-I97 HydrophobicContact CB-CD1 4.06Å; F67-I97 HydrophobicContact CB-CG1 3.71Å; F67-I97 WeakPolarHBondContact O-CG1 3.42Å; F67-I97 PolarHBondContact O-N 3.33Å; L69-I97 HydrophobicContact CB-CD1 4.27Å; L69-I97 HydrophobicContact CB-CG1 4.47Å; L69-I97 HydrophobicContact CB-CG2 3.85Å; L69-I97 HydrophobicContact CD2-CG2 4.35Å; I80-I97 HydrophobicContact CD1-CG2 3.55Å; I80-I97 HydrophobicContact CG1-CG2 4.06Å; I80-I97 HydrophobicContact CG2-CG2 4.45Å; I97-I103 HydrophobicContact CG2-CD1 3.82Å; I97-I125 HydrophobicContact CD1-CD1 4.05Å; I97-L127 HydrophobicContact CB-CD1 4.36Å; I97-L127 HydrophobicContact CD1-CD1 4.09Å; I97-L127 HydrophobicContact CD1-CD2 4.33Å; I97-L127 HydrophobicContact CG1-CD1 4.08Å; I97-L127 WeakPolarHBondContact O-CD1 3.36Å
98L90.3Very high91.1Very high33 Ų3342.8 Ų42.817%0.17325%0.254CS..  trans-116.1159.5-175.9-62.4178.5000111.1G100 D101 R136 R138L98-G100 PolarHBondContact O-N 3.01Å; L98-D101 PolarHBondContact N-OD2 2.98Å; L98-D101 WeakPolarHBondContact O-CB 3.33Å; L98-D101 PolarHBondContact O-N 3.21Å; L98-R136 HydrophobicContact CD2-CB 4.38Å; L98-R138 HydrophobicContact CB-CB 4.45Å; L98-R138 HydrophobicContact CD1-CB 4.16Å; L98-R138 HydrophobicContact CD1-CG 4.12Å
99S90.8Very high91.2Very high1 Ų143.6 Ų43.61%0.00725%0.252CS..BIsolated β-bridgetrans-68.4134.9177.3-158.40000109.8K126 L127 E134 A135 R136S99-K126 VanDerWaalsContact OG-CA 3.32Å; S99-K126 WeakPolarHBondContact OG-CA 3.28Å; S99-L127 PolarHBondContact OG-N 2.75Å; S99-E134 WeakPolarHBondContact OG-CG 3.34Å; S99-E134 PolarHBondContact OG-OE1 2.94Å; S99-A135 WeakPolarHBondContact CB-O 3.4Å; S99-R136 PolarHBondContact N-O 3.3Å
100G87.8Confident91.1Very high38 Ų3843.5 Ų43.539%0.39225%0.248SC..THydrogen-bonded Turntrans92.6-8.4-173.100000115.5L98 I125L98-G100 PolarHBondContact O-N 3.01Å; G100-I125 WeakPolarHBondContact CA-O 3.42Å; G100-I125 PolarHBondContact N-O 3.15Å
101D92.4Very high90.8Very high1 Ų141.8 Ų41.81%0.00524%0.24CC..  trans-61.2144.4179-82.3-21.4000112.5I80 N81 L98 I103 T124 I125 R138I80-D101 HydrophobicContact CG2-CB 4.49Å; N81-D101 VanDerWaalsContact ND2-CG 3.34Å; N81-D101 PolarHBondContact ND2-OD1 3.3Å; L98-D101 PolarHBondContact N-OD2 2.98Å; L98-D101 WeakPolarHBondContact O-CB 3.33Å; L98-D101 PolarHBondContact O-N 3.21Å; D101-I103 HydrophobicContact CB-CD1 3.99Å; D101-T124 WeakPolarHBondContact O-CA 3.38Å; D101-I125 HydrophobicContact CB-CG2 4.08Å; D101-I125 PolarHBondContact O-N 3.43Å; D101-R138 VanDerWaalsContact OD1-CD 3.3Å; D101-R138 WeakPolarHBondContact OD1-CD 3.37Å; D101-R138 IonicContact OD1-CZ 3.82Å; D101-R138 IonicContact OD1-NE 2.65Å; D101-R138 PolarHBondContact OD1-NE 2.94Å
102I93.6Very high89.9Confident61 Ų6144.6 Ų44.631%0.31326%0.258SS..EExtended strand (participates in β ladder)trans-92.4109.7173.1-58.8175.8000108.6N81 V122 S123N81-I102 PolarHBondContact N-O 3.07Å; N81-I102 PolarHBondContact OD1-N 3.18Å; I102-V122 HydrophobicContact CG2-CG1 3.83Å; I102-S123 CarbonylContact C-O 3.56Å; I102-S123 WeakPolarHBondContact CA-O 3.44Å
103I94.8Very high88.8Confident0 Ų050.3 Ų50.30%029%0.293CS..EExtended strand (participates in β ladder)trans-101.5130.5179.5-46.6-59.4000109.3L69 I80 I97 D101 F105 S123 I125L69-I103 HydrophobicContact CD2-CD1 4.19Å; L69-I103 HydrophobicContact CD2-CG2 3.53Å; I80-I103 HydrophobicContact CB-CD1 4.4Å; I80-I103 HydrophobicContact CG1-CD1 3.96Å; I80-I103 HydrophobicContact CG2-CD1 4.14Å; I97-I103 HydrophobicContact CG2-CD1 3.82Å; D101-I103 HydrophobicContact CB-CD1 3.99Å; I103-F105 HydrophobicContact CB-CZ 4.47Å; I103-F105 HydrophobicContact CG2-CE1 3.69Å; I103-F105 HydrophobicContact CG2-CE2 3.94Å; I103-F105 HydrophobicContact CG2-CZ 3.35Å; I103-S123 PolarHBondContact N-O 3Å; I103-S123 PolarHBondContact O-N 3.03Å; I103-I125 HydrophobicContact CD1-CG2 4.23Å; I103-I125 HydrophobicContact CG1-CB 3.98Å; I103-I125 HydrophobicContact CG1-CD1 4.41Å; I103-I125 HydrophobicContact CG1-CG2 3.79Å
104Q94.9Very high87.7Confident38 Ų3855.4 Ų55.418%0.17830%0.302CS..EExtended strand (participates in β ladder)trans-125.3136.3177.5166.3179.6-18.600111.4F79 G106 I121 V122F79-Q104 HydrophobicContact CB-CB 4.18Å; F79-Q104 HydrophobicContact CD2-CB 4.44Å; F79-Q104 HydrophobicContact CD2-CG 4.05Å; F79-Q104 PolarHBondContact N-O 3.15Å; F79-Q104 PolarHBondContact O-N 2.96Å; Q104-G106 WeakPolarHBondContact CG-O 3.36Å; Q104-G106 PolarHBondContact NE2-O 2.86Å; Q104-I121 CarbonylContact C-O 3.52Å; Q104-I121 VanDerWaalsContact CA-O 3.28Å; Q104-I121 WeakPolarHBondContact CA-O 3.28Å; Q104-V122 HydrophobicContact CB-CG2 4.29Å; Q104-V122 HydrophobicContact CG-CG2 4.08Å
105F94.9Very high86.9Confident0 Ų057.1 Ų57.10%030%0.302CS..EExtended strand (participates in β ladder)trans-117111.1178.4-54.3-64.9000110.2F8 I30 F46 L51 H55 A56 L69 T78 I103 C120 I121F8-F105 HydrophobicContact CE1-CE2 4.25Å; F8-F105 HydrophobicContact CE1-CZ 4.31Å; I30-F105 HydrophobicContact CD1-CE1 3.86Å; I30-F105 HydrophobicContact CD1-CZ 3.64Å; I30-F105 HydrophobicContact CG1-CZ 4.14Å; I30-F105 HydrophobicContact CG2-CD1 3.93Å; I30-F105 HydrophobicContact CG2-CD2 4.01Å; I30-F105 HydrophobicContact CG2-CE1 3.83Å; I30-F105 HydrophobicContact CG2-CE2 3.9Å; I30-F105 HydrophobicContact CG2-CG 4.02Å; I30-F105 HydrophobicContact CG2-CZ 3.81Å; F46-F105 HydrophobicContact CE2-CD2 4.36Å; F46-F105 HydrophobicContact CE2-CE2 4.33Å; L51-F105 HydrophobicContact CD1-CB 3.95Å; L51-F105 WeakPolarHBondContact CD1-O 3.38Å; L51-F105 HydrophobicContact CD2-CB 4.29Å; L51-F105 HydrophobicContact CG-CB 4.03Å; H55-F105 AromaticContact CD2-CD1 3.95Å; A56-F105 HydrophobicContact CB-CD1 4.34Å; A56-F105 HydrophobicContact CB-CE1 3.96Å; L69-F105 HydrophobicContact CD1-CE1 4.21Å; L69-F105 HydrophobicContact CD1-CZ 4.45Å; L69-F105 HydrophobicContact CD2-CE1 4.39Å; T78-F105 HydrophobicContact CG2-CD1 3.8Å; T78-F105 HydrophobicContact CG2-CE1 3.74Å; I103-F105 HydrophobicContact CB-CZ 4.47Å; I103-F105 HydrophobicContact CG2-CE1 3.69Å; I103-F105 HydrophobicContact CG2-CE2 3.94Å; I103-F105 HydrophobicContact CG2-CZ 3.35Å; F105-C120 WeakPolarHBondContact O-CB 3.49Å; F105-I121 HydrophobicContact CB-CB 4.35Å; F105-I121 HydrophobicContact CD2-CB 4.27Å; F105-I121 HydrophobicContact CD2-CG2 3.93Å; F105-I121 PolarHBondContact N-O 3Å; F105-I121 PolarHBondContact O-N 3.26Å
106G92Very high86.4Confident0 Ų058.8 Ų58.80%031%0.311CS..SBendtrans78.4-175.1-17400000113.9H55 G77 Q104 C120H55-G106 PolarHBondContact CE1-N 2.97Å; H55-G106 VanDerWaalsContact CE1-N 3.3Å; H55-G106 PolarHBondContact NE2-N 3.24Å; G77-G106 VanDerWaalsContact O-CA 3.32Å; G77-G106 WeakPolarHBondContact O-CA 3.47Å; G77-G106 PolarHBondContact O-N 3.46Å; Q104-G106 WeakPolarHBondContact CG-O 3.36Å; Q104-G106 PolarHBondContact NE2-O 2.86Å; G106-C120 WeakPolarHBondContact O-CB 3.4Å
107V91.6Very high86Confident52 Ų5258.7 Ų58.732%0.31532%0.316SS..  trans-128.6161173.2-63.40000108.7N76 F79 V109N76-V107 HydrophobicContact CB-CG2 4.39Å; F79-V107 HydrophobicContact CE2-CG1 3.73Å; F79-V107 HydrophobicContact CZ-CG1 3.56Å; V107-V109 PolarHBondContact O-N 3.39Å
108D90.1Very high85.7Confident90 Ų9060.6 Ų60.648%0.48132%0.324SS..  trans-65.6129.6177.4-74.119.4000110.6T117 H118 G119 C120D108-T117 HydrophobicContact CB-CG2 4.23Å; D108-H118 WeakPolarHBondContact CA-O 3.42Å; D108-G119 WeakPolarHBondContact OD1-CA 3.26Å; D108-C120 PolarHBondContact OD1-N 3.35Å; D108-C120 PolarHBondContact OD1-SG 3.17Å
109V87.1Confident85.6Confident54 Ų5459.7 Ų59.733%0.32732%0.323SS..EExtended strand (participates in β ladder)trans-122.4114.2-178179.80000110.6V50 V107 H118V50-V109 HydrophobicContact CB-CG2 4.47Å; V50-V109 HydrophobicContact CG1-CB 3.78Å; V50-V109 HydrophobicContact CG1-CG2 3.71Å; V107-V109 PolarHBondContact O-N 3.39Å; V109-H118 PolarHBondContact N-O 3.45Å; V109-H118 PolarHBondContact O-N 3.26Å
110T83.4Confident85.7Confident75 Ų7559.8 Ų59.846%0.4632%0.324SS..EExtended strand (participates in β ladder)trans-86121.3174.2-48.20000110.8N112 T117T110-N112 PolarHBondContact O-N 2.98Å; T110-T117 PolarHBondContact OG1-OG1 3.43Å
111E82Confident86.1Confident57 Ų5758 Ų5827%0.26631%0.306SS..EExtended strand (participates in β ladder)trans-76.7104.1175-73.6-165150.100111.2K49 T113 R114 K115 V116 H118K49-E111 WeakPolarHBondContact CE-OE1 3.5Å; K49-E111 IonicContact NZ-OE1 2.74Å; K49-E111 PolarHBondContact NZ-OE1 3.47Å; K49-E111 IonicContact NZ-OE2 2.59Å; K49-E111 PolarHBondContact NZ-OE2 3.33Å; E111-T113 PolarHBondContact O-N 3.5Å; E111-R114 PolarHBondContact O-N 3.06Å; E111-K115 PolarHBondContact O-N 3.5Å; E111-V116 PolarHBondContact N-O 3.16Å; E111-H118 IonicContact OE2-NE2 2.61Å
112N71.5Confident86.2Confident162 Ų16258.1 Ų58.187%0.86631%0.306SS*.THydrogen-bonded Turntrans-49.4-26.1176.5-71-13.8000114.5T110T110-N112 PolarHBondContact O-N 2.98Å
113T69.9Low86.3Confident123 Ų12355.2 Ų55.276%0.75529%0.291SS*.THydrogen-bonded Turntrans-83.3-14.3179.451.60000114.3E111E111-T113 PolarHBondContact O-N 3.5Å
114R68.6Low86.2Confident192 Ų19256.4 Ų56.473%0.72530%0.298SS*.THydrogen-bonded Turntrans-142-5.2-171.2-67.9-173.1175.1-176.2-1.7115.8E111 V116E111-R114 PolarHBondContact O-N 3.06Å; R114-V116 HydrophobicContact CB-CG2 4.25Å; R114-V116 PolarHBondContact O-N 3Å; R114-V116 VanDerWaalsContact O-N 3.16Å
115K74.6Confident86.2Confident107 Ų10754.7 Ų54.747%0.46529%0.29SS..THydrogen-bonded Turntrans55.423.7-174.9-71.8179.4162.9-174.50114.6E111 E274E111-K115 PolarHBondContact O-N 3.5Å; K115-E274 WeakPolarHBondContact CD-OE1 3.39Å; K115-E274 WeakPolarHBondContact CE-OE1 3.45Å; K115-E274 IonicContact NZ-OE1 2.8Å; K115-E274 PolarHBondContact NZ-OE1 3.48Å; K115-E274 IonicContact NZ-OE2 3.67Å; K115-E274 PolarHBondContact NZ-OE2 3.3Å
116V81.3Confident86.1Confident67 Ų6758.4 Ų58.441%0.40631%0.307SS..EExtended strand (participates in β ladder)trans-93.2119.8173.6-179.80000108.9E111 R114 H118E111-V116 PolarHBondContact N-O 3.16Å; R114-V116 HydrophobicContact CB-CG2 4.25Å; R114-V116 PolarHBondContact O-N 3Å; R114-V116 VanDerWaalsContact O-N 3.16Å; V116-H118 VanDerWaalsContact CG1-CE1 3.49Å; V116-H118 WeakPolarHBondContact CG1-CE1 3.2Å
117T82.3Confident86.1Confident79 Ų7958.4 Ų58.449%0.48531%0.307SS..EExtended strand (participates in β ladder)trans-83.2123.6169.5-50.60000109.6D108 T110D108-T117 HydrophobicContact CB-CG2 4.23Å; T110-T117 PolarHBondContact OG1-OG1 3.43Å
118H87Confident86.1Confident42 Ų4258 Ų5819%0.19430%0.301CS..EExtended strand (participates in β ladder)trans-99.1102.3171.6-65.3-59.2000109.4K49 V50 D108 V109 E111 V116K49-H118 PolarHBondContact NZ-CD2 3Å; K49-H118 PolarHBondContact NZ-NE2 3.16Å; V50-H118 HydrophobicContact CG1-CB 3.84Å; V50-H118 WeakPolarHBondContact CG1-O 3.34Å; D108-H118 WeakPolarHBondContact CA-O 3.42Å; V109-H118 PolarHBondContact N-O 3.45Å; V109-H118 PolarHBondContact O-N 3.26Å; E111-H118 IonicContact OE2-NE2 2.61Å; V116-H118 VanDerWaalsContact CG1-CE1 3.49Å; V116-H118 WeakPolarHBondContact CG1-CE1 3.2Å
119G87.3Confident86Confident14 Ų1455.8 Ų55.814%0.14429%0.288CS..PPolyproline II helixtrans-63.5149.1178.500000113.5H15 C48 D108H15-G119 WeakPolarHBondContact CB-O 3.47Å; C48-G119 PolarHBondContact SG-O 3.27Å; D108-G119 WeakPolarHBondContact OD1-CA 3.26Å
120C92.9Very high86Confident4 Ų454.7 Ų54.73%0.02728%0.283CS..PPolyproline II helixtrans-79173.6173.565.40000113H15 V50 F105 G106 D108H15-C120 VanDerWaalsContact CB-O 3.26Å; H15-C120 WeakPolarHBondContact CB-O 3.45Å; H15-C120 PolarHBondContact N-O 3.12Å; V50-C120 HydrophobicContact CG2-CB 4.03Å; F105-C120 WeakPolarHBondContact O-CB 3.49Å; G106-C120 WeakPolarHBondContact O-CB 3.4Å; D108-C120 PolarHBondContact OD1-N 3.35Å; D108-C120 PolarHBondContact OD1-SG 3.17Å
121I95.1Very high85.9Confident1 Ų156.8 Ų56.81%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-93.5123.6171.7-65-69.4000108.4H15 F17 F46 C48 L51 Q104 F105H15-I121 HydrophobicContact CB-CD1 4.22Å; F17-I121 HydrophobicContact CD1-CD1 3.81Å; F17-I121 HydrophobicContact CD1-CG2 4.14Å; F17-I121 HydrophobicContact CE1-CD1 4.43Å; F17-I121 HydrophobicContact CE1-CG2 3.76Å; F17-I121 HydrophobicContact CG-CD1 4.49Å; F17-I121 HydrophobicContact CZ-CG2 4.36Å; F46-I121 HydrophobicContact CB-CD1 3.95Å; F46-I121 HydrophobicContact CB-CG1 3.96Å; F46-I121 HydrophobicContact CD1-CD1 3.97Å; F46-I121 HydrophobicContact CD1-CG1 4.29Å; F46-I121 HydrophobicContact CD1-CG2 4.18Å; F46-I121 HydrophobicContact CD2-CG1 4.5Å; F46-I121 HydrophobicContact CE1-CG2 4.12Å; F46-I121 HydrophobicContact CE2-CG2 4.46Å; F46-I121 HydrophobicContact CG-CD1 4.08Å; F46-I121 HydrophobicContact CG-CG1 4.01Å; F46-I121 HydrophobicContact CG-CG2 4.4Å; F46-I121 HydrophobicContact CZ-CG2 4.27Å; C48-I121 HydrophobicContact CB-CD1 3.88Å; C48-I121 HydrophobicContact CB-CG1 3.72Å; L51-I121 HydrophobicContact CD1-CB 4.38Å; L51-I121 HydrophobicContact CD1-CG1 3.97Å; L51-I121 HydrophobicContact CD2-CG1 4.02Å; Q104-I121 CarbonylContact C-O 3.52Å; Q104-I121 VanDerWaalsContact CA-O 3.28Å; Q104-I121 WeakPolarHBondContact CA-O 3.28Å; F105-I121 HydrophobicContact CB-CB 4.35Å; F105-I121 HydrophobicContact CD2-CB 4.27Å; F105-I121 HydrophobicContact CD2-CG2 3.93Å; F105-I121 PolarHBondContact N-O 3Å; F105-I121 PolarHBondContact O-N 3.26Å
122V95.5Very high85.7Confident2 Ų256.7 Ų56.71%0.01231%0.305CS..EExtended strand (participates in β ladder)trans-123.4123.5174.4-171.90000109R11 S14 I102 Q104R11-V122 HydrophobicContact CB-CB 4.29Å; R11-V122 HydrophobicContact CB-CG1 4.05Å; R11-V122 HydrophobicContact CG-CG1 4.21Å; R11-V122 PolarHBondContact N-O 3.37Å; R11-V122 VanDerWaalsContact N-O 3.11Å; S14-V122 VanDerWaalsContact CB-O 3.24Å; S14-V122 WeakPolarHBondContact CB-O 3.34Å; S14-V122 PolarHBondContact OG-N 3.49Å; S14-V122 PolarHBondContact OG-O 2.86Å; I102-V122 HydrophobicContact CG2-CG1 3.83Å; Q104-V122 HydrophobicContact CB-CG2 4.29Å; Q104-V122 HydrophobicContact CG-CG2 4.08Å
123S95.1Very high86.2Confident0 Ų055.1 Ų55.10%029%0.294CS..EExtended strand (participates in β ladder)trans-134.9138.2-173.5-170.40000111.9F8 T9 I102 I103F8-S123 WeakPolarHBondContact CA-OG 3.42Å; F8-S123 WeakPolarHBondContact CB-OG 3.4Å; T9-S123 PolarHBondContact N-OG 2.89Å; T9-S123 WeakPolarHBondContact O-CA 3.5Å; T9-S123 WeakPolarHBondContact O-CB 3.45Å; T9-S123 PolarHBondContact O-OG 3.29Å; I102-S123 CarbonylContact C-O 3.56Å; I102-S123 WeakPolarHBondContact CA-O 3.44Å; I103-S123 PolarHBondContact N-O 3Å; I103-S123 PolarHBondContact O-N 3.03Å
124T94.1Very high87Confident25 Ų2552.7 Ų52.715%0.15328%0.275CS..EExtended strand (participates in β ladder)trans-86.2123.4159-72.10000107.6T9 R11 D101T9-T124 PolarHBondContact N-O 3Å; T9-T124 PolarHBondContact O-N 3.24Å; T9-T124 WeakPolarHBondContact OG1-CB 3.49Å; T9-T124 PolarHBondContact OG1-O 3.25Å; R11-T124 WeakPolarHBondContact CD-OG1 3.27Å; D101-T124 WeakPolarHBondContact O-CA 3.38Å
125I94.3Very high87.5Confident2 Ų244 Ų441%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-92.1133.4177.5-156.1168.7000109.9A6 I7 F8 I97 G100 D101 I103 L127A6-I125 HydrophobicContact CB-CD1 4.24Å; A6-I125 HydrophobicContact CB-CG1 4.44Å; I7-I125 CarbonylContact O-C 3.51Å; I7-I125 WeakPolarHBondContact O-CA 3.24Å; F8-I125 HydrophobicContact CD1-CD1 4.25Å; F8-I125 HydrophobicContact CD1-CG1 4.35Å; F8-I125 HydrophobicContact CE1-CD1 3.61Å; F8-I125 HydrophobicContact CE1-CG1 4.2Å; F8-I125 HydrophobicContact CE2-CD1 4.02Å; F8-I125 HydrophobicContact CE2-CG1 4.48Å; F8-I125 HydrophobicContact CZ-CD1 3.48Å; F8-I125 VanDerWaalsContact CZ-CD1 3.48Å; F8-I125 HydrophobicContact CZ-CG1 4.27Å; I97-I125 HydrophobicContact CD1-CD1 4.05Å; G100-I125 WeakPolarHBondContact CA-O 3.42Å; G100-I125 PolarHBondContact N-O 3.15Å; D101-I125 HydrophobicContact CB-CG2 4.08Å; D101-I125 PolarHBondContact O-N 3.43Å; I103-I125 HydrophobicContact CD1-CG2 4.23Å; I103-I125 HydrophobicContact CG1-CB 3.98Å; I103-I125 HydrophobicContact CG1-CD1 4.41Å; I103-I125 HydrophobicContact CG1-CG2 3.79Å; I125-L127 HydrophobicContact CD1-CD2 3.75Å; I125-L127 HydrophobicContact CG1-CD2 3.84Å; I125-L127 HydrophobicContact CG1-CG 4.31Å; I125-L127 HydrophobicContact CG2-CG 4.38Å
126K92.9Very high87.4Confident79 Ų7947.1 Ų47.134%0.34325%0.252SS..EExtended strand (participates in β ladder)trans-109.5139.9162-79.1178.6157.9-80.30108.7A6 I7 S99 F128 E134A6-K126 CarbonylContact C-O 3.55Å; A6-K126 WeakPolarHBondContact CA-O 3.47Å; I7-K126 HydrophobicContact CB-CB 4.2Å; I7-K126 PolarHBondContact N-O 3.24Å; I7-K126 PolarHBondContact O-N 2.73Å; S99-K126 VanDerWaalsContact OG-CA 3.32Å; S99-K126 WeakPolarHBondContact OG-CA 3.28Å; K126-F128 HydrophobicContact CB-CE2 3.86Å; K126-F128 HydrophobicContact CB-CZ 4.34Å; K126-E134 IonicContact NZ-OE1 3.89Å; K126-E134 PolarHBondContact NZ-OE1 3.32Å; K126-E134 IonicContact NZ-OE2 2.62Å; K126-E134 PolarHBondContact NZ-OE2 2.9Å
127L91.8Very high86.9Confident0 Ų046.8 Ų46.80%025%0.248CC..EExtended strand (participates in β ladder)trans-124.8132-172.6-62.9173.1000108.7L5 A6 F67 I97 S99 I125 E134 A135L5-L127 CarbonylContact O-C 3.55Å; A6-L127 HydrophobicContact CB-CD2 3.73Å; F67-L127 HydrophobicContact CB-CD1 3.78Å; F67-L127 HydrophobicContact CB-CD2 4.44Å; F67-L127 HydrophobicContact CD1-CB 4.42Å; F67-L127 HydrophobicContact CD1-CD1 4.41Å; F67-L127 HydrophobicContact CD1-CD2 3.83Å; F67-L127 HydrophobicContact CD1-CG 4.45Å; F67-L127 HydrophobicContact CD2-CB 4.11Å; F67-L127 HydrophobicContact CD2-CD1 4.04Å; F67-L127 HydrophobicContact CE1-CB 4.36Å; F67-L127 HydrophobicContact CE1-CD2 4.25Å; F67-L127 HydrophobicContact CE2-CB 4.09Å; F67-L127 HydrophobicContact CG-CB 4.3Å; F67-L127 HydrophobicContact CG-CD1 3.82Å; F67-L127 HydrophobicContact CG-CD2 4.1Å; F67-L127 HydrophobicContact CG-CG 4.3Å; F67-L127 HydrophobicContact CZ-CB 4.22Å; I97-L127 HydrophobicContact CB-CD1 4.36Å; I97-L127 HydrophobicContact CD1-CD1 4.09Å; I97-L127 HydrophobicContact CD1-CD2 4.33Å; I97-L127 HydrophobicContact CG1-CD1 4.08Å; I97-L127 WeakPolarHBondContact O-CD1 3.36Å; S99-L127 PolarHBondContact OG-N 2.75Å; I125-L127 HydrophobicContact CD1-CD2 3.75Å; I125-L127 HydrophobicContact CG1-CD2 3.84Å; I125-L127 HydrophobicContact CG1-CG 4.31Å; I125-L127 HydrophobicContact CG2-CG 4.38Å; L127-E134 WeakPolarHBondContact O-CG 3.35Å; L127-A135 HydrophobicContact CB-CB 3.87Å; L127-A135 WeakPolarHBondContact O-CB 3.48Å; L127-A135 PolarHBondContact O-N 3.01Å
128F90.9Very high85.6Confident44 Ų4449.5 Ų49.519%0.19325%0.249CC..EExtended strand (participates in β ladder)trans-126131.6179.2-59.2-94.2000109.8A4 L5 I7 F67 K126 M133 E134A4-F128 WeakPolarHBondContact CA-O 3.44Å; L5-F128 HydrophobicContact CB-CB 4.25Å; L5-F128 HydrophobicContact CD2-CD2 4.36Å; L5-F128 HydrophobicContact CG-CD2 4.36Å; L5-F128 PolarHBondContact N-O 3.14Å; L5-F128 PolarHBondContact O-N 3.32Å; I7-F128 HydrophobicContact CD1-CD2 4.34Å; I7-F128 HydrophobicContact CD1-CE2 3.66Å; I7-F128 HydrophobicContact CD1-CZ 4.41Å; I7-F128 HydrophobicContact CG1-CD2 4.32Å; I7-F128 HydrophobicContact CG1-CE2 3.93Å; F67-F128 WeakPolarHBondContact CZ-O 3.37Å; K126-F128 HydrophobicContact CB-CE2 3.86Å; K126-F128 HydrophobicContact CB-CZ 4.34Å; F128-M133 CarbonylContact C-O 3.56Å; F128-M133 VanDerWaalsContact CA-O 3.29Å; F128-M133 WeakPolarHBondContact CA-O 3.45Å; F128-E134 HydrophobicContact CD1-CB 3.93Å; F128-E134 HydrophobicContact CD1-CG 4.2Å; F128-E134 HydrophobicContact CE1-CB 3.76Å; F128-E134 HydrophobicContact CE1-CG 3.86Å; F128-E134 HydrophobicContact CZ-CG 4.2Å
129L88.8Confident83.6Confident42 Ų4252 Ų5222%0.2227%0.271CS..  trans-67.9161.4175.6-68.8171.3000110.6F60 F67 D131 G132 M133 A135F60-L129 HydrophobicContact CE2-CD2 3.49Å; F60-L129 VanDerWaalsContact CE2-CD2 3.49Å; F60-L129 HydrophobicContact CZ-CD2 3.67Å; F67-L129 HydrophobicContact CE2-CD2 3.84Å; F67-L129 HydrophobicContact CZ-CD2 4.27Å; L129-D131 WeakPolarHBondContact CB-OD1 3.48Å; L129-D131 PolarHBondContact O-N 3.47Å; L129-G132 PolarHBondContact O-N 3.05Å; L129-M133 PolarHBondContact N-O 3.44Å; L129-A135 HydrophobicContact CG-CB 4.28Å
130P86.4Confident81.4Confident32 Ų3255.4 Ų55.421%0.20829%0.286CS..THydrogen-bonded Turntrans-58.8-21.1-178.6-24.833.4000115.4P2 A4 F60 G132P2-P130 WeakPolarHBondContact CA-O 3.38Å; P2-P130 HydrophobicContact CB-CB 3.82Å; P2-P130 WeakPolarHBondContact CB-O 3.33Å; A4-P130 HydrophobicContact CB-CG 4.05Å; F60-P130 HydrophobicContact CD1-CG 4.17Å; F60-P130 HydrophobicContact CE1-CG 3.53Å; F60-P130 HydrophobicContact CZ-CG 4.14Å; P130-G132 VanDerWaalsContact C-N 3.3Å
131D81.3Confident79Confident118 Ų11860 Ų6063%0.63131%0.314SS*.THydrogen-bonded Turntrans-79.1-8.3175.158.411.6000113.9L129 M133L129-D131 WeakPolarHBondContact CB-OD1 3.48Å; L129-D131 PolarHBondContact O-N 3.47Å; D131-M133 WeakPolarHBondContact OD1-CB 3.46Å; D131-M133 PolarHBondContact OD1-N 2.89Å
132G78.3Confident76.4Confident55 Ų5566.6 Ų66.657%0.56735%0.348SS*.SBendtrans92.4-1.7-177.600000115L129 P130L129-G132 PolarHBondContact O-N 3.05Å; P130-G132 VanDerWaalsContact C-N 3.3Å
133M82.9Confident73.4Confident129 Ų12975.2 Ų75.264%0.63539%0.388SS*.PPolyproline II helixtrans-72.1140.3174.4-67.3-68.9-173.200110.9F128 L129 D131 A135F128-M133 CarbonylContact C-O 3.56Å; F128-M133 VanDerWaalsContact CA-O 3.29Å; F128-M133 WeakPolarHBondContact CA-O 3.45Å; L129-M133 PolarHBondContact N-O 3.44Å; D131-M133 WeakPolarHBondContact OD1-CB 3.46Å; D131-M133 PolarHBondContact OD1-N 2.89Å; M133-A135 PolarHBondContact O-N 3.46Å
134E85.8Confident70.3Confident73 Ų7379.5 Ų79.534%0.34142%0.423SS..BIsolated β-bridgetrans-67131.2170-163167.8162.600108.9S99 K126 L127 F128S99-E134 WeakPolarHBondContact OG-CG 3.34Å; S99-E134 PolarHBondContact OG-OE1 2.94Å; K126-E134 IonicContact NZ-OE1 3.89Å; K126-E134 PolarHBondContact NZ-OE1 3.32Å; K126-E134 IonicContact NZ-OE2 2.62Å; K126-E134 PolarHBondContact NZ-OE2 2.9Å; L127-E134 WeakPolarHBondContact O-CG 3.35Å; F128-E134 HydrophobicContact CD1-CB 3.93Å; F128-E134 HydrophobicContact CD1-CG 4.2Å; F128-E134 HydrophobicContact CE1-CB 3.76Å; F128-E134 HydrophobicContact CE1-CG 3.86Å; F128-E134 HydrophobicContact CZ-CG 4.2Å
135A79.5Confident67.7Low8 Ų884.1 Ų84.17%0.06645%0.453CS..PPolyproline II helixtrans-70.8154.8-177.800000110.9F67 S99 L127 L129 M133 L137F67-A135 HydrophobicContact CD2-CB 4.09Å; F67-A135 HydrophobicContact CE2-CB 3.56Å; F67-A135 HydrophobicContact CZ-CB 4.44Å; S99-A135 WeakPolarHBondContact CB-O 3.4Å; L127-A135 HydrophobicContact CB-CB 3.87Å; L127-A135 WeakPolarHBondContact O-CB 3.48Å; L127-A135 PolarHBondContact O-N 3.01Å; L129-A135 HydrophobicContact CG-CB 4.28Å; M133-A135 PolarHBondContact O-N 3.46Å; A135-L137 PolarHBondContact O-N 2.96Å
136R72Confident64.6Low174 Ų17492 Ų9266%0.65749%0.494SS*.  trans-37.7122.4-173.8-164.9176.6-162.4154.45.9112.9L98 S99L98-R136 HydrophobicContact CD2-CB 4.38Å; S99-R136 PolarHBondContact N-O 3.3Å
137L70Confident62Low60 Ų6093.8 Ų93.831%0.31451%0.514SS..BIsolated β-bridgetrans-79.3148.5179.6-66.5162000109.5A135 S139 D140A135-L137 PolarHBondContact O-N 2.96Å; L137-S139 PolarHBondContact O-N 2.84Å; L137-D140 WeakPolarHBondContact CB-OD2 3.42Å; L137-D140 PolarHBondContact N-OD2 2.83Å; L137-D140 PolarHBondContact O-N 2.93Å; L137-D140 VanDerWaalsContact O-N 3.1Å
138R55.3Low59.4Low136 Ų13698.9 Ų98.951%0.51355%0.55SS..G310 helixtrans-66.3-15.1171.9-158.1179.1-119.9-122-1.8112.6N81 L98 D101 D140N81-R138 PolarHBondContact ND2-NE 3.29Å; N81-R138 PolarHBondContact ND2-NH2 3.25Å; L98-R138 HydrophobicContact CB-CB 4.45Å; L98-R138 HydrophobicContact CD1-CB 4.16Å; L98-R138 HydrophobicContact CD1-CG 4.12Å; D101-R138 VanDerWaalsContact OD1-CD 3.3Å; D101-R138 WeakPolarHBondContact OD1-CD 3.37Å; D101-R138 IonicContact OD1-CZ 3.82Å; D101-R138 IonicContact OD1-NE 2.65Å; D101-R138 PolarHBondContact OD1-NE 2.94Å; R138-D140 VanDerWaalsContact C-N 3.29Å
139S45.8Very low57.2Low93 Ų93102.4 Ų102.465%0.6558%0.577SS**G310 helixtrans-59.5-36.2168.9-46.40000112.9L137 V141L137-S139 PolarHBondContact O-N 2.84Å; S139-V141 PolarHBondContact O-N 3.47Å
140D40.8Very low54.5Low87 Ų87107.2 Ų107.247%0.46561%0.608SS.*G310 helixtrans-85.528-167.7-44.7-32.9000112.6L137 R138L137-D140 WeakPolarHBondContact CB-OD2 3.42Å; L137-D140 PolarHBondContact N-OD2 2.83Å; L137-D140 PolarHBondContact O-N 2.93Å; L137-D140 VanDerWaalsContact O-N 3.1Å; R138-D140 VanDerWaalsContact C-N 3.29Å
141V41.6Very low51.9Low101 Ų101111.3 Ų111.361%0.61263%0.628SS**G310 helixtrans-110.2-1.4-176-173.60000111.5S139S139-V141 PolarHBondContact O-N 3.47Å
142I41.6Very low50Low138 Ų138113.4 Ų113.471%0.70863%0.632SS**SBendtrans-122.2118.4167.8-64.3-177.9000110.1
143H32.4Very low47.6Very low184 Ų184117.5 Ų117.585%0.85265%0.645SS**  trans69.4148176.5-68.7-61.9000119.9
144A29.3Very low45Very low89 Ų89115.6 Ų115.674%0.73665%0.65SS**  trans-83.1170.4177.600000110.3
145P40.5Very low42.7Very low122 Ų122116.5 Ų116.579%0.79267%0.67SS**  trans-79.5141.8-154.931.4-35.4000114
146L28.3Very low40.7Very low167 Ų167123.9 Ų123.987%0.87471%0.708SS**  trans-128121.6156.5-150.180.6000108.8
147P38Very low38.7Very low117 Ų117122 Ų12276%0.7672%0.716SS**  trans-77.4143.8173.431.5-32.8000110.9
148S37.9Very low37.4Very low107 Ų107124.8 Ų124.875%0.74874%0.738SS**  trans-87.1166.7156.2870000108.5
149P44.7Very low37Very low119 Ų119122.7 Ų122.777%0.77374%0.744SS**  cis-121.8154.235.638.7-26.1000115.5
150V32.2Very low36.8Very low143 Ų143124.6 Ų124.687%0.86775%0.745SS**  trans-99128.8164.3179.10000108.5
151D31.5Very low37.4Very low117 Ų117129 Ų12963%0.62676%0.756SS**  trans-121.8123.1165.4-16616.8000109.3
152K41.1Very low37.8Very low163 Ų163128.1 Ų128.171%0.70975%0.754SS**  trans41121.6169.8-60.4146-167.6122.90119.1
153V28.6Very low38.6Very low141 Ų141128 Ų12886%0.85575%0.75SS**  -168.1151.1117.8134.50000112
154A28.7Very low40.4Very low89 Ų89124.9 Ų124.974%0.73674%0.736SS**  trans39.2108.2164.100000120.1
155A36.8Very low42.2Very low92 Ų92125.4 Ų125.476%0.7673%0.726SS**  trans-73.8127.9147.100000109.8
156N37.7Very low43.7Very low163 Ų163126.3 Ų126.387%0.87272%0.718SS**  trans179.565149.1-93.8-22000113.1
157T30.2Very low46.1Very low134 Ų134122.3 Ų122.382%0.82270%0.695SS**  trans-139.6124.2165.143.40000110.7S159T157-S159 PolarHBondContact O-N 2.68Å
158P42.1Very low48Very low119 Ų119121.8 Ų121.877%0.77369%0.685SS**  trans-82.5103.8-173.331.2-34.3000113.6M160P158-M160 PolarHBondContact O-N 3.03Å
159S47.2Very low49.9Very low92 Ų92119.6 Ų119.664%0.64367%0.67SS**  trans39.943.1137.7-167.60000120.1T157T157-S159 PolarHBondContact O-N 2.68Å
160M41.8Very low51.8Low133 Ų133118.1 Ų118.166%0.65565%0.653SS**SBendtrans-76.9-45.9166.7-72.4-14564.600112.6P158 S162 Q163 E164P158-M160 PolarHBondContact O-N 3.03Å; M160-S162 PolarHBondContact O-N 2.93Å; M160-S162 VanDerWaalsContact O-N 3.09Å; M160-Q163 PolarHBondContact O-N 3.44Å; M160-E164 PolarHBondContact O-N 3.1Å
161Y53Low54.4Low180 Ų180117.6 Ų117.671%0.70664%0.636SS**Hα-helixtrans-56.2-32.2-173.7-160-107.2000114.4L165Y161-L165 HydrophobicContact CD1-CD1 4.38Å; Y161-L165 HydrophobicContact CE1-CD1 3.84Å; Y161-L165 VanDerWaalsContact O-CB 3.27Å; Y161-L165 WeakPolarHBondContact O-CB 3.41Å; Y161-L165 PolarHBondContact O-N 3.46Å; Y161-L165 VanDerWaalsContact O-N 3.13Å
162S50.8Low56.9Low81 Ų81117.6 Ų117.657%0.56664%0.635SS**Hα-helixtrans-66.1-37.1178.4-171.10000112.8M160 F166M160-S162 PolarHBondContact O-N 2.93Å; M160-S162 VanDerWaalsContact O-N 3.09Å; S162-F166 WeakPolarHBondContact O-CB 3.46Å; S162-F166 PolarHBondContact O-N 2.86Å
163Q58.8Low58.9Low136 Ų136116.3 Ų116.364%0.63663%0.632SS**Hα-helixtrans-74.6-42.2-177.4-175.4170.6-15.900111.4M160 F166 Q167M160-Q163 PolarHBondContact O-N 3.44Å; Q163-F166 PolarHBondContact O-N 3.2Å; Q163-Q167 VanDerWaalsContact O-CB 3.29Å; Q163-Q167 WeakPolarHBondContact O-CB 3.23Å; Q163-Q167 PolarHBondContact O-N 2.92Å
164E69.1Low61.7Low118 Ų118113.2 Ų113.255%0.55161%0.608SS**Hα-helixtrans-64.4-41.2176.3-64.6176.4161.300111.4M160 Q167 L168M160-E164 PolarHBondContact O-N 3.1Å; E164-Q167 PolarHBondContact O-N 3.45Å; E164-L168 WeakPolarHBondContact O-CB 3.5Å; E164-L168 PolarHBondContact O-N 3.06Å
165L67.6Low64.4Low100 Ų100111.6 Ų111.652%0.52459%0.594SS.*Hα-helixtrans-71.7-34.3179.3-159.6142.8000112.3Y161 S169Y161-L165 HydrophobicContact CD1-CD1 4.38Å; Y161-L165 HydrophobicContact CE1-CD1 3.84Å; Y161-L165 VanDerWaalsContact O-CB 3.27Å; Y161-L165 WeakPolarHBondContact O-CB 3.41Å; Y161-L165 PolarHBondContact O-N 3.46Å; Y161-L165 VanDerWaalsContact O-N 3.13Å; L165-S169 WeakPolarHBondContact O-CB 3.47Å; L165-S169 PolarHBondContact O-N 3.26Å
166F72.4Confident66.8Low142 Ų142111.5 Ų111.562%0.62358%0.581SS**Hα-helixtrans-65-44.6168.8-179-91.7000111.9S162 Q163 S169 Q170S162-F166 WeakPolarHBondContact O-CB 3.46Å; S162-F166 PolarHBondContact O-N 2.86Å; Q163-F166 PolarHBondContact O-N 3.2Å; F166-S169 WeakPolarHBondContact O-CB 3.44Å; F166-S169 PolarHBondContact O-N 3.26Å; F166-Q170 PolarHBondContact O-N 2.89Å
167Q78.8Confident69.1Low82 Ų82109.2 Ų109.238%0.38357%0.565SS.*Hα-helixtrans-67.8-36.3-179.7-171.3168.4-14.500112Q163 E164 Q170 Y171Q163-Q167 VanDerWaalsContact O-CB 3.29Å; Q163-Q167 WeakPolarHBondContact O-CB 3.23Å; Q163-Q167 PolarHBondContact O-N 2.92Å; E164-Q167 PolarHBondContact O-N 3.45Å; Q167-Q170 PolarHBondContact O-N 2.95Å; Q167-Y171 HydrophobicContact CG-CD2 4.26Å; Q167-Y171 HydrophobicContact CG-CE2 3.64Å; Q167-Y171 PolarHBondContact NE2-OH 3.42Å; Q167-Y171 VanDerWaalsContact O-CD2 3.23Å; Q167-Y171 WeakPolarHBondContact O-CD2 3.48Å; Q167-Y171 PolarHBondContact O-N 3.42Å
168L76.9Confident72Confident106 Ų106109.4 Ų109.456%0.55555%0.55SS**Hα-helixtrans-64.7-42.7170.4-179.361.4000112E164 Q170 Y171 L172E164-L168 WeakPolarHBondContact O-CB 3.5Å; E164-L168 PolarHBondContact O-N 3.06Å; L168-Q170 VanDerWaalsContact C-N 3.33Å; L168-Q170 PolarHBondContact O-N 2.91Å; L168-Y171 PolarHBondContact O-N 2.94Å; L168-L172 HydrophobicContact CD1-CD1 4.15Å; L168-L172 HydrophobicContact CG-CD1 4.38Å; L168-L172 PolarHBondContact O-N 3.3Å
169S78.3Confident74.1Confident61 Ų61109.2 Ų109.243%0.42754%0.539SS..Hα-helixtrans-59.7-43.6174-176.70000111.7L165 F166 L172 Q173L165-S169 WeakPolarHBondContact O-CB 3.47Å; L165-S169 PolarHBondContact O-N 3.26Å; F166-S169 WeakPolarHBondContact O-CB 3.44Å; F166-S169 PolarHBondContact O-N 3.26Å; S169-L172 PolarHBondContact O-N 2.92Å; S169-Q173 PolarHBondContact O-N 3.37Å
170Q84.4Confident76.1Confident89 Ų89109.6 Ų109.642%0.41653%0.531SS..Hα-helixtrans-60.8-46.5174.7-174.6175.2-5.500111.4F166 Q167 L168 L172 Q173 E174F166-Q170 PolarHBondContact O-N 2.89Å; Q167-Q170 PolarHBondContact O-N 2.95Å; L168-Q170 VanDerWaalsContact C-N 3.33Å; L168-Q170 PolarHBondContact O-N 2.91Å; Q170-L172 VanDerWaalsContact C-N 3.33Å; Q170-L172 PolarHBondContact O-N 2.9Å; Q170-Q173 PolarHBondContact O-N 2.84Å; Q170-E174 WeakPolarHBondContact O-CB 3.44Å; Q170-E174 PolarHBondContact O-N 3.41Å
171Y87.1Confident78.3Confident131 Ų131107.2 Ų107.251%0.51452%0.519SS..Hα-helixtrans-63.6-34.8175.2-67.1-40.9000113.1Q167 L168 E174 A175Q167-Y171 HydrophobicContact CG-CD2 4.26Å; Q167-Y171 HydrophobicContact CG-CE2 3.64Å; Q167-Y171 PolarHBondContact NE2-OH 3.42Å; Q167-Y171 VanDerWaalsContact O-CD2 3.23Å; Q167-Y171 WeakPolarHBondContact O-CD2 3.48Å; Q167-Y171 PolarHBondContact O-N 3.42Å; L168-Y171 PolarHBondContact O-N 2.94Å; Y171-E174 PolarHBondContact O-N 2.88Å; Y171-A175 WeakPolarHBondContact O-CB 3.45Å; Y171-A175 PolarHBondContact O-N 2.92Å
172L83.9Confident80Confident117 Ų117104.1 Ų104.161%0.61351%0.514SS*.Hα-helixtrans-64.9-45.3174.2-115.891.4000111.9L168 S169 Q170 E174 A175 L176L168-L172 HydrophobicContact CD1-CD1 4.15Å; L168-L172 HydrophobicContact CG-CD1 4.38Å; L168-L172 PolarHBondContact O-N 3.3Å; S169-L172 PolarHBondContact O-N 2.92Å; Q170-L172 VanDerWaalsContact C-N 3.33Å; Q170-L172 PolarHBondContact O-N 2.9Å; L172-E174 VanDerWaalsContact C-N 3.32Å; L172-E174 PolarHBondContact O-N 3.24Å; L172-A175 PolarHBondContact O-N 2.6Å; L172-L176 WeakPolarHBondContact O-CB 3.14Å; L172-L176 PolarHBondContact O-N 2.9Å
173Q82.5Confident81.7Confident136 Ų136106.3 Ų106.364%0.63652%0.515SS*.Hα-helixtrans-62.9-40.4174.8-71.8-173.2-2200111.5S169 Q170 A175 H177S169-Q173 PolarHBondContact O-N 3.37Å; Q170-Q173 PolarHBondContact O-N 2.84Å; Q173-A175 VanDerWaalsContact C-N 3.34Å; Q173-H177 WeakPolarHBondContact O-CB 3.44Å; Q173-H177 PolarHBondContact O-N 2.92Å
174E87.6Confident83.2Confident76 Ų76106.2 Ų106.236%0.35552%0.515SS..Hα-helixtrans-67.9-30.5176.2-107.8-162-122.400113.3Q170 Y171 L172 R178Q170-E174 WeakPolarHBondContact O-CB 3.44Å; Q170-E174 PolarHBondContact O-N 3.41Å; Y171-E174 PolarHBondContact O-N 2.88Å; L172-E174 VanDerWaalsContact C-N 3.32Å; L172-E174 PolarHBondContact O-N 3.24Å; E174-R178 VanDerWaalsContact CB-NH1 3.3Å; E174-R178 WeakPolarHBondContact O-CG 3.3Å; E174-R178 PolarHBondContact O-N 3.11Å; E174-R178 PolarHBondContact O-NH1 3.24Å; E174-R178 IonicContact OE2-CZ 3.67Å; E174-R178 IonicContact OE2-NH1 2.71Å; E174-R178 PolarHBondContact OE2-NH1 2.94Å; E174-R178 IonicContact OE2-NH2 3.99Å; E174-R178 PolarHBondContact OE2-NH2 3.47Å
175A84.6Confident84.2Confident55 Ų55105.5 Ų105.546%0.45551%0.51SS..Hα-helixtrans-71.9-51.6172.600000110.8Y171 L172 Q173 H177 R178 E179Y171-A175 WeakPolarHBondContact O-CB 3.45Å; Y171-A175 PolarHBondContact O-N 2.92Å; L172-A175 PolarHBondContact O-N 2.6Å; Q173-A175 VanDerWaalsContact C-N 3.34Å; A175-H177 VanDerWaalsContact C-N 3.3Å; A175-H177 PolarHBondContact O-N 3.29Å; A175-R178 WeakPolarHBondContact O-CA 3.49Å; A175-R178 WeakPolarHBondContact O-CB 3.47Å; A175-R178 PolarHBondContact O-N 3.47Å; A175-E179 PolarHBondContact O-N 3.3Å
176L87.3Confident85.4Confident90 Ų90105.4 Ų105.447%0.47151%0.51SS..Hα-helixtrans-57.4-41.2178.3-176.169000112.1L172 E179 Q180L172-L176 WeakPolarHBondContact O-CB 3.14Å; L172-L176 PolarHBondContact O-N 2.9Å; L176-E179 PolarHBondContact O-N 3.46Å; L176-Q180 WeakPolarHBondContact O-CG 3.36Å; L176-Q180 PolarHBondContact O-N 3.24Å
177H87.1Confident86.1Confident115 Ų115100.9 Ų100.953%0.53250%0.498SS..Hα-helixtrans-68-35.2176.7-173.458.9000112.5Q173 A175 M181Q173-H177 WeakPolarHBondContact O-CB 3.44Å; Q173-H177 PolarHBondContact O-N 2.92Å; A175-H177 VanDerWaalsContact C-N 3.3Å; A175-H177 PolarHBondContact O-N 3.29Å; H177-M181 WeakPolarHBondContact O-CB 3.49Å; H177-M181 PolarHBondContact O-N 3.4Å; H177-M181 VanDerWaalsContact O-N 3.11Å
178R90.3Very high86.6Confident139 Ų139100.2 Ų100.253%0.52550%0.5SS..Hα-helixtrans-68.1-39.2172.5-77.3178.9-175.883.2-7.5111.9E174 A175 M181 L182E174-R178 VanDerWaalsContact CB-NH1 3.3Å; E174-R178 WeakPolarHBondContact O-CG 3.3Å; E174-R178 PolarHBondContact O-N 3.11Å; E174-R178 PolarHBondContact O-NH1 3.24Å; E174-R178 IonicContact OE2-CZ 3.67Å; E174-R178 IonicContact OE2-NH1 2.71Å; E174-R178 PolarHBondContact OE2-NH1 2.94Å; E174-R178 IonicContact OE2-NH2 3.99Å; E174-R178 PolarHBondContact OE2-NH2 3.47Å; A175-R178 WeakPolarHBondContact O-CA 3.49Å; A175-R178 WeakPolarHBondContact O-CB 3.47Å; A175-R178 PolarHBondContact O-N 3.47Å; R178-M181 CarbonylContact O-C 3.6Å; R178-M181 PolarHBondContact O-N 2.84Å; R178-L182 WeakPolarHBondContact O-CG 3.27Å; R178-L182 PolarHBondContact O-N 3.1Å
179E87Confident87.3Confident115 Ų115100.8 Ų100.854%0.53750%0.503SS..Hα-helixtrans-60.7-53.3176.2-176.4171.2-140.700111.1A175 L176 M181 L182 E183A175-E179 PolarHBondContact O-N 3.3Å; L176-E179 PolarHBondContact O-N 3.46Å; E179-M181 VanDerWaalsContact C-N 3.26Å; E179-M181 PolarHBondContact O-N 3.01Å; E179-L182 CarbonylContact O-C 3.57Å; E179-L182 WeakPolarHBondContact O-CA 3.32Å; E179-L182 WeakPolarHBondContact O-CB 3.34Å; E179-L182 PolarHBondContact O-N 3.37Å; E179-E183 PolarHBondContact O-N 3.41Å
180Q88.1Confident87.9Confident99 Ų99103.6 Ų103.646%0.46351%0.509SS..Hα-helixtrans-55.7-39.9173.7-70.5174.2-7.600112.4L176 L182 E183 Q184L176-Q180 WeakPolarHBondContact O-CG 3.36Å; L176-Q180 PolarHBondContact O-N 3.24Å; Q180-L182 VanDerWaalsContact C-N 3.28Å; Q180-L182 PolarHBondContact O-N 3.07Å; Q180-E183 PolarHBondContact O-N 3.36Å; Q180-Q184 VanDerWaalsContact O-CB 3.31Å; Q180-Q184 WeakPolarHBondContact O-CB 3.42Å; Q180-Q184 PolarHBondContact O-N 3.35Å
181M88.3Confident88.3Confident83 Ų83107.6 Ų107.641%0.40952%0.52SS..Hα-helixtrans-69.9-18.4174.6-104.3-105.6-92.300114.4H177 R178 E179 K185H177-M181 WeakPolarHBondContact O-CB 3.49Å; H177-M181 PolarHBondContact O-N 3.4Å; H177-M181 VanDerWaalsContact O-N 3.11Å; R178-M181 CarbonylContact O-C 3.6Å; R178-M181 PolarHBondContact O-N 2.84Å; E179-M181 VanDerWaalsContact C-N 3.26Å; E179-M181 PolarHBondContact O-N 3.01Å; M181-K185 WeakPolarHBondContact O-CD 3.42Å; M181-K185 WeakPolarHBondContact O-CE 3.49Å; M181-K185 WeakPolarHBondContact O-CG 3.43Å; M181-K185 PolarHBondContact O-NZ 2.88Å; M181-K185 PolarHBondContact SD-NZ 3.28Å
182L88.4Confident88.5Confident115 Ų115105.9 Ų105.960%0.60252%0.519SS*.Hα-helixtrans-87.2-44172-73.7167.3000110.5R178 E179 Q180 Q184 K185 L186R178-L182 WeakPolarHBondContact O-CG 3.27Å; R178-L182 PolarHBondContact O-N 3.1Å; E179-L182 CarbonylContact O-C 3.57Å; E179-L182 WeakPolarHBondContact O-CA 3.32Å; E179-L182 WeakPolarHBondContact O-CB 3.34Å; E179-L182 PolarHBondContact O-N 3.37Å; Q180-L182 VanDerWaalsContact C-N 3.28Å; Q180-L182 PolarHBondContact O-N 3.07Å; L182-Q184 PolarHBondContact O-N 3.46Å; L182-K185 PolarHBondContact O-N 3.28Å; L182-L186 VanDerWaalsContact O-CB 3.32Å; L182-L186 WeakPolarHBondContact O-CB 3.22Å; L182-L186 PolarHBondContact O-N 3.3Å
183E87.6Confident89Confident128 Ų128106 Ų10660%0.59852%0.52SS*.Hα-helixtrans-55.5-48.4172.1-68.4-170122.900111.6E179 Q180 K185 L186 A187E179-E183 PolarHBondContact O-N 3.41Å; Q180-E183 PolarHBondContact O-N 3.36Å; E183-K185 VanDerWaalsContact C-N 3.3Å; E183-K185 PolarHBondContact O-N 3.01Å; E183-L186 PolarHBondContact O-N 3.24Å; E183-L186 VanDerWaalsContact O-N 3.17Å; E183-A187 WeakPolarHBondContact O-CB 3.23Å; E183-A187 PolarHBondContact O-N 3.03Å
184Q89.8Confident89.4Confident134 Ų134102.2 Ų102.263%0.62651%0.512SS*.Hα-helixtrans-64.4-34.8-179.6-165.3178.137.800112.2Q180 L182 T188Q180-Q184 VanDerWaalsContact O-CB 3.31Å; Q180-Q184 WeakPolarHBondContact O-CB 3.42Å; Q180-Q184 PolarHBondContact O-N 3.35Å; L182-Q184 PolarHBondContact O-N 3.46Å; Q184-T188 WeakPolarHBondContact O-CB 3.27Å; Q184-T188 PolarHBondContact O-N 2.89Å; Q184-T188 VanDerWaalsContact O-N 3.07Å; Q184-T188 PolarHBondContact O-OG1 3.29Å
185K91Very high89.7Confident102 Ų102103.1 Ų103.144%0.44352%0.518SS..Hα-helixtrans-70.8-40.9172.9-74.9169.4-164.9140.80111.8M181 L182 E183 T188 L189M181-K185 WeakPolarHBondContact O-CD 3.42Å; M181-K185 WeakPolarHBondContact O-CE 3.49Å; M181-K185 WeakPolarHBondContact O-CG 3.43Å; M181-K185 PolarHBondContact O-NZ 2.88Å; M181-K185 PolarHBondContact SD-NZ 3.28Å; L182-K185 PolarHBondContact O-N 3.28Å; E183-K185 VanDerWaalsContact C-N 3.3Å; E183-K185 PolarHBondContact O-N 3.01Å; K185-T188 WeakPolarHBondContact O-CB 3.4Å; K185-T188 PolarHBondContact O-N 2.93Å; K185-L189 WeakPolarHBondContact O-CB 3.45Å; K185-L189 WeakPolarHBondContact O-CG 3.32Å; K185-L189 PolarHBondContact O-N 2.96Å
186L91.3Very high90Very high99 Ų99104.9 Ų104.952%0.51852%0.524SS..Hα-helixtrans-65.7-43.4178.5-174.1137.4000111.2L182 E183 T188 L189 Q190L182-L186 VanDerWaalsContact O-CB 3.32Å; L182-L186 WeakPolarHBondContact O-CB 3.22Å; L182-L186 PolarHBondContact O-N 3.3Å; E183-L186 PolarHBondContact O-N 3.24Å; E183-L186 VanDerWaalsContact O-N 3.17Å; L186-T188 VanDerWaalsContact C-N 3.31Å; L186-T188 PolarHBondContact O-N 2.87Å; L186-L189 PolarHBondContact O-N 3.17Å; L186-Q190 HydrophobicContact CD2-CG 4.43Å; L186-Q190 WeakPolarHBondContact O-CB 3.33Å; L186-Q190 VanDerWaalsContact O-CG 3.3Å; L186-Q190 WeakPolarHBondContact O-CG 3.31Å; L186-Q190 PolarHBondContact O-N 3.45Å
187A88.4Confident90.3Very high46 Ų46105.5 Ų105.538%0.3852%0.524SS..Hα-helixtrans-62.4-35.9171.600000112.6E183 R191E183-A187 WeakPolarHBondContact O-CB 3.23Å; E183-A187 PolarHBondContact O-N 3.03Å; A187-R191 WeakPolarHBondContact O-CB 3.21Å; A187-R191 PolarHBondContact O-N 2.74Å
188T89.7Confident90.5Very high68 Ų68106.5 Ų106.542%0.41753%0.529SS..Hα-helixtrans-68.6-42.6174.6-58.50000111.5Q184 K185 L186 R191 L192Q184-T188 WeakPolarHBondContact O-CB 3.27Å; Q184-T188 PolarHBondContact O-N 2.89Å; Q184-T188 VanDerWaalsContact O-N 3.07Å; Q184-T188 PolarHBondContact O-OG1 3.29Å; K185-T188 WeakPolarHBondContact O-CB 3.4Å; K185-T188 PolarHBondContact O-N 2.93Å; L186-T188 VanDerWaalsContact C-N 3.31Å; L186-T188 PolarHBondContact O-N 2.87Å; T188-R191 PolarHBondContact O-N 3.38Å; T188-L192 HydrophobicContact CG2-CD1 4.26Å; T188-L192 WeakPolarHBondContact O-CG 3.4Å; T188-L192 PolarHBondContact O-N 2.68Å
189L91.1Very high90.4Very high118 Ų118102.5 Ų102.562%0.61853%0.526SS*.Hα-helixtrans-65.8-40.7175.6-73.5168.9000112.1K185 L186 R191 L192 L193K185-L189 WeakPolarHBondContact O-CB 3.45Å; K185-L189 WeakPolarHBondContact O-CG 3.32Å; K185-L189 PolarHBondContact O-N 2.96Å; L186-L189 PolarHBondContact O-N 3.17Å; L189-R191 VanDerWaalsContact C-N 3.35Å; L189-L192 PolarHBondContact O-N 2.62Å; L189-L193 VanDerWaalsContact O-CB 3.32Å; L189-L193 WeakPolarHBondContact O-CB 3.41Å; L189-L193 PolarHBondContact O-N 3.48Å
190Q90.3Very high90.6Very high120 Ų12099.1 Ų99.156%0.56152%0.515SS*.Hα-helixtrans-61.2-42.1173-75.7173.2-19.500111.8L186 L193 A194L186-Q190 HydrophobicContact CD2-CG 4.43Å; L186-Q190 WeakPolarHBondContact O-CB 3.33Å; L186-Q190 VanDerWaalsContact O-CG 3.3Å; L186-Q190 WeakPolarHBondContact O-CG 3.31Å; L186-Q190 PolarHBondContact O-N 3.45Å; Q190-L193 PolarHBondContact O-N 2.8Å; Q190-A194 WeakPolarHBondContact O-CB 3.41Å; Q190-A194 PolarHBondContact O-N 3.21Å
191R92.6Very high90.7Very high173 Ų17398.4 Ų98.465%0.65351%0.514SS*.Hα-helixtrans-65.8-42.3175.7-173.3179-66.4145.80.6112.1A187 T188 L189 A194 I195A187-R191 WeakPolarHBondContact O-CB 3.21Å; A187-R191 PolarHBondContact O-N 2.74Å; T188-R191 PolarHBondContact O-N 3.38Å; L189-R191 VanDerWaalsContact C-N 3.35Å; R191-A194 PolarHBondContact O-N 2.79Å; R191-I195 HydrophobicContact CG-CD1 4.02Å; R191-I195 WeakPolarHBondContact O-CD1 3.49Å; R191-I195 VanDerWaalsContact O-CG1 3.28Å; R191-I195 WeakPolarHBondContact O-CG1 3.49Å; R191-I195 PolarHBondContact O-N 3.06Å
192L92Very high90.8Very high95 Ų9598.7 Ų98.750%0.49752%0.521SS..Hα-helixtrans-62.9-45.1174.8-75.2168.5000111.5T188 L189 A194 I195 T196T188-L192 HydrophobicContact CG2-CD1 4.26Å; T188-L192 WeakPolarHBondContact O-CG 3.4Å; T188-L192 PolarHBondContact O-N 2.68Å; L189-L192 PolarHBondContact O-N 2.62Å; L192-A194 VanDerWaalsContact C-N 3.34Å; L192-A194 PolarHBondContact O-N 3.35Å; L192-I195 PolarHBondContact O-N 3.04Å; L192-T196 PolarHBondContact O-N 3.38Å; L192-T196 PolarHBondContact O-OG1 3.07Å; L192-T196 VanDerWaalsContact O-OG1 3.1Å
193L93.3Very high90.8Very high120 Ų12096.7 Ų96.763%0.62852%0.517SS*.Hα-helixtrans-57.8-45.4176.1-176.669.1000111.5L189 Q190 T196 Q197L189-L193 VanDerWaalsContact O-CB 3.32Å; L189-L193 WeakPolarHBondContact O-CB 3.41Å; L189-L193 PolarHBondContact O-N 3.48Å; Q190-L193 PolarHBondContact O-N 2.8Å; L193-T196 PolarHBondContact O-N 2.95Å; L193-Q197 WeakPolarHBondContact O-CB 3.34Å; L193-Q197 PolarHBondContact O-N 3.48Å
194A92.1Very high90.8Very high57 Ų5798.8 Ų98.847%0.47152%0.519SS..Hα-helixtrans-62.4-42.1176.600000112.5Q190 R191 L192 Q197 E198Q190-A194 WeakPolarHBondContact O-CB 3.41Å; Q190-A194 PolarHBondContact O-N 3.21Å; R191-A194 PolarHBondContact O-N 2.79Å; L192-A194 VanDerWaalsContact C-N 3.34Å; L192-A194 PolarHBondContact O-N 3.35Å; A194-Q197 WeakPolarHBondContact O-CB 3.48Å; A194-Q197 PolarHBondContact O-N 2.83Å; A194-E198 WeakPolarHBondContact O-CB 3.29Å; A194-E198 PolarHBondContact O-N 3.17Å
195I93.1Very high90.9Very high94 Ų9496.6 Ų96.648%0.48251%0.509SS..Hα-helixtrans-65.9-40.4176.2-68.1164.4000111.1R191 L192 A199R191-I195 HydrophobicContact CG-CD1 4.02Å; R191-I195 WeakPolarHBondContact O-CD1 3.49Å; R191-I195 VanDerWaalsContact O-CG1 3.28Å; R191-I195 WeakPolarHBondContact O-CG1 3.49Å; R191-I195 PolarHBondContact O-N 3.06Å; L192-I195 PolarHBondContact O-N 3.04Å; I195-A199 VanDerWaalsContact O-CB 3.23Å; I195-A199 WeakPolarHBondContact O-CB 3.48Å; I195-A199 PolarHBondContact O-N 3.47Å
196T91.5Very high90.7Very high92 Ų9294.6 Ų94.656%0.56451%0.511SS*.Hα-helixtrans-67.8-37.8175.7-570000112L192 L193 S200L192-T196 PolarHBondContact O-N 3.38Å; L192-T196 PolarHBondContact O-OG1 3.07Å; L192-T196 VanDerWaalsContact O-OG1 3.1Å; L193-T196 PolarHBondContact O-N 2.95Å; T196-S200 WeakPolarHBondContact O-CB 3.37Å; T196-S200 PolarHBondContact O-N 2.98Å; T196-S200 PolarHBondContact O-OG 3.31Å
197Q92.8Very high90.5Very high104 Ų10494.4 Ų94.449%0.48651%0.511SS..Hα-helixtrans-59.4-55.9173-17572.35900110.3L193 A194 A199 S200 D201L193-Q197 WeakPolarHBondContact O-CB 3.34Å; L193-Q197 PolarHBondContact O-N 3.48Å; A194-Q197 WeakPolarHBondContact O-CB 3.48Å; A194-Q197 PolarHBondContact O-N 2.83Å; Q197-A199 VanDerWaalsContact C-N 3.34Å; Q197-A199 PolarHBondContact O-N 2.95Å; Q197-S200 WeakPolarHBondContact O-CA 3.44Å; Q197-S200 PolarHBondContact O-N 3.39Å; Q197-S200 PolarHBondContact O-OG 2.96Å; Q197-D201 PolarHBondContact NE2-OD1 3.39Å; Q197-D201 PolarHBondContact NE2-OD2 3.36Å; Q197-D201 VanDerWaalsContact O-CG 3.3Å; Q197-D201 PolarHBondContact O-N 3.35Å
198E92.4Very high90.5Very high135 Ų13596 Ų9663%0.63151%0.512SS*.Hα-helixtrans-59.5-39.8179.3-175.5174.4-157.800112.8A194 D201 T202A194-E198 WeakPolarHBondContact O-CB 3.29Å; A194-E198 PolarHBondContact O-N 3.17Å; E198-D201 PolarHBondContact O-N 2.9Å; E198-T202 WeakPolarHBondContact O-CB 3.23Å; E198-T202 PolarHBondContact O-N 2.83Å; E198-T202 PolarHBondContact O-OG1 2.85Å
199A88.2Confident90.4Very high55 Ų5595.7 Ų95.746%0.45551%0.507SS..Hα-helixtrans-66-35.4173.600000112.7I195 Q197 T202 S203I195-A199 VanDerWaalsContact O-CB 3.23Å; I195-A199 WeakPolarHBondContact O-CB 3.48Å; I195-A199 PolarHBondContact O-N 3.47Å; Q197-A199 VanDerWaalsContact C-N 3.34Å; Q197-A199 PolarHBondContact O-N 2.95Å; A199-T202 WeakPolarHBondContact CA-OG1 3.37Å; A199-T202 PolarHBondContact O-OG1 2.85Å; A199-S203 WeakPolarHBondContact O-CB 3.33Å; A199-S203 PolarHBondContact O-N 3.43Å; A199-S203 VanDerWaalsContact O-N 3.1Å
200S89.9Confident90.4Very high45 Ų4595.6 Ų95.632%0.31550%0.504SS..Hα-helixtrans-72.3-42.1175.375.70000111.9T196 Q197 T202 S203 W204T196-S200 WeakPolarHBondContact O-CB 3.37Å; T196-S200 PolarHBondContact O-N 2.98Å; T196-S200 PolarHBondContact O-OG 3.31Å; Q197-S200 WeakPolarHBondContact O-CA 3.44Å; Q197-S200 PolarHBondContact O-N 3.39Å; Q197-S200 PolarHBondContact O-OG 2.96Å; S200-T202 PolarHBondContact O-N 3.02Å; S200-S203 WeakPolarHBondContact O-CB 3.46Å; S200-S203 PolarHBondContact O-N 3.48Å; S200-W204 PolarHBondContact O-N 3.46Å
201D90.4Very high90.4Very high84 Ų8494.8 Ų94.845%0.44950%0.504SS..Hα-helixtrans-66.5-39.3179.8-64.8-29.9000111Q197 E198 W204 Q205Q197-D201 PolarHBondContact NE2-OD1 3.39Å; Q197-D201 PolarHBondContact NE2-OD2 3.36Å; Q197-D201 VanDerWaalsContact O-CG 3.3Å; Q197-D201 PolarHBondContact O-N 3.35Å; E198-D201 PolarHBondContact O-N 2.9Å; D201-W204 PolarHBondContact O-N 3.47Å; D201-Q205 WeakPolarHBondContact O-CB 3.44Å; D201-Q205 PolarHBondContact O-N 3.14Å
202T90.7Very high90.3Very high88 Ų8893.7 Ų93.754%0.5450%0.499SS..Hα-helixtrans-68.5-33.6172.345.60000113.1E198 A199 S200 Q205 A206E198-T202 WeakPolarHBondContact O-CB 3.23Å; E198-T202 PolarHBondContact O-N 2.83Å; E198-T202 PolarHBondContact O-OG1 2.85Å; A199-T202 WeakPolarHBondContact CA-OG1 3.37Å; A199-T202 PolarHBondContact O-OG1 2.85Å; S200-T202 PolarHBondContact O-N 3.02Å; T202-Q205 PolarHBondContact O-N 3.02Å; T202-A206 WeakPolarHBondContact O-CB 3.27Å; T202-A206 PolarHBondContact O-N 3.1Å
203S88.1Confident90.2Very high74 Ų7494.2 Ų94.252%0.51750%0.502SS..Hα-helixtrans-67.2-41.6173.3-174.50000112.3A199 S200 A206 L207A199-S203 WeakPolarHBondContact O-CB 3.33Å; A199-S203 PolarHBondContact O-N 3.43Å; A199-S203 VanDerWaalsContact O-N 3.1Å; S200-S203 WeakPolarHBondContact O-CB 3.46Å; S200-S203 PolarHBondContact O-N 3.48Å; S203-A206 PolarHBondContact O-N 2.76Å; S203-L207 PolarHBondContact O-N 3.41Å; S203-L207 VanDerWaalsContact O-N 3.16Å
204W89.3Confident90Very high172 Ų17293.3 Ų93.365%0.65250%0.497SS*.Hα-helixtrans-62.9-42171.7-77.5115.5000112.3S200 D201 A206 L207 I208S200-W204 PolarHBondContact O-N 3.46Å; D201-W204 PolarHBondContact O-N 3.47Å; W204-A206 PolarHBondContact O-N 3.04Å; W204-L207 HydrophobicContact CE3-CD1 4.46Å; W204-L207 WeakPolarHBondContact O-CB 3.43Å; W204-L207 PolarHBondContact O-N 2.89Å; W204-I208 WeakPolarHBondContact O-CG1 3.35Å; W204-I208 PolarHBondContact O-N 3.05Å; W204-I208 VanDerWaalsContact O-N 3.07Å
205Q90.6Very high89.8Confident88 Ų8893.4 Ų93.441%0.41149%0.494SS..Hα-helixtrans-63.5-40.8177.7-172.856.152.700111.9D201 T202 L207 I208 D209D201-Q205 WeakPolarHBondContact O-CB 3.44Å; D201-Q205 PolarHBondContact O-N 3.14Å; T202-Q205 PolarHBondContact O-N 3.02Å; Q205-L207 PolarHBondContact O-N 2.82Å; Q205-I208 PolarHBondContact O-N 2.93Å; Q205-D209 PolarHBondContact NE2-OD2 3.29Å; Q205-D209 PolarHBondContact O-N 3.16Å
206A87.9Confident89.7Confident60 Ų6096.1 Ų96.150%0.49650%0.499SS..Hα-helixtrans-61.1-42.7175.200000112.5T202 S203 W204 I208 D209 E210T202-A206 WeakPolarHBondContact O-CB 3.27Å; T202-A206 PolarHBondContact O-N 3.1Å; S203-A206 PolarHBondContact O-N 2.76Å; W204-A206 PolarHBondContact O-N 3.04Å; A206-I208 PolarHBondContact O-N 3.04Å; A206-D209 PolarHBondContact O-N 2.65Å; A206-E210 WeakPolarHBondContact O-CB 3.41Å; A206-E210 PolarHBondContact O-N 3.25Å
207L86.6Confident89.3Confident95 Ų9597 Ų9750%0.49750%0.499SS..Hα-helixtrans-60.3-41.8174.3-100161.2000112.7S203 W204 Q205 E210 D211S203-L207 PolarHBondContact O-N 3.41Å; S203-L207 VanDerWaalsContact O-N 3.16Å; W204-L207 HydrophobicContact CE3-CD1 4.46Å; W204-L207 WeakPolarHBondContact O-CB 3.43Å; W204-L207 PolarHBondContact O-N 2.89Å; Q205-L207 PolarHBondContact O-N 2.82Å; L207-E210 PolarHBondContact O-N 2.91Å; L207-D211 PolarHBondContact O-N 3.49Å; L207-D211 VanDerWaalsContact O-N 3.09Å
208I88.2Confident89.1Confident79 Ų7998.5 Ų98.541%0.40551%0.506SS..Hα-helixtrans-66.4-38.2177.3-68.8164000111.3W204 Q205 A206 R212W204-I208 WeakPolarHBondContact O-CG1 3.35Å; W204-I208 PolarHBondContact O-N 3.05Å; W204-I208 VanDerWaalsContact O-N 3.07Å; Q205-I208 PolarHBondContact O-N 2.93Å; A206-I208 PolarHBondContact O-N 3.04Å; I208-R212 WeakPolarHBondContact O-CD 3.46Å; I208-R212 VanDerWaalsContact O-CG 3.28Å; I208-R212 WeakPolarHBondContact O-CG 3.36Å; I208-R212 PolarHBondContact O-N 3.27Å; I208-R212 VanDerWaalsContact O-N 3.14Å
209D88.3Confident88.8Confident61 Ų6195.8 Ų95.833%0.32650%0.499SS..Hα-helixtrans-78.5-24.1178.8-69.7-39.4000113.2Q205 A206 R212 L213Q205-D209 PolarHBondContact NE2-OD2 3.29Å; Q205-D209 PolarHBondContact O-N 3.16Å; A206-D209 PolarHBondContact O-N 2.65Å; D209-R212 VanDerWaalsContact OD1-CD 3.24Å; D209-R212 WeakPolarHBondContact OD1-CD 3.34Å; D209-R212 IonicContact OD1-CZ 3.33Å; D209-R212 IonicContact OD1-NE 2.62Å; D209-R212 IonicContact OD1-NH1 3.94Å; D209-R212 PolarHBondContact OD1-NH1 3.31Å; D209-L213 WeakPolarHBondContact O-CB 3.46Å; D209-L213 WeakPolarHBondContact O-CG 3.23Å; D209-L213 PolarHBondContact O-N 3.26Å
210E90.7Very high88.5Confident116 Ų11697.4 Ų97.454%0.54250%0.498SS..Hα-helixtrans-67.9-46167.2-174.3169.1-154.400111.8A206 L207 R212 L213 L214A206-E210 WeakPolarHBondContact O-CB 3.41Å; A206-E210 PolarHBondContact O-N 3.25Å; L207-E210 PolarHBondContact O-N 2.91Å; E210-R212 VanDerWaalsContact C-N 3.3Å; E210-R212 PolarHBondContact O-N 2.98Å; E210-L213 WeakPolarHBondContact O-CA 3.5Å; E210-L213 WeakPolarHBondContact O-CB 3.43Å; E210-L213 PolarHBondContact O-N 2.92Å; E210-L214 WeakPolarHBondContact O-CG 3.42Å; E210-L214 PolarHBondContact O-N 3.36Å
211D89.1Confident88Confident104 Ų10497.1 Ų97.156%0.55650%0.502SS*.Hα-helixtrans-61.9-37.1175.9-173.359.8000112.4L207 L214 S215L207-D211 PolarHBondContact O-N 3.49Å; L207-D211 VanDerWaalsContact O-N 3.09Å; D211-L214 PolarHBondContact O-N 2.91Å; D211-S215 WeakPolarHBondContact O-CB 3.39Å; D211-S215 PolarHBondContact O-N 3.14Å; D211-S215 PolarHBondContact O-OG 2.87Å
212R91.2Very high87.5Confident149 Ų14997.5 Ų97.556%0.56250%0.504SS*.Hα-helixtrans-63.7-38.4169.7-74.6164.7165.5176.8-1.9112.9I208 D209 E210 R216I208-R212 WeakPolarHBondContact O-CD 3.46Å; I208-R212 VanDerWaalsContact O-CG 3.28Å; I208-R212 WeakPolarHBondContact O-CG 3.36Å; I208-R212 PolarHBondContact O-N 3.27Å; I208-R212 VanDerWaalsContact O-N 3.14Å; D209-R212 VanDerWaalsContact OD1-CD 3.24Å; D209-R212 WeakPolarHBondContact OD1-CD 3.34Å; D209-R212 IonicContact OD1-CZ 3.33Å; D209-R212 IonicContact OD1-NE 2.62Å; D209-R212 IonicContact OD1-NH1 3.94Å; D209-R212 PolarHBondContact OD1-NH1 3.31Å; E210-R212 VanDerWaalsContact C-N 3.3Å; E210-R212 PolarHBondContact O-N 2.98Å; R212-R216 WeakPolarHBondContact O-CB 3.35Å; R212-R216 PolarHBondContact O-N 2.93Å
213L89.5Confident86.8Confident106 Ų10698.7 Ų98.756%0.55550%0.504SS*.Hα-helixtrans-67.9-42.6176-86.9163000111.5D209 E210 R216 L217D209-L213 WeakPolarHBondContact O-CB 3.46Å; D209-L213 WeakPolarHBondContact O-CG 3.23Å; D209-L213 PolarHBondContact O-N 3.26Å; E210-L213 WeakPolarHBondContact O-CA 3.5Å; E210-L213 WeakPolarHBondContact O-CB 3.43Å; E210-L213 PolarHBondContact O-N 2.92Å; L213-R216 PolarHBondContact O-N 2.95Å; L213-L217 WeakPolarHBondContact O-CB 3.42Å; L213-L217 WeakPolarHBondContact O-CG 3.48Å; L213-L217 PolarHBondContact O-N 2.71Å
214L89.6Confident86Confident102 Ų102101.1 Ų101.153%0.53451%0.51SS..Hα-helixtrans-60.3-49.1173.7-68.9171.3000111.2E210 D211 R216 L217 E218E210-L214 WeakPolarHBondContact O-CG 3.42Å; E210-L214 PolarHBondContact O-N 3.36Å; D211-L214 PolarHBondContact O-N 2.91Å; L214-R216 VanDerWaalsContact C-N 3.28Å; L214-R216 PolarHBondContact O-N 3.45Å; L214-L217 PolarHBondContact O-N 3.27Å; L214-L217 VanDerWaalsContact O-N 3.14Å; L214-E218 PolarHBondContact O-N 2.86Å
215S87.6Confident85.3Confident58 Ų5898.8 Ų98.841%0.40651%0.506SS..Hα-helixtrans-56.4-40.5174.7-61.80000112.3D211 V219D211-S215 WeakPolarHBondContact O-CB 3.39Å; D211-S215 PolarHBondContact O-N 3.14Å; D211-S215 PolarHBondContact O-OG 2.87Å; S215-V219 WeakPolarHBondContact O-CG2 3.23Å; S215-V219 PolarHBondContact O-N 2.95Å; S215-V219 VanDerWaalsContact O-N 3.17Å
216R90.9Very high84.2Confident151 Ų15197.4 Ų97.457%0.5751%0.51SS*.Hα-helixtrans-71-37.4177.3-175.2173.7178.51690112.5R212 L213 L214 V219 M220R212-R216 WeakPolarHBondContact O-CB 3.35Å; R212-R216 PolarHBondContact O-N 2.93Å; L213-R216 PolarHBondContact O-N 2.95Å; L214-R216 VanDerWaalsContact C-N 3.28Å; L214-R216 PolarHBondContact O-N 3.45Å; R216-V219 PolarHBondContact O-N 2.84Å; R216-M220 HydrophobicContact CG-SD 4.3Å; R216-M220 WeakPolarHBondContact O-CB 3.47Å; R216-M220 WeakPolarHBondContact O-CG 3.32Å; R216-M220 PolarHBondContact O-N 3.49Å
217L84.2Confident82.8Confident110 Ų11096.9 Ų96.958%0.57650%0.502SS*.Hα-helixtrans-64.7-39.6174.9-77.4166.9000111.5L213 L214 M220 G221L213-L217 WeakPolarHBondContact O-CB 3.42Å; L213-L217 WeakPolarHBondContact O-CG 3.48Å; L213-L217 PolarHBondContact O-N 2.71Å; L214-L217 PolarHBondContact O-N 3.27Å; L214-L217 VanDerWaalsContact O-N 3.14Å; L217-M220 PolarHBondContact O-N 3.48Å; L217-G221 PolarHBondContact O-N 2.93Å
218E88.5Confident81.8Confident136 Ų13696.4 Ų96.464%0.63651%0.507SS*.Hα-helixtrans-61.9-46173.4-176.4175.6-15100111.5L214 M220 G221 N222L214-E218 PolarHBondContact O-N 2.86Å; E218-M220 PolarHBondContact O-N 3.37Å; E218-G221 PolarHBondContact O-N 3.37Å; E218-N222 PolarHBondContact O-N 3.47Å; E218-N222 PolarHBondContact O-ND2 3.04Å
219V85.8Confident80.5Confident78 Ų78100.1 Ų100.147%0.47352%0.52SS..Hα-helixtrans-60.8-43.7175.3171.50000111.6S215 R216 N222 Q223S215-V219 WeakPolarHBondContact O-CG2 3.23Å; S215-V219 PolarHBondContact O-N 2.95Å; S215-V219 VanDerWaalsContact O-N 3.17Å; R216-V219 PolarHBondContact O-N 2.84Å; V219-N222 PolarHBondContact O-N 3.41Å; V219-Q223 WeakPolarHBondContact O-CG 3.23Å; V219-Q223 PolarHBondContact O-N 2.93Å
220M81.2Confident79.3Confident90 Ų90103.9 Ų103.944%0.44354%0.54SS..Hα-helixtrans-67.6-35.3177.6-73.4-178.464.300112.8R216 L217 E218 Q223 L224R216-M220 HydrophobicContact CG-SD 4.3Å; R216-M220 WeakPolarHBondContact O-CB 3.47Å; R216-M220 WeakPolarHBondContact O-CG 3.32Å; R216-M220 PolarHBondContact O-N 3.49Å; L217-M220 PolarHBondContact O-N 3.48Å; E218-M220 PolarHBondContact O-N 3.37Å; M220-Q223 PolarHBondContact O-N 3.47Å; M220-L224 WeakPolarHBondContact O-CB 3.36Å; M220-L224 PolarHBondContact O-N 3.39Å
221G80.3Confident77.7Confident38 Ų38102.3 Ų102.339%0.39253%0.533SS..Hα-helixtrans-63.4-45.317300000112.3L217 E218 Q223 L224 Q225L217-G221 PolarHBondContact O-N 2.93Å; E218-G221 PolarHBondContact O-N 3.37Å; G221-Q223 VanDerWaalsContact C-N 3.34Å; G221-Q223 PolarHBondContact O-N 2.86Å; G221-L224 PolarHBondContact O-N 3.04Å; G221-Q225 WeakPolarHBondContact O-CB 3.38Å; G221-Q225 PolarHBondContact O-N 2.93Å
222N79.4Confident76.8Confident92 Ų92101.7 Ų101.749%0.49253%0.533SS..Hα-helixtrans-62.3-38.8173.9-77.5-66.1000112.2E218 V219 Q225 A226E218-N222 PolarHBondContact O-N 3.47Å; E218-N222 PolarHBondContact O-ND2 3.04Å; V219-N222 PolarHBondContact O-N 3.41Å; N222-Q225 PolarHBondContact O-N 3.23Å; N222-A226 PolarHBondContact O-N 3.46Å; N222-A226 VanDerWaalsContact O-N 3.1Å
223Q76.8Confident75.6Confident114 Ų114100.6 Ų100.653%0.53353%0.534SS..Hα-helixtrans-65.6-45.2174.5-74.2172.7-9.400112.2V219 M220 G221 Q225 A226 C227V219-Q223 WeakPolarHBondContact O-CG 3.23Å; V219-Q223 PolarHBondContact O-N 2.93Å; M220-Q223 PolarHBondContact O-N 3.47Å; G221-Q223 VanDerWaalsContact C-N 3.34Å; G221-Q223 PolarHBondContact O-N 2.86Å; Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 2.84Å; Q223-A226 WeakPolarHBondContact O-CB 3.19Å; Q223-A226 PolarHBondContact O-N 2.87Å; Q223-A226 VanDerWaalsContact O-N 3.07Å; Q223-C227 PolarHBondContact O-N 2.85Å; Q223-C227 PolarHBondContact O-SG 2.95Å
224L70.1Confident74.9Confident124 Ų12499.8 Ų99.865%0.64953%0.53SS*.Hα-helixtrans-58.5-40.7173.3-86.9161.8000112.3M220 G221 A226 C227 S228M220-L224 WeakPolarHBondContact O-CB 3.36Å; M220-L224 PolarHBondContact O-N 3.39Å; G221-L224 PolarHBondContact O-N 3.04Å; L224-A226 PolarHBondContact O-N 2.99Å; L224-C227 PolarHBondContact O-N 3.29Å; L224-S228 WeakPolarHBondContact O-CB 3.27Å; L224-S228 PolarHBondContact O-N 3.1Å; L224-S228 PolarHBondContact O-OG 3.38Å
225Q74.5Confident74.2Confident123 Ų12397.2 Ų97.258%0.57552%0.521SS*.Hα-helixtrans-69.7-20.7177.2-158.3178.53200113.4G221 N222 Q223 S228G221-Q225 WeakPolarHBondContact O-CB 3.38Å; G221-Q225 PolarHBondContact O-N 2.93Å; N222-Q225 PolarHBondContact O-N 3.23Å; Q223-Q225 VanDerWaalsContact C-N 3.3Å; Q223-Q225 PolarHBondContact O-N 2.84Å; Q225-S228 PolarHBondContact O-OG 3.09Å
226A67.3Low73.8Confident60 Ų6098.4 Ų98.450%0.49652%0.522SS..Hα-helixtrans-82.9-46.8169.600000112.2N222 Q223 L224 S228 K229N222-A226 PolarHBondContact O-N 3.46Å; N222-A226 VanDerWaalsContact O-N 3.1Å; Q223-A226 WeakPolarHBondContact O-CB 3.19Å; Q223-A226 PolarHBondContact O-N 2.87Å; Q223-A226 VanDerWaalsContact O-N 3.07Å; L224-A226 PolarHBondContact O-N 2.99Å; A226-S228 PolarHBondContact O-N 3.14Å; A226-K229 PolarHBondContact O-N 2.88Å
227C60Low73.3Confident48 Ų4897.9 Ų97.932%0.32452%0.52SS..Hα-helixtrans-61.8-42-179.4-71.20000112.6Q223 L224 K229 N230 Q231Q223-C227 PolarHBondContact O-N 2.85Å; Q223-C227 PolarHBondContact O-SG 2.95Å; L224-C227 PolarHBondContact O-N 3.29Å; C227-K229 PolarHBondContact O-N 3.02Å; C227-N230 PolarHBondContact O-N 3.27Å; C227-N230 VanDerWaalsContact O-N 3.07Å; C227-Q231 HydrophobicContact CB-CG 4.42Å; C227-Q231 PolarHBondContact O-N 3.47Å
228S65.1Low73.4Confident85 Ų8598.7 Ų98.759%0.59452%0.519SS*.THydrogen-bonded Turntrans-59-11.2179.257.50000115.4L224 Q225 A226L224-S228 WeakPolarHBondContact O-CB 3.27Å; L224-S228 PolarHBondContact O-N 3.1Å; L224-S228 PolarHBondContact O-OG 3.38Å; Q225-S228 PolarHBondContact O-OG 3.09Å; A226-S228 PolarHBondContact O-N 3.14Å
229K61.2Low73.2Confident157 Ų15795.8 Ų95.868%0.68351%0.505SS*.THydrogen-bonded Turntrans-97.7-14.8178-67.6178-179.8171.90114.6A226 C227A226-K229 PolarHBondContact O-N 2.88Å; C227-K229 PolarHBondContact O-N 3.02Å
230N62.3Low73Confident141 Ų14197.4 Ų97.475%0.75451%0.511SS*.THydrogen-bonded Turntrans-142.95.3-165.6-81.4-38000116.1C227 T232C227-N230 PolarHBondContact O-N 3.27Å; C227-N230 VanDerWaalsContact O-N 3.07Å; N230-T232 PolarHBondContact O-N 3.03Å
231Q57.3Low73.4Confident83 Ų8398 Ų9839%0.38852%0.515SS..  trans-65.9119.4-178.3-89.1170.1-25.400113C227 L236 E239C227-Q231 HydrophobicContact CB-CG 4.42Å; C227-Q231 PolarHBondContact O-N 3.47Å; Q231-L236 HydrophobicContact CB-CD2 4.37Å; Q231-L236 HydrophobicContact CB-CG 4.3Å; Q231-L236 HydrophobicContact CG-CD2 4.16Å; Q231-L236 HydrophobicContact CG-CG 4.47Å; Q231-E239 PolarHBondContact NE2-OE2 3.46Å
232T69.6Low73.8Confident91 Ų9198.4 Ų98.456%0.55852%0.515SS*.  trans-94.4159.2166.258.60000110.5N230 D234 S235 L236N230-T232 PolarHBondContact O-N 3.03Å; T232-D234 PolarHBondContact O-N 3.44Å; T232-S235 WeakPolarHBondContact O-CA 3.26Å; T232-S235 VanDerWaalsContact O-CB 3.25Å; T232-S235 WeakPolarHBondContact O-CB 3.41Å; T232-S235 PolarHBondContact O-N 3.32Å; T232-L236 PolarHBondContact O-N 3.47Å
233E67.6Low74.1Confident126 Ų12699.3 Ų99.359%0.58952%0.519SS*.Hα-helixtrans-58.2-35.5-178.5-156.4-164.4156.100112.7S235 L236 R237E233-S235 VanDerWaalsContact C-N 3.31Å; E233-S235 PolarHBondContact O-N 2.9Å; E233-L236 PolarHBondContact O-N 2.83Å; E233-R237 WeakPolarHBondContact O-CG 3.4Å; E233-R237 PolarHBondContact O-N 3.2Å; E233-R237 IonicContact OE1-CZ 3.67Å; E233-R237 IonicContact OE1-NE 2.68Å; E233-R237 PolarHBondContact OE1-NE 3.37Å; E233-R237 IonicContact OE1-NH2 3.38Å; E233-R237 PolarHBondContact OE1-NH2 2.87Å; E233-R237 IonicContact OE2-NH2 3.55Å
234D73.8Confident74.5Confident89 Ų89100.5 Ų100.548%0.47652%0.524SS..Hα-helixtrans-75.6-18.4177.9-154.660.3000113.2T232 K238T232-D234 PolarHBondContact O-N 3.44Å; D234-K238 WeakPolarHBondContact O-CD 3.44Å; D234-K238 WeakPolarHBondContact O-CG 3.44Å; D234-K238 WeakPolarHBondContact OD2-CE 3.41Å; D234-K238 IonicContact OD2-NZ 3.54Å; D234-K238 PolarHBondContact OD2-NZ 3.13Å
235S74.6Confident75.6Confident48 Ų48100.5 Ų100.534%0.33652%0.521SS..Hα-helixtrans-74.1-50.6166.3-166.30000110.2T232 E233 R237 K238 E239T232-S235 WeakPolarHBondContact O-CA 3.26Å; T232-S235 VanDerWaalsContact O-CB 3.25Å; T232-S235 WeakPolarHBondContact O-CB 3.41Å; T232-S235 PolarHBondContact O-N 3.32Å; E233-S235 VanDerWaalsContact C-N 3.31Å; E233-S235 PolarHBondContact O-N 2.9Å; S235-R237 VanDerWaalsContact C-N 3.27Å; S235-R237 PolarHBondContact O-N 2.84Å; S235-K238 PolarHBondContact O-N 3.32Å; S235-E239 WeakPolarHBondContact O-CB 3.29Å; S235-E239 PolarHBondContact O-N 3.05Å
236L79Confident76.4Confident82 Ų8298.6 Ų98.643%0.42952%0.515SS..Hα-helixtrans-57.9-38.1-179.8-71.3168.4000112.4Q231 T232 E233 E239 L240Q231-L236 HydrophobicContact CB-CD2 4.37Å; Q231-L236 HydrophobicContact CB-CG 4.3Å; Q231-L236 HydrophobicContact CG-CD2 4.16Å; Q231-L236 HydrophobicContact CG-CG 4.47Å; T232-L236 PolarHBondContact O-N 3.47Å; E233-L236 PolarHBondContact O-N 2.83Å; L236-E239 PolarHBondContact O-N 3.38Å; L236-L240 WeakPolarHBondContact O-CB 3.43Å; L236-L240 PolarHBondContact O-N 2.78Å
237R81.4Confident77.5Confident140 Ų140102.5 Ų102.553%0.52852%0.52SS..Hα-helixtrans-65.3-38.3175.4-70.6172.4-175.6-166.51.8113E233 S235 I241E233-R237 WeakPolarHBondContact O-CG 3.4Å; E233-R237 PolarHBondContact O-N 3.2Å; E233-R237 IonicContact OE1-CZ 3.67Å; E233-R237 IonicContact OE1-NE 2.68Å; E233-R237 PolarHBondContact OE1-NE 3.37Å; E233-R237 IonicContact OE1-NH2 3.38Å; E233-R237 PolarHBondContact OE1-NH2 2.87Å; E233-R237 IonicContact OE2-NH2 3.55Å; S235-R237 VanDerWaalsContact C-N 3.27Å; S235-R237 PolarHBondContact O-N 2.84Å; R237-I241 WeakPolarHBondContact O-CD1 3.37Å; R237-I241 WeakPolarHBondContact O-CG1 3.42Å; R237-I241 PolarHBondContact O-N 3.05Å; R237-I241 VanDerWaalsContact O-N 3.16Å
238K85.2Confident79Confident127 Ų127105.8 Ų105.855%0.55253%0.531SS*.Hα-helixtrans-72.2-39.9176.5-70.3166.5-168.7147.80111.6D234 S235 L240 I241 A242D234-K238 WeakPolarHBondContact O-CD 3.44Å; D234-K238 WeakPolarHBondContact O-CG 3.44Å; D234-K238 WeakPolarHBondContact OD2-CE 3.41Å; D234-K238 IonicContact OD2-NZ 3.54Å; D234-K238 PolarHBondContact OD2-NZ 3.13Å; S235-K238 PolarHBondContact O-N 3.32Å; K238-L240 VanDerWaalsContact C-N 3.34Å; K238-I241 PolarHBondContact O-N 3.19Å; K238-A242 PolarHBondContact O-N 2.91Å
239E84.6Confident80.2Confident75 Ų75106 Ų10635%0.3553%0.525SS..Hα-helixtrans-63.6-39.7176.3-158.6161.9-166.900110.9Q231 S235 L236 A242 L243Q231-E239 PolarHBondContact NE2-OE2 3.46Å; S235-E239 WeakPolarHBondContact O-CB 3.29Å; S235-E239 PolarHBondContact O-N 3.05Å; L236-E239 PolarHBondContact O-N 3.38Å; E239-A242 PolarHBondContact O-N 3.33Å; E239-L243 WeakPolarHBondContact O-CB 3.42Å; E239-L243 VanDerWaalsContact O-CG 3.27Å; E239-L243 WeakPolarHBondContact O-CG 3.39Å; E239-L243 PolarHBondContact O-N 2.9Å
240L81.3Confident81.6Confident112 Ų112106 Ų10659%0.58652%0.522SS*.Hα-helixtrans-62.9-43.2171.7-169.477000112.9L236 K238 Q244L236-L240 WeakPolarHBondContact O-CB 3.43Å; L236-L240 PolarHBondContact O-N 2.78Å; K238-L240 VanDerWaalsContact C-N 3.34Å; L240-Q244 WeakPolarHBondContact O-CB 3.41Å; L240-Q244 PolarHBondContact O-N 2.91Å; L240-Q244 VanDerWaalsContact O-N 3.1Å
241I90.2Very high83Confident104 Ų104103.6 Ų103.653%0.53351%0.506SS..Hα-helixtrans-63.4-47.2176.9-71.3160.5000110.4R237 K238 L243 Q244 E245R237-I241 WeakPolarHBondContact O-CD1 3.37Å; R237-I241 WeakPolarHBondContact O-CG1 3.42Å; R237-I241 PolarHBondContact O-N 3.05Å; R237-I241 VanDerWaalsContact O-N 3.16Å; K238-I241 PolarHBondContact O-N 3.19Å; I241-L243 PolarHBondContact O-N 3.35Å; I241-Q244 PolarHBondContact O-N 2.73Å; I241-E245 PolarHBondContact O-N 2.74Å
242A89.6Confident84.7Confident46 Ų46102.1 Ų102.138%0.3850%0.503SS..Hα-helixtrans-59.9-45.1178.400000112.1K238 E239 Q244 E245 D246K238-A242 PolarHBondContact O-N 2.91Å; E239-A242 PolarHBondContact O-N 3.33Å; A242-Q244 PolarHBondContact O-N 3.02Å; A242-E245 PolarHBondContact O-N 2.96Å; A242-D246 WeakPolarHBondContact O-CB 3.33Å; A242-D246 PolarHBondContact O-N 2.92Å
243L85Confident85.8Confident111 Ų111101.8 Ų101.858%0.58150%0.501SS*.Hα-helixtrans-61.2-29.5174.4-73.4169000112.9E239 I241 K247E239-L243 WeakPolarHBondContact O-CB 3.42Å; E239-L243 VanDerWaalsContact O-CG 3.27Å; E239-L243 WeakPolarHBondContact O-CG 3.39Å; E239-L243 PolarHBondContact O-N 2.9Å; I241-L243 PolarHBondContact O-N 3.35Å; L243-K247 VanDerWaalsContact O-CB 3.3Å; L243-K247 WeakPolarHBondContact O-CB 3.41Å; L243-K247 PolarHBondContact O-N 2.85Å
244Q85.9Confident86.8Confident138 Ų13898.6 Ų98.665%0.64550%0.496SS*.Hα-helixtrans-81.6-33179.1-166.2147.5-35.300112.7L240 I241 A242 H248L240-Q244 WeakPolarHBondContact O-CB 3.41Å; L240-Q244 PolarHBondContact O-N 2.91Å; L240-Q244 VanDerWaalsContact O-N 3.1Å; I241-Q244 PolarHBondContact O-N 2.73Å; A242-Q244 PolarHBondContact O-N 3.02Å; Q244-H248 PolarHBondContact O-N 3.02Å
245E92.4Very high87.6Confident125 Ų12599.7 Ų99.758%0.58450%0.497SS*.Hα-helixtrans-68-46.8167.1-72.2-171.9119.800111.4I241 A242 K247 H248 N249I241-E245 PolarHBondContact O-N 2.74Å; A242-E245 PolarHBondContact O-N 2.96Å; E245-K247 VanDerWaalsContact C-N 3.34Å; E245-K247 PolarHBondContact O-N 2.85Å; E245-H248 WeakPolarHBondContact O-CA 3.48Å; E245-H248 WeakPolarHBondContact O-CB 3.3Å; E245-H248 PolarHBondContact O-N 3.22Å; E245-N249 VanDerWaalsContact O-CG 3.25Å; E245-N249 PolarHBondContact O-N 3.39Å; E245-N249 PolarHBondContact O-ND2 3.49Å
246D91.1Very high88.5Confident83 Ų83102.3 Ų102.344%0.44450%0.504SS..Hα-helixtrans-56.9-46.6175.5-91.1-6000111.4A242 H248 N249 Y250A242-D246 WeakPolarHBondContact O-CB 3.33Å; A242-D246 PolarHBondContact O-N 2.92Å; D246-H248 VanDerWaalsContact C-N 3.29Å; D246-H248 PolarHBondContact O-N 3.01Å; D246-N249 PolarHBondContact O-N 3.19Å; D246-Y250 HydrophobicContact CB-CD2 4.43Å; D246-Y250 HydrophobicContact CB-CE2 4.4Å; D246-Y250 WeakPolarHBondContact O-CD2 3.47Å; D246-Y250 PolarHBondContact O-N 3.34Å
247K90Very high89Confident141 Ų141100.8 Ų100.861%0.61350%0.5SS*.Hα-helixtrans-54.4-45.4173.4179.1-175.7173.1-175.30111.7L243 E245 E251L243-K247 VanDerWaalsContact O-CB 3.3Å; L243-K247 WeakPolarHBondContact O-CB 3.41Å; L243-K247 PolarHBondContact O-N 2.85Å; E245-K247 VanDerWaalsContact C-N 3.34Å; E245-K247 PolarHBondContact O-N 2.85Å; K247-E251 VanDerWaalsContact O-CB 3.31Å; K247-E251 WeakPolarHBondContact O-CB 3.47Å; K247-E251 PolarHBondContact O-N 3.07Å
248H91.4Very high89.4Confident118 Ų118100.6 Ų100.655%0.54651%0.508SS..Hα-helixtrans-66.7-38.7179.7-174.659.8000112.4Q244 E245 D246 T252Q244-H248 PolarHBondContact O-N 3.02Å; E245-H248 WeakPolarHBondContact O-CA 3.48Å; E245-H248 WeakPolarHBondContact O-CB 3.3Å; E245-H248 PolarHBondContact O-N 3.22Å; D246-H248 VanDerWaalsContact C-N 3.29Å; D246-H248 PolarHBondContact O-N 3.01Å; H248-T252 WeakPolarHBondContact O-CB 3.47Å; H248-T252 PolarHBondContact O-N 3.03Å; H248-T252 PolarHBondContact O-OG1 3.2Å
249N91.6Very high89.7Confident88 Ų88103.1 Ų103.147%0.47151%0.514SS..Hα-helixtrans-63.6-52175.2-67.8-31.1000110.8E245 D246 E251 T252 T253E245-N249 VanDerWaalsContact O-CG 3.25Å; E245-N249 PolarHBondContact O-N 3.39Å; E245-N249 PolarHBondContact O-ND2 3.49Å; D246-N249 PolarHBondContact O-N 3.19Å; N249-E251 PolarHBondContact O-N 3.29Å; N249-T252 PolarHBondContact O-N 2.71Å; N249-T252 VanDerWaalsContact O-N 3.15Å; N249-T253 PolarHBondContact O-N 2.78Å; N249-T253 PolarHBondContact O-OG1 2.94Å; N249-T253 VanDerWaalsContact O-OG1 3.1Å
250Y90.9Very high90.1Very high158 Ų158106.6 Ų106.662%0.6252%0.524SS*.Hα-helixtrans-57.2-45.3175.5-79.8-66.2000112.3D246 T252 T253 A254D246-Y250 HydrophobicContact CB-CD2 4.43Å; D246-Y250 HydrophobicContact CB-CE2 4.4Å; D246-Y250 WeakPolarHBondContact O-CD2 3.47Å; D246-Y250 PolarHBondContact O-N 3.34Å; Y250-T252 VanDerWaalsContact C-N 3.29Å; Y250-T252 PolarHBondContact O-N 3.48Å; Y250-T253 PolarHBondContact O-N 3.44Å; Y250-A254 WeakPolarHBondContact O-CB 3.41Å; Y250-A254 PolarHBondContact O-N 3.31Å
251E91.3Very high90.5Very high91 Ų91105.7 Ų105.743%0.42552%0.523SS..Hα-helixtrans-63.3-36.1178.6-166.2-175.9146.700111.9K247 N249 K255K247-E251 VanDerWaalsContact O-CB 3.31Å; K247-E251 WeakPolarHBondContact O-CB 3.47Å; K247-E251 PolarHBondContact O-N 3.07Å; N249-E251 PolarHBondContact O-N 3.29Å; E251-K255 HydrophobicContact CG-CD 4.45Å; E251-K255 WeakPolarHBondContact O-CB 3.32Å; E251-K255 WeakPolarHBondContact O-CD 3.45Å; E251-K255 VanDerWaalsContact O-CG 3.23Å; E251-K255 WeakPolarHBondContact O-CG 3.45Å; E251-K255 PolarHBondContact O-N 2.99Å; E251-K255 VanDerWaalsContact O-N 3.13Å; E251-K255 WeakPolarHBondContact OE1-CE 3.39Å; E251-K255 IonicContact OE1-NZ 3.29Å; E251-K255 PolarHBondContact OE1-NZ 3.33Å
252T92.5Very high90.6Very high51 Ų51105.7 Ų105.731%0.31352%0.524SS..Hα-helixtrans-71.9-50.8177.2-58.60000111.4H248 N249 Y250 A254 K255 E256H248-T252 WeakPolarHBondContact O-CB 3.47Å; H248-T252 PolarHBondContact O-N 3.03Å; H248-T252 PolarHBondContact O-OG1 3.2Å; N249-T252 PolarHBondContact O-N 2.71Å; N249-T252 VanDerWaalsContact O-N 3.15Å; Y250-T252 VanDerWaalsContact C-N 3.29Å; Y250-T252 PolarHBondContact O-N 3.48Å; T252-A254 VanDerWaalsContact C-N 3.29Å; T252-A254 PolarHBondContact O-N 3.26Å; T252-K255 PolarHBondContact O-N 2.9Å; T252-K255 VanDerWaalsContact O-N 3.13Å; T252-E256 WeakPolarHBondContact O-CG 3.42Å; T252-E256 PolarHBondContact O-N 3.49Å
253T92.9Very high90.8Very high85 Ų85109.6 Ų109.652%0.52153%0.534SS..Hα-helixtrans-60.6-37.1177.4-55.10000112.1N249 Y250 S257N249-T253 PolarHBondContact O-N 2.78Å; N249-T253 PolarHBondContact O-OG1 2.94Å; N249-T253 VanDerWaalsContact O-OG1 3.1Å; Y250-T253 PolarHBondContact O-N 3.44Å; T253-S257 WeakPolarHBondContact O-CB 3.44Å; T253-S257 PolarHBondContact O-N 3.16Å; T253-S257 PolarHBondContact O-OG 3.18Å
254A88.3Confident91.1Very high59 Ų59109.4 Ų109.449%0.48853%0.531SS..Hα-helixtrans-63.6-47.6173.200000111.7Y250 T252 E256 S257 L258Y250-A254 WeakPolarHBondContact O-CB 3.41Å; Y250-A254 PolarHBondContact O-N 3.31Å; T252-A254 VanDerWaalsContact C-N 3.29Å; T252-A254 PolarHBondContact O-N 3.26Å; A254-E256 VanDerWaalsContact C-N 3.35Å; A254-E256 PolarHBondContact O-N 2.95Å; A254-S257 PolarHBondContact O-N 2.91Å; A254-L258 WeakPolarHBondContact O-CB 3.24Å; A254-L258 PolarHBondContact O-N 3.44Å
255K90.4Very high91.3Very high111 Ų111109.5 Ų109.548%0.48353%0.529SS..Hα-helixtrans-61.6-39177-76.1168.5-176.3171.30112.9E251 T252 R259E251-K255 HydrophobicContact CG-CD 4.45Å; E251-K255 WeakPolarHBondContact O-CB 3.32Å; E251-K255 WeakPolarHBondContact O-CD 3.45Å; E251-K255 VanDerWaalsContact O-CG 3.23Å; E251-K255 WeakPolarHBondContact O-CG 3.45Å; E251-K255 PolarHBondContact O-N 2.99Å; E251-K255 VanDerWaalsContact O-N 3.13Å; E251-K255 WeakPolarHBondContact OE1-CE 3.39Å; E251-K255 IonicContact OE1-NZ 3.29Å; E251-K255 PolarHBondContact OE1-NZ 3.33Å; T252-K255 PolarHBondContact O-N 2.9Å; T252-K255 VanDerWaalsContact O-N 3.13Å; K255-R259 VanDerWaalsContact O-CG 3.3Å; K255-R259 WeakPolarHBondContact O-CG 3.47Å; K255-R259 PolarHBondContact O-N 3.37Å
256E92.8Very high91.4Very high104 Ų104108.1 Ų108.149%0.48652%0.524SS..Hα-helixtrans-70.1-39.4176.5-70.5-169.315700112.6T252 A254 R259 R260T252-E256 WeakPolarHBondContact O-CG 3.42Å; T252-E256 PolarHBondContact O-N 3.49Å; A254-E256 VanDerWaalsContact C-N 3.35Å; A254-E256 PolarHBondContact O-N 2.95Å; E256-R259 PolarHBondContact O-N 3.48Å; E256-R260 PolarHBondContact O-N 3.33Å
257S89.9Confident91.5Very high49 Ų49107.5 Ų107.534%0.34352%0.519SS..Hα-helixtrans-63.5-43.2174.2-57.40000111T253 A254 R259 R260 V261T253-S257 WeakPolarHBondContact O-CB 3.44Å; T253-S257 PolarHBondContact O-N 3.16Å; T253-S257 PolarHBondContact O-OG 3.18Å; A254-S257 PolarHBondContact O-N 2.91Å; S257-R259 PolarHBondContact O-N 3.13Å; S257-R260 WeakPolarHBondContact O-CB 3.38Å; S257-R260 PolarHBondContact O-N 3.27Å; S257-V261 WeakPolarHBondContact O-CG2 2.93Å; S257-V261 PolarHBondContact O-N 3.02Å
258L89.7Confident91.6Very high136 Ų136105.1 Ų105.171%0.71252%0.516SS*.Hα-helixtrans-62.6-41175.8-139.380.5000112.2A254 L262A254-L258 WeakPolarHBondContact O-CB 3.24Å; A254-L258 PolarHBondContact O-N 3.44Å; L258-L262 WeakPolarHBondContact O-CB 3.42Å; L258-L262 PolarHBondContact O-N 3.24Å
259R92.2Very high91.6Very high180 Ų180103.5 Ų103.568%0.67951%0.514SS*.Hα-helixtrans-62.2-40.5173.6-77.4170.5173.9173.9-2.1112K255 E256 S257 L262 Q263K255-R259 VanDerWaalsContact O-CG 3.3Å; K255-R259 WeakPolarHBondContact O-CG 3.47Å; K255-R259 PolarHBondContact O-N 3.37Å; E256-R259 PolarHBondContact O-N 3.48Å; S257-R259 PolarHBondContact O-N 3.13Å; R259-L262 PolarHBondContact O-N 2.94Å; R259-Q263 WeakPolarHBondContact O-CB 3.46Å; R259-Q263 PolarHBondContact O-N 2.89Å
260R92.7Very high91.7Very high148 Ų148104.6 Ų104.656%0.55851%0.512SS*.Hα-helixtrans-63.8-49.9178.4-164.3-174.2-58.5151.56.8111.4E256 S257 L262 Q263 E264E256-R260 PolarHBondContact O-N 3.33Å; S257-R260 WeakPolarHBondContact O-CB 3.38Å; S257-R260 PolarHBondContact O-N 3.27Å; R260-L262 VanDerWaalsContact C-N 3.29Å; R260-L262 PolarHBondContact O-N 2.96Å; R260-Q263 WeakPolarHBondContact O-CB 3.5Å; R260-Q263 PolarHBondContact O-N 2.96Å; R260-Q263 VanDerWaalsContact O-N 3.12Å; R260-E264 WeakPolarHBondContact CG-OE1 3.36Å; R260-E264 WeakPolarHBondContact O-CG 3.47Å; R260-E264 PolarHBondContact O-N 3.4Å
261V90.6Very high91.8Very high93 Ų93101.6 Ų101.656%0.56450%0.502SS*.Hα-helixtrans-61.2-37.1176.1174.30000111.7S257 E264 K265S257-V261 WeakPolarHBondContact O-CG2 2.93Å; S257-V261 PolarHBondContact O-N 3.02Å; V261-E264 PolarHBondContact O-N 3.46Å; V261-K265 WeakPolarHBondContact O-CB 3.41Å; V261-K265 PolarHBondContact O-N 3.26Å
262L91.8Very high91.7Very high105 Ų105101.9 Ų101.955%0.5551%0.506SS..Hα-helixtrans-65.1-42.1174.5-170.170.7000112L258 R259 R260 K265 I266L258-L262 WeakPolarHBondContact O-CB 3.42Å; L258-L262 PolarHBondContact O-N 3.24Å; R259-L262 PolarHBondContact O-N 2.94Å; R260-L262 VanDerWaalsContact C-N 3.29Å; R260-L262 PolarHBondContact O-N 2.96Å; L262-K265 PolarHBondContact O-N 3.26Å; L262-I266 HydrophobicContact CG-CD1 4.4Å; L262-I266 WeakPolarHBondContact O-CG1 3.45Å; L262-I266 PolarHBondContact O-N 2.86Å
263Q93.3Very high91.7Very high127 Ų127101.7 Ų101.759%0.59351%0.507SS*.Hα-helixtrans-65.3-42.7176.7-16769.220.800111.6R259 R260 I266 E267R259-Q263 WeakPolarHBondContact O-CB 3.46Å; R259-Q263 PolarHBondContact O-N 2.89Å; R260-Q263 WeakPolarHBondContact O-CB 3.5Å; R260-Q263 PolarHBondContact O-N 2.96Å; R260-Q263 VanDerWaalsContact O-N 3.12Å; Q263-I266 PolarHBondContact O-N 2.99Å; Q263-E267 PolarHBondContact O-N 3.1Å
264E92.1Very high91.7Very high108 Ų108100.1 Ų100.151%0.50549%0.494SS..Hα-helixtrans-62.1-42.7174.7-72.7164.8-171.400111.4R260 V261 I266 E267 V268R260-E264 WeakPolarHBondContact CG-OE1 3.36Å; R260-E264 WeakPolarHBondContact O-CG 3.47Å; R260-E264 PolarHBondContact O-N 3.4Å; V261-E264 PolarHBondContact O-N 3.46Å; E264-I266 PolarHBondContact O-N 2.91Å; E264-E267 PolarHBondContact O-N 3.4Å; E264-V268 WeakPolarHBondContact O-CG2 3.49Å; E264-V268 PolarHBondContact O-N 2.95Å
265K89.9Confident91.8Very high140 Ų140101.2 Ų101.261%0.60949%0.494SS*.Hα-helixtrans-59.1-43.5173.3-178.1179178.9178.40112.1V261 L262 V268 V269V261-K265 WeakPolarHBondContact O-CB 3.41Å; V261-K265 PolarHBondContact O-N 3.26Å; L262-K265 PolarHBondContact O-N 3.26Å; K265-V268 PolarHBondContact O-N 2.86Å; K265-V269 WeakPolarHBondContact O-CG2 3.32Å; K265-V269 PolarHBondContact O-N 3.39Å
266I93.7Very high91.9Very high95 Ų95101.1 Ų101.149%0.48750%0.495SS..Hα-helixtrans-63.2-43.9176.6-69163.1000110.5L262 Q263 E264 V268 V269 R270L262-I266 HydrophobicContact CG-CD1 4.4Å; L262-I266 WeakPolarHBondContact O-CG1 3.45Å; L262-I266 PolarHBondContact O-N 2.86Å; Q263-I266 PolarHBondContact O-N 2.99Å; E264-I266 PolarHBondContact O-N 2.91Å; I266-V268 VanDerWaalsContact C-N 3.35Å; I266-V268 PolarHBondContact O-N 3.15Å; I266-V269 PolarHBondContact O-N 3.05Å; I266-R270 WeakPolarHBondContact O-CB 3.39Å; I266-R270 PolarHBondContact O-N 2.78Å
267E93.1Very high92Very high70 Ų70102.7 Ų102.733%0.32750%0.497SS..Hα-helixtrans-65-36.2178-173.158.6-145.600112.3Q263 E264 R270 K271Q263-E267 PolarHBondContact O-N 3.1Å; E264-E267 PolarHBondContact O-N 3.4Å; E267-R270 IonicContact OE1-CZ 2.61Å; E267-R270 IonicContact OE1-NE 2.66Å; E267-R270 PolarHBondContact OE1-NE 2.9Å; E267-R270 IonicContact OE1-NH2 2.82Å; E267-R270 PolarHBondContact OE1-NH2 3.47Å; E267-R270 IonicContact OE2-NE 3.23Å; E267-R270 PolarHBondContact OE2-NE 2.95Å; E267-K271 HydrophobicContact CG-CD 4.46Å; E267-K271 WeakPolarHBondContact O-CB 3.37Å; E267-K271 WeakPolarHBondContact O-CD 3.44Å; E267-K271 VanDerWaalsContact O-CG 3.26Å; E267-K271 WeakPolarHBondContact O-CG 3.3Å; E267-K271 PolarHBondContact O-N 2.97Å; E267-K271 VanDerWaalsContact OE1-CE 3.24Å; E267-K271 WeakPolarHBondContact OE1-CE 3.47Å; E267-K271 IonicContact OE1-NZ 3.94Å
268V91.8Very high92Very high92 Ų92103.3 Ų103.356%0.55850%0.501SS*.Hα-helixtrans-68.4-46173.6169.60000111.6E264 K265 I266 R270 K271 L272E264-V268 WeakPolarHBondContact O-CG2 3.49Å; E264-V268 PolarHBondContact O-N 2.95Å; K265-V268 PolarHBondContact O-N 2.86Å; I266-V268 VanDerWaalsContact C-N 3.35Å; I266-V268 PolarHBondContact O-N 3.15Å; V268-R270 VanDerWaalsContact C-N 3.31Å; V268-R270 PolarHBondContact O-N 2.98Å; V268-K271 CarbonylContact O-C 3.55Å; V268-K271 PolarHBondContact O-N 3.42Å; V268-K271 VanDerWaalsContact O-N 3.14Å; V268-L272 PolarHBondContact O-N 3.48Å
269V92.4Very high91.9Very high84 Ų84101.1 Ų101.151%0.50949%0.489SS..Hα-helixtrans-62.8-38.7175.9170.50000111.3K265 I266 K271 L272 S273K265-V269 WeakPolarHBondContact O-CG2 3.32Å; K265-V269 PolarHBondContact O-N 3.39Å; I266-V269 PolarHBondContact O-N 3.05Å; V269-K271 VanDerWaalsContact C-N 3.35Å; V269-K271 PolarHBondContact O-N 3.4Å; V269-L272 WeakPolarHBondContact O-CB 3.42Å; V269-L272 PolarHBondContact O-N 2.73Å; V269-S273 PolarHBondContact O-N 3.45Å; V269-S273 VanDerWaalsContact O-N 3.07Å; V269-S273 PolarHBondContact O-OG 2.92Å
270R94Very high92.1Very high110 Ų11095.1 Ų95.142%0.41548%0.475SS..Hα-helixtrans-60.6-44173-165.9-163.465.265.3-1.3111.2I266 E267 V268 S273 E274I266-R270 WeakPolarHBondContact O-CB 3.39Å; I266-R270 PolarHBondContact O-N 2.78Å; E267-R270 IonicContact OE1-CZ 2.61Å; E267-R270 IonicContact OE1-NE 2.66Å; E267-R270 PolarHBondContact OE1-NE 2.9Å; E267-R270 IonicContact OE1-NH2 2.82Å; E267-R270 PolarHBondContact OE1-NH2 3.47Å; E267-R270 IonicContact OE2-NE 3.23Å; E267-R270 PolarHBondContact OE2-NE 2.95Å; V268-R270 VanDerWaalsContact C-N 3.31Å; V268-R270 PolarHBondContact O-N 2.98Å; R270-S273 PolarHBondContact O-OG 3.19Å; R270-E274 IonicContact CZ-OE2 3.85Å; R270-E274 IonicContact NH1-OE2 2.62Å; R270-E274 PolarHBondContact NH1-OE2 3.42Å; R270-E274 IonicContact NH2-OE2 3.38Å; R270-E274 PolarHBondContact O-N 3.1Å
271K93.2Very high92.1Very high95 Ų9592.2 Ų92.241%0.41347%0.471SS..Hα-helixtrans-66.6-38.3176.3-74.1164.5-177.91670112.5E267 V268 V269 E274 V275E267-K271 HydrophobicContact CG-CD 4.46Å; E267-K271 WeakPolarHBondContact O-CB 3.37Å; E267-K271 WeakPolarHBondContact O-CD 3.44Å; E267-K271 VanDerWaalsContact O-CG 3.26Å; E267-K271 WeakPolarHBondContact O-CG 3.3Å; E267-K271 PolarHBondContact O-N 2.97Å; E267-K271 VanDerWaalsContact OE1-CE 3.24Å; E267-K271 WeakPolarHBondContact OE1-CE 3.47Å; E267-K271 IonicContact OE1-NZ 3.94Å; V268-K271 CarbonylContact O-C 3.55Å; V268-K271 PolarHBondContact O-N 3.42Å; V268-K271 VanDerWaalsContact O-N 3.14Å; V269-K271 VanDerWaalsContact C-N 3.35Å; V269-K271 PolarHBondContact O-N 3.4Å; K271-E274 VanDerWaalsContact O-CB 3.31Å; K271-E274 WeakPolarHBondContact O-CB 3.49Å; K271-E274 PolarHBondContact O-N 3.5Å; K271-V275 WeakPolarHBondContact O-CG2 3.37Å; K271-V275 PolarHBondContact O-N 2.87Å
272L88.5Confident92Very high97 Ų9791.3 Ų91.351%0.50847%0.465SS..Hα-helixtrans-58.3-55.8176.1-171.280000110.6V268 V269 E274 V275 E276V268-L272 PolarHBondContact O-N 3.48Å; V269-L272 WeakPolarHBondContact O-CB 3.42Å; V269-L272 PolarHBondContact O-N 2.73Å; L272-E274 PolarHBondContact O-N 2.97Å; L272-V275 WeakPolarHBondContact O-CA 3.45Å; L272-V275 PolarHBondContact O-N 3.09Å; L272-E276 WeakPolarHBondContact CD2-OE1 3.28Å; L272-E276 HydrophobicContact CG-CG 4.36Å; L272-E276 WeakPolarHBondContact O-CG 3.48Å; L272-E276 PolarHBondContact O-N 3.18Å
273S92.1Very high92Very high48 Ų4891.4 Ų91.434%0.33646%0.463SS..Hα-helixtrans-62.9-16.4177.567.20000114.5V269 R270 E276 R277V269-S273 PolarHBondContact O-N 3.45Å; V269-S273 VanDerWaalsContact O-N 3.07Å; V269-S273 PolarHBondContact O-OG 2.92Å; R270-S273 PolarHBondContact O-OG 3.19Å; S273-E276 VanDerWaalsContact CA-OE2 3.29Å; S273-E276 WeakPolarHBondContact CA-OE2 3.41Å; S273-R277 PolarHBondContact O-NH2 3.32Å
274E92.8Very high92.1Very high52 Ų5290.1 Ų90.124%0.24346%0.46CS..Hα-helixtrans-80.5-39.1171.2-138.8-169.4122.700112.1K115 R270 K271 L272 S278K115-E274 WeakPolarHBondContact CD-OE1 3.39Å; K115-E274 WeakPolarHBondContact CE-OE1 3.45Å; K115-E274 IonicContact NZ-OE1 2.8Å; K115-E274 PolarHBondContact NZ-OE1 3.48Å; K115-E274 IonicContact NZ-OE2 3.67Å; K115-E274 PolarHBondContact NZ-OE2 3.3Å; R270-E274 IonicContact CZ-OE2 3.85Å; R270-E274 IonicContact NH1-OE2 2.62Å; R270-E274 PolarHBondContact NH1-OE2 3.42Å; R270-E274 IonicContact NH2-OE2 3.38Å; R270-E274 PolarHBondContact O-N 3.1Å; K271-E274 VanDerWaalsContact O-CB 3.31Å; K271-E274 WeakPolarHBondContact O-CB 3.49Å; K271-E274 PolarHBondContact O-N 3.5Å; L272-E274 PolarHBondContact O-N 2.97Å; E274-S278 PolarHBondContact O-N 3.48Å; E274-S278 PolarHBondContact O-OG 2.95Å
275V91.7Very high92.2Very high82 Ų8290.9 Ų90.950%0.49746%0.464SS..Hα-helixtrans-72.1-44.3176.1172.60000111.1K271 L272 R277 S278 L279K271-V275 WeakPolarHBondContact O-CG2 3.37Å; K271-V275 PolarHBondContact O-N 2.87Å; L272-V275 WeakPolarHBondContact O-CA 3.45Å; L272-V275 PolarHBondContact O-N 3.09Å; V275-R277 VanDerWaalsContact C-N 3.26Å; V275-R277 PolarHBondContact O-N 3.38Å; V275-S278 WeakPolarHBondContact CA-OG 3.46Å; V275-S278 PolarHBondContact O-N 3.25Å; V275-S278 VanDerWaalsContact O-N 3.08Å; V275-S278 PolarHBondContact O-OG 2.75Å; V275-L279 WeakPolarHBondContact O-CB 3.29Å; V275-L279 PolarHBondContact O-N 3.06Å
276E91.1Very high91.9Very high109 Ų10988.2 Ų88.251%0.50946%0.462SS..Hα-helixtrans-55.1-42.2175.9-70.1168.2160.200111.5L272 S273 L279 S280L272-E276 WeakPolarHBondContact CD2-OE1 3.28Å; L272-E276 HydrophobicContact CG-CG 4.36Å; L272-E276 WeakPolarHBondContact O-CG 3.48Å; L272-E276 PolarHBondContact O-N 3.18Å; S273-E276 VanDerWaalsContact CA-OE2 3.29Å; S273-E276 WeakPolarHBondContact CA-OE2 3.41Å; E276-L279 PolarHBondContact O-N 2.97Å; E276-S280 PolarHBondContact O-N 2.86Å
277R94.9Very high91.8Very high136 Ų13687.5 Ų87.551%0.51346%0.462SS..Hα-helixtrans-68.4-40.7175.4-163.1-169.6-43.295.614.2112.6S273 V275 L279 S280 N281S273-R277 PolarHBondContact O-NH2 3.32Å; V275-R277 VanDerWaalsContact C-N 3.26Å; V275-R277 PolarHBondContact O-N 3.38Å; R277-L279 VanDerWaalsContact C-N 3.29Å; R277-L279 PolarHBondContact O-N 3.13Å; R277-S280 PolarHBondContact O-N 2.98Å; R277-N281 PolarHBondContact O-N 3.4Å; R277-N281 PolarHBondContact O-OD1 2.89Å; R277-N281 VanDerWaalsContact O-OD1 3.07Å
278S90.4Very high91.9Very high62 Ų6289.3 Ų89.343%0.43447%0.47SS..Hα-helixtrans-65.9-33.7175570000112.4E274 V275 N281 T282E274-S278 PolarHBondContact O-N 3.48Å; E274-S278 PolarHBondContact O-OG 2.95Å; V275-S278 WeakPolarHBondContact CA-OG 3.46Å; V275-S278 PolarHBondContact O-N 3.25Å; V275-S278 VanDerWaalsContact O-N 3.08Å; V275-S278 PolarHBondContact O-OG 2.75Å; S278-N281 PolarHBondContact O-N 3.49Å; S278-T282 WeakPolarHBondContact O-CG2 3.42Å; S278-T282 PolarHBondContact O-N 2.92Å; S278-T282 PolarHBondContact O-OG1 2.93Å
279L88Confident91.9Very high90 Ų9090 Ų9047%0.47147%0.47SS..Hα-helixtrans-63.6-52.4174.7179.562.6000110.4V275 E276 R277 N281 T282 E283V275-L279 WeakPolarHBondContact O-CB 3.29Å; V275-L279 PolarHBondContact O-N 3.06Å; E276-L279 PolarHBondContact O-N 2.97Å; R277-L279 VanDerWaalsContact C-N 3.29Å; R277-L279 PolarHBondContact O-N 3.13Å; L279-N281 VanDerWaalsContact C-N 3.31Å; L279-N281 PolarHBondContact O-N 3.41Å; L279-T282 WeakPolarHBondContact CA-OG1 3.25Å; L279-T282 CarbonylContact O-C 3.54Å; L279-T282 WeakPolarHBondContact O-CA 3.46Å; L279-T282 PolarHBondContact O-N 3.35Å; L279-T282 PolarHBondContact O-OG1 3.2Å; L279-E283 HydrophobicContact CD1-CG 4.3Å; L279-E283 HydrophobicContact CG-CG 4.43Å; L279-E283 WeakPolarHBondContact O-CG 3.38Å; L279-E283 PolarHBondContact O-N 3.35Å
280S96.1Very high91.9Very high54 Ų5492 Ų9238%0.37847%0.472SS..Hα-helixtrans-52.3-47.3175.1-172.70000111.9E276 R277 T282 E283 D284E276-S280 PolarHBondContact O-N 2.86Å; R277-S280 PolarHBondContact O-N 2.98Å; S280-T282 VanDerWaalsContact C-N 3.34Å; S280-T282 PolarHBondContact O-N 2.97Å; S280-E283 PolarHBondContact O-N 3.48Å; S280-D284 PolarHBondContact O-N 3.07Å
281N93.1Very high91.9Very high87 Ų8791.4 Ų91.447%0.46547%0.474SS..Hα-helixtrans-59.3-42.1176-74.930.7000112.3R277 S278 L279 E283 D284 E285R277-N281 PolarHBondContact O-N 3.4Å; R277-N281 PolarHBondContact O-OD1 2.89Å; R277-N281 VanDerWaalsContact O-OD1 3.07Å; S278-N281 PolarHBondContact O-N 3.49Å; L279-N281 VanDerWaalsContact C-N 3.31Å; L279-N281 PolarHBondContact O-N 3.41Å; N281-E283 VanDerWaalsContact C-N 3.34Å; N281-D284 PolarHBondContact O-N 2.86Å; N281-E285 WeakPolarHBondContact O-CG 3.35Å; N281-E285 PolarHBondContact O-N 3.24Å
282T88.9Confident91.9Very high74 Ų7491.3 Ų91.345%0.45448%0.476SS..Hα-helixtrans-72.4-25.6177.353.30000113.5S278 L279 S280 C286S278-T282 WeakPolarHBondContact O-CG2 3.42Å; S278-T282 PolarHBondContact O-N 2.92Å; S278-T282 PolarHBondContact O-OG1 2.93Å; L279-T282 WeakPolarHBondContact CA-OG1 3.25Å; L279-T282 CarbonylContact O-C 3.54Å; L279-T282 WeakPolarHBondContact O-CA 3.46Å; L279-T282 PolarHBondContact O-N 3.35Å; L279-T282 PolarHBondContact O-OG1 3.2Å; S280-T282 VanDerWaalsContact C-N 3.34Å; S280-T282 PolarHBondContact O-N 2.97Å; T282-C286 WeakPolarHBondContact O-CB 3.23Å; T282-C286 PolarHBondContact O-N 2.88Å
283E91.5Very high91.9Very high108 Ų10891.5 Ų91.551%0.50548%0.478SS..Hα-helixtrans-72.2-40.8172.1-70.3171.9158.500110.7L279 S280 N281 C286 T287L279-E283 HydrophobicContact CD1-CG 4.3Å; L279-E283 HydrophobicContact CG-CG 4.43Å; L279-E283 WeakPolarHBondContact O-CG 3.38Å; L279-E283 PolarHBondContact O-N 3.35Å; S280-E283 PolarHBondContact O-N 3.48Å; N281-E283 VanDerWaalsContact C-N 3.34Å; E283-C286 PolarHBondContact O-N 3.35Å; E283-T287 WeakPolarHBondContact O-CG2 3.38Å; E283-T287 PolarHBondContact O-N 2.93Å; E283-T287 PolarHBondContact O-OG1 2.91Å
284D95Very high91.9Very high99 Ų9993.7 Ų93.753%0.52948%0.483SS..Hα-helixtrans-62.8-44.6171.3-67.3-32.9000111.7S280 N281 T287 H288S280-D284 PolarHBondContact O-N 3.07Å; N281-D284 PolarHBondContact O-N 2.86Å; D284-T287 WeakPolarHBondContact CA-OG1 3.43Å; D284-T287 PolarHBondContact O-N 2.57Å; D284-T287 PolarHBondContact O-OG1 2.75Å; D284-H288 WeakPolarHBondContact O-CB 3.21Å; D284-H288 PolarHBondContact O-N 3.49Å
285E93.3Very high92Very high125 Ų12597 Ų9758%0.58449%0.493SS*.Hα-helixtrans-63.2-41.3174.3-74.6174.4-163.800112N281 H288 L289N281-E285 WeakPolarHBondContact O-CG 3.35Å; N281-E285 PolarHBondContact O-N 3.24Å; E285-H288 PolarHBondContact O-N 2.92Å; E285-L289 WeakPolarHBondContact O-CB 3.21Å; E285-L289 WeakPolarHBondContact O-CG 3.38Å; E285-L289 PolarHBondContact O-N 3.34Å
286C84.7Confident92Very high84 Ų8495.8 Ų95.857%0.56849%0.486SS*.Hα-helixtrans-68.4-39179.4-171.90000112.4T282 E283 K290T282-C286 WeakPolarHBondContact O-CB 3.23Å; T282-C286 PolarHBondContact O-N 2.88Å; E283-C286 PolarHBondContact O-N 3.35Å; C286-K290 WeakPolarHBondContact O-CB 3.13Å; C286-K290 PolarHBondContact O-N 3.39Å
287T92.1Very high92Very high80 Ų8095.7 Ų95.749%0.49149%0.485SS..Hα-helixtrans-67.3-41.9174.749.40000111.2E283 D284 L289 K290 E291E283-T287 WeakPolarHBondContact O-CG2 3.38Å; E283-T287 PolarHBondContact O-N 2.93Å; E283-T287 PolarHBondContact O-OG1 2.91Å; D284-T287 WeakPolarHBondContact CA-OG1 3.43Å; D284-T287 PolarHBondContact O-N 2.57Å; D284-T287 PolarHBondContact O-OG1 2.75Å; T287-L289 PolarHBondContact O-N 3.4Å; T287-K290 WeakPolarHBondContact O-CB 3.25Å; T287-K290 PolarHBondContact O-N 2.95Å; T287-E291 PolarHBondContact O-N 2.96Å
288H94.4Very high92Very high107 Ų10793.2 Ų93.250%0.49548%0.48SS..Hα-helixtrans-61-44174.7-172.967.6000113D284 E285 K290 E291 M292D284-H288 WeakPolarHBondContact O-CB 3.21Å; D284-H288 PolarHBondContact O-N 3.49Å; E285-H288 PolarHBondContact O-N 2.92Å; H288-K290 VanDerWaalsContact C-N 3.3Å; H288-K290 PolarHBondContact O-N 3.01Å; H288-E291 PolarHBondContact O-N 3.13Å; H288-M292 PolarHBondContact O-N 3.19Å
289L91.4Very high92.2Very high107 Ų10796.6 Ų96.656%0.5649%0.489SS*.Hα-helixtrans-63-36.2174.8-74.5171.2000112.2E285 T287 M292 N293E285-L289 WeakPolarHBondContact O-CB 3.21Å; E285-L289 WeakPolarHBondContact O-CG 3.38Å; E285-L289 PolarHBondContact O-N 3.34Å; T287-L289 PolarHBondContact O-N 3.4Å; L289-M292 HydrophobicContact CD2-CE 4.49Å; L289-M292 PolarHBondContact O-N 3.13Å; L289-N293 WeakPolarHBondContact O-CB 3.23Å; L289-N293 PolarHBondContact O-N 2.59Å
290K92.2Very high92.3Very high125 Ų12597.9 Ų97.954%0.54350%0.495SS..Hα-helixtrans-65.8-47.6175.2-176.8175.2179.1-77.90111.8C286 T287 H288 M292 N293 E294C286-K290 WeakPolarHBondContact O-CB 3.13Å; C286-K290 PolarHBondContact O-N 3.39Å; T287-K290 WeakPolarHBondContact O-CB 3.25Å; T287-K290 PolarHBondContact O-N 2.95Å; H288-K290 VanDerWaalsContact C-N 3.3Å; H288-K290 PolarHBondContact O-N 3.01Å; K290-M292 VanDerWaalsContact C-N 3.27Å; K290-M292 PolarHBondContact O-N 2.73Å; K290-N293 WeakPolarHBondContact O-CB 3.48Å; K290-N293 PolarHBondContact O-N 3.39Å; K290-E294 WeakPolarHBondContact CE-OE1 3.42Å; K290-E294 IonicContact NZ-OE1 3.73Å; K290-E294 PolarHBondContact NZ-OE1 3.36Å; K290-E294 WeakPolarHBondContact O-CG 3.41Å; K290-E294 PolarHBondContact O-N 2.88Å
291E95.1Very high92.3Very high99 Ų99101.3 Ų101.346%0.46350%0.5SS..Hα-helixtrans-59.7-38.1174.7-69.2-175.8-179.700112.6T287 H288 R295T287-E291 PolarHBondContact O-N 2.96Å; H288-E291 PolarHBondContact O-N 3.13Å; E291-R295 WeakPolarHBondContact O-CB 3.47Å; E291-R295 WeakPolarHBondContact O-CG 3.44Å; E291-R295 PolarHBondContact O-N 3.38Å; E291-R295 PolarHBondContact O-NE 3.19Å; E291-R295 IonicContact OE2-CZ 2.69Å; E291-R295 IonicContact OE2-NH2 2.7Å; E291-R295 PolarHBondContact OE2-NH2 2.85Å
292M93.3Very high92.4Very high92 Ų92101.9 Ų101.945%0.45350%0.5SS..Hα-helixtrans-67.7-40.6178.3-165.8-175.577.100111H288 L289 K290 R295 T296H288-M292 PolarHBondContact O-N 3.19Å; L289-M292 HydrophobicContact CD2-CE 4.49Å; L289-M292 PolarHBondContact O-N 3.13Å; K290-M292 VanDerWaalsContact C-N 3.27Å; K290-M292 PolarHBondContact O-N 2.73Å; M292-R295 PolarHBondContact O-N 2.95Å; M292-T296 WeakPolarHBondContact O-CG2 3.12Å; M292-T296 PolarHBondContact O-N 2.93Å; M292-T296 PolarHBondContact O-OG1 3.35Å
293N87.3Confident92.6Very high101 Ų101103.6 Ų103.654%0.5451%0.506SS..Hα-helixtrans-61.9-50.4174.1-169.5-22.8000111L289 K290 R295 T296 Q297L289-N293 WeakPolarHBondContact O-CB 3.23Å; L289-N293 PolarHBondContact O-N 2.59Å; K290-N293 WeakPolarHBondContact O-CB 3.48Å; K290-N293 PolarHBondContact O-N 3.39Å; N293-R295 VanDerWaalsContact C-N 3.28Å; N293-R295 PolarHBondContact O-N 2.74Å; N293-T296 WeakPolarHBondContact CA-OG1 3.43Å; N293-T296 PolarHBondContact O-N 2.61Å; N293-T296 VanDerWaalsContact O-N 3.08Å; N293-T296 PolarHBondContact O-OG1 2.83Å; N293-Q297 WeakPolarHBondContact O-CB 3.47Å; N293-Q297 PolarHBondContact O-N 3.5Å
294E93.1Very high92.6Very high94 Ų94100.7 Ų100.744%0.43950%0.5SS..Hα-helixtrans-55.7-41176.4-73.5173.1-176.400112.2K290 Q297 E298K290-E294 WeakPolarHBondContact CE-OE1 3.42Å; K290-E294 IonicContact NZ-OE1 3.73Å; K290-E294 PolarHBondContact NZ-OE1 3.36Å; K290-E294 WeakPolarHBondContact O-CG 3.41Å; K290-E294 PolarHBondContact O-N 2.88Å; E294-Q297 PolarHBondContact O-N 3.4Å; E294-E298 PolarHBondContact O-N 3.43Å; E294-E298 VanDerWaalsContact O-N 3.1Å
295R95Very high92.6Very high121 Ų121100.7 Ų100.746%0.45750%0.5SS..Hα-helixtrans-61.5-50.9172.3-78.4176.3-100.7150.1-11.8112.4E291 M292 N293 Q297 E298 E299E291-R295 WeakPolarHBondContact O-CB 3.47Å; E291-R295 WeakPolarHBondContact O-CG 3.44Å; E291-R295 PolarHBondContact O-N 3.38Å; E291-R295 PolarHBondContact O-NE 3.19Å; E291-R295 IonicContact OE2-CZ 2.69Å; E291-R295 IonicContact OE2-NH2 2.7Å; E291-R295 PolarHBondContact OE2-NH2 2.85Å; M292-R295 PolarHBondContact O-N 2.95Å; N293-R295 VanDerWaalsContact C-N 3.28Å; N293-R295 PolarHBondContact O-N 2.74Å; R295-Q297 PolarHBondContact O-N 3.03Å; R295-E298 PolarHBondContact O-N 3.46Å; R295-E298 VanDerWaalsContact O-N 3.16Å; R295-E299 PolarHBondContact O-N 3.14Å
296T90.3Very high92.7Very high58 Ų58100.7 Ų100.736%0.35650%0.498SS..Hα-helixtrans-63.8-29.5177.756.70000113.2M292 N293 L300M292-T296 WeakPolarHBondContact O-CG2 3.12Å; M292-T296 PolarHBondContact O-N 2.93Å; M292-T296 PolarHBondContact O-OG1 3.35Å; N293-T296 WeakPolarHBondContact CA-OG1 3.43Å; N293-T296 PolarHBondContact O-N 2.61Å; N293-T296 VanDerWaalsContact O-N 3.08Å; N293-T296 PolarHBondContact O-OG1 2.83Å; T296-L300 WeakPolarHBondContact O-CB 3.34Å; T296-L300 VanDerWaalsContact O-CG 3.31Å; T296-L300 WeakPolarHBondContact O-CG 3.41Å; T296-L300 PolarHBondContact O-N 3.2Å
297Q92Very high93Very high106 Ų106104.3 Ų104.350%0.49550%0.501SS..Hα-helixtrans-71-34.9176-166.3176.329.500111.8N293 E294 R295 R301N293-Q297 WeakPolarHBondContact O-CB 3.47Å; N293-Q297 PolarHBondContact O-N 3.5Å; E294-Q297 PolarHBondContact O-N 3.4Å; R295-Q297 PolarHBondContact O-N 3.03Å; Q297-R301 WeakPolarHBondContact O-CB 3.32Å; Q297-R301 PolarHBondContact O-N 2.91Å
298E95.4Very high93.1Very high85 Ų85104.5 Ų104.540%0.39750%0.499SS..Hα-helixtrans-73.3-38.2173.2-163.559.4-147.900112E294 R295 L300 R301 E302E294-E298 PolarHBondContact O-N 3.43Å; E294-E298 VanDerWaalsContact O-N 3.1Å; R295-E298 PolarHBondContact O-N 3.46Å; R295-E298 VanDerWaalsContact O-N 3.16Å; E298-L300 VanDerWaalsContact C-N 3.3Å; E298-L300 PolarHBondContact O-N 3.35Å; E298-R301 CarbonylContact O-C 3.54Å; E298-R301 WeakPolarHBondContact O-CB 3.35Å; E298-R301 PolarHBondContact O-N 2.88Å; E298-R301 VanDerWaalsContact O-N 3.1Å; E298-R301 WeakPolarHBondContact OE1-CD 3.48Å; E298-R301 IonicContact OE2-CZ 2.81Å; E298-R301 IonicContact OE2-NE 2.72Å; E298-R301 IonicContact OE2-NH1 3.42Å; E298-R301 PolarHBondContact OE2-NH1 2.98Å; E298-E302 PolarHBondContact O-N 3.34Å
299E94.5Very high93.1Very high133 Ų133100.8 Ų100.862%0.62149%0.49SS*.Hα-helixtrans-58.4-41.7171.6-71.2174178.700111.9R295 E302 L303R295-E299 PolarHBondContact O-N 3.14Å; E299-E302 PolarHBondContact O-N 2.81Å; E299-L303 WeakPolarHBondContact O-CB 3.34Å; E299-L303 PolarHBondContact O-N 3.23Å
300L90.6Very high93.1Very high116 Ų11697.7 Ų97.761%0.60748%0.48SS*.Hα-helixtrans-66.7-37.2173.3-73.9170000112.5T296 E298 L303 A304T296-L300 WeakPolarHBondContact O-CB 3.34Å; T296-L300 VanDerWaalsContact O-CG 3.31Å; T296-L300 WeakPolarHBondContact O-CG 3.41Å; T296-L300 PolarHBondContact O-N 3.2Å; E298-L300 VanDerWaalsContact C-N 3.3Å; E298-L300 PolarHBondContact O-N 3.35Å; L300-L303 PolarHBondContact O-N 2.66Å; L300-A304 WeakPolarHBondContact O-CB 3.32Å; L300-A304 PolarHBondContact O-N 2.98Å
301R94.5Very high93.2Very high126 Ų12694.7 Ų94.748%0.47547%0.472SS..Hα-helixtrans-65.5-43.1174.7-179.4177.2-74.5132-1.7111.5Q297 E298 A304 N305Q297-R301 WeakPolarHBondContact O-CB 3.32Å; Q297-R301 PolarHBondContact O-N 2.91Å; E298-R301 CarbonylContact O-C 3.54Å; E298-R301 WeakPolarHBondContact O-CB 3.35Å; E298-R301 PolarHBondContact O-N 2.88Å; E298-R301 VanDerWaalsContact O-N 3.1Å; E298-R301 WeakPolarHBondContact OE1-CD 3.48Å; E298-R301 IonicContact OE2-CZ 2.81Å; E298-R301 IonicContact OE2-NE 2.72Å; E298-R301 IonicContact OE2-NH1 3.42Å; E298-R301 PolarHBondContact OE2-NH1 2.98Å; R301-A304 PolarHBondContact O-N 2.95Å; R301-N305 WeakPolarHBondContact O-CB 3.35Å; R301-N305 VanDerWaalsContact O-CG 3.24Å; R301-N305 PolarHBondContact O-N 3.43Å; R301-N305 PolarHBondContact O-ND2 3.43Å
302E94.9Very high93.1Very high99 Ų9994.7 Ų94.746%0.46348%0.475SS..Hα-helixtrans-59.2-44.6171.1-85.9-158.9-158.200112.1E298 E299 N305 K306E298-E302 PolarHBondContact O-N 3.34Å; E299-E302 PolarHBondContact O-N 2.81Å; E302-N305 PolarHBondContact O-N 2.94Å; E302-K306 WeakPolarHBondContact O-CD 3.4Å; E302-K306 VanDerWaalsContact O-CG 3.26Å; E302-K306 WeakPolarHBondContact O-CG 3.38Å; E302-K306 PolarHBondContact O-N 2.82Å; E302-K306 WeakPolarHBondContact OE2-CE 3.14Å; E302-K306 IonicContact OE2-NZ 2.71Å; E302-K306 PolarHBondContact OE2-NZ 3.26Å
303L94.1Very high93.2Very high111 Ų11196.7 Ų96.758%0.58148%0.483SS*.Hα-helixtrans-65.3-41.2179.8-174.361000111.8E299 L300 K306 Y307E299-L303 WeakPolarHBondContact O-CB 3.34Å; E299-L303 PolarHBondContact O-N 3.23Å; L300-L303 PolarHBondContact O-N 2.66Å; L303-K306 PolarHBondContact O-N 2.93Å; L303-Y307 WeakPolarHBondContact O-CB 3.2Å; L303-Y307 PolarHBondContact O-N 3.22Å
304A91Very high93.4Very high47 Ų4797.4 Ų97.439%0.38849%0.486SS..Hα-helixtrans-62.7-40.1173.200000112.1L300 R301 Y307 N308L300-A304 WeakPolarHBondContact O-CB 3.32Å; L300-A304 PolarHBondContact O-N 2.98Å; R301-A304 PolarHBondContact O-N 2.95Å; A304-Y307 PolarHBondContact O-N 3.04Å; A304-N308 WeakPolarHBondContact O-CB 3.4Å; A304-N308 VanDerWaalsContact O-CG 3.24Å; A304-N308 PolarHBondContact O-N 2.99Å; A304-N308 PolarHBondContact O-ND2 3.29Å
305N94.6Very high93.4Very high99 Ų9999 Ų9953%0.52949%0.491SS..Hα-helixtrans-64.3-42174.7-72.8-24000112.1R301 E302 N308 G309R301-N305 WeakPolarHBondContact O-CB 3.35Å; R301-N305 VanDerWaalsContact O-CG 3.24Å; R301-N305 PolarHBondContact O-N 3.43Å; R301-N305 PolarHBondContact O-ND2 3.43Å; E302-N305 PolarHBondContact O-N 2.94Å; N305-N308 PolarHBondContact O-N 2.89Å; N305-G309 PolarHBondContact O-N 3.24Å
306K95.4Very high93.4Very high124 Ų12497.6 Ų97.654%0.53949%0.493SS..Hα-helixtrans-63.6-42.1175.2-69.6159.4-168.2165.40111.5E302 L303 G309 A310E302-K306 WeakPolarHBondContact O-CD 3.4Å; E302-K306 VanDerWaalsContact O-CG 3.26Å; E302-K306 WeakPolarHBondContact O-CG 3.38Å; E302-K306 PolarHBondContact O-N 2.82Å; E302-K306 WeakPolarHBondContact OE2-CE 3.14Å; E302-K306 IonicContact OE2-NZ 2.71Å; E302-K306 PolarHBondContact OE2-NZ 3.26Å; L303-K306 PolarHBondContact O-N 2.93Å; K306-G309 PolarHBondContact O-N 3.05Å; K306-A310 PolarHBondContact O-N 3.16Å; K306-A310 VanDerWaalsContact O-N 3.08Å
307Y91.8Very high93.5Very high160 Ų160100.2 Ų100.263%0.62750%0.504SS*.Hα-helixtrans-61.8-47.4174.1178.1-97.3000112.2L303 A304 G309 A310 V311L303-Y307 WeakPolarHBondContact O-CB 3.2Å; L303-Y307 PolarHBondContact O-N 3.22Å; A304-Y307 PolarHBondContact O-N 3.04Å; Y307-G309 VanDerWaalsContact C-N 3.26Å; Y307-G309 PolarHBondContact O-N 3.24Å; Y307-A310 PolarHBondContact O-N 3.04Å; Y307-A310 VanDerWaalsContact O-N 3.14Å; Y307-V311 HydrophobicContact CD1-CG2 4.06Å; Y307-V311 HydrophobicContact CE1-CG2 3.62Å; Y307-V311 HydrophobicContact CE2-CG2 4.24Å; Y307-V311 WeakPolarHBondContact O-CG2 3.37Å; Y307-V311 PolarHBondContact O-N 2.74Å
308N93.5Very high93.6Very high85 Ų8597.5 Ų97.546%0.45550%0.497SS..Hα-helixtrans-61.4-34.9176.4-71.6-24.3000112.3A304 N305 N312A304-N308 WeakPolarHBondContact O-CB 3.4Å; A304-N308 VanDerWaalsContact O-CG 3.24Å; A304-N308 PolarHBondContact O-N 2.99Å; A304-N308 PolarHBondContact O-ND2 3.29Å; N305-N308 PolarHBondContact O-N 2.89Å; N308-N312 PolarHBondContact O-N 3.01Å; N308-N312 VanDerWaalsContact O-N 3.07Å; N308-N312 PolarHBondContact O-ND2 3.46Å; N308-N312 VanDerWaalsContact O-ND2 3.08Å
309G94.5Very high93.5Very high29 Ų2996.5 Ų96.530%0.29949%0.494SS..Hα-helixtrans-58-54.1169.700000112.1N305 K306 Y307 V311 N312 E313N305-G309 PolarHBondContact O-N 3.24Å; K306-G309 PolarHBondContact O-N 3.05Å; Y307-G309 VanDerWaalsContact C-N 3.26Å; Y307-G309 PolarHBondContact O-N 3.24Å; G309-V311 VanDerWaalsContact C-N 3.33Å; G309-V311 PolarHBondContact O-N 2.94Å; G309-N312 WeakPolarHBondContact O-CB 3.49Å; G309-N312 PolarHBondContact O-N 2.9Å; G309-N312 VanDerWaalsContact O-N 3.11Å; G309-E313 PolarHBondContact O-N 2.99Å
310A92.8Very high93.5Very high42 Ų4295.9 Ų95.935%0.34749%0.489SS..Hα-helixtrans-61.2-37.3178.300000113.2K306 Y307 N312 E313 I314K306-A310 PolarHBondContact O-N 3.16Å; K306-A310 VanDerWaalsContact O-N 3.08Å; Y307-A310 PolarHBondContact O-N 3.04Å; Y307-A310 VanDerWaalsContact O-N 3.14Å; A310-N312 VanDerWaalsContact C-N 3.34Å; A310-E313 PolarHBondContact O-N 2.85Å; A310-I314 WeakPolarHBondContact O-CB 3.45Å; A310-I314 WeakPolarHBondContact O-CD1 3.46Å; A310-I314 VanDerWaalsContact O-CG1 3.25Å; A310-I314 WeakPolarHBondContact O-CG1 3.25Å; A310-I314 PolarHBondContact O-N 3.31Å
311V92.9Very high93.5Very high61 Ų6195 Ų9537%0.3749%0.485SS..Hα-helixtrans-63.5-39.9174.3170.40000111.5Y307 G309 I314 K315Y307-V311 HydrophobicContact CD1-CG2 4.06Å; Y307-V311 HydrophobicContact CE1-CG2 3.62Å; Y307-V311 HydrophobicContact CE2-CG2 4.24Å; Y307-V311 WeakPolarHBondContact O-CG2 3.37Å; Y307-V311 PolarHBondContact O-N 2.74Å; G309-V311 VanDerWaalsContact C-N 3.33Å; G309-V311 PolarHBondContact O-N 2.94Å; V311-I314 PolarHBondContact O-N 3.34Å; V311-K315 PolarHBondContact O-N 3.43Å
312N93.3Very high93.5Very high100 Ų10094.4 Ų94.454%0.53549%0.485SS..Hα-helixtrans-66.6-42174.3-71.9-38.8000111.7N308 G309 A310 I314 K315 D316N308-N312 PolarHBondContact O-N 3.01Å; N308-N312 VanDerWaalsContact O-N 3.07Å; N308-N312 PolarHBondContact O-ND2 3.46Å; N308-N312 VanDerWaalsContact O-ND2 3.08Å; G309-N312 WeakPolarHBondContact O-CB 3.49Å; G309-N312 PolarHBondContact O-N 2.9Å; G309-N312 VanDerWaalsContact O-N 3.11Å; A310-N312 VanDerWaalsContact C-N 3.34Å; N312-I314 PolarHBondContact O-N 3.33Å; N312-K315 WeakPolarHBondContact O-CB 3.45Å; N312-K315 PolarHBondContact O-N 3.21Å; N312-D316 WeakPolarHBondContact O-CB 3.46Å; N312-D316 PolarHBondContact O-N 3.02Å
313E95.1Very high93.4Very high134 Ų13493.8 Ų93.863%0.62649%0.488SS*.Hα-helixtrans-61.2-42.6174.6-70.9177.9-171.900112.4G309 A310 K315 D316 L317G309-E313 PolarHBondContact O-N 2.99Å; A310-E313 PolarHBondContact O-N 2.85Å; E313-K315 VanDerWaalsContact C-N 3.34Å; E313-K315 PolarHBondContact O-N 2.84Å; E313-D316 WeakPolarHBondContact O-CB 3.21Å; E313-D316 PolarHBondContact O-N 3.42Å; E313-L317 WeakPolarHBondContact O-CB 3.39Å; E313-L317 VanDerWaalsContact O-CG 3.3Å; E313-L317 WeakPolarHBondContact O-CG 3.44Å; E313-L317 PolarHBondContact O-N 3.42Å
314I91.3Very high93.2Very high115 Ų11591.1 Ų91.159%0.5948%0.483SS*.Hα-helixtrans-61.5-41.7174.8-71.4164.2000111A310 V311 N312 L317 S318A310-I314 WeakPolarHBondContact O-CB 3.45Å; A310-I314 WeakPolarHBondContact O-CD1 3.46Å; A310-I314 VanDerWaalsContact O-CG1 3.25Å; A310-I314 WeakPolarHBondContact O-CG1 3.25Å; A310-I314 PolarHBondContact O-N 3.31Å; V311-I314 PolarHBondContact O-N 3.34Å; N312-I314 PolarHBondContact O-N 3.33Å; I314-L317 PolarHBondContact O-N 3.04Å; I314-S318 WeakPolarHBondContact O-CB 3.38Å; I314-S318 PolarHBondContact O-N 3.02Å
315K94Very high93.1Very high129 Ų12993.5 Ų93.556%0.56149%0.485SS*.Hα-helixtrans-62.9-48.1174.8-175.9-171.4173.6-169.80111.3V311 N312 E313 L317 S318 D319V311-K315 PolarHBondContact O-N 3.43Å; N312-K315 WeakPolarHBondContact O-CB 3.45Å; N312-K315 PolarHBondContact O-N 3.21Å; E313-K315 VanDerWaalsContact C-N 3.34Å; E313-K315 PolarHBondContact O-N 2.84Å; K315-L317 PolarHBondContact O-N 2.86Å; K315-S318 WeakPolarHBondContact O-CB 3.41Å; K315-S318 PolarHBondContact O-N 3.5Å; K315-D319 PolarHBondContact O-N 3.44Å
316D94.6Very high93Very high90 Ų9090.5 Ų90.548%0.48148%0.478SS..Hα-helixtrans-57.8-36.7177.7-115.852000112.4N312 E313 K320N312-D316 WeakPolarHBondContact O-CB 3.46Å; N312-D316 PolarHBondContact O-N 3.02Å; E313-D316 WeakPolarHBondContact O-CB 3.21Å; E313-D316 PolarHBondContact O-N 3.42Å; D316-K320 WeakPolarHBondContact O-CB 3.43Å; D316-K320 WeakPolarHBondContact O-CD 3.19Å; D316-K320 WeakPolarHBondContact O-CE 2.97Å; D316-K320 WeakPolarHBondContact O-CG 3.33Å; D316-K320 PolarHBondContact O-N 3.14Å; D316-K320 PolarHBondContact O-NZ 3.1Å; D316-K320 IonicContact OD2-NZ 3.31Å; D316-K320 PolarHBondContact OD2-NZ 3.1Å
317L93.3Very high92.8Very high114 Ų11490.3 Ų90.360%0.59748%0.477SS*.Hα-helixtrans-73.3-39.9173.8-71.3169.2000111.9E313 I314 K315 K320 L321E313-L317 WeakPolarHBondContact O-CB 3.39Å; E313-L317 VanDerWaalsContact O-CG 3.3Å; E313-L317 WeakPolarHBondContact O-CG 3.44Å; E313-L317 PolarHBondContact O-N 3.42Å; I314-L317 PolarHBondContact O-N 3.04Å; K315-L317 PolarHBondContact O-N 2.86Å; L317-K320 PolarHBondContact O-N 3.27Å; L317-L321 WeakPolarHBondContact O-CB 3.08Å; L317-L321 PolarHBondContact O-N 2.89Å
318S92.8Very high92.6Very high49 Ų4988.8 Ų88.834%0.34348%0.476SS..Hα-helixtrans-64.3-40.9176.2-177.80000112.5I314 K315 L321 K322I314-S318 WeakPolarHBondContact O-CB 3.38Å; I314-S318 PolarHBondContact O-N 3.02Å; K315-S318 WeakPolarHBondContact O-CB 3.41Å; K315-S318 PolarHBondContact O-N 3.5Å; S318-L321 WeakPolarHBondContact O-CB 3.49Å; S318-L321 PolarHBondContact O-N 3.39Å; S318-K322 WeakPolarHBondContact O-CG 3.47Å; S318-K322 PolarHBondContact O-N 2.89Å
319D94.5Very high92.4Very high64 Ų6490.6 Ų90.634%0.34248%0.482SS..Hα-helixtrans-72.9-31.1177.8-69.3-25.1000111.5K315 K322 V323K315-D319 PolarHBondContact O-N 3.44Å; D319-K322 IonicContact OD1-NZ 3.48Å; D319-K322 PolarHBondContact OD1-NZ 3.13Å; D319-V323 WeakPolarHBondContact O-CG2 3.39Å; D319-V323 PolarHBondContact O-N 2.92Å
320K94.6Very high92.2Very high119 Ų11995.6 Ų95.652%0.51750%0.497SS..Hα-helixtrans-66.1-37.8167.5-72.6160.7-160.9144.40112.3D316 L317 V323 A324D316-K320 WeakPolarHBondContact O-CB 3.43Å; D316-K320 WeakPolarHBondContact O-CD 3.19Å; D316-K320 WeakPolarHBondContact O-CE 2.97Å; D316-K320 WeakPolarHBondContact O-CG 3.33Å; D316-K320 PolarHBondContact O-N 3.14Å; D316-K320 PolarHBondContact O-NZ 3.1Å; D316-K320 IonicContact OD2-NZ 3.31Å; D316-K320 PolarHBondContact OD2-NZ 3.1Å; L317-K320 PolarHBondContact O-N 3.27Å; K320-V323 PolarHBondContact O-N 3.28Å; K320-A324 PolarHBondContact O-N 3.46Å; K320-A324 VanDerWaalsContact O-N 3.12Å
321L90.1Very high92Very high98 Ų9899.6 Ų99.651%0.51351%0.511SS..Hα-helixtrans-61-52.1176-167.488.6000110.7L317 S318 V323 A324 E325L317-L321 WeakPolarHBondContact O-CB 3.08Å; L317-L321 PolarHBondContact O-N 2.89Å; S318-L321 WeakPolarHBondContact O-CB 3.49Å; S318-L321 PolarHBondContact O-N 3.39Å; L321-V323 VanDerWaalsContact C-N 3.25Å; L321-V323 PolarHBondContact O-N 3.45Å; L321-A324 CarbonylContact O-C 3.27Å; L321-A324 WeakPolarHBondContact O-CA 3.44Å; L321-A324 WeakPolarHBondContact O-CB 3.43Å; L321-A324 PolarHBondContact O-N 3.14Å; L321-E325 WeakPolarHBondContact CD2-OE1 3.41Å; L321-E325 HydrophobicContact CG-CG 4.34Å; L321-E325 WeakPolarHBondContact O-CG 3.5Å; L321-E325 PolarHBondContact O-N 3.47Å
322K93.6Very high91.8Very high113 Ų113102.1 Ų102.149%0.49152%0.519SS..Hα-helixtrans-55.8-38.6177.6-66166.6-161.1158.40112.9S318 D319 A324 E325 G326S318-K322 WeakPolarHBondContact O-CG 3.47Å; S318-K322 PolarHBondContact O-N 2.89Å; D319-K322 IonicContact OD1-NZ 3.48Å; D319-K322 PolarHBondContact OD1-NZ 3.13Å; K322-A324 VanDerWaalsContact C-N 3.3Å; K322-A324 PolarHBondContact O-N 2.9Å; K322-E325 WeakPolarHBondContact CA-OE2 3.37Å; K322-E325 PolarHBondContact O-N 2.96Å; K322-G326 PolarHBondContact O-N 3.13Å
323V93.8Very high91.7Very high86 Ų86103.6 Ų103.652%0.52152%0.523SS..Hα-helixtrans-70.8-25.4176.7171.20000112.3D319 K320 L321 K327D319-V323 WeakPolarHBondContact O-CG2 3.39Å; D319-V323 PolarHBondContact O-N 2.92Å; K320-V323 PolarHBondContact O-N 3.28Å; L321-V323 VanDerWaalsContact C-N 3.25Å; L321-V323 PolarHBondContact O-N 3.45Å; V323-K327 WeakPolarHBondContact O-CD 3.31Å; V323-K327 VanDerWaalsContact O-CG 3.26Å; V323-K327 WeakPolarHBondContact O-CG 3.38Å
324A90.3Very high91.5Very high56 Ų56103.4 Ų103.446%0.46352%0.52SS..Hα-helixtrans-79.5-43.1170.400000111.7K320 L321 K322 K327 Q328K320-A324 PolarHBondContact O-N 3.46Å; K320-A324 VanDerWaalsContact O-N 3.12Å; L321-A324 CarbonylContact O-C 3.27Å; L321-A324 WeakPolarHBondContact O-CA 3.44Å; L321-A324 WeakPolarHBondContact O-CB 3.43Å; L321-A324 PolarHBondContact O-N 3.14Å; K322-A324 VanDerWaalsContact C-N 3.3Å; K322-A324 PolarHBondContact O-N 2.9Å; A324-K327 PolarHBondContact O-N 2.93Å; A324-Q328 PolarHBondContact O-N 3.31Å
325E89.4Confident91.4Very high96 Ų9699.6 Ų99.645%0.44951%0.509SS..Hα-helixtrans-58.7-51.3176.8-69.6168.7144.100111.1L321 K322 K327 Q328 E329L321-E325 WeakPolarHBondContact CD2-OE1 3.41Å; L321-E325 HydrophobicContact CG-CG 4.34Å; L321-E325 WeakPolarHBondContact O-CG 3.5Å; L321-E325 PolarHBondContact O-N 3.47Å; K322-E325 WeakPolarHBondContact CA-OE2 3.37Å; K322-E325 PolarHBondContact O-N 2.96Å; E325-K327 VanDerWaalsContact C-N 3.28Å; E325-K327 PolarHBondContact O-N 3.1Å; E325-Q328 CarbonylContact O-C 3.59Å; E325-Q328 WeakPolarHBondContact O-CA 3.35Å; E325-Q328 WeakPolarHBondContact O-CB 3.46Å; E325-Q328 PolarHBondContact O-N 2.98Å; E325-E329 PolarHBondContact O-N 3.02Å
326G91.6Very high91.1Very high36 Ų3698.6 Ų98.637%0.37151%0.506SS..Hα-helixtrans-61.6-31.6177.600000114.1K322 E330K322-G326 PolarHBondContact O-N 3.13Å; G326-E330 WeakPolarHBondContact O-CB 3.32Å; G326-E330 PolarHBondContact O-N 2.67Å
327K91.7Very high90.9Very high120 Ų12097 Ų9752%0.52251%0.505SS..Hα-helixtrans-72.5-35.3172.1-74.4173.9-175.8176.40112.3V323 A324 E325 E330 I331V323-K327 WeakPolarHBondContact O-CD 3.31Å; V323-K327 VanDerWaalsContact O-CG 3.26Å; V323-K327 WeakPolarHBondContact O-CG 3.38Å; A324-K327 PolarHBondContact O-N 2.93Å; E325-K327 VanDerWaalsContact C-N 3.28Å; E325-K327 PolarHBondContact O-N 3.1Å; K327-E330 PolarHBondContact O-N 3.3Å; K327-I331 WeakPolarHBondContact O-CB 3.22Å; K327-I331 WeakPolarHBondContact O-CD1 3.46Å; K327-I331 VanDerWaalsContact O-CG1 3.24Å; K327-I331 WeakPolarHBondContact O-CG1 3.41Å; K327-I331 PolarHBondContact O-N 2.77Å
328Q86.8Confident90.8Very high128 Ų12895.8 Ų95.860%0.59850%0.496SS*.Hα-helixtrans-66.3-40.9173.5-177.3175.1-3700110.6A324 E325 I331 Q332A324-Q328 PolarHBondContact O-N 3.31Å; E325-Q328 CarbonylContact O-C 3.59Å; E325-Q328 WeakPolarHBondContact O-CA 3.35Å; E325-Q328 WeakPolarHBondContact O-CB 3.46Å; E325-Q328 PolarHBondContact O-N 2.98Å; Q328-I331 PolarHBondContact O-N 3.05Å; Q328-Q332 WeakPolarHBondContact O-CB 3.24Å; Q328-Q332 PolarHBondContact O-N 3.49Å
329E89.1Confident90.7Very high124 Ų124100.6 Ų100.658%0.57951%0.511SS*.Hα-helixtrans-61.3-45.7171.9-69.8-172.4161.300112.2E325 I331 Q332 Q333E325-E329 PolarHBondContact O-N 3.02Å; E329-I331 PolarHBondContact O-N 2.72Å; E329-Q332 PolarHBondContact O-N 2.99Å; E329-Q333 WeakPolarHBondContact O-CB 3.19Å; E329-Q333 WeakPolarHBondContact O-CG 3.36Å; E329-Q333 PolarHBondContact O-N 3.24Å
330E90Very high90.5Very high134 Ų134104.7 Ų104.763%0.62653%0.526SS*.Hα-helixtrans-58.4-47.6176.1-173.8-176.4-173.300111.7G326 K327 Q332 Q333 K334G326-E330 WeakPolarHBondContact O-CB 3.32Å; G326-E330 PolarHBondContact O-N 2.67Å; K327-E330 PolarHBondContact O-N 3.3Å; E330-Q332 VanDerWaalsContact C-N 3.33Å; E330-Q332 PolarHBondContact O-N 2.84Å; E330-Q333 PolarHBondContact O-N 3.19Å; E330-K334 WeakPolarHBondContact O-CB 3.45Å; E330-K334 PolarHBondContact O-N 2.96Å
331I89.8Confident90.3Very high125 Ų125104 Ų10464%0.64153%0.525SS*.Hα-helixtrans-62.2-40.5175.9-69.9165.8000111.1K327 Q328 E329 K334 G335K327-I331 WeakPolarHBondContact O-CB 3.22Å; K327-I331 WeakPolarHBondContact O-CD1 3.46Å; K327-I331 VanDerWaalsContact O-CG1 3.24Å; K327-I331 WeakPolarHBondContact O-CG1 3.41Å; K327-I331 PolarHBondContact O-N 2.77Å; Q328-I331 PolarHBondContact O-N 3.05Å; E329-I331 PolarHBondContact O-N 2.72Å; I331-K334 PolarHBondContact O-N 3.39Å; I331-G335 PolarHBondContact O-N 3.49Å
332Q88.8Confident90.3Very high114 Ų114104.5 Ų104.553%0.53353%0.527SS..Hα-helixtrans-71.6-38.8-179.3-175164.5-3400112.3Q328 E329 E330 Q336Q328-Q332 WeakPolarHBondContact O-CB 3.24Å; Q328-Q332 PolarHBondContact O-N 3.49Å; E329-Q332 PolarHBondContact O-N 2.99Å; E330-Q332 VanDerWaalsContact C-N 3.33Å; E330-Q332 PolarHBondContact O-N 2.84Å; Q332-Q336 WeakPolarHBondContact O-CG 3.5Å; Q332-Q336 PolarHBondContact O-N 2.89Å
333Q90.8Very high90.2Very high132 Ų132103.4 Ų103.462%0.61752%0.524SS*.Hα-helixtrans-63.2-44.4170.9-72.7-178.831.500110.9E329 E330 Q336 A337E329-Q333 WeakPolarHBondContact O-CB 3.19Å; E329-Q333 WeakPolarHBondContact O-CG 3.36Å; E329-Q333 PolarHBondContact O-N 3.24Å; E330-Q333 PolarHBondContact O-N 3.19Å; Q333-Q336 PolarHBondContact O-N 3.12Å; Q333-A337 PolarHBondContact O-N 3.34Å
334K90.9Very high90.1Very high130 Ų130105.1 Ų105.157%0.56553%0.526SS*.Hα-helixtrans-61.4-46.7176.5-166.8-174.9-176.6-125.60111.9E330 I331 Q336 A337 E338E330-K334 WeakPolarHBondContact O-CB 3.45Å; E330-K334 PolarHBondContact O-N 2.96Å; I331-K334 PolarHBondContact O-N 3.39Å; K334-Q336 VanDerWaalsContact C-N 3.29Å; K334-Q336 PolarHBondContact O-N 3.36Å; K334-A337 WeakPolarHBondContact O-CB 3.26Å; K334-A337 PolarHBondContact O-N 3.03Å; K334-A337 VanDerWaalsContact O-N 3.08Å; K334-E338 WeakPolarHBondContact CE-OE1 3.5Å; K334-E338 IonicContact NZ-OE1 2.62Å; K334-E338 PolarHBondContact NZ-OE1 3.42Å; K334-E338 WeakPolarHBondContact O-CG 3.5Å; K334-E338 PolarHBondContact O-N 2.91Å
335G88.1Confident90.1Very high34 Ų34107.3 Ų107.335%0.35153%0.525SS..Hα-helixtrans-62.6-32.7175.200000113.4I331 K339I331-G335 PolarHBondContact O-N 3.49Å; G335-K339 VanDerWaalsContact O-CB 3.25Å; G335-K339 WeakPolarHBondContact O-CB 3.33Å; G335-K339 PolarHBondContact O-N 2.84Å
336Q88.4Confident90.1Very high108 Ų108106.7 Ų106.751%0.50552%0.524SS..Hα-helixtrans-70-36.6170.8-75.7-175.217.100112.8Q332 Q333 K334 K340Q332-Q336 WeakPolarHBondContact O-CG 3.5Å; Q332-Q336 PolarHBondContact O-N 2.89Å; Q333-Q336 PolarHBondContact O-N 3.12Å; K334-Q336 VanDerWaalsContact C-N 3.29Å; K334-Q336 PolarHBondContact O-N 3.36Å; Q336-K340 WeakPolarHBondContact O-CG 3.36Å; Q336-K340 PolarHBondContact O-N 2.98Å
337A90.4Very high90.1Very high56 Ų56108.7 Ų108.746%0.46353%0.526SS..Hα-helixtrans-67.5-49.1175.500000111.4Q333 K334 K339 K340 E341Q333-A337 PolarHBondContact O-N 3.34Å; K334-A337 WeakPolarHBondContact O-CB 3.26Å; K334-A337 PolarHBondContact O-N 3.03Å; K334-A337 VanDerWaalsContact O-N 3.08Å; A337-K339 VanDerWaalsContact C-N 3.28Å; A337-K339 PolarHBondContact O-N 3.27Å; A337-K340 WeakPolarHBondContact O-CB 3.36Å; A337-K340 PolarHBondContact O-N 3.35Å; A337-E341 PolarHBondContact O-N 2.92Å
338E91.1Very high90.1Very high89 Ų89106.7 Ų106.742%0.41652%0.519SS..Hα-helixtrans-57-40.9173.9-69.9172.8-175.300110.8K334 E341 L342K334-E338 WeakPolarHBondContact CE-OE1 3.5Å; K334-E338 IonicContact NZ-OE1 2.62Å; K334-E338 PolarHBondContact NZ-OE1 3.42Å; K334-E338 WeakPolarHBondContact O-CG 3.5Å; K334-E338 PolarHBondContact O-N 2.91Å; E338-E341 PolarHBondContact O-N 3.46Å; E338-L342 WeakPolarHBondContact O-CB 3.47Å; E338-L342 VanDerWaalsContact O-CG 3.32Å; E338-L342 WeakPolarHBondContact O-CG 3.31Å; E338-L342 PolarHBondContact O-N 2.62Å
339K90.1Very high90.1Very high151 Ų151106.2 Ų106.266%0.65752%0.518SS*.Hα-helixtrans-63.5-40173.4-176.5177.7178.9-179.50113.4G335 A337 Q343G335-K339 VanDerWaalsContact O-CB 3.25Å; G335-K339 WeakPolarHBondContact O-CB 3.33Å; G335-K339 PolarHBondContact O-N 2.84Å; A337-K339 VanDerWaalsContact C-N 3.28Å; A337-K339 PolarHBondContact O-N 3.27Å; K339-Q343 WeakPolarHBondContact O-CB 3.35Å; K339-Q343 PolarHBondContact O-N 3.3Å
340K90.8Very high90.1Very high149 Ų149104.9 Ų104.965%0.64851%0.512SS*.Hα-helixtrans-66.1-41176.5-76.2173.7-1791790111.5Q336 A337 Q343 H344Q336-K340 WeakPolarHBondContact O-CG 3.36Å; Q336-K340 PolarHBondContact O-N 2.98Å; A337-K340 WeakPolarHBondContact O-CB 3.36Å; A337-K340 PolarHBondContact O-N 3.35Å; K340-Q343 PolarHBondContact O-N 2.71Å; K340-H344 PolarHBondContact O-N 2.96Å
341E91.7Very high90.1Very high106 Ų106104.6 Ų104.650%0.49551%0.51SS..Hα-helixtrans-64.5-43.1176.3-166.8-164.3135.400111.6A337 E338 H344 K345A337-E341 PolarHBondContact O-N 2.92Å; E338-E341 PolarHBondContact O-N 3.46Å; E341-H344 PolarHBondContact O-N 3.34Å; E341-K345 WeakPolarHBondContact O-CG 3.4Å; E341-K345 PolarHBondContact O-N 2.83Å; E341-K345 WeakPolarHBondContact OE1-CE 3.28Å; E341-K345 IonicContact OE1-NZ 3.82Å; E341-K345 PolarHBondContact OE1-NZ 3.01Å
342L90.1Very high90.2Very high108 Ų108102.2 Ų102.257%0.56550%0.495SS*.Hα-helixtrans-65.7-37175.1-71.6172.3000112.5E338 K345 I346E338-L342 WeakPolarHBondContact O-CB 3.47Å; E338-L342 VanDerWaalsContact O-CG 3.32Å; E338-L342 WeakPolarHBondContact O-CG 3.31Å; E338-L342 PolarHBondContact O-N 2.62Å; L342-K345 PolarHBondContact O-N 3Å; L342-I346 WeakPolarHBondContact O-CG1 3.32Å; L342-I346 PolarHBondContact O-N 3.38Å
343Q90.1Very high90.1Very high90 Ų90103.3 Ų103.342%0.42150%0.5SS..Hα-helixtrans-62.9-49.8173.2-172.365.662.400110.9K339 K340 K345 I346 D347K339-Q343 WeakPolarHBondContact O-CB 3.35Å; K339-Q343 PolarHBondContact O-N 3.3Å; K340-Q343 PolarHBondContact O-N 2.71Å; Q343-K345 PolarHBondContact O-N 3.25Å; Q343-I346 WeakPolarHBondContact O-CA 3.47Å; Q343-I346 WeakPolarHBondContact O-CB 3.45Å; Q343-I346 PolarHBondContact O-N 3.45Å; Q343-D347 PolarHBondContact NE2-OD1 3.07Å; Q343-D347 PolarHBondContact O-N 2.85Å; Q343-D347 VanDerWaalsContact O-OD1 3.06Å
344H91.4Very high90Very high122 Ų122103.3 Ų103.357%0.56550%0.5SS*.Hα-helixtrans-57-35.7176.7-173.3-43.6000112.2K340 E341 D347 E348K340-H344 PolarHBondContact O-N 2.96Å; E341-H344 PolarHBondContact O-N 3.34Å; H344-D347 PolarHBondContact O-N 2.96Å; H344-E348 VanDerWaalsContact O-CB 3.25Å; H344-E348 WeakPolarHBondContact O-CB 3.45Å; H344-E348 PolarHBondContact O-N 3.41Å
345K92.1Very high89.9Confident102 Ų102103.6 Ų103.644%0.44350%0.504SS..Hα-helixtrans-72-25.3175.2-76.9170.2172.2171.90113.9E341 L342 Q343 M349E341-K345 WeakPolarHBondContact O-CG 3.4Å; E341-K345 PolarHBondContact O-N 2.83Å; E341-K345 WeakPolarHBondContact OE1-CE 3.28Å; E341-K345 IonicContact OE1-NZ 3.82Å; E341-K345 PolarHBondContact OE1-NZ 3.01Å; L342-K345 PolarHBondContact O-N 3Å; Q343-K345 PolarHBondContact O-N 3.25Å; K345-M349 WeakPolarHBondContact O-CG 3.46Å; K345-M349 PolarHBondContact O-N 2.93Å
346I89.1Confident90Very high83 Ų83107.1 Ų107.143%0.42651%0.514SS..Hα-helixtrans-73.8-51.3169.3-68.9163.2000108.6L342 Q343 E348 M349 E350L342-I346 WeakPolarHBondContact O-CG1 3.32Å; L342-I346 PolarHBondContact O-N 3.38Å; Q343-I346 WeakPolarHBondContact O-CA 3.47Å; Q343-I346 WeakPolarHBondContact O-CB 3.45Å; Q343-I346 PolarHBondContact O-N 3.45Å; I346-E348 VanDerWaalsContact C-N 3.3Å; I346-E348 PolarHBondContact O-N 3.1Å; I346-M349 CarbonylContact O-C 3.55Å; I346-M349 WeakPolarHBondContact O-CA 3.35Å; I346-M349 WeakPolarHBondContact O-CB 3.22Å; I346-M349 PolarHBondContact O-N 3.47Å; I346-E350 HydrophobicContact CG2-CG 4.24Å; I346-E350 WeakPolarHBondContact CG2-OE1 3.39Å; I346-E350 PolarHBondContact O-N 3.5Å
347D90.9Very high90Very high77 Ų77106.2 Ų106.241%0.41251%0.51SS..Hα-helixtrans-55.4-43.5180-52.2-12.7000111.5Q343 H344 M349 E350 E351Q343-D347 PolarHBondContact NE2-OD1 3.07Å; Q343-D347 PolarHBondContact O-N 2.85Å; Q343-D347 VanDerWaalsContact O-OD1 3.06Å; H344-D347 PolarHBondContact O-N 2.96Å; D347-M349 VanDerWaalsContact C-N 3.29Å; D347-M349 PolarHBondContact O-N 2.97Å; D347-E350 PolarHBondContact O-N 3.45Å; D347-E351 PolarHBondContact O-N 3.21Å
348E92.1Very high90Very high79 Ų79106.2 Ų106.237%0.36951%0.51SS..Hα-helixtrans-68.7-22176.3-164.9-159.7143.400113.5H344 I346 K352H344-E348 VanDerWaalsContact O-CB 3.25Å; H344-E348 WeakPolarHBondContact O-CB 3.45Å; H344-E348 PolarHBondContact O-N 3.41Å; I346-E348 VanDerWaalsContact C-N 3.3Å; I346-E348 PolarHBondContact O-N 3.1Å; E348-K352 VanDerWaalsContact O-CD 3.28Å; E348-K352 WeakPolarHBondContact O-CD 3.41Å; E348-K352 WeakPolarHBondContact O-CE 3.33Å; E348-K352 WeakPolarHBondContact O-CG 3.46Å; E348-K352 IonicContact OE1-NZ 3.4Å; E348-K352 PolarHBondContact OE1-NZ 3.37Å
349M86.3Confident89.9Confident118 Ų118108.8 Ų108.858%0.58152%0.52SS*.Hα-helixtrans-87.7-35.9174-73.8-64.4-56.600111.5K345 I346 D347 E351 K352 E353K345-M349 WeakPolarHBondContact O-CG 3.46Å; K345-M349 PolarHBondContact O-N 2.93Å; I346-M349 CarbonylContact O-C 3.55Å; I346-M349 WeakPolarHBondContact O-CA 3.35Å; I346-M349 WeakPolarHBondContact O-CB 3.22Å; I346-M349 PolarHBondContact O-N 3.47Å; D347-M349 VanDerWaalsContact C-N 3.29Å; D347-M349 PolarHBondContact O-N 2.97Å; M349-E351 VanDerWaalsContact C-N 3.34Å; M349-K352 PolarHBondContact O-N 2.9Å; M349-K352 HydrophobicContact SD-CD 4.3Å; M349-E353 WeakPolarHBondContact O-CB 3.44Å; M349-E353 PolarHBondContact O-N 3.11Å
350E89.2Confident89.8Confident96 Ų96105.4 Ų105.445%0.44951%0.508SS..Hα-helixtrans-64.4-37.1171.7-70.3-178.7-172.400111.5I346 D347 E353 Q354I346-E350 HydrophobicContact CG2-CG 4.24Å; I346-E350 WeakPolarHBondContact CG2-OE1 3.39Å; I346-E350 PolarHBondContact O-N 3.5Å; D347-E350 PolarHBondContact O-N 3.45Å; E350-E353 PolarHBondContact O-N 3.24Å; E350-Q354 VanDerWaalsContact O-CG 3.32Å; E350-Q354 WeakPolarHBondContact O-CG 3.33Å; E350-Q354 PolarHBondContact O-N 2.94Å; E350-Q354 PolarHBondContact O-NE2 2.88Å
351E90.9Very high89.6Confident127 Ų127103.2 Ų103.259%0.59350%0.5SS*.Hα-helixtrans-62.5-44.6172.7-175173.1-145.900111.5D347 M349 Q354 E355D347-E351 PolarHBondContact O-N 3.21Å; M349-E351 VanDerWaalsContact C-N 3.34Å; E351-Q354 WeakPolarHBondContact O-CB 3.5Å; E351-Q354 PolarHBondContact O-N 2.71Å; E351-E355 PolarHBondContact O-N 3.23Å
352K90.3Very high89.4Confident76 Ų76100.9 Ų100.933%0.3350%0.499SS..Hα-helixtrans-68.7-33176.2-69.9165.6-165.8154.60112.9E348 M349 Q354 E355 L356E348-K352 VanDerWaalsContact O-CD 3.28Å; E348-K352 WeakPolarHBondContact O-CD 3.41Å; E348-K352 WeakPolarHBondContact O-CE 3.33Å; E348-K352 WeakPolarHBondContact O-CG 3.46Å; E348-K352 IonicContact OE1-NZ 3.4Å; E348-K352 PolarHBondContact OE1-NZ 3.37Å; M349-K352 PolarHBondContact O-N 2.9Å; M349-K352 HydrophobicContact SD-CD 4.3Å; K352-Q354 VanDerWaalsContact C-N 3.35Å; K352-E355 PolarHBondContact O-N 2.77Å; K352-L356 WeakPolarHBondContact O-CB 3.05Å; K352-L356 VanDerWaalsContact O-CG 3.24Å; K352-L356 WeakPolarHBondContact O-CG 3.27Å; K352-L356 PolarHBondContact O-N 2.99Å
353E87.1Confident89.3Confident137 Ų137101.1 Ų101.164%0.6450%0.5SS*.Hα-helixtrans-64.4-42.1172.1-172.6169.3179.300110.4M349 E350 L356 Q357M349-E353 WeakPolarHBondContact O-CB 3.44Å; M349-E353 PolarHBondContact O-N 3.11Å; E350-E353 PolarHBondContact O-N 3.24Å; E353-L356 PolarHBondContact O-N 2.87Å; E353-Q357 VanDerWaalsContact O-CB 3.26Å; E353-Q357 WeakPolarHBondContact O-CB 3.49Å; E353-Q357 PolarHBondContact O-N 2.67Å
354Q88.8Confident89Confident132 Ų132102 Ų10262%0.61750%0.504SS*.Hα-helixtrans-65-42.8173.6-71.5169.156.500112.8E350 E351 K352 L356 Q357 A358E350-Q354 VanDerWaalsContact O-CG 3.32Å; E350-Q354 WeakPolarHBondContact O-CG 3.33Å; E350-Q354 PolarHBondContact O-N 2.94Å; E350-Q354 PolarHBondContact O-NE2 2.88Å; E351-Q354 WeakPolarHBondContact O-CB 3.5Å; E351-Q354 PolarHBondContact O-N 2.71Å; K352-Q354 VanDerWaalsContact C-N 3.35Å; Q354-L356 VanDerWaalsContact C-N 3.34Å; Q354-L356 PolarHBondContact O-N 3.49Å; Q354-Q357 PolarHBondContact O-N 2.8Å; Q354-A358 WeakPolarHBondContact O-CB 3.44Å; Q354-A358 PolarHBondContact O-N 2.62Å
355E89.4Confident88.7Confident136 Ų13699 Ų9964%0.63650%0.501SS*.Hα-helixtrans-58.5-45172.9-75.3-162.4139.800111.9E351 K352 K359E351-E355 PolarHBondContact O-N 3.23Å; K352-E355 PolarHBondContact O-N 2.77Å; E355-K359 VanDerWaalsContact O-CB 3.24Å; E355-K359 WeakPolarHBondContact O-CB 3.47Å; E355-K359 PolarHBondContact O-N 2.94Å
356L89.4Confident88.4Confident108 Ų10899.2 Ų99.257%0.56551%0.507SS*.Hα-helixtrans-68.4-39.5179-72.8171000111.8K352 E353 Q354 K359 I360K352-L356 WeakPolarHBondContact O-CB 3.05Å; K352-L356 VanDerWaalsContact O-CG 3.24Å; K352-L356 WeakPolarHBondContact O-CG 3.27Å; K352-L356 PolarHBondContact O-N 2.99Å; E353-L356 PolarHBondContact O-N 2.87Å; Q354-L356 VanDerWaalsContact C-N 3.34Å; Q354-L356 PolarHBondContact O-N 3.49Å; L356-K359 WeakPolarHBondContact O-CB 3.18Å; L356-K359 PolarHBondContact O-N 3.3Å; L356-I360 VanDerWaalsContact O-CG1 3.32Å; L356-I360 WeakPolarHBondContact O-CG1 3.11Å; L356-I360 PolarHBondContact O-N 3.47Å
357Q89.4Confident88Confident88 Ų8899.5 Ų99.541%0.41151%0.509SS..Hα-helixtrans-64.5-49.2176.6179.157.726.500111.5E353 Q354 K359 I360 E361E353-Q357 VanDerWaalsContact O-CB 3.26Å; E353-Q357 WeakPolarHBondContact O-CB 3.49Å; E353-Q357 PolarHBondContact O-N 2.67Å; Q354-Q357 PolarHBondContact O-N 2.8Å; Q357-K359 PolarHBondContact O-N 2.77Å; Q357-I360 WeakPolarHBondContact O-CB 3.33Å; Q357-I360 PolarHBondContact O-N 3.39Å; Q357-E361 PolarHBondContact NE2-OE1 3.45Å; Q357-E361 WeakPolarHBondContact O-CG 3.49Å; Q357-E361 PolarHBondContact O-N 3.23Å
358A89.1Confident87.7Confident57 Ų57100.6 Ų100.647%0.47152%0.515SS..Hα-helixtrans-59.7-31.9174.900000112.2Q354 A362Q354-A358 WeakPolarHBondContact O-CB 3.44Å; Q354-A358 PolarHBondContact O-N 2.62Å; A358-A362 WeakPolarHBondContact O-CB 3.47Å; A358-A362 PolarHBondContact O-N 3.31Å
359K90.4Very high87.3Confident142 Ų142102.2 Ų102.262%0.61752%0.521SS*.Hα-helixtrans-75.7-31.5175.5-164.4170.3-168.4166.60113.2E355 L356 Q357 L363E355-K359 VanDerWaalsContact O-CB 3.24Å; E355-K359 WeakPolarHBondContact O-CB 3.47Å; E355-K359 PolarHBondContact O-N 2.94Å; L356-K359 WeakPolarHBondContact O-CB 3.18Å; L356-K359 PolarHBondContact O-N 3.3Å; Q357-K359 PolarHBondContact O-N 2.77Å; K359-L363 WeakPolarHBondContact O-CB 3.28Å; K359-L363 WeakPolarHBondContact O-CD1 3.49Å; K359-L363 VanDerWaalsContact O-CG 3.25Å; K359-L363 WeakPolarHBondContact O-CG 3.47Å; K359-L363 PolarHBondContact O-N 2.94Å; K359-L363 VanDerWaalsContact O-N 3.09Å
360I87.1Confident87Confident81 Ų8199.9 Ų99.942%0.41551%0.513SS..Hα-helixtrans-66.9-46.1169.3-71.8162.9000109.7L356 Q357 A362 L363 Q364L356-I360 VanDerWaalsContact O-CG1 3.32Å; L356-I360 WeakPolarHBondContact O-CG1 3.11Å; L356-I360 PolarHBondContact O-N 3.47Å; Q357-I360 WeakPolarHBondContact O-CB 3.33Å; Q357-I360 PolarHBondContact O-N 3.39Å; I360-A362 PolarHBondContact O-N 3.27Å; I360-L363 CarbonylContact O-C 3.44Å; I360-L363 PolarHBondContact O-N 3.4Å; I360-Q364 HydrophobicContact CG2-CG 4.42Å; I360-Q364 WeakPolarHBondContact O-CB 3.3Å; I360-Q364 WeakPolarHBondContact O-CG 3.42Å; I360-Q364 PolarHBondContact O-N 2.86Å
361E87.9Confident86.6Confident103 Ų10398.6 Ų98.648%0.48151%0.51SS..Hα-helixtrans-62.4-42177.7-71.5170.6-165.400112Q357 L363 Q364 A365Q357-E361 PolarHBondContact NE2-OE1 3.45Å; Q357-E361 WeakPolarHBondContact O-CG 3.49Å; Q357-E361 PolarHBondContact O-N 3.23Å; E361-L363 PolarHBondContact O-N 2.86Å; E361-Q364 PolarHBondContact O-N 2.95Å; E361-A365 PolarHBondContact O-N 2.82Å
362A87.2Confident86.1Confident56 Ų5699.1 Ų99.146%0.46351%0.512SS..Hα-helixtrans-61.9-42.2172.800000112.6A358 I360 Q364 A365 D366A358-A362 WeakPolarHBondContact O-CB 3.47Å; A358-A362 PolarHBondContact O-N 3.31Å; I360-A362 PolarHBondContact O-N 3.27Å; A362-Q364 VanDerWaalsContact C-N 3.34Å; A362-A365 PolarHBondContact O-N 3.17Å; A362-D366 PolarHBondContact O-N 3.03Å
363L87.3Confident85.6Confident113 Ų113102.6 Ų102.659%0.59252%0.523SS*.Hα-helixtrans-69.7-29.4176.1-74.6170000113K359 I360 E361 N367K359-L363 WeakPolarHBondContact O-CB 3.28Å; K359-L363 WeakPolarHBondContact O-CD1 3.49Å; K359-L363 VanDerWaalsContact O-CG 3.25Å; K359-L363 WeakPolarHBondContact O-CG 3.47Å; K359-L363 PolarHBondContact O-N 2.94Å; K359-L363 VanDerWaalsContact O-N 3.09Å; I360-L363 CarbonylContact O-C 3.44Å; I360-L363 PolarHBondContact O-N 3.4Å; E361-L363 PolarHBondContact O-N 2.86Å; L363-N367 WeakPolarHBondContact O-CB 3.34Å; L363-N367 PolarHBondContact O-N 3.36Å
364Q84.8Confident85Confident108 Ų108100.9 Ų100.951%0.50552%0.518SS..Hα-helixtrans-68.9-46.9171.3-75.8172.1-11.300110.6I360 E361 A362 D366 N367 D368I360-Q364 HydrophobicContact CG2-CG 4.42Å; I360-Q364 WeakPolarHBondContact O-CB 3.3Å; I360-Q364 WeakPolarHBondContact O-CG 3.42Å; I360-Q364 PolarHBondContact O-N 2.86Å; E361-Q364 PolarHBondContact O-N 2.95Å; A362-Q364 VanDerWaalsContact C-N 3.34Å; Q364-D366 VanDerWaalsContact C-N 3.35Å; Q364-D366 PolarHBondContact O-N 3.47Å; Q364-N367 CarbonylContact O-C 3.59Å; Q364-N367 WeakPolarHBondContact O-CA 3.5Å; Q364-N367 WeakPolarHBondContact O-CB 3.48Å; Q364-N367 PolarHBondContact O-N 2.71Å; Q364-D368 PolarHBondContact O-N 3.34Å
365A84.6Confident84.3Confident61 Ų6198.3 Ų98.350%0.50451%0.511SS..Hα-helixtrans-60.7-40.4175.500000112.8E361 A362 F369E361-A365 PolarHBondContact O-N 2.82Å; A362-A365 PolarHBondContact O-N 3.17Å; A365-F369 WeakPolarHBondContact O-CB 3.31Å; A365-F369 PolarHBondContact O-N 2.82Å
366D85.1Confident83.6Confident105 Ų10594.7 Ų94.756%0.56151%0.505SS*.Hα-helixtrans-62.9-41.2170.9-95.4-16.7000111.6A362 Q364 F369 T370A362-D366 PolarHBondContact O-N 3.03Å; Q364-D366 VanDerWaalsContact C-N 3.35Å; Q364-D366 PolarHBondContact O-N 3.47Å; D366-F369 PolarHBondContact O-N 3.5Å; D366-T370 WeakPolarHBondContact O-CG2 3.45Å; D366-T370 PolarHBondContact O-N 2.73Å; D366-T370 PolarHBondContact O-OG1 3.22Å
367N81.9Confident82.8Confident90 Ų9094.7 Ų94.748%0.48151%0.505SS..Hα-helixtrans-63.7-48.3177.4-156.5-93.3000111.1L363 Q364 F369 T370 N371L363-N367 WeakPolarHBondContact O-CB 3.34Å; L363-N367 PolarHBondContact O-N 3.36Å; Q364-N367 CarbonylContact O-C 3.59Å; Q364-N367 WeakPolarHBondContact O-CA 3.5Å; Q364-N367 WeakPolarHBondContact O-CB 3.48Å; Q364-N367 PolarHBondContact O-N 2.71Å; N367-F369 PolarHBondContact O-N 3.28Å; N367-T370 CarbonylContact O-C 3.54Å; N367-T370 WeakPolarHBondContact O-CA 3.29Å; N367-T370 PolarHBondContact O-N 3.07Å; N367-T370 PolarHBondContact O-OG1 3.22Å; N367-N371 VanDerWaalsContact O-CG 3.27Å; N367-N371 PolarHBondContact O-N 3Å; N367-N371 PolarHBondContact O-ND2 2.96Å; N367-N371 VanDerWaalsContact O-ND2 3.15Å; N367-N371 PolarHBondContact OD1-ND2 3.11Å
368D84.3Confident82Confident99 Ų9995.7 Ų95.753%0.52951%0.509SS..Hα-helixtrans-61.8-41.7177.6-71.7-24.3000111.4Q364 T370 N371 E372Q364-D368 PolarHBondContact O-N 3.34Å; D368-T370 VanDerWaalsContact C-N 3.31Å; D368-T370 PolarHBondContact O-N 3.37Å; D368-N371 CarbonylContact O-C 3.58Å; D368-N371 PolarHBondContact O-N 2.96Å; D368-N371 VanDerWaalsContact O-N 3.08Å; D368-E372 PolarHBondContact O-N 3.16Å
369F82.9Confident81.3Confident114 Ų11496.8 Ų96.850%0.551%0.51SS..Hα-helixtrans-62.3-35.9171.9-177.5-113.9000112.6A365 D366 N367 R373A365-F369 WeakPolarHBondContact O-CB 3.31Å; A365-F369 PolarHBondContact O-N 2.82Å; D366-F369 PolarHBondContact O-N 3.5Å; N367-F369 PolarHBondContact O-N 3.28Å; F369-R373 HydrophobicContact CE2-CG 4.45Å; F369-R373 HydrophobicContact CZ-CG 4.36Å; F369-R373 WeakPolarHBondContact O-CB 3.38Å; F369-R373 VanDerWaalsContact O-CG 3.26Å; F369-R373 WeakPolarHBondContact O-CG 3.39Å; F369-R373 PolarHBondContact O-N 3.39Å; F369-R373 VanDerWaalsContact O-N 3.1Å
370T80Confident80.4Confident68 Ų6898.7 Ų98.742%0.41751%0.513SS..Hα-helixtrans-69.6-35.9170.761.30000112.7D366 N367 D368 R373 L374D366-T370 WeakPolarHBondContact O-CG2 3.45Å; D366-T370 PolarHBondContact O-N 2.73Å; D366-T370 PolarHBondContact O-OG1 3.22Å; N367-T370 CarbonylContact O-C 3.54Å; N367-T370 WeakPolarHBondContact O-CA 3.29Å; N367-T370 PolarHBondContact O-N 3.07Å; N367-T370 PolarHBondContact O-OG1 3.22Å; D368-T370 VanDerWaalsContact C-N 3.31Å; D368-T370 PolarHBondContact O-N 3.37Å; T370-R373 PolarHBondContact O-N 3.13Å; T370-L374 VanDerWaalsContact O-CB 3.23Å; T370-L374 WeakPolarHBondContact O-CB 3.45Å; T370-L374 PolarHBondContact O-N 2.97Å
371N80.3Confident79.3Confident69 Ų6999.9 Ų99.937%0.36952%0.52SS..Hα-helixtrans-69.4-40.4177.1-68-37.3000111.8N367 D368 L374 T375N367-N371 VanDerWaalsContact O-CG 3.27Å; N367-N371 PolarHBondContact O-N 3Å; N367-N371 PolarHBondContact O-ND2 2.96Å; N367-N371 VanDerWaalsContact O-ND2 3.15Å; N367-N371 PolarHBondContact OD1-ND2 3.11Å; D368-N371 CarbonylContact O-C 3.58Å; D368-N371 PolarHBondContact O-N 2.96Å; D368-N371 VanDerWaalsContact O-N 3.08Å; N371-L374 PolarHBondContact O-N 2.94Å; N371-T375 VanDerWaalsContact O-CB 3.27Å; N371-T375 WeakPolarHBondContact O-CB 3.36Å; N371-T375 PolarHBondContact O-N 2.86Å; N371-T375 PolarHBondContact O-OG1 2.89Å
372E81.8Confident78.3Confident139 Ų139100.2 Ų100.265%0.6552%0.522SS*.Hα-helixtrans-61.5-46.3171.2-75.2-164.8151.600111D368 L374 T375 A376D368-E372 PolarHBondContact O-N 3.16Å; E372-L374 VanDerWaalsContact C-N 3.33Å; E372-L374 PolarHBondContact O-N 2.85Å; E372-T375 PolarHBondContact O-N 2.82Å; E372-A376 VanDerWaalsContact O-CB 3.28Å; E372-A376 WeakPolarHBondContact O-CB 3.49Å; E372-A376 PolarHBondContact O-N 3.47Å
373R78.8Confident77Confident148 Ų148103.7 Ų103.756%0.55853%0.528SS*.Hα-helixtrans-63.1-37.9176-75.8176.461.4-163.8-2.4112.6F369 T370 L377F369-R373 HydrophobicContact CE2-CG 4.45Å; F369-R373 HydrophobicContact CZ-CG 4.36Å; F369-R373 WeakPolarHBondContact O-CB 3.38Å; F369-R373 VanDerWaalsContact O-CG 3.26Å; F369-R373 WeakPolarHBondContact O-CG 3.39Å; F369-R373 PolarHBondContact O-N 3.39Å; F369-R373 VanDerWaalsContact O-N 3.1Å; T370-R373 PolarHBondContact O-N 3.13Å; R373-L377 WeakPolarHBondContact O-CG 3.38Å; R373-L377 PolarHBondContact O-N 2.83Å
374L74.5Confident75.7Confident101 Ų101103.7 Ų103.753%0.52953%0.528SS..Hα-helixtrans-70.2-44177.6-162.1155.5000110.2T370 N371 E372 A376 L377 Q378T370-L374 VanDerWaalsContact O-CB 3.23Å; T370-L374 WeakPolarHBondContact O-CB 3.45Å; T370-L374 PolarHBondContact O-N 2.97Å; N371-L374 PolarHBondContact O-N 2.94Å; E372-L374 VanDerWaalsContact C-N 3.33Å; E372-L374 PolarHBondContact O-N 2.85Å; L374-A376 PolarHBondContact O-N 2.92Å; L374-L377 CarbonylContact O-C 3.56Å; L374-L377 WeakPolarHBondContact O-CB 3.34Å; L374-L377 PolarHBondContact O-N 2.8Å; L374-L377 VanDerWaalsContact O-N 3.16Å; L374-Q378 WeakPolarHBondContact O-CB 3.43Å; L374-Q378 PolarHBondContact O-N 2.92Å
375T74.6Confident74.3Confident78 Ų78104.2 Ų104.248%0.47953%0.53SS..Hα-helixtrans-59.7-44.3172.9-56.20000111.6N371 E372 L377 Q378 V379N371-T375 VanDerWaalsContact O-CB 3.27Å; N371-T375 WeakPolarHBondContact O-CB 3.36Å; N371-T375 PolarHBondContact O-N 2.86Å; N371-T375 PolarHBondContact O-OG1 2.89Å; E372-T375 PolarHBondContact O-N 2.82Å; T375-L377 VanDerWaalsContact C-N 3.32Å; T375-L377 PolarHBondContact O-N 3.47Å; T375-Q378 CarbonylContact O-C 3.56Å; T375-Q378 WeakPolarHBondContact O-CA 3.44Å; T375-Q378 WeakPolarHBondContact O-CB 3.33Å; T375-Q378 PolarHBondContact O-N 3.4Å; T375-V379 WeakPolarHBondContact O-CG2 3.45Å; T375-V379 PolarHBondContact O-N 2.88Å
376A74.7Confident73Confident60 Ų60105.6 Ų105.650%0.49653%0.526SS..Hα-helixtrans-65-33.8176.200000112.6E372 L374 R380E372-A376 VanDerWaalsContact O-CB 3.28Å; E372-A376 WeakPolarHBondContact O-CB 3.49Å; E372-A376 PolarHBondContact O-N 3.47Å; L374-A376 PolarHBondContact O-N 2.92Å; A376-R380 VanDerWaalsContact O-CB 3.25Å; A376-R380 WeakPolarHBondContact O-CB 3.49Å; A376-R380 PolarHBondContact O-N 3.32Å; A376-R380 VanDerWaalsContact O-N 3.1Å
377L72.8Confident71.5Confident109 Ų109107.1 Ų107.157%0.57153%0.528SS*.Hα-helixtrans-69.6-36.4169.4-75168.7000111.9R373 L374 T375 R380 L381R373-L377 WeakPolarHBondContact O-CG 3.38Å; R373-L377 PolarHBondContact O-N 2.83Å; L374-L377 CarbonylContact O-C 3.56Å; L374-L377 WeakPolarHBondContact O-CB 3.34Å; L374-L377 PolarHBondContact O-N 2.8Å; L374-L377 VanDerWaalsContact O-N 3.16Å; T375-L377 VanDerWaalsContact C-N 3.32Å; T375-L377 PolarHBondContact O-N 3.47Å; L377-R380 CarbonylContact O-C 3.56Å; L377-R380 PolarHBondContact O-N 3.34Å; L377-L381 WeakPolarHBondContact O-CB 3.39Å; L377-L381 PolarHBondContact O-N 3.5Å
378Q72.4Confident70.1Confident108 Ų108105.7 Ų105.751%0.50553%0.528SS..Hα-helixtrans-65.7-50.2178-140.7164.2-29.500111L374 T375 R380 L381 E382L374-Q378 WeakPolarHBondContact O-CB 3.43Å; L374-Q378 PolarHBondContact O-N 2.92Å; T375-Q378 CarbonylContact O-C 3.56Å; T375-Q378 WeakPolarHBondContact O-CA 3.44Å; T375-Q378 WeakPolarHBondContact O-CB 3.33Å; T375-Q378 PolarHBondContact O-N 3.4Å; Q378-R380 VanDerWaalsContact C-N 3.26Å; Q378-R380 PolarHBondContact O-N 2.87Å; Q378-L381 CarbonylContact O-C 3.55Å; Q378-L381 WeakPolarHBondContact O-CA 3.2Å; Q378-L381 WeakPolarHBondContact O-CB 3.38Å; Q378-L381 PolarHBondContact O-N 3.19Å; Q378-E382 PolarHBondContact O-N 2.85Å
379V74.9Confident68.3Low80 Ų80107.8 Ų107.849%0.48554%0.539SS..Hα-helixtrans-57.8-39.1171.8172.10000111.1T375 L381 E382 H383T375-V379 WeakPolarHBondContact O-CG2 3.45Å; T375-V379 PolarHBondContact O-N 2.88Å; V379-L381 VanDerWaalsContact C-N 3.29Å; V379-L381 PolarHBondContact O-N 2.66Å; V379-E382 PolarHBondContact O-N 2.89Å; V379-H383 WeakPolarHBondContact O-CB 3.25Å; V379-H383 PolarHBondContact O-N 2.95Å
380R71.1Confident66.5Low182 Ų182109.4 Ų109.469%0.68755%0.546SS*.Hα-helixtrans-68.4-27175.7-165.2176.3-167.5170.74.7113A376 L377 Q378 L384A376-R380 VanDerWaalsContact O-CB 3.25Å; A376-R380 WeakPolarHBondContact O-CB 3.49Å; A376-R380 PolarHBondContact O-N 3.32Å; A376-R380 VanDerWaalsContact O-N 3.1Å; L377-R380 CarbonylContact O-C 3.56Å; L377-R380 PolarHBondContact O-N 3.34Å; Q378-R380 VanDerWaalsContact C-N 3.26Å; Q378-R380 PolarHBondContact O-N 2.87Å; R380-L384 WeakPolarHBondContact O-CG 3.17Å; R380-L384 PolarHBondContact O-N 3.42Å
381L63.8Low64.6Low106 Ų106113.8 Ų113.856%0.55556%0.561SS**Hα-helixtrans-80.7-40.6175.6-160.7124.1000111.3L377 Q378 V379 H383 L384 Q385L377-L381 WeakPolarHBondContact O-CB 3.39Å; L377-L381 PolarHBondContact O-N 3.5Å; Q378-L381 CarbonylContact O-C 3.55Å; Q378-L381 WeakPolarHBondContact O-CA 3.2Å; Q378-L381 WeakPolarHBondContact O-CB 3.38Å; Q378-L381 PolarHBondContact O-N 3.19Å; V379-L381 VanDerWaalsContact C-N 3.29Å; V379-L381 PolarHBondContact O-N 2.66Å; L381-H383 VanDerWaalsContact C-N 3.32Å; L381-H383 PolarHBondContact O-N 3.31Å; L381-L384 WeakPolarHBondContact O-CB 3.26Å; L381-L384 PolarHBondContact O-N 3.3Å; L381-L384 VanDerWaalsContact O-N 3.11Å; L381-Q385 PolarHBondContact O-N 2.89Å
382E66.4Low62.4Low111 Ų111115.9 Ų115.952%0.51958%0.581SS.*Hα-helixtrans-58.5-43.8168.3-71.118015600110.8Q378 V379 L384 Q385 E386Q378-E382 PolarHBondContact O-N 2.85Å; V379-E382 PolarHBondContact O-N 2.89Å; E382-L384 PolarHBondContact O-N 2.83Å; E382-Q385 CarbonylContact O-C 3.55Å; E382-Q385 PolarHBondContact O-N 2.96Å; E382-E386 WeakPolarHBondContact O-CB 3.4Å; E382-E386 PolarHBondContact O-N 2.89Å
383H60.7Low59.9Low128 Ų128114.9 Ų114.959%0.59359%0.589SS**Hα-helixtrans-64.9-24.4176.3-141.461.7000113.1V379 L381 E386 K387V379-H383 WeakPolarHBondContact O-CB 3.25Å; V379-H383 PolarHBondContact O-N 2.95Å; L381-H383 VanDerWaalsContact C-N 3.32Å; L381-H383 PolarHBondContact O-N 3.31Å; H383-E386 IonicContact ND1-OE2 4Å; H383-K387 VanDerWaalsContact O-CB 3.28Å; H383-K387 WeakPolarHBondContact O-CB 3.37Å; H383-K387 PolarHBondContact O-N 3.39Å
384L59.6Low57.8Low114 Ų114112.5 Ų112.560%0.59760%0.595SS**Hα-helixtrans-79.2-37170.2-73.8167.6000112R380 L381 E382 K387 A388R380-L384 WeakPolarHBondContact O-CG 3.17Å; R380-L384 PolarHBondContact O-N 3.42Å; L381-L384 WeakPolarHBondContact O-CB 3.26Å; L381-L384 PolarHBondContact O-N 3.3Å; L381-L384 VanDerWaalsContact O-N 3.11Å; E382-L384 PolarHBondContact O-N 2.83Å; L384-K387 PolarHBondContact O-N 2.88Å; L384-A388 PolarHBondContact O-N 3.03Å
385Q55.7Low55.9Low118 Ų118116 Ų11655%0.55161%0.613SS**Hα-helixtrans-66.2-41.7172.1-71.1-177.4-54.500111.9L381 E382 K387 A388 L389L381-Q385 PolarHBondContact O-N 2.89Å; E382-Q385 CarbonylContact O-C 3.55Å; E382-Q385 PolarHBondContact O-N 2.96Å; Q385-K387 VanDerWaalsContact C-N 3.29Å; Q385-K387 PolarHBondContact O-N 2.81Å; Q385-A388 PolarHBondContact O-N 2.92Å; Q385-L389 WeakPolarHBondContact O-CB 3.36Å; Q385-L389 PolarHBondContact O-N 2.86Å
386E56.5Low53.7Low91 Ų91116 Ų11643%0.42563%0.628SS.*Hα-helixtrans-67-32.3177.4-146.5-153.1144.600111.8E382 H383 L389 K390E382-E386 WeakPolarHBondContact O-CB 3.4Å; E382-E386 PolarHBondContact O-N 2.89Å; H383-E386 IonicContact ND1-OE2 4Å; E386-L389 PolarHBondContact O-N 2.87Å; E386-K390 PolarHBondContact O-N 2.99Å; E386-K390 IonicContact OE1-NZ 2.64Å; E386-K390 PolarHBondContact OE1-NZ 2.85Å
387K53.6Low51.7Low137 Ų137120.8 Ų120.860%0.59664%0.644SS**Hα-helixtrans-69.9-41.1172.4-165.5169.2-174.21770111.8H383 L384 Q385 L389 K390H383-K387 VanDerWaalsContact O-CB 3.28Å; H383-K387 WeakPolarHBondContact O-CB 3.37Å; H383-K387 PolarHBondContact O-N 3.39Å; L384-K387 PolarHBondContact O-N 2.88Å; Q385-K387 VanDerWaalsContact C-N 3.29Å; Q385-K387 PolarHBondContact O-N 2.81Å; K387-L389 VanDerWaalsContact C-N 3.31Å; K387-L389 PolarHBondContact O-N 3.46Å; K387-K390 PolarHBondContact O-N 2.86Å
388A51.7Low49.9Very low59 Ų59124.7 Ų124.749%0.48866%0.659SS.*Hα-helixtrans-63.9-34.8170.700000112.5L384 Q385 K390 E391L384-A388 PolarHBondContact O-N 3.03Å; Q385-A388 PolarHBondContact O-N 2.92Å; A388-K390 PolarHBondContact O-N 3.18Å; A388-E391 PolarHBondContact O-N 2.71Å
389L47.7Very low47.9Very low144 Ų144125.9 Ų125.975%0.75467%0.673SS**THydrogen-bonded Turntrans-67.1-15.8175.9-12174.2000114Q385 E386 K387Q385-L389 WeakPolarHBondContact O-CB 3.36Å; Q385-L389 PolarHBondContact O-N 2.86Å; E386-L389 PolarHBondContact O-N 2.87Å; K387-L389 VanDerWaalsContact C-N 3.31Å; K387-L389 PolarHBondContact O-N 3.46Å
390K45.4Very low45.8Very low147 Ų147129 Ų12964%0.63969%0.687SS**THydrogen-bonded Turntrans-102.3-2.2-179.1-78.8165.5175.6163.10114.4E386 K387 A388E386-K390 PolarHBondContact O-N 2.99Å; E386-K390 IonicContact OE1-NZ 2.64Å; E386-K390 PolarHBondContact OE1-NZ 2.85Å; K387-K390 PolarHBondContact O-N 2.86Å; A388-K390 PolarHBondContact O-N 3.18Å
391E39Very low44Very low160 Ų160127.1 Ų127.175%0.74869%0.691SS**THydrogen-bonded Turntrans-110.2-3.1175.1-69.7-174.3147.600114.2A388A388-E391 PolarHBondContact O-N 2.71Å
392C34.2Very low42.4Very low114 Ų114131.7 Ų131.777%0.7771%0.707SS**  trans-11154.5178.2-81.20000114S394C392-S394 PolarHBondContact O-N 3.48Å
393S29.1Very low41.2Very low118 Ų118133.7 Ų133.783%0.82572%0.72SS**  trans-97.351.4173.656.60000113.3
394S34.5Very low40.4Very low98 Ų98133.3 Ų133.369%0.68573%0.729SS**SBendtrans-149.2150.5169.9740000112.4C392C392-S394 PolarHBondContact O-N 3.48Å
395L35.2Very low39.4Very low175 Ų175136.9 Ų136.992%0.91674%0.74SS**  trans60.293.9177.4-66.7158.6000115.6
396G29.5Very low38.3Very low76 Ų76139.2 Ų139.278%0.78475%0.754SS**  trans-98.1154162.600000112.2
397I32.4Very low37.1Very low162 Ų162142.5 Ų142.583%0.83178%0.775SS**  trans-144.7140.7167-90.9154.6000107.5V399I397-V399 HydrophobicContact CG2-CG2 4.04Å
398Q33.8Very low35.9Very low191 Ų191139.1 Ų139.189%0.89378%0.779SS**  trans-99.5135165.4-61.5172.6-81.400109.2
399V31.8Very low34.8Very low132 Ų132141.4 Ų141.480%0.879%0.791SS**  trans-147.9141153.9-169.40000108.3I397I397-V399 HydrophobicContact CG2-CG2 4.04Å
400D31.1Very low34Very low146 Ų146140 Ų14078%0.78179%0.789SS**  trans-83.8176.8177.2-67-72.9000113.9
401D33.3Very low33.4Very low142 Ų142140.5 Ų140.576%0.75979%0.794SS**  trans61.4126.3163.2-83.7-33.5000119.8
402F29.6Very low33.3Very low202 Ų202139.2 Ų139.289%0.88679%0.786SS**  -177121.597.9-99.7-71.2000111.4
403L41.1Very low33.5Very low153 Ų153140 Ų14080%0.80178%0.778SS**  trans-80.5146.6162.3-100.6168.9000109.6
404P44Very low33.7Very low121 Ų121140.8 Ų140.879%0.78677%0.768SS**  -150.3171.393.839.5-22.5000116.7
405K38.8Very low33.6Very low189 Ų189142.2 Ų142.282%0.82277%0.768SS**  trans-76.4160.5162.6-58.3169.9177.1175.40110.8
406I31.8Very low33.8Very low167 Ų167140.4 Ų140.486%0.85676%0.758SS**  trans-169.4163131-102.4156.3000112.3
407N31.5Very low34.1Very low159 Ų159140.7 Ų140.785%0.8575%0.748SS**  trans-85.4171.3-168.1-48.9-34.5000115.2
408G27.7Very low34.4Very low67 Ų67141.7 Ų141.769%0.69175%0.747SS**  trans120113.6148.700000113.7
409S28.8Very low34.3Very low106 Ų106138.1 Ų138.174%0.74174%0.743SS**  cis100.5149.73176.80000113.9
410T30.6Very low34.3Very low115 Ų115135.7 Ų135.771%0.70674%0.744SS**  trans65.4115.6168.937.20000116.1
411E33.9Very low34.4Very low157 Ų157132.2 Ų132.273%0.73474%0.743SS**  74.9143.180.1-74.3-162.5144.500113.1
412K37.3Very low34.4Very low134 Ų134133 Ų13358%0.58375%0.747SS**  cis-163.5155.18.7-128.8167.3-176.8-108.90111.7
413E38.3Very low34.9Very low129 Ų129129.5 Ų129.560%0.60375%0.746SS**  trans63.4165.5145.8-82.1166.7-135.500119.2
414H33.1Very low35.2Very low135 Ų135128.1 Ų128.163%0.62574%0.744SS**  cis-165.614037.6-137.619000113.1
415L32.5Very low35Very low129 Ų129130.7 Ų130.768%0.67574%0.744SS**  trans64.2155.9148.2-48.9176.8000119.9
416L38.8Very low35.1Very low137 Ų137130 Ų13072%0.71775%0.747SS**  cis-164.2177.6-17.1-109.4174.5000105.8
417S36.8Very low35.5Very low82 Ų82130 Ų13057%0.57374%0.743SS**  cis-155171.37.6-95.90000105.2
418K37.3Very low35.9Very low183 Ų183129.7 Ų129.780%0.79674%0.737SS**  cis-170.5170.1-10.8-100.2166.4-173.3175.40104.1
419S33.2Very low36.4Very low116 Ų116136.3 Ų136.381%0.81175%0.746SS**  cis-152.8163.42.735.90000105.9
420G31.2Very low37.3Very low81 Ų81139.1 Ų139.184%0.83575%0.752SS**  cis123.5102.812.400000109.7
421G32.2Very low37.7Very low73 Ų73141.8 Ų141.875%0.75376%0.756SS**  trans169.490.4-178.800000114.8
422D32.9Very low37.9Very low157 Ų157140.6 Ų140.684%0.8476%0.763SS**  trans50142.8152.8-56.5-10.2000123.4
423C42Very low37.9Very low130 Ų130142.2 Ų142.288%0.87877%0.773SS**  trans-127.3110.8-179.3-70.20000111.3
424T46.3Very low37.6Very low123 Ų123145.2 Ų145.276%0.75578%0.784SS**  trans-151.928.6-1791.40000115.5
425F39.9Very low37.5Very low176 Ų176148.8 Ų148.877%0.77280%0.798SS**  trans-122.220.9-170.1-104.9-74.7000118.2
426I42Very low37.3Very low173 Ų173150.8 Ų150.889%0.88781%0.808SS**SBendtrans-122.248.3167.3-42.8-177.1000110.6
427H38.8Very low36.9Very low167 Ų167151.9 Ų151.977%0.77381%0.813SS**SBendtrans-148.538.9173.4-147.775000112.7
428Q39.4Very low36.8Very low154 Ų154153.7 Ų153.772%0.7282%0.821SS**SBendtrans-147.419.7-175.2-142175.122.500115.7
429F38.9Very low36.2Very low205 Ų205154 Ų15490%0.89983%0.825SS**SBendtrans-124.2-1.3-178.9-153.5-102.5000115.4
430I48.7Very low35.9Very low166 Ų166151.6 Ų151.685%0.85182%0.818SS**SBendtrans-118.1-16.1-179.6-64.9-179.8000112.4C432I430-C432 PolarHBondContact O-N 3.31Å
431E39.1Very low36Very low170 Ų170156.5 Ų156.579%0.79482%0.819SS**  trans-99.254.4-178-159.7169.5-150.900113.2
432C38Very low35.8Very low132 Ų132159.8 Ų159.889%0.89282%0.819SS**  trans-137.334.1170.9-108.10000113.6I430I430-C432 PolarHBondContact O-N 3.31Å
433Q36.5Very low35.6Very low169 Ų169157.6 Ų157.679%0.7981%0.811SS**SBendtrans-123.4139157.9-78.9-160.44.700111
434K31.9Very low34.9Very low191 Ų191160.4 Ų160.483%0.8381%0.809SS**  trans69.983172.2-55.7173.2-177.31720117.1
435K31.2Very low33.9Very low210 Ų210158.8 Ų158.891%0.91381%0.807SS**  -169.795.4120-106.9170.4-177.3177.40113.5
436L27.9Very low33.3Very low171 Ų171156.6 Ų156.690%0.89581%0.808SS**  trans-160.790150.4-111.8169.7000108.4
437I31.7Very low32.7Very low160 Ų160157.6 Ų157.682%0.82181%0.809SS**  trans-144.9154.3175.6-67.3-175.5000106.4
438V32.7Very low32.3Very low120 Ų120157.6 Ų157.673%0.72781%0.81SS**  trans77.1118.6-162.4-170.50000109.1
439E26.5Very low31.7Very low191 Ų191155.4 Ų155.489%0.89381%0.807SS**  cis-144.6149.120.1-142.8160-159.300108.9
440G26.9Very low31.3Very low65 Ų65154.7 Ų154.767%0.6780%0.803SS**  cis-164.3-162.93.300000112.9
441H32.9Very low30.2Very low183 Ų183154.4 Ų154.485%0.84780%0.802SS**  trans-62.9171.3-168.6-51.9-85.8000115.6
442L26.7Very low29.7Very low142 Ų142150.8 Ų150.874%0.74380%0.796SS**  cis-174.3129.842.8-172.368.3000115.4
443T28.9Very low29.3Very low111 Ų111153.9 Ų153.968%0.68179%0.794SS**  trans63.4157.1156.557.60000120.1
444K28.8Very low28.9Very low190 Ų190155.1 Ų155.183%0.82680%0.8SS**  cis-161.1157.5-0.6-125.3163.6-174.9179.10111.1
445A24.5Very low28.8Very low88 Ų88152.7 Ų152.773%0.72780%0.797SS**  trans68.1143.6162.600000116.1
446V27.8Very low28.7Very low131 Ų131150.4 Ų150.479%0.79479%0.789SS**  cis71.211415.9-160.60000111.3
447E29.4Very low28.9Very low194 Ų194148.3 Ų148.391%0.90778%0.783SS**  -144.4-179.563.1-78.8176160.500115.9
448E29.3Very low28.8Very low167 Ų167152.7 Ų152.778%0.7879%0.79SS**  trans-81.4144-161-74.2-176155.600120.4
449T28.1Very low28.6Very low107 Ų107150.7 Ų150.766%0.65679%0.786SS**  trans84.1150.213166.30000125
450K29.1Very low29Very low190 Ų190151 Ų15183%0.82678%0.784SS**  trans76.6141.5166.8-60.1158.2-171.3165.30115.5
451L26.9Very low29.2Very low160 Ų160156.3 Ų156.384%0.83879%0.791SS**  cis-117.2139.3-1.5-84.794.7000109.7
452S27.5Very low29.1Very low95 Ų95153.3 Ų153.366%0.66479%0.791SS**  68.998.178.3-170.80000116.9
453K30.9Very low29.4Very low196 Ų196153.7 Ų153.785%0.85279%0.794SS**  trans43.5125.6140.2-56.3178.6-179.6-178.80120.7
454E27.5Very low29.6Very low195 Ų195157 Ų15791%0.91181%0.806SS**  -148.3173.7107.1-164.4120.6-122.500108.9
455N29.9Very low29.7Very low141 Ų141152.7 Ų152.775%0.75480%0.8SS**  trans-134.9143.2-162.6-114.2-3.2000113
456Q29.7Very low30.1Very low161 Ų161155.2 Ų155.275%0.75280%0.801SS**  trans56.589.6134.8-166.3169.661.700118.1
457T31Very low30.3Very low127 Ų127154.7 Ų154.778%0.77980%0.799SS**  52.7103.477.975.60000117.5
458R29.3Very low30.3Very low253 Ų253153.1 Ų153.196%0.95580%0.796SS**  trans168.5150.3142.7-98.1-171.6171.7-179.6-2.3109.1
459A30.1Very low30.4Very low78 Ų78150.7 Ų150.765%0.64580%0.797SS**  cis-162.2148-9.100000113.1
460K34.5Very low31.5Very low198 Ų198151.2 Ų151.286%0.86180%0.802SS**  trans64.4140.9147.9-71.4-177.8175.1-171.20121.4
461E31.1Very low31.6Very low175 Ų175148 Ų14882%0.81880%0.804SS**  trans-78.8164.8166-45.398.3139.100113
462S30.7Very low31.9Very low120 Ų120149.6 Ų149.684%0.83980%0.804SS**  trans-156.5101.5149.562.80000111
463D31.8Very low32Very low150 Ų150151.7 Ų151.780%0.80280%0.804SS**  trans-72.1140.1168.5-70.5-48.5000111.3
464L33.2Very low32.1Very low180 Ų180150.2 Ų150.294%0.94280%0.797SS**  trans-155.5141138.3-90.5-166.9000109.6
465S31.9Very low32.5Very low100 Ų100146 Ų14670%0.69979%0.79SS**  trans-105.3170-170.2-54.10000114.2
466D32.2Very low33Very low141 Ų141144.1 Ų144.175%0.75479%0.787SS**  trans85.895.6144-67.5-22.4000122.5
467T32.9Very low33.2Very low121 Ų121143.8 Ų143.874%0.74279%0.791SS**  99.4150.8118.765.10000122
468L28.9Very low33.2Very low161 Ų161144.9 Ų144.984%0.84379%0.791SS**  trans80.196.6162.4-51.5-169.3000119.5
469S31.6Very low33.6Very low116 Ų116138 Ų13881%0.81178%0.778SS**  trans-101.5176.2141.8-62.40000109.1
470P50.8Low33.9Very low117 Ų117140.5 Ų140.576%0.7679%0.785SS**  cis-129.5178.6-15.336.8-20.7000113.4
471S30.7Very low33.8Very low124 Ų124138.2 Ų138.287%0.86778%0.782SS**  trans-156150.8149.6-85.20000112.6
472K34.3Very low33.9Very low193 Ų193134.2 Ų134.284%0.83978%0.78SS**  trans-86.1166.5174.6-57.4174.8178.2175.70108.8
473E29.6Very low33.8Very low139 Ų139137.5 Ų137.565%0.6578%0.782SS**  cis-159.6162.145.9-64.4-154.5119.100114.2
474K32.8Very low34Very low164 Ų164138.2 Ų138.271%0.71378%0.782SS**  trans33.4127.2142.3-55.8158.4-165.6154.80117.9
475S34.8Very low34Very low108 Ų108137 Ų13776%0.75578%0.776SS**  -171.2142.768.549.10000114.2
476S40.8Very low34Very low100 Ų100140.5 Ų140.570%0.69978%0.782SS**  trans30.1130.9143.468.90000120.1
477D33.9Very low34Very low155 Ų155141.7 Ų141.783%0.82978%0.783SS**  44.2137.169.5-66.5-29.9000112.7
478D31.3Very low33.9Very low149 Ų149142.2 Ų142.280%0.79778%0.781SS**  cis-148.3-177.934.1-159.5-13.3000111.5
479T37.7Very low34.1Very low110 Ų110143 Ų14368%0.67579%0.785SS**  trans-100.2158.5176.261.30000112.3
480T36.3Very low34Very low130 Ų130144.2 Ų144.280%0.79878%0.783SS**  165.6150.8129.234.90000115.3
481D31.8Very low33.1Very low149 Ų149146 Ų14680%0.79778%0.781SS**  trans33.5114.7147.2-63.4-12000124.5
482A33.2Very low33.6Very low92 Ų92145.1 Ų145.176%0.7677%0.772SS**  19.6118.7118.100000122.4
483Q29.5Very low33.4Very low189 Ų189143.9 Ų143.988%0.88377%0.774SS**  trans-162128.1131.2-103.9161.4-6.500106
484M35.3Very low33.4Very low165 Ų165141.4 Ų141.481%0.81378%0.777SS**  60.710659.5-132-162.589.200114
485D33.1Very low33.2Very low153 Ų153143.3 Ų143.382%0.81879%0.785SS**  trans-167.9159.1131.1-100.7-16.8000111.5
486E33.4Very low32.9Very low174 Ų174144.4 Ų144.481%0.81379%0.787SS**  trans-95.1153.5176.6-59.5-178.2136.100111.4
487Q32.4Very low32.4Very low166 Ų166144.6 Ų144.678%0.77679%0.789SS**  175.9146.2107.7-96-175.3-21.500115.2
488D28.8Very low32.1Very low132 Ų132144.8 Ų144.871%0.70679%0.789SS**  trans43.2116.8146.6-61.51000122.2
489L33.6Very low32.1Very low178 Ų178145.1 Ų145.193%0.93279%0.79SS**  -155.1142.9120.1-110.4159.8000111.7
490N29.8Very low31.6Very low142 Ų142147.9 Ų147.976%0.75979%0.792SS**  trans-78.3145-165.2-82.7-63.2000115.6
491E31.3Very low31.2Very low155 Ų155147.7 Ų147.772%0.72479%0.786SS**  18.1159.2113.6-93.6-124.1113.900120.9L493E491-L493 PolarHBondContact OE1-N 2.64Å
492P41.8Very low31.1Very low104 Ų104147.7 Ų147.768%0.67579%0.787SS**  cis-136.116618.533.4-12.9000118
493L30.2Very low30.9Very low167 Ų167150.6 Ų150.687%0.87479%0.788SS**  trans-92.9126.5156.7-115.485.1000111E491E491-L493 PolarHBondContact OE1-N 2.64Å
494A28.9Very low31.1Very low87 Ų87151.1 Ų151.172%0.71979%0.791SS**  trans-153.5146.6164.400000108.8
495K29.6Very low31.1Very low205 Ų205147.2 Ų147.289%0.89179%0.792SS**  cis-153.3163.620.8-138.2164.6-170.5172.90110.3
496V29.4Very low31.1Very low131 Ų131144.6 Ų144.679%0.79479%0.792SS**  trans-125.4128.8179.7169.20000111.5
497S28.8Very low31.1Very low104 Ų104145.4 Ų145.473%0.72780%0.796SS**  trans72.5149.3155.7-69.10000123.3
498L29Very low31.8Very low158 Ų158141.6 Ų141.683%0.82779%0.788SS**  trans93.5148.9144.6-82160.1000122.4
499L29.5Very low32.6Very low157 Ų157143.1 Ų143.182%0.82279%0.79SS**  trans71.1126.6-178.7-50.4179.9000115.6
500K27.4Very low33.6Very low167 Ų167141.1 Ų141.173%0.72678%0.779SS**  cis111.1120.67.4-173.2175.4169.61740114.3
501D29.3Very low34.9Very low126 Ų126140.9 Ų140.967%0.67477%0.774SS**  trans61.1143.1170.1-56.8-3.4000114.7
502D29.4Very low36.1Very low150 Ų150136 Ų13680%0.80276%0.76SS**  -151.217557.3-138-28.3000115.4
503L28.6Very low36.9Very low152 Ų152137.5 Ų137.580%0.79676%0.756SS**  trans-80.5153.6-170.6-66.192.3000116.2
504Q34.2Very low38.5Very low201 Ų201136.5 Ų136.594%0.93975%0.747SS**  -164.6155.9127.4-113.2174.429.200114.4
505G35.7Very low40.3Very low82 Ų82138.7 Ų138.785%0.84574%0.742SS**  trans94.497.6165.300000116.1
506A31.4Very low42.3Very low99 Ų99133.2 Ų133.282%0.81872%0.722SS**  trans-103.4124.9177.900000112.8
507Q33.4Very low44.2Very low191 Ų191133.7 Ų133.789%0.89372%0.715SS**  trans-161.4148.6156.3-109153.813.800111.8
508S47.3Very low46.4Very low85 Ų85134.3 Ų134.359%0.59471%0.707SS**  trans52.393.3173.2390000119.5I510S508-I510 PolarHBondContact O-N 2.68Å
509E46.2Very low48.6Very low164 Ų164132 Ų13277%0.76670%0.695SS**THydrogen-bonded Turntrans-74.929.9-177.9-152.6-161.8134.900116.3K513E509-K513 IonicContact OE1-NZ 2.6Å
510I55.5Low50.8Low136 Ų136132.4 Ų132.470%0.69769%0.685SS**THydrogen-bonded Turntrans-119.9-45.7-170.1-60.7-178.4000112.8S508 K513S508-I510 PolarHBondContact O-N 2.68Å; I510-K513 PolarHBondContact O-N 2.89Å
511E55.3Low53.3Low138 Ų138130.4 Ų130.465%0.64568%0.676SS**THydrogen-bonded Turntrans-70.2-38.7-172.6-65.2176.2149.200112.6K513 Q514E511-K513 PolarHBondContact O-N 3.3Å; E511-Q514 PolarHBondContact O-N 2.91Å
512A57Low55.6Low53 Ų53128.7 Ų128.744%0.43866%0.664SS.*Hα-helixtrans-56.4-21.1179.300000114.7I516A512-I516 WeakPolarHBondContact O-CB 3.46Å; A512-I516 WeakPolarHBondContact O-CD1 3.14Å; A512-I516 WeakPolarHBondContact O-CG1 3.35Å; A512-I516 PolarHBondContact O-N 3.14Å
513K59.8Low58Low134 Ų134127.1 Ų127.158%0.58366%0.655SS**Hα-helixtrans-74.2-25.5175.8-77.3170.6-178.5143.40113E509 I510 E511E509-K513 IonicContact OE1-NZ 2.6Å; I510-K513 PolarHBondContact O-N 2.89Å; E511-K513 PolarHBondContact O-N 3.3Å
514Q63.9Low60.4Low147 Ų147124.3 Ų124.369%0.68764%0.64SS**Hα-helixtrans-83.8-42.4178.3-67.6-174.7-15.500111.5E511 I516 Q517 H518E511-Q514 PolarHBondContact O-N 2.91Å; Q514-I516 VanDerWaalsContact C-N 3.35Å; Q514-I516 PolarHBondContact O-N 3.48Å; Q514-Q517 WeakPolarHBondContact O-CB 3.24Å; Q514-Q517 PolarHBondContact O-N 2.88Å; Q514-H518 PolarHBondContact O-N 3.37Å
515E65.8Low62.6Low133 Ų133119.3 Ų119.362%0.62162%0.617SS**Hα-helixtrans-60.6-42174.3-66.1-173.8128.900112.3Q517 H518 L519E515-Q517 PolarHBondContact O-N 3.43Å; E515-H518 PolarHBondContact O-N 3.02Å; E515-H518 VanDerWaalsContact O-N 3.12Å; E515-L519 WeakPolarHBondContact O-CB 3.19Å; E515-L519 WeakPolarHBondContact O-CG 3.26Å; E515-L519 PolarHBondContact O-N 3.05Å
516I70.5Confident64.6Low90 Ų90118.2 Ų118.246%0.46260%0.6SS.*Hα-helixtrans-62.1-27.8175.2-70.4170.9000112A512 Q514 R520A512-I516 WeakPolarHBondContact O-CB 3.46Å; A512-I516 WeakPolarHBondContact O-CD1 3.14Å; A512-I516 WeakPolarHBondContact O-CG1 3.35Å; A512-I516 PolarHBondContact O-N 3.14Å; Q514-I516 VanDerWaalsContact C-N 3.35Å; Q514-I516 PolarHBondContact O-N 3.48Å; I516-R520 WeakPolarHBondContact O-CB 3.43Å; I516-R520 VanDerWaalsContact O-CD 3.27Å; I516-R520 WeakPolarHBondContact O-CD 3.36Å; I516-R520 WeakPolarHBondContact O-CG 3.43Å; I516-R520 PolarHBondContact O-N 2.83Å
517Q70.3Confident66.7Low141 Ų141118.2 Ų118.266%0.65958%0.583SS**Hα-helixtrans-78.7-38.4172.5-74.8-173.8-20.200112.4Q514 E515 R520 K521Q514-Q517 WeakPolarHBondContact O-CB 3.24Å; Q514-Q517 PolarHBondContact O-N 2.88Å; E515-Q517 PolarHBondContact O-N 3.43Å; Q517-R520 PolarHBondContact O-N 3.31Å; Q517-K521 PolarHBondContact O-N 2.92Å; Q517-K521 VanDerWaalsContact O-N 3.14Å
518H74.8Confident69Low117 Ų117114.5 Ų114.554%0.54257%0.565SS.*Hα-helixtrans-61.1-54.2175.5-163.8-81.5000111.4Q514 E515 R520 K521 E522Q514-H518 PolarHBondContact O-N 3.37Å; E515-H518 PolarHBondContact O-N 3.02Å; E515-H518 VanDerWaalsContact O-N 3.12Å; H518-R520 PolarHBondContact O-N 2.98Å; H518-K521 WeakPolarHBondContact O-CA 3.45Å; H518-K521 WeakPolarHBondContact O-CB 3.48Å; H518-K521 PolarHBondContact O-N 3.44Å; H518-E522 IonicContact CE1-OE1 3.58Å; H518-E522 PolarHBondContact CE1-OE1 2.96Å; H518-E522 IonicContact CE1-OE2 2.77Å; H518-E522 PolarHBondContact CE1-OE2 3.34Å; H518-E522 IonicContact CG-OE2 3.65Å; H518-E522 IonicContact ND1-OE1 3.9Å; H518-E522 IonicContact ND1-OE2 3.95Å; H518-E522 PolarHBondContact ND1-OE2 3.25Å; H518-E522 PolarHBondContact O-N 2.87Å
519L75.7Confident70.6Confident110 Ų110116.6 Ų116.658%0.57657%0.569SS**Hα-helixtrans-60.6-30.5179.3-68.1168.3000112.6E515 L523E515-L519 WeakPolarHBondContact O-CB 3.19Å; E515-L519 WeakPolarHBondContact O-CG 3.26Å; E515-L519 PolarHBondContact O-N 3.05Å; L519-L523 WeakPolarHBondContact O-CB 3.38Å; L519-L523 PolarHBondContact O-N 2.86Å
520R74.7Confident72.2Confident165 Ų165111.5 Ų111.562%0.62356%0.555SS**Hα-helixtrans-69.9-36.4172.5-80.1173.2-176.9-159.81112.8I516 Q517 H518 I524I516-R520 WeakPolarHBondContact O-CB 3.43Å; I516-R520 VanDerWaalsContact O-CD 3.27Å; I516-R520 WeakPolarHBondContact O-CD 3.36Å; I516-R520 WeakPolarHBondContact O-CG 3.43Å; I516-R520 PolarHBondContact O-N 2.83Å; Q517-R520 PolarHBondContact O-N 3.31Å; H518-R520 PolarHBondContact O-N 2.98Å; R520-I524 WeakPolarHBondContact O-CD1 3.45Å; R520-I524 VanDerWaalsContact O-CG1 3.3Å; R520-I524 WeakPolarHBondContact O-CG1 3.47Å; R520-I524 PolarHBondContact O-N 3.31Å; R520-I524 VanDerWaalsContact O-N 3.13Å
521K80.1Confident73.4Confident124 Ų124111.4 Ų111.454%0.53955%0.546SS..Hα-helixtrans-69.2-47.3176.3-176174.2176.2-68.80110.6Q517 H518 L523 I524 E525Q517-K521 PolarHBondContact O-N 2.92Å; Q517-K521 VanDerWaalsContact O-N 3.14Å; H518-K521 WeakPolarHBondContact O-CA 3.45Å; H518-K521 WeakPolarHBondContact O-CB 3.48Å; H518-K521 PolarHBondContact O-N 3.44Å; K521-L523 VanDerWaalsContact C-N 3.31Å; K521-L523 PolarHBondContact O-N 3.4Å; K521-I524 PolarHBondContact O-N 3.3Å; K521-I524 VanDerWaalsContact O-N 3.13Å; K521-E525 VanDerWaalsContact CE-OE1 3.3Å; K521-E525 WeakPolarHBondContact CE-OE1 3.33Å; K521-E525 WeakPolarHBondContact CG-OE1 3.39Å; K521-E525 IonicContact NZ-OE1 2.6Å; K521-E525 PolarHBondContact NZ-OE1 3.46Å; K521-E525 IonicContact NZ-OE2 3.33Å; K521-E525 PolarHBondContact O-N 3.4Å
522E78.9Confident74.6Confident90 Ų90108.5 Ų108.542%0.42154%0.538SS..Hα-helixtrans-60.2-39.5174.6-68.2173.3121.900112.1H518 I524 E525 A526H518-E522 IonicContact CE1-OE1 3.58Å; H518-E522 PolarHBondContact CE1-OE1 2.96Å; H518-E522 IonicContact CE1-OE2 2.77Å; H518-E522 PolarHBondContact CE1-OE2 3.34Å; H518-E522 IonicContact CG-OE2 3.65Å; H518-E522 IonicContact ND1-OE1 3.9Å; H518-E522 IonicContact ND1-OE2 3.95Å; H518-E522 PolarHBondContact ND1-OE2 3.25Å; H518-E522 PolarHBondContact O-N 2.87Å; E522-I524 VanDerWaalsContact C-N 3.35Å; E522-I524 PolarHBondContact O-N 3.11Å; E522-E525 PolarHBondContact O-N 2.93Å; E522-A526 WeakPolarHBondContact O-CB 3.44Å; E522-A526 PolarHBondContact O-N 3.3Å
523L78.2Confident75.7Confident117 Ų117109.2 Ų109.261%0.61354%0.54SS*.Hα-helixtrans-63.3-38.2174.8-178.564.3000112.5L519 K521 Q527L519-L523 WeakPolarHBondContact O-CB 3.38Å; L519-L523 PolarHBondContact O-N 2.86Å; K521-L523 VanDerWaalsContact C-N 3.31Å; K521-L523 PolarHBondContact O-N 3.4Å; L523-Q527 WeakPolarHBondContact O-CB 3.35Å; L523-Q527 PolarHBondContact O-N 3.08Å
524I80.3Confident76.9Confident94 Ų94109 Ų10948%0.48254%0.539SS..Hα-helixtrans-68.2-48.7175.8-70.4164.3000110.1R520 K521 E522 A526 Q527 E528R520-I524 WeakPolarHBondContact O-CD1 3.45Å; R520-I524 VanDerWaalsContact O-CG1 3.3Å; R520-I524 WeakPolarHBondContact O-CG1 3.47Å; R520-I524 PolarHBondContact O-N 3.31Å; R520-I524 VanDerWaalsContact O-N 3.13Å; K521-I524 PolarHBondContact O-N 3.3Å; K521-I524 VanDerWaalsContact O-N 3.13Å; E522-I524 VanDerWaalsContact C-N 3.35Å; E522-I524 PolarHBondContact O-N 3.11Å; I524-A526 PolarHBondContact O-N 3.18Å; I524-Q527 CarbonylContact O-C 3.56Å; I524-Q527 WeakPolarHBondContact O-CA 3.25Å; I524-Q527 PolarHBondContact O-N 2.91Å; I524-E528 PolarHBondContact O-N 2.99Å
525E79.8Confident78Confident96 Ų96107.6 Ų107.645%0.44953%0.532SS..Hα-helixtrans-61.5-42.6179.7-73.1170.5-172.500111.7K521 E522 Q527 E528 L529K521-E525 VanDerWaalsContact CE-OE1 3.3Å; K521-E525 WeakPolarHBondContact CE-OE1 3.33Å; K521-E525 WeakPolarHBondContact CG-OE1 3.39Å; K521-E525 IonicContact NZ-OE1 2.6Å; K521-E525 PolarHBondContact NZ-OE1 3.46Å; K521-E525 IonicContact NZ-OE2 3.33Å; K521-E525 PolarHBondContact O-N 3.4Å; E522-E525 PolarHBondContact O-N 2.93Å; E525-Q527 VanDerWaalsContact C-N 3.33Å; E525-Q527 PolarHBondContact O-N 3.47Å; E525-E528 PolarHBondContact O-N 2.87Å; E525-L529 WeakPolarHBondContact O-CB 3Å; E525-L529 PolarHBondContact O-N 3.32Å
526A77.1Confident79Confident59 Ų59107.7 Ų107.749%0.48853%0.531SS..Hα-helixtrans-64-35.9172.500000112.5E522 I524 A530E522-A526 WeakPolarHBondContact O-CB 3.44Å; E522-A526 PolarHBondContact O-N 3.3Å; I524-A526 PolarHBondContact O-N 3.18Å; A526-A530 VanDerWaalsContact O-CB 3.3Å; A526-A530 WeakPolarHBondContact O-CB 3.21Å; A526-A530 PolarHBondContact O-N 3.5Å
527Q76.6Confident79.5Confident99 Ų99107 Ų10746%0.46353%0.533SS..Hα-helixtrans-73.5-30.2177.3-160.5-176.372.100112.3L523 I524 E525 R531L523-Q527 WeakPolarHBondContact O-CB 3.35Å; L523-Q527 PolarHBondContact O-N 3.08Å; I524-Q527 CarbonylContact O-C 3.56Å; I524-Q527 WeakPolarHBondContact O-CA 3.25Å; I524-Q527 PolarHBondContact O-N 2.91Å; E525-Q527 VanDerWaalsContact C-N 3.33Å; E525-Q527 PolarHBondContact O-N 3.47Å; Q527-R531 VanDerWaalsContact O-CG 3.27Å; Q527-R531 WeakPolarHBondContact O-CG 3.47Å; Q527-R531 PolarHBondContact O-N 2.85Å; Q527-R531 VanDerWaalsContact OE1-CZ 3.26Å
528E81.7Confident80.3Confident112 Ų112105.8 Ų105.852%0.52353%0.525SS..Hα-helixtrans-74.9-38.2171-71.1-176.3171.600112.3I524 E525 A530 R531 T532I524-E528 PolarHBondContact O-N 2.99Å; E525-E528 PolarHBondContact O-N 2.87Å; E528-A530 VanDerWaalsContact C-N 3.3Å; E528-A530 PolarHBondContact O-N 3.25Å; E528-R531 PolarHBondContact O-N 3.14Å; E528-T532 WeakPolarHBondContact O-CG2 3.23Å; E528-T532 PolarHBondContact O-N 2.93Å; E528-T532 PolarHBondContact O-OG1 3.18Å
529L80.9Confident80.8Confident129 Ų129104.6 Ų104.668%0.67552%0.52SS*.Hα-helixtrans-61.9-39.7170.1-155.893.5000111.1E525 T532 S533E525-L529 WeakPolarHBondContact O-CB 3Å; E525-L529 PolarHBondContact O-N 3.32Å; L529-T532 WeakPolarHBondContact CA-OG1 3.39Å; L529-T532 PolarHBondContact O-OG1 2.88Å; L529-T532 VanDerWaalsContact O-OG1 3.1Å; L529-S533 WeakPolarHBondContact O-CB 3.35Å; L529-S533 PolarHBondContact O-N 2.96Å
530A78.4Confident81.4Confident58 Ų58105 Ų10548%0.47952%0.522SS..Hα-helixtrans-67.1-38.717400000112.7A526 E528 K534A526-A530 VanDerWaalsContact O-CB 3.3Å; A526-A530 WeakPolarHBondContact O-CB 3.21Å; A526-A530 PolarHBondContact O-N 3.5Å; E528-A530 VanDerWaalsContact C-N 3.3Å; E528-A530 PolarHBondContact O-N 3.25Å; A530-K534 VanDerWaalsContact O-CB 3.28Å; A530-K534 WeakPolarHBondContact O-CB 3.38Å; A530-K534 PolarHBondContact O-N 2.96Å
531R81Confident82Confident133 Ų133102.6 Ų102.650%0.50252%0.518SS..Hα-helixtrans-62.9-48.5173.6-77.9172.2-176.4106.64.8111.8Q527 E528 K534 Q535Q527-R531 VanDerWaalsContact O-CG 3.27Å; Q527-R531 WeakPolarHBondContact O-CG 3.47Å; Q527-R531 PolarHBondContact O-N 2.85Å; Q527-R531 VanDerWaalsContact OE1-CZ 3.26Å; E528-R531 PolarHBondContact O-N 3.14Å; R531-K534 PolarHBondContact O-N 3.09Å; R531-Q535 WeakPolarHBondContact O-CB 3.4Å; R531-Q535 PolarHBondContact O-N 3.33Å
532T82Confident82.4Confident77 Ų7799.4 Ų99.447%0.47252%0.515SS..Hα-helixtrans-69-36.7-179.751.20000112.3E528 L529 Q535 K536E528-T532 WeakPolarHBondContact O-CG2 3.23Å; E528-T532 PolarHBondContact O-N 2.93Å; E528-T532 PolarHBondContact O-OG1 3.18Å; L529-T532 WeakPolarHBondContact CA-OG1 3.39Å; L529-T532 PolarHBondContact O-OG1 2.88Å; L529-T532 VanDerWaalsContact O-OG1 3.1Å; T532-Q535 PolarHBondContact O-N 2.96Å; T532-K536 WeakPolarHBondContact O-CG 3.44Å; T532-K536 PolarHBondContact O-N 2.85Å
533S79.8Confident82.9Confident68 Ų68100.1 Ų100.148%0.47652%0.521SS..Hα-helixtrans-59.7-50.6169.4-178.40000111.5L529 Q535 K536 C537L529-S533 WeakPolarHBondContact O-CB 3.35Å; L529-S533 PolarHBondContact O-N 2.96Å; S533-Q535 VanDerWaalsContact C-N 3.29Å; S533-Q535 PolarHBondContact O-N 3.33Å; S533-K536 PolarHBondContact O-N 3.16Å; S533-C537 PolarHBondContact O-N 3.1Å; S533-C537 PolarHBondContact O-SG 2.85Å; S533-C537 VanDerWaalsContact O-SG 3.34Å
534K85.4Confident83.3Confident131 Ų13198.4 Ų98.457%0.5751%0.512SS*.Hα-helixtrans-59-39.3176.7-172.8-178.4-175.8-174.40112.5A530 R531 C537 F538A530-K534 VanDerWaalsContact O-CB 3.28Å; A530-K534 WeakPolarHBondContact O-CB 3.38Å; A530-K534 PolarHBondContact O-N 2.96Å; R531-K534 PolarHBondContact O-N 3.09Å; K534-C537 WeakPolarHBondContact O-CB 3.24Å; K534-C537 PolarHBondContact O-N 2.97Å; K534-F538 HydrophobicContact CD-CE2 4.19Å; K534-F538 HydrophobicContact CG-CD2 4.31Å; K534-F538 HydrophobicContact CG-CE2 3.88Å; K534-F538 HydrophobicContact CG-CZ 4.47Å; K534-F538 WeakPolarHBondContact O-CD2 3.38Å; K534-F538 PolarHBondContact O-N 3.3Å; K534-F538 VanDerWaalsContact O-N 3.11Å
535Q86Confident83.7Confident117 Ų11798.3 Ų98.355%0.54751%0.51SS..Hα-helixtrans-67.5-44177177.5154.8-17.600111.9R531 T532 S533 C537 F538 E539R531-Q535 WeakPolarHBondContact O-CB 3.4Å; R531-Q535 PolarHBondContact O-N 3.33Å; T532-Q535 PolarHBondContact O-N 2.96Å; S533-Q535 VanDerWaalsContact C-N 3.29Å; S533-Q535 PolarHBondContact O-N 3.33Å; Q535-C537 VanDerWaalsContact C-N 3.26Å; Q535-C537 PolarHBondContact O-N 3.29Å; Q535-F538 PolarHBondContact O-N 3.07Å; Q535-E539 HydrophobicContact CG-CG 4.4Å; Q535-E539 WeakPolarHBondContact CG-OE1 3.2Å; Q535-E539 PolarHBondContact NE2-OE1 3.28Å; Q535-E539 WeakPolarHBondContact O-CG 3.42Å; Q535-E539 PolarHBondContact O-N 2.93Å
536K86.4Confident84.2Confident135 Ų135100 Ų10059%0.58752%0.517SS*.Hα-helixtrans-59.5-35.4172.3-73.1176.8178.6-176.70112.6T532 S533 E539 L540T532-K536 WeakPolarHBondContact O-CG 3.44Å; T532-K536 PolarHBondContact O-N 2.85Å; S533-K536 PolarHBondContact O-N 3.16Å; K536-E539 PolarHBondContact O-N 3.1Å; K536-L540 WeakPolarHBondContact O-CB 3.24Å; K536-L540 WeakPolarHBondContact O-CG 3.38Å; K536-L540 PolarHBondContact O-N 3.47Å
537C82.1Confident84.8Confident74 Ų74102.9 Ų102.950%0.552%0.521SS..Hα-helixtrans-63.5-40.2172.1-66.60000112.5S533 K534 Q535 Q541S533-C537 PolarHBondContact O-N 3.1Å; S533-C537 PolarHBondContact O-SG 2.85Å; S533-C537 VanDerWaalsContact O-SG 3.34Å; K534-C537 WeakPolarHBondContact O-CB 3.24Å; K534-C537 PolarHBondContact O-N 2.97Å; Q535-C537 VanDerWaalsContact C-N 3.26Å; Q535-C537 PolarHBondContact O-N 3.29Å; C537-Q541 VanDerWaalsContact O-CB 3.25Å; C537-Q541 WeakPolarHBondContact O-CB 3.36Å; C537-Q541 PolarHBondContact O-N 2.9Å
538F86.1Confident85.5Confident116 Ų116105 Ų10551%0.50953%0.525SS..Hα-helixtrans-69.1-38.4174.5-71.1-49.6000112.8K534 Q535 Q541 A542K534-F538 HydrophobicContact CD-CE2 4.19Å; K534-F538 HydrophobicContact CG-CD2 4.31Å; K534-F538 HydrophobicContact CG-CE2 3.88Å; K534-F538 HydrophobicContact CG-CZ 4.47Å; K534-F538 WeakPolarHBondContact O-CD2 3.38Å; K534-F538 PolarHBondContact O-N 3.3Å; K534-F538 VanDerWaalsContact O-N 3.11Å; Q535-F538 PolarHBondContact O-N 3.07Å; F538-Q541 PolarHBondContact O-N 2.99Å; F538-A542 WeakPolarHBondContact O-CB 3.32Å; F538-A542 PolarHBondContact O-N 2.86Å
539E86.3Confident86Confident93 Ų93105.6 Ų105.644%0.43553%0.525SS..Hα-helixtrans-65.1-45.4176.9-71.4162.1-178.400111Q535 K536 A542 L543Q535-E539 HydrophobicContact CG-CG 4.4Å; Q535-E539 WeakPolarHBondContact CG-OE1 3.2Å; Q535-E539 PolarHBondContact NE2-OE1 3.28Å; Q535-E539 WeakPolarHBondContact O-CG 3.42Å; Q535-E539 PolarHBondContact O-N 2.93Å; K536-E539 PolarHBondContact O-N 3.1Å; E539-A542 PolarHBondContact O-N 3.28Å; E539-L543 WeakPolarHBondContact O-CG 3.43Å; E539-L543 PolarHBondContact O-N 3.16Å
540L87.6Confident86.4Confident118 Ų118102.1 Ų102.162%0.61852%0.516SS*.Hα-helixtrans-63.9-38.6172.4-73.3168.8000112.5K536 L544K536-L540 WeakPolarHBondContact O-CB 3.24Å; K536-L540 WeakPolarHBondContact O-CG 3.38Å; K536-L540 PolarHBondContact O-N 3.47Å; L540-L544 VanDerWaalsContact O-CB 3.24Å; L540-L544 WeakPolarHBondContact O-CB 3.36Å; L540-L544 PolarHBondContact O-N 2.81Å
541Q87.1Confident87Confident114 Ų114106.6 Ų106.653%0.53352%0.521SS..Hα-helixtrans-64-41.4174.9-176.9176.5-7.300111.3C537 F538 L544 E545C537-Q541 VanDerWaalsContact O-CB 3.25Å; C537-Q541 WeakPolarHBondContact O-CB 3.36Å; C537-Q541 PolarHBondContact O-N 2.9Å; F538-Q541 PolarHBondContact O-N 2.99Å; Q541-L544 PolarHBondContact O-N 2.96Å; Q541-E545 WeakPolarHBondContact O-CB 3.48Å; Q541-E545 PolarHBondContact O-N 2.84Å
542A87.9Confident87.5Confident58 Ų58106 Ų10648%0.47952%0.519SS..Hα-helixtrans-65.2-45.5178.100000112.2F538 E539 L544 E545 E546F538-A542 WeakPolarHBondContact O-CB 3.32Å; F538-A542 PolarHBondContact O-N 2.86Å; E539-A542 PolarHBondContact O-N 3.28Å; A542-L544 VanDerWaalsContact C-N 3.34Å; A542-L544 PolarHBondContact O-N 3.44Å; A542-E545 WeakPolarHBondContact O-CB 3.2Å; A542-E545 PolarHBondContact O-N 2.78Å; A542-E546 WeakPolarHBondContact O-CB 3.29Å; A542-E546 PolarHBondContact O-N 2.73Å
543L89.4Confident88Confident104 Ų104106.3 Ų106.355%0.54552%0.518SS..Hα-helixtrans-60.5-42.8175-70.9170.3000111.7E539 E545 E546 E547E539-L543 WeakPolarHBondContact O-CG 3.43Å; E539-L543 PolarHBondContact O-N 3.16Å; L543-E545 PolarHBondContact O-N 2.85Å; L543-E546 PolarHBondContact O-N 2.99Å; L543-E547 PolarHBondContact O-N 3.12Å
544L87.3Confident88.6Confident81 Ų81109.1 Ų109.142%0.42452%0.524SS..Hα-helixtrans-71.7-28.4179.3-169.4145.6000112.6L540 Q541 A542 R548L540-L544 VanDerWaalsContact O-CB 3.24Å; L540-L544 WeakPolarHBondContact O-CB 3.36Å; L540-L544 PolarHBondContact O-N 2.81Å; Q541-L544 PolarHBondContact O-N 2.96Å; A542-L544 VanDerWaalsContact C-N 3.34Å; A542-L544 PolarHBondContact O-N 3.44Å; L544-R548 WeakPolarHBondContact O-CB 3.32Å; L544-R548 WeakPolarHBondContact O-CD 3.5Å; L544-R548 WeakPolarHBondContact O-CG 3.48Å; L544-R548 PolarHBondContact O-N 2.74Å; L544-R548 VanDerWaalsContact O-N 3.14Å
545E88.3Confident88.9Confident92 Ų92107 Ų10743%0.4352%0.522SS..Hα-helixtrans-68.9-37.8169-162.976.6-108.400111.5Q541 A542 L543 K549 R552Q541-E545 WeakPolarHBondContact O-CB 3.48Å; Q541-E545 PolarHBondContact O-N 2.84Å; A542-E545 WeakPolarHBondContact O-CB 3.2Å; A542-E545 PolarHBondContact O-N 2.78Å; L543-E545 PolarHBondContact O-N 2.85Å; E545-K549 WeakPolarHBondContact O-CB 3.47Å; E545-K549 PolarHBondContact O-N 2.78Å; E545-R552 PolarHBondContact O-NH2 3.32Å; E545-R552 IonicContact OE1-NH2 2.61Å
546E90.4Very high89.1Confident131 Ų131106.6 Ų106.661%0.61252%0.52SS*.Hα-helixtrans-72.3-44.6177.5-175.9157.9-13800112.6A542 L543 R548 K549 A550A542-E546 WeakPolarHBondContact O-CB 3.29Å; A542-E546 PolarHBondContact O-N 2.73Å; L543-E546 PolarHBondContact O-N 2.99Å; E546-R548 VanDerWaalsContact C-N 3.35Å; E546-R548 PolarHBondContact O-N 2.78Å; E546-K549 CarbonylContact O-C 3.58Å; E546-K549 WeakPolarHBondContact O-CA 3.15Å; E546-K549 VanDerWaalsContact O-CB 3.31Å; E546-K549 WeakPolarHBondContact O-CB 3.45Å; E546-K549 PolarHBondContact O-N 2.92Å; E546-A550 PolarHBondContact O-N 3.2Å
547E89.4Confident89.4Confident120 Ų120104.3 Ų104.356%0.56151%0.511SS*.Hα-helixtrans-56.9-48.1169.9-75.5-173.2158.500110.9L543 K549 A550 Y551L543-E547 PolarHBondContact O-N 3.12Å; E547-K549 PolarHBondContact O-N 3.44Å; E547-A550 PolarHBondContact O-N 3.26Å; E547-A550 VanDerWaalsContact O-N 3.11Å; E547-Y551 VanDerWaalsContact O-CD2 3.24Å; E547-Y551 WeakPolarHBondContact O-CD2 3.43Å; E547-Y551 PolarHBondContact O-N 3.06Å
548R91.3Very high89.8Confident144 Ų144103.2 Ų103.254%0.54350%0.504SS..Hα-helixtrans-58-32.7174.1-77.5171.2173.4-179.4-1112.4L544 E546 R552L544-R548 WeakPolarHBondContact O-CB 3.32Å; L544-R548 WeakPolarHBondContact O-CD 3.5Å; L544-R548 WeakPolarHBondContact O-CG 3.48Å; L544-R548 PolarHBondContact O-N 2.74Å; L544-R548 VanDerWaalsContact O-N 3.14Å; E546-R548 VanDerWaalsContact C-N 3.35Å; E546-R548 PolarHBondContact O-N 2.78Å; R548-R552 WeakPolarHBondContact O-CB 3.49Å; R548-R552 VanDerWaalsContact O-CG 3.28Å; R548-R552 WeakPolarHBondContact O-CG 3.16Å; R548-R552 PolarHBondContact O-N 3.03Å; R548-R552 VanDerWaalsContact O-N 3.09Å; R548-R552 PolarHBondContact O-NE 3.45Å
549K92.3Very high90.1Very high124 Ų124100.5 Ų100.554%0.53950%0.497SS..Hα-helixtrans-72.5-42.9175.1-171.1-176177.1-1710111.4E545 E546 E547 R552 N553E545-K549 WeakPolarHBondContact O-CB 3.47Å; E545-K549 PolarHBondContact O-N 2.78Å; E546-K549 CarbonylContact O-C 3.58Å; E546-K549 WeakPolarHBondContact O-CA 3.15Å; E546-K549 VanDerWaalsContact O-CB 3.31Å; E546-K549 WeakPolarHBondContact O-CB 3.45Å; E546-K549 PolarHBondContact O-N 2.92Å; E547-K549 PolarHBondContact O-N 3.44Å; K549-R552 PolarHBondContact O-N 3.4Å; K549-N553 VanDerWaalsContact O-CG 3.22Å; K549-N553 PolarHBondContact O-N 3.2Å; K549-N553 PolarHBondContact O-OD1 2.83Å
550A90.9Very high90.5Very high57 Ų57100.6 Ų100.647%0.47150%0.496SS..Hα-helixtrans-60.2-46.5174.400000111.8E546 E547 N553 Q554E546-A550 PolarHBondContact O-N 3.2Å; E547-A550 PolarHBondContact O-N 3.26Å; E547-A550 VanDerWaalsContact O-N 3.11Å; A550-N553 PolarHBondContact O-N 2.86Å; A550-Q554 WeakPolarHBondContact O-CB 3.47Å; A550-Q554 PolarHBondContact O-N 2.76Å
551Y90.7Very high90.8Very high152 Ų152100.2 Ų100.260%0.59649%0.491SS*.Hα-helixtrans-61.5-42.9174.7-79.3-64.1000112.8E547 Q554 V555E547-Y551 VanDerWaalsContact O-CD2 3.24Å; E547-Y551 WeakPolarHBondContact O-CD2 3.43Å; E547-Y551 PolarHBondContact O-N 3.06Å; Y551-Q554 PolarHBondContact O-N 3.08Å; Y551-V555 WeakPolarHBondContact O-CG2 3.39Å; Y551-V555 PolarHBondContact O-N 2.92Å
552R90.9Very high91.1Very high119 Ų11999 Ų9945%0.44949%0.487SS..Hα-helixtrans-58-49.4173.6-80.3172.5-72.6-158.70.9111.5E545 R548 K549 Q554 V555 E556E545-R552 PolarHBondContact O-NH2 3.32Å; E545-R552 IonicContact OE1-NH2 2.61Å; R548-R552 WeakPolarHBondContact O-CB 3.49Å; R548-R552 VanDerWaalsContact O-CG 3.28Å; R548-R552 WeakPolarHBondContact O-CG 3.16Å; R548-R552 PolarHBondContact O-N 3.03Å; R548-R552 VanDerWaalsContact O-N 3.09Å; R548-R552 PolarHBondContact O-NE 3.45Å; K549-R552 PolarHBondContact O-N 3.4Å; R552-Q554 VanDerWaalsContact C-N 3.31Å; R552-Q554 PolarHBondContact O-N 3.01Å; R552-V555 PolarHBondContact O-N 3.07Å; R552-E556 WeakPolarHBondContact O-CG 3.42Å; R552-E556 PolarHBondContact O-N 3.04Å
553N92.1Very high91.2Very high84 Ų84101.7 Ų101.745%0.44949%0.49SS..Hα-helixtrans-59.2-40.6177.1-66.20.6000112.3K549 A550 E556 E557K549-N553 VanDerWaalsContact O-CG 3.22Å; K549-N553 PolarHBondContact O-N 3.2Å; K549-N553 PolarHBondContact O-OD1 2.83Å; A550-N553 PolarHBondContact O-N 2.86Å; N553-E556 PolarHBondContact O-N 3.32Å; N553-E557 WeakPolarHBondContact O-CB 3.41Å; N553-E557 PolarHBondContact O-N 3.49Å
554Q92.2Very high91.5Very high128 Ų128100.7 Ų100.760%0.59849%0.488SS*.Hα-helixtrans-67.1-39.3178.4-170.7-178.51400112.2A550 Y551 R552 E557 S558A550-Q554 WeakPolarHBondContact O-CB 3.47Å; A550-Q554 PolarHBondContact O-N 2.76Å; Y551-Q554 PolarHBondContact O-N 3.08Å; R552-Q554 VanDerWaalsContact C-N 3.31Å; R552-Q554 PolarHBondContact O-N 3.01Å; Q554-E557 PolarHBondContact O-N 3.28Å; Q554-S558 PolarHBondContact O-N 3.31Å; Q554-S558 PolarHBondContact O-OG 3.31Å
555V91.8Very high91.9Very high87 Ų87101.5 Ų101.553%0.52749%0.492SS..Hα-helixtrans-69.5-39.1175.3172.30000111.4Y551 R552 S558 T559Y551-V555 WeakPolarHBondContact O-CG2 3.39Å; Y551-V555 PolarHBondContact O-N 2.92Å; R552-V555 PolarHBondContact O-N 3.07Å; V555-S558 PolarHBondContact O-OG 2.92Å; V555-T559 VanDerWaalsContact O-CB 3.24Å; V555-T559 WeakPolarHBondContact O-CB 3.44Å; V555-T559 PolarHBondContact O-N 2.93Å; V555-T559 PolarHBondContact O-OG1 3.19Å
556E91.4Very high92.1Very high108 Ų108102.2 Ų102.251%0.50550%0.495SS..Hα-helixtrans-62.5-42.2172.9-76.4178.6-154.500111.9R552 N553 T559 K560R552-E556 WeakPolarHBondContact O-CG 3.42Å; R552-E556 PolarHBondContact O-N 3.04Å; N553-E556 PolarHBondContact O-N 3.32Å; E556-T559 PolarHBondContact O-N 3.27Å; E556-K560 WeakPolarHBondContact O-CE 3.36Å; E556-K560 WeakPolarHBondContact O-CG 3.39Å; E556-K560 PolarHBondContact O-N 3.46Å
557E91.9Very high92.2Very high87 Ų8798.6 Ų98.641%0.40749%0.488SS..Hα-helixtrans-72-41-178.7-164.156.9-147.300112.4N553 Q554 T559 K560 Q561N553-E557 WeakPolarHBondContact O-CB 3.41Å; N553-E557 PolarHBondContact O-N 3.49Å; Q554-E557 PolarHBondContact O-N 3.28Å; E557-T559 VanDerWaalsContact C-N 3.3Å; E557-T559 PolarHBondContact O-N 3.01Å; E557-K560 PolarHBondContact O-N 3.29Å; E557-K560 IonicContact OE2-NZ 3.88Å; E557-K560 PolarHBondContact OE2-NZ 3.27Å; E557-Q561 WeakPolarHBondContact O-CG 3.45Å; E557-Q561 PolarHBondContact O-N 3.06Å
558S89.9Confident92.5Very high50 Ų5098.4 Ų98.435%0.3549%0.487SS..Hα-helixtrans-64.9-35.1171.766.60000112Q554 V555 Q561 I562Q554-S558 PolarHBondContact O-N 3.31Å; Q554-S558 PolarHBondContact O-OG 3.31Å; V555-S558 PolarHBondContact O-OG 2.92Å; S558-Q561 PolarHBondContact O-N 3.44Å; S558-I562 WeakPolarHBondContact O-CB 3.34Å; S558-I562 WeakPolarHBondContact O-CD1 3.29Å; S558-I562 VanDerWaalsContact O-CG1 3.24Å; S558-I562 WeakPolarHBondContact O-CG1 3.49Å; S558-I562 PolarHBondContact O-N 2.87Å
559T92.8Very high92.6Very high60 Ų6097.1 Ų97.137%0.36849%0.491SS..Hα-helixtrans-62.7-43.5173.2-60.10000111.7V555 E556 E557 I562 Q563V555-T559 VanDerWaalsContact O-CB 3.24Å; V555-T559 WeakPolarHBondContact O-CB 3.44Å; V555-T559 PolarHBondContact O-N 2.93Å; V555-T559 PolarHBondContact O-OG1 3.19Å; E556-T559 PolarHBondContact O-N 3.27Å; E557-T559 VanDerWaalsContact C-N 3.3Å; E557-T559 PolarHBondContact O-N 3.01Å; T559-I562 PolarHBondContact O-N 3.41Å; T559-Q563 WeakPolarHBondContact O-CG 3.29Å; T559-Q563 PolarHBondContact O-N 2.97Å
560K94.3Very high92.7Very high94 Ų9497.6 Ų97.641%0.40950%0.495SS..Hα-helixtrans-61.1-44.3173.7-70.8168.7-133.3158.80111.6E556 E557 Q563 V564E556-K560 WeakPolarHBondContact O-CE 3.36Å; E556-K560 WeakPolarHBondContact O-CG 3.39Å; E556-K560 PolarHBondContact O-N 3.46Å; E557-K560 PolarHBondContact O-N 3.29Å; E557-K560 IonicContact OE2-NZ 3.88Å; E557-K560 PolarHBondContact OE2-NZ 3.27Å; K560-Q563 PolarHBondContact O-N 3.43Å; K560-V564 WeakPolarHBondContact O-CG2 3.43Å; K560-V564 PolarHBondContact O-N 2.84Å
561Q93.9Very high92.9Very high111 Ų111103.2 Ų103.252%0.51950%0.504SS..Hα-helixtrans-62.8-42.6177.8-69.7171.615.700111.7E557 S558 V564 L565E557-Q561 WeakPolarHBondContact O-CG 3.45Å; E557-Q561 PolarHBondContact O-N 3.06Å; S558-Q561 PolarHBondContact O-N 3.44Å; Q561-V564 PolarHBondContact O-N 3.4Å; Q561-L565 WeakPolarHBondContact O-CB 3.15Å; Q561-L565 WeakPolarHBondContact O-CG 3.27Å; Q561-L565 PolarHBondContact O-N 3.01Å
562I93.7Very high93.1Very high89 Ų89100.9 Ų100.946%0.45650%0.501SS..Hα-helixtrans-60.9-44.1173.5-70.7163.6000111S558 T559 L565 Q566S558-I562 WeakPolarHBondContact O-CB 3.34Å; S558-I562 WeakPolarHBondContact O-CD1 3.29Å; S558-I562 VanDerWaalsContact O-CG1 3.24Å; S558-I562 WeakPolarHBondContact O-CG1 3.49Å; S558-I562 PolarHBondContact O-N 2.87Å; T559-I562 PolarHBondContact O-N 3.41Å; I562-L565 PolarHBondContact O-N 2.92Å; I562-Q566 HydrophobicContact CG2-CG 4.32Å; I562-Q566 WeakPolarHBondContact O-CB 3.45Å; I562-Q566 VanDerWaalsContact O-CG 3.26Å; I562-Q566 WeakPolarHBondContact O-CG 3.27Å; I562-Q566 PolarHBondContact O-N 2.94Å
563Q91.5Very high93.3Very high114 Ų114101.2 Ų101.253%0.53351%0.507SS..Hα-helixtrans-63-41.1177-74.1173-0.300112.6T559 K560 Q566 A567T559-Q563 WeakPolarHBondContact O-CG 3.29Å; T559-Q563 PolarHBondContact O-N 2.97Å; K560-Q563 PolarHBondContact O-N 3.43Å; Q563-Q566 PolarHBondContact O-N 2.82Å; Q563-A567 WeakPolarHBondContact O-CB 3.43Å; Q563-A567 PolarHBondContact O-N 2.72Å
564V94.9Very high93.5Very high83 Ų83101.9 Ų101.950%0.50351%0.51SS..Hα-helixtrans-64.3-44.5175.6170.80000111K560 Q561 A567 Q568K560-V564 WeakPolarHBondContact O-CG2 3.43Å; K560-V564 PolarHBondContact O-N 2.84Å; Q561-V564 PolarHBondContact O-N 3.4Å; V564-A567 PolarHBondContact O-N 3.42Å; V564-Q568 WeakPolarHBondContact O-CG 3.33Å; V564-Q568 PolarHBondContact O-N 2.9Å
565L94.6Very high93.7Very high98 Ų9899.2 Ų99.251%0.51350%0.5SS..Hα-helixtrans-65.2-39.2176.7-70.5169.5000112Q561 I562 Q568 L569Q561-L565 WeakPolarHBondContact O-CB 3.15Å; Q561-L565 WeakPolarHBondContact O-CG 3.27Å; Q561-L565 PolarHBondContact O-N 3.01Å; I562-L565 PolarHBondContact O-N 2.92Å; L565-Q568 PolarHBondContact O-N 3.38Å; L565-L569 WeakPolarHBondContact O-CB 3.47Å; L565-L569 VanDerWaalsContact O-CG 3.29Å; L565-L569 WeakPolarHBondContact O-CG 3.41Å; L565-L569 PolarHBondContact O-N 2.72Å
566Q92.4Very high93.8Very high106 Ų10698.6 Ų98.650%0.49549%0.493SS..Hα-helixtrans-62.3-43.7173.7-76.9173-15.500111.9I562 Q563 L569 Q570I562-Q566 HydrophobicContact CG2-CG 4.32Å; I562-Q566 WeakPolarHBondContact O-CB 3.45Å; I562-Q566 VanDerWaalsContact O-CG 3.26Å; I562-Q566 WeakPolarHBondContact O-CG 3.27Å; I562-Q566 PolarHBondContact O-N 2.94Å; Q563-Q566 PolarHBondContact O-N 2.82Å; Q566-L569 PolarHBondContact O-N 3.43Å; Q566-Q570 WeakPolarHBondContact O-CB 3.33Å; Q566-Q570 WeakPolarHBondContact O-CG 3.4Å; Q566-Q570 PolarHBondContact O-N 2.87Å
567A93.7Very high94Very high56 Ų5697.7 Ų97.746%0.46349%0.488SS..Hα-helixtrans-65.7-37.5176.200000112.5Q563 V564 R571Q563-A567 WeakPolarHBondContact O-CB 3.43Å; Q563-A567 PolarHBondContact O-N 2.72Å; V564-A567 PolarHBondContact O-N 3.42Å; A567-R571 WeakPolarHBondContact O-CB 3.42Å; A567-R571 PolarHBondContact O-N 3.43Å
568Q94.8Very high94.2Very high115 Ų11597.5 Ų97.554%0.53749%0.49SS..Hα-helixtrans-65.8-43.7173.6-74.1175.1-600112V564 L565 R571 L572V564-Q568 WeakPolarHBondContact O-CG 3.33Å; V564-Q568 PolarHBondContact O-N 2.9Å; L565-Q568 PolarHBondContact O-N 3.38Å; Q568-R571 PolarHBondContact O-N 3.41Å; Q568-L572 WeakPolarHBondContact O-CB 3.45Å; Q568-L572 PolarHBondContact O-N 2.96Å
569L94.4Very high94.5Very high118 Ų118100.2 Ų100.262%0.61850%0.5SS*.Hα-helixtrans-63.8-42.7175.7-74.8168.2000112.2L565 Q566 R571 L572 H573L565-L569 WeakPolarHBondContact O-CB 3.47Å; L565-L569 VanDerWaalsContact O-CG 3.29Å; L565-L569 WeakPolarHBondContact O-CG 3.41Å; L565-L569 PolarHBondContact O-N 2.72Å; Q566-L569 PolarHBondContact O-N 3.43Å; L569-R571 PolarHBondContact O-N 2.79Å; L569-L572 PolarHBondContact O-N 3.4Å; L569-H573 WeakPolarHBondContact O-CB 3.47Å; L569-H573 PolarHBondContact O-N 3.32Å
570Q94Very high94.6Very high133 Ų133103.7 Ų103.762%0.62151%0.507SS*.Hα-helixtrans-60.8-43.7174.7-77175.3-7.400111.8Q566 H573 I574Q566-Q570 WeakPolarHBondContact O-CB 3.33Å; Q566-Q570 WeakPolarHBondContact O-CG 3.4Å; Q566-Q570 PolarHBondContact O-N 2.87Å; Q570-H573 PolarHBondContact O-N 3.31Å; Q570-I574 WeakPolarHBondContact O-CG1 3.34Å; Q570-I574 PolarHBondContact O-N 3.05Å; Q570-I574 VanDerWaalsContact O-N 3.08Å
571R94.3Very high94.6Very high176 Ų176105.6 Ų105.666%0.66452%0.517SS*.Hα-helixtrans-64.7-47.7177.1-176.5170-176.6153.85.7112A567 Q568 L569 H573 I574 D575A567-R571 WeakPolarHBondContact O-CB 3.42Å; A567-R571 PolarHBondContact O-N 3.43Å; Q568-R571 PolarHBondContact O-N 3.41Å; L569-R571 PolarHBondContact O-N 2.79Å; R571-H573 PolarHBondContact O-N 2.81Å; R571-I574 WeakPolarHBondContact O-CB 3.4Å; R571-I574 PolarHBondContact O-N 3.01Å; R571-I574 VanDerWaalsContact O-N 3.12Å; R571-D575 WeakPolarHBondContact CG-OD2 3.21Å; R571-D575 IonicContact NE-OD2 3.75Å; R571-D575 VanDerWaalsContact O-CG 3.28Å; R571-D575 PolarHBondContact O-N 2.69Å
572L95.9Very high94.7Very high102 Ų102106.3 Ų106.353%0.53452%0.521SS..Hα-helixtrans-62.7-30.8177.6-178.3143.4000112.2Q568 L569 I576Q568-L572 WeakPolarHBondContact O-CB 3.45Å; Q568-L572 PolarHBondContact O-N 2.96Å; L569-L572 PolarHBondContact O-N 3.4Å; L572-I576 HydrophobicContact CD2-CD1 3.6Å; L572-I576 HydrophobicContact CD2-CG1 4.47Å; L572-I576 HydrophobicContact CG-CD1 4.37Å; L572-I576 WeakPolarHBondContact O-CB 3.49Å; L572-I576 VanDerWaalsContact O-CG1 3.27Å; L572-I576 WeakPolarHBondContact O-CG1 3.49Å; L572-I576 PolarHBondContact O-N 3.26Å
573H95.1Very high94.8Very high126 Ų126106.3 Ų106.358%0.58352%0.517SS*.Hα-helixtrans-67.7-43.2172.4-173.935.3000112.3L569 Q570 R571 I576 E577L569-H573 WeakPolarHBondContact O-CB 3.47Å; L569-H573 PolarHBondContact O-N 3.32Å; Q570-H573 PolarHBondContact O-N 3.31Å; R571-H573 PolarHBondContact O-N 2.81Å; H573-I576 PolarHBondContact O-N 3.34Å; H573-E577 PolarHBondContact O-N 3.11Å
574I96.2Very high95Very high98 Ų98104.7 Ų104.750%0.50351%0.512SS..Hα-helixtrans-63.2-45.9173.8-68162.9000110.8Q570 R571 I576 E577 N578Q570-I574 WeakPolarHBondContact O-CG1 3.34Å; Q570-I574 PolarHBondContact O-N 3.05Å; Q570-I574 VanDerWaalsContact O-N 3.08Å; R571-I574 WeakPolarHBondContact O-CB 3.4Å; R571-I574 PolarHBondContact O-N 3.01Å; R571-I574 VanDerWaalsContact O-N 3.12Å; I574-I576 VanDerWaalsContact C-N 3.29Å; I574-I576 PolarHBondContact O-N 2.79Å; I574-E577 PolarHBondContact O-N 2.95Å; I574-E577 VanDerWaalsContact O-N 3.13Å; I574-N578 PolarHBondContact O-N 2.8Å; I574-N578 PolarHBondContact O-ND2 3.44Å
575D96Very high95Very high73 Ų73103.9 Ų103.939%0.3951%0.51SS..Hα-helixtrans-62.9-35.6179.1-64.9-27.8000111.3R571 L579R571-D575 WeakPolarHBondContact CG-OD2 3.21Å; R571-D575 IonicContact NE-OD2 3.75Å; R571-D575 VanDerWaalsContact O-CG 3.28Å; R571-D575 PolarHBondContact O-N 2.69Å; D575-L579 WeakPolarHBondContact O-CB 3.35Å; D575-L579 WeakPolarHBondContact O-CD1 3.49Å; D575-L579 VanDerWaalsContact O-CG 3.28Å; D575-L579 WeakPolarHBondContact O-CG 3.5Å; D575-L579 PolarHBondContact O-N 2.85Å
576I95.1Very high95Very high73 Ų73105.4 Ų105.437%0.37452%0.515SS..Hα-helixtrans-66.1-40.8171.8-77.7171.7000112.4L572 H573 I574 L579 R580L572-I576 HydrophobicContact CD2-CD1 3.6Å; L572-I576 HydrophobicContact CD2-CG1 4.47Å; L572-I576 HydrophobicContact CG-CD1 4.37Å; L572-I576 WeakPolarHBondContact O-CB 3.49Å; L572-I576 VanDerWaalsContact O-CG1 3.27Å; L572-I576 WeakPolarHBondContact O-CG1 3.49Å; L572-I576 PolarHBondContact O-N 3.26Å; H573-I576 PolarHBondContact O-N 3.34Å; I574-I576 VanDerWaalsContact C-N 3.29Å; I574-I576 PolarHBondContact O-N 2.79Å; I576-L579 PolarHBondContact O-N 3.25Å; I576-R580 WeakPolarHBondContact O-CG 3.36Å; I576-R580 PolarHBondContact O-N 3.04Å; I576-R580 VanDerWaalsContact O-N 3.09Å
577E95Very high95.1Very high89 Ų89104.6 Ų104.642%0.41651%0.513SS..Hα-helixtrans-72.9-40.4-177.9-15263.3-158.200111.4H573 I574 L579 R580 E581H573-E577 PolarHBondContact O-N 3.11Å; I574-E577 PolarHBondContact O-N 2.95Å; I574-E577 VanDerWaalsContact O-N 3.13Å; E577-L579 VanDerWaalsContact C-N 3.3Å; E577-L579 PolarHBondContact O-N 2.91Å; E577-R580 WeakPolarHBondContact O-CA 3.48Å; E577-R580 WeakPolarHBondContact O-CB 3.42Å; E577-R580 PolarHBondContact O-N 2.94Å; E577-R580 VanDerWaalsContact OE2-CD 3.32Å; E577-R580 WeakPolarHBondContact OE2-CD 3.47Å; E577-R580 IonicContact OE2-NE 3.67Å; E577-E581 PolarHBondContact O-N 2.92Å
578N95.5Very high95.2Very high83 Ų83105.8 Ų105.844%0.44451%0.514SS..Hα-helixtrans-54.8-45.4170.8-66.1-26000111.5I574 R580 E581 E582I574-N578 PolarHBondContact O-N 2.8Å; I574-N578 PolarHBondContact O-ND2 3.44Å; N578-R580 VanDerWaalsContact C-N 3.28Å; N578-R580 PolarHBondContact O-N 3.23Å; N578-E581 PolarHBondContact O-N 3.1Å; N578-E582 WeakPolarHBondContact O-CB 3.5Å; N578-E582 PolarHBondContact O-N 3.18Å
579L95.4Very high95.3Very high108 Ų108103.2 Ų103.257%0.56551%0.509SS*.Hα-helixtrans-67.9-23.7176.9-74.2169.7000113.3D575 I576 E577 K583D575-L579 WeakPolarHBondContact O-CB 3.35Å; D575-L579 WeakPolarHBondContact O-CD1 3.49Å; D575-L579 VanDerWaalsContact O-CG 3.28Å; D575-L579 WeakPolarHBondContact O-CG 3.5Å; D575-L579 PolarHBondContact O-N 2.85Å; I576-L579 PolarHBondContact O-N 3.25Å; E577-L579 VanDerWaalsContact C-N 3.3Å; E577-L579 PolarHBondContact O-N 2.91Å; L579-K583 WeakPolarHBondContact O-CB 3.39Å; L579-K583 PolarHBondContact O-N 3.03Å
580R95.6Very high95.3Very high133 Ų133101 Ų10150%0.50250%0.501SS..Hα-helixtrans-73.6-49.5171.1-72.6166.6-179.8-78.1-5.2110.6I576 E577 N578 K583 D584I576-R580 WeakPolarHBondContact O-CG 3.36Å; I576-R580 PolarHBondContact O-N 3.04Å; I576-R580 VanDerWaalsContact O-N 3.09Å; E577-R580 WeakPolarHBondContact O-CA 3.48Å; E577-R580 WeakPolarHBondContact O-CB 3.42Å; E577-R580 PolarHBondContact O-N 2.94Å; E577-R580 VanDerWaalsContact OE2-CD 3.32Å; E577-R580 WeakPolarHBondContact OE2-CD 3.47Å; E577-R580 IonicContact OE2-NE 3.67Å; N578-R580 VanDerWaalsContact C-N 3.28Å; N578-R580 PolarHBondContact O-N 3.23Å; R580-K583 PolarHBondContact O-N 3.47Å; R580-D584 WeakPolarHBondContact O-CB 3.39Å; R580-D584 PolarHBondContact O-N 3.21Å
581E95.4Very high95.4Very high134 Ų134102.8 Ų102.863%0.62650%0.502SS*.Hα-helixtrans-59.3-46.4178-68.6-170.2164.400111.6E577 N578 D584 S585E577-E581 PolarHBondContact O-N 2.92Å; N578-E581 PolarHBondContact O-N 3.1Å; E581-D584 PolarHBondContact O-N 3.2Å; E581-S585 WeakPolarHBondContact O-CB 3.46Å; E581-S585 PolarHBondContact O-N 3.38Å; E581-S585 PolarHBondContact O-OG 2.85Å
582E95.1Very high95.5Very high126 Ų12699.1 Ų99.159%0.58950%0.496SS*.Hα-helixtrans-58.1-54.4176.8-176.3170.6-142.600111.1N578 D584 S585 E586N578-E582 WeakPolarHBondContact O-CB 3.5Å; N578-E582 PolarHBondContact O-N 3.18Å; E582-D584 VanDerWaalsContact C-N 3.34Å; E582-D584 PolarHBondContact O-N 3.2Å; E582-S585 PolarHBondContact O-N 3.07Å; E582-S585 VanDerWaalsContact O-N 3.14Å; E582-S585 PolarHBondContact O-OG 2.88Å; E582-E586 PolarHBondContact O-N 2.76Å
583K95.9Very high95.5Very high89 Ų8999.6 Ų99.639%0.38750%0.495SS..Hα-helixtrans-62.5-35.3179174.8-114.159.6-1730113L579 R580 I587L579-K583 WeakPolarHBondContact O-CB 3.39Å; L579-K583 PolarHBondContact O-N 3.03Å; R580-K583 PolarHBondContact O-N 3.47Å; K583-I587 HydrophobicContact CD-CD1 4.19Å; K583-I587 HydrophobicContact CG-CD1 4.3Å; K583-I587 WeakPolarHBondContact O-CB 3.32Å; K583-I587 WeakPolarHBondContact O-CD1 3.19Å; K583-I587 WeakPolarHBondContact O-CG1 3.37Å; K583-I587 PolarHBondContact O-N 3.47Å; K583-I587 VanDerWaalsContact O-N 3.16Å
584D94.8Very high95.5Very high80 Ų8099.3 Ų99.343%0.42850%0.497SS..Hα-helixtrans-74.4-33.1176-79.2-44.5000111.3R580 E581 E582 I587 T588R580-D584 WeakPolarHBondContact O-CB 3.39Å; R580-D584 PolarHBondContact O-N 3.21Å; E581-D584 PolarHBondContact O-N 3.2Å; E582-D584 VanDerWaalsContact C-N 3.34Å; E582-D584 PolarHBondContact O-N 3.2Å; D584-I587 PolarHBondContact O-N 3.02Å; D584-T588 PolarHBondContact O-N 3.48Å; D584-T588 PolarHBondContact O-OG1 2.97Å
585S95.1Very high95.5Very high66 Ų6698.1 Ų98.146%0.46249%0.491SS..Hα-helixtrans-66.7-42.2173.679.40000112.5E581 E582 I587 T588 S589E581-S585 WeakPolarHBondContact O-CB 3.46Å; E581-S585 PolarHBondContact O-N 3.38Å; E581-S585 PolarHBondContact O-OG 2.85Å; E582-S585 PolarHBondContact O-N 3.07Å; E582-S585 VanDerWaalsContact O-N 3.14Å; E582-S585 PolarHBondContact O-OG 2.88Å; S585-I587 PolarHBondContact O-N 3.05Å; S585-T588 WeakPolarHBondContact CA-OG1 3.49Å; S585-T588 PolarHBondContact O-N 3Å; S585-T588 VanDerWaalsContact O-N 3.09Å; S585-T588 PolarHBondContact O-OG1 3.46Å; S585-S589 PolarHBondContact O-N 3.36Å
586E95.8Very high95.4Very high129 Ų12998.5 Ų98.560%0.60350%0.499SS*.Hα-helixtrans-64.7-39.9175.8-171.6178.6-149.300111.4E582 T588 S589 T590E582-E586 PolarHBondContact O-N 2.76Å; E586-T588 VanDerWaalsContact C-N 3.28Å; E586-T588 PolarHBondContact O-N 3.23Å; E586-S589 PolarHBondContact O-N 3.12Å; E586-T590 HydrophobicContact CG-CG2 4.45Å; E586-T590 WeakPolarHBondContact O-CB 3.44Å; E586-T590 WeakPolarHBondContact O-CG2 3.31Å; E586-T590 PolarHBondContact O-N 2.89Å; E586-T590 PolarHBondContact O-OG1 3.27Å
587I94.7Very high95.4Very high90 Ų9097.1 Ų97.146%0.46250%0.499SS..Hα-helixtrans-62.2-33.5171.9-72.4169.8000111.7K583 D584 S585 T590 R591K583-I587 HydrophobicContact CD-CD1 4.19Å; K583-I587 HydrophobicContact CG-CD1 4.3Å; K583-I587 WeakPolarHBondContact O-CB 3.32Å; K583-I587 WeakPolarHBondContact O-CD1 3.19Å; K583-I587 WeakPolarHBondContact O-CG1 3.37Å; K583-I587 PolarHBondContact O-N 3.47Å; K583-I587 VanDerWaalsContact O-N 3.16Å; D584-I587 PolarHBondContact O-N 3.02Å; S585-I587 PolarHBondContact O-N 3.05Å; I587-T590 PolarHBondContact O-OG1 2.99Å; I587-R591 WeakPolarHBondContact O-CB 3.33Å; I587-R591 PolarHBondContact O-N 3.33Å
588T95.7Very high95.4Very high80 Ų80100.7 Ų100.749%0.49151%0.509SS..Hα-helixtrans-73.1-44.4173.152.30000113.1D584 S585 E586 R591 D592D584-T588 PolarHBondContact O-N 3.48Å; D584-T588 PolarHBondContact O-OG1 2.97Å; S585-T588 WeakPolarHBondContact CA-OG1 3.49Å; S585-T588 PolarHBondContact O-N 3Å; S585-T588 VanDerWaalsContact O-N 3.09Å; S585-T588 PolarHBondContact O-OG1 3.46Å; E586-T588 VanDerWaalsContact C-N 3.28Å; E586-T588 PolarHBondContact O-N 3.23Å; T588-R591 PolarHBondContact O-N 3.29Å; T588-D592 PolarHBondContact O-N 2.88Å
589S96.1Very high95.4Very high62 Ų62101.4 Ų101.443%0.43451%0.513SS..Hα-helixtrans-60.4-52.9178.6-162.90000111.4S585 E586 R591 D592 E593S585-S589 PolarHBondContact O-N 3.36Å; E586-S589 PolarHBondContact O-N 3.12Å; S589-R591 PolarHBondContact O-N 2.9Å; S589-D592 PolarHBondContact O-N 2.99Å; S589-D592 VanDerWaalsContact O-N 3.09Å; S589-E593 WeakPolarHBondContact CB-OE1 3.42Å; S589-E593 WeakPolarHBondContact O-CB 3.46Å; S589-E593 VanDerWaalsContact O-CG 3.29Å; S589-E593 WeakPolarHBondContact O-CG 3.48Å; S589-E593 PolarHBondContact O-N 3.28Å; S589-E593 PolarHBondContact OG-OE1 3.13Å
590T94.6Very high95.4Very high72 Ų72101.9 Ų101.944%0.44251%0.512SS..Hα-helixtrans-61.5-28.9179.653.60000113.1E586 I587 L594E586-T590 HydrophobicContact CG-CG2 4.45Å; E586-T590 WeakPolarHBondContact O-CB 3.44Å; E586-T590 WeakPolarHBondContact O-CG2 3.31Å; E586-T590 PolarHBondContact O-N 2.89Å; E586-T590 PolarHBondContact O-OG1 3.27Å; I587-T590 PolarHBondContact O-OG1 2.99Å; T590-L594 VanDerWaalsContact O-CB 3.27Å; T590-L594 WeakPolarHBondContact O-CB 3.45Å; T590-L594 PolarHBondContact O-N 2.96Å; T590-L594 VanDerWaalsContact O-N 3.12Å
591R95.9Very high95.3Very high169 Ų169100 Ų10064%0.63851%0.511SS*.Hα-helixtrans-72.8-43.1173.7178.7178.2-177.4135.41.8112.6I587 T588 S589 L594 L595I587-R591 WeakPolarHBondContact O-CB 3.33Å; I587-R591 PolarHBondContact O-N 3.33Å; T588-R591 PolarHBondContact O-N 3.29Å; S589-R591 PolarHBondContact O-N 2.9Å; R591-L594 PolarHBondContact O-N 3.49Å; R591-L595 WeakPolarHBondContact O-CG 3.27Å; R591-L595 PolarHBondContact O-N 2.84Å
592D96Very high95.4Very high100 Ų10097.7 Ų97.754%0.53550%0.503SS..Hα-helixtrans-72.9-35.3-179.7-72.5-10.3000111.3T588 S589 L595 S596T588-D592 PolarHBondContact O-N 2.88Å; S589-D592 PolarHBondContact O-N 2.99Å; S589-D592 VanDerWaalsContact O-N 3.09Å; D592-L595 PolarHBondContact O-N 3.41Å; D592-S596 PolarHBondContact O-N 3.44Å
593E96.1Very high95.4Very high112 Ų11297 Ų9752%0.52350%0.502SS..Hα-helixtrans-58.8-45.6167.7-71.5162.5-132.300111.6S589 L595 S596 A597S589-E593 WeakPolarHBondContact CB-OE1 3.42Å; S589-E593 WeakPolarHBondContact O-CB 3.46Å; S589-E593 VanDerWaalsContact O-CG 3.29Å; S589-E593 WeakPolarHBondContact O-CG 3.48Å; S589-E593 PolarHBondContact O-N 3.28Å; S589-E593 PolarHBondContact OG-OE1 3.13Å; E593-L595 VanDerWaalsContact C-N 3.33Å; E593-L595 PolarHBondContact O-N 2.91Å; E593-S596 PolarHBondContact O-N 2.56Å; E593-A597 WeakPolarHBondContact O-CB 3.4Å; E593-A597 PolarHBondContact O-N 2.78Å
594L94.6Very high95.3Very high119 Ų11997.7 Ų97.762%0.62351%0.51SS*.Hα-helixtrans-67.3-31.2177.1-177.8145.4000112.8T590 R591 R598T590-L594 VanDerWaalsContact O-CB 3.27Å; T590-L594 WeakPolarHBondContact O-CB 3.45Å; T590-L594 PolarHBondContact O-N 2.96Å; T590-L594 VanDerWaalsContact O-N 3.12Å; R591-L594 PolarHBondContact O-N 3.49Å; L594-R598 WeakPolarHBondContact O-CB 3.28Å; L594-R598 PolarHBondContact O-N 3.42Å; L594-R598 VanDerWaalsContact O-N 3.13Å
595L96.3Very high95.3Very high74 Ų74100.1 Ų100.139%0.38752%0.518SS..Hα-helixtrans-68.4-46.2170.5-72.9170.4000111.2R591 D592 E593 A597 R598 D599R591-L595 WeakPolarHBondContact O-CG 3.27Å; R591-L595 PolarHBondContact O-N 2.84Å; D592-L595 PolarHBondContact O-N 3.41Å; E593-L595 VanDerWaalsContact C-N 3.33Å; E593-L595 PolarHBondContact O-N 2.91Å; L595-A597 PolarHBondContact O-N 2.99Å; L595-R598 WeakPolarHBondContact O-CB 3.33Å; L595-R598 PolarHBondContact O-N 3.16Å; L595-D599 PolarHBondContact O-N 2.86Å
596S95.3Very high95.3Very high80 Ų80102.1 Ų102.156%0.55952%0.52SS*.Hα-helixtrans-59.3-46.4176.8-1710000112D592 E593 R598 D599 E600D592-S596 PolarHBondContact O-N 3.44Å; E593-S596 PolarHBondContact O-N 2.56Å; S596-R598 VanDerWaalsContact C-N 3.3Å; S596-R598 PolarHBondContact O-N 2.84Å; S596-D599 PolarHBondContact O-N 3.04Å; S596-E600 PolarHBondContact O-N 3.19Å
597A94.3Very high95.2Very high45 Ų4598.8 Ų98.837%0.37252%0.515SS..Hα-helixtrans-63.5-35.2177.200000112.4E593 L595 I601E593-A597 WeakPolarHBondContact O-CB 3.4Å; E593-A597 PolarHBondContact O-N 2.78Å; L595-A597 PolarHBondContact O-N 2.99Å; A597-I601 WeakPolarHBondContact O-CD1 3.46Å; A597-I601 VanDerWaalsContact O-CG1 3.25Å; A597-I601 WeakPolarHBondContact O-CG1 3.5Å; A597-I601 PolarHBondContact O-N 2.89Å
598R94.9Very high94.9Very high163 Ų16397.2 Ų97.262%0.61552%0.515SS*.Hα-helixtrans-66.2-42.1175177.9-177.8176.7-176.6-1.4112.1L594 L595 S596 I601 L602L594-R598 WeakPolarHBondContact O-CB 3.28Å; L594-R598 PolarHBondContact O-N 3.42Å; L594-R598 VanDerWaalsContact O-N 3.13Å; L595-R598 WeakPolarHBondContact O-CB 3.33Å; L595-R598 PolarHBondContact O-N 3.16Å; S596-R598 VanDerWaalsContact C-N 3.3Å; S596-R598 PolarHBondContact O-N 2.84Å; R598-I601 PolarHBondContact O-N 3.07Å; R598-L602 PolarHBondContact O-N 2.92Å
599D95.9Very high94.9Very high98 Ų98100.3 Ų100.352%0.52452%0.524SS..Hα-helixtrans-70.8-35.3178.9-73.5-10.9000111.3L595 S596 L602 L603L595-D599 PolarHBondContact O-N 2.86Å; S596-D599 PolarHBondContact O-N 3.04Å; D599-L602 PolarHBondContact O-N 2.93Å; D599-L603 WeakPolarHBondContact O-CG 3.47Å; D599-L603 PolarHBondContact O-N 2.77Å
600E95.8Very high94.8Very high119 Ų119103.2 Ų103.256%0.55653%0.529SS*.Hα-helixtrans-61.4-47.4170.1-176.3172.7-161.500112S596 L602 L603 L604S596-E600 PolarHBondContact O-N 3.19Å; E600-L602 PolarHBondContact O-N 2.81Å; E600-L603 PolarHBondContact O-N 3.09Å; E600-L604 HydrophobicContact CG-CD1 4.03Å; E600-L604 HydrophobicContact CG-CG 4.38Å; E600-L604 WeakPolarHBondContact O-CB 3.44Å; E600-L604 WeakPolarHBondContact O-CG 3.44Å; E600-L604 PolarHBondContact O-N 3.08Å
601I93.6Very high94.6Very high94 Ų94101.1 Ų101.148%0.48252%0.519SS..Hα-helixtrans-56.9-39.5174.7-71.8163.9000111.3A597 R598 L604 H605A597-I601 WeakPolarHBondContact O-CD1 3.46Å; A597-I601 VanDerWaalsContact O-CG1 3.25Å; A597-I601 WeakPolarHBondContact O-CG1 3.5Å; A597-I601 PolarHBondContact O-N 2.89Å; R598-I601 PolarHBondContact O-N 3.07Å; I601-L604 PolarHBondContact O-N 3.47Å; I601-H605 WeakPolarHBondContact O-CB 3.45Å; I601-H605 PolarHBondContact O-N 2.86Å
602L96.1Very high94.3Very high85 Ų8595.1 Ų95.145%0.44551%0.506SS..Hα-helixtrans-67.8-40.5178.9-169.2149.9000112R598 D599 E600 H605 Q606R598-L602 PolarHBondContact O-N 2.92Å; D599-L602 PolarHBondContact O-N 2.93Å; E600-L602 PolarHBondContact O-N 2.81Å; L602-H605 PolarHBondContact O-N 2.93Å; L602-Q606 WeakPolarHBondContact O-CG 3.44Å; L602-Q606 PolarHBondContact O-N 3.43Å; L602-Q606 VanDerWaalsContact O-N 3.08Å
603L95.8Very high94.3Very high111 Ų11193.4 Ų93.458%0.58150%0.501SS*.Hα-helixtrans-65.7-41.6173.3-70.4170.4000112.1D599 E600 Q606 A607D599-L603 WeakPolarHBondContact O-CG 3.47Å; D599-L603 PolarHBondContact O-N 2.77Å; E600-L603 PolarHBondContact O-N 3.09Å; L603-Q606 PolarHBondContact O-N 2.76Å; L603-A607 WeakPolarHBondContact O-CB 3.26Å; L603-A607 PolarHBondContact O-N 3.04Å
604L94.5Very high94.1Very high103 Ų10392.2 Ų92.254%0.53950%0.496SS..Hα-helixtrans-63.5-40.2175.9-71.2172000111.8E600 I601 A607 A608E600-L604 HydrophobicContact CG-CD1 4.03Å; E600-L604 HydrophobicContact CG-CG 4.38Å; E600-L604 WeakPolarHBondContact O-CB 3.44Å; E600-L604 WeakPolarHBondContact O-CG 3.44Å; E600-L604 PolarHBondContact O-N 3.08Å; I601-L604 PolarHBondContact O-N 3.47Å; L604-A607 PolarHBondContact O-N 2.86Å; L604-A608 WeakPolarHBondContact O-CB 3.37Å; L604-A608 PolarHBondContact O-N 2.92Å
605H93.6Very high94Very high131 Ų13193.9 Ų93.961%0.60649%0.494SS*.Hα-helixtrans-61.9-45.3172.5-81.5-170.6000112.4I601 L602 A607 A608 E609I601-H605 WeakPolarHBondContact O-CB 3.45Å; I601-H605 PolarHBondContact O-N 2.86Å; L602-H605 PolarHBondContact O-N 2.93Å; H605-A607 VanDerWaalsContact C-N 3.34Å; H605-A607 PolarHBondContact O-N 2.8Å; H605-A608 PolarHBondContact O-N 3.04Å; H605-E609 WeakPolarHBondContact O-CB 3.41Å; H605-E609 PolarHBondContact O-N 3.28Å
606Q95.7Very high93.8Very high108 Ų10895.5 Ų95.551%0.50550%0.503SS..Hα-helixtrans-63.2-39.2176.5-72.3-179.92.800112.4L602 L603 K610L602-Q606 WeakPolarHBondContact O-CG 3.44Å; L602-Q606 PolarHBondContact O-N 3.43Å; L602-Q606 VanDerWaalsContact O-N 3.08Å; L603-Q606 PolarHBondContact O-N 2.76Å; Q606-K610 WeakPolarHBondContact O-CB 3.37Å; Q606-K610 PolarHBondContact O-N 2.76Å
607A92.8Very high93.8Very high59 Ų5996.2 Ų96.249%0.48850%0.504SS..Hα-helixtrans-64.8-40.8174.600000111.9L603 L604 H605 A611L603-A607 WeakPolarHBondContact O-CB 3.26Å; L603-A607 PolarHBondContact O-N 3.04Å; L604-A607 PolarHBondContact O-N 2.86Å; H605-A607 VanDerWaalsContact C-N 3.34Å; H605-A607 PolarHBondContact O-N 2.8Å; A607-A611 VanDerWaalsContact O-CB 3.28Å; A607-A611 WeakPolarHBondContact O-CB 3.33Å; A607-A611 PolarHBondContact O-N 3.31Å
608A89.4Confident93.8Very high58 Ų5898.8 Ų98.848%0.47951%0.511SS..Hα-helixtrans-66.9-43.5176.800000112.5L604 H605 A611 A612L604-A608 WeakPolarHBondContact O-CB 3.37Å; L604-A608 PolarHBondContact O-N 2.92Å; H605-A608 PolarHBondContact O-N 3.04Å; A608-A611 CarbonylContact O-C 3.59Å; A608-A611 PolarHBondContact O-N 2.92Å; A608-A612 WeakPolarHBondContact O-CB 3.29Å; A608-A612 PolarHBondContact O-N 3.21Å
609E94.9Very high93.6Very high144 Ų14494.9 Ų94.967%0.67350%0.502SS*.Hα-helixtrans-62.8-45.3176.2-175.9174.7-156.700111.3H605 A611 A612 S613H605-E609 WeakPolarHBondContact O-CB 3.41Å; H605-E609 PolarHBondContact O-N 3.28Å; E609-A611 PolarHBondContact O-N 3.17Å; E609-A612 WeakPolarHBondContact O-CB 3.46Å; E609-A612 PolarHBondContact O-N 3.37Å; E609-S613 PolarHBondContact O-N 2.64Å
610K95.4Very high93.5Very high124 Ų12492.9 Ų92.954%0.53950%0.499SS..Hα-helixtrans-59.3-49.3173.9-175.9171.6-177.8-78.70111.4Q606 A612 S613 E614Q606-K610 WeakPolarHBondContact O-CB 3.37Å; Q606-K610 PolarHBondContact O-N 2.76Å; K610-A612 PolarHBondContact O-N 2.98Å; K610-S613 PolarHBondContact O-N 3.4Å; K610-S613 VanDerWaalsContact O-N 3.11Å; K610-S613 PolarHBondContact O-OG 2.94Å; K610-E614 WeakPolarHBondContact CE-OE1 3.48Å; K610-E614 IonicContact NZ-OE1 3.66Å; K610-E614 PolarHBondContact NZ-OE1 3.44Å; K610-E614 WeakPolarHBondContact O-CG 3.49Å; K610-E614 PolarHBondContact O-N 3.44Å
611A90.1Very high93.4Very high27 Ų2790.2 Ų90.222%0.22349%0.493CS..Hα-helixtrans-67.4-19178.300000113.6A607 A608 E609 R615A607-A611 VanDerWaalsContact O-CB 3.28Å; A607-A611 WeakPolarHBondContact O-CB 3.33Å; A607-A611 PolarHBondContact O-N 3.31Å; A608-A611 CarbonylContact O-C 3.59Å; A608-A611 PolarHBondContact O-N 2.92Å; E609-A611 PolarHBondContact O-N 3.17Å; A611-R615 WeakPolarHBondContact O-CD 3.41Å; A611-R615 WeakPolarHBondContact O-CG 3.42Å; A611-R615 PolarHBondContact O-NH1 3.09Å
612A89.8Confident93.4Very high44 Ų4491.4 Ų91.436%0.36450%0.5SS..Hα-helixtrans-75.3-48.2167.800000110.6A608 E609 K610 E614 R615 D616A608-A612 WeakPolarHBondContact O-CB 3.29Å; A608-A612 PolarHBondContact O-N 3.21Å; E609-A612 WeakPolarHBondContact O-CB 3.46Å; E609-A612 PolarHBondContact O-N 3.37Å; K610-A612 PolarHBondContact O-N 2.98Å; A612-E614 VanDerWaalsContact C-N 3.31Å; A612-E614 PolarHBondContact O-N 2.71Å; A612-R615 WeakPolarHBondContact O-CB 3.42Å; A612-R615 PolarHBondContact O-N 3.34Å; A612-R615 VanDerWaalsContact O-N 3.16Å; A612-D616 PolarHBondContact O-N 2.92Å
613S94.5Very high93.2Very high63 Ų6392.3 Ų92.344%0.44150%0.502SS..Hα-helixtrans-60.5-37.7178.773.70000113.4E609 K610 D616 T617E609-S613 PolarHBondContact O-N 2.64Å; K610-S613 PolarHBondContact O-N 3.4Å; K610-S613 VanDerWaalsContact O-N 3.11Å; K610-S613 PolarHBondContact O-OG 2.94Å; S613-D616 PolarHBondContact O-N 2.97Å; S613-T617 PolarHBondContact O-N 2.9Å; S613-T617 VanDerWaalsContact O-N 3.1Å
614E93.6Very high93.2Very high87 Ų8792.7 Ų92.741%0.40750%0.501SS..Hα-helixtrans-63.5-47.4175.2-72.1170.5167.300110.7K610 A612 D616 T617 D618K610-E614 WeakPolarHBondContact CE-OE1 3.48Å; K610-E614 IonicContact NZ-OE1 3.66Å; K610-E614 PolarHBondContact NZ-OE1 3.44Å; K610-E614 WeakPolarHBondContact O-CG 3.49Å; K610-E614 PolarHBondContact O-N 3.44Å; A612-E614 VanDerWaalsContact C-N 3.31Å; A612-E614 PolarHBondContact O-N 2.71Å; E614-D616 VanDerWaalsContact C-N 3.34Å; E614-D616 PolarHBondContact O-N 2.65Å; E614-T617 PolarHBondContact O-N 2.93Å; E614-T617 VanDerWaalsContact O-N 3.13Å; E614-T617 PolarHBondContact O-OG1 3.04Å; E614-D618 PolarHBondContact O-N 3.27Å
615R91.7Very high93.2Very high155 Ų15591.7 Ų91.759%0.58549%0.493SS*.Hα-helixtrans-60.5-39.6175.2-71.3172.4-173.9117.4-8.9112.7A611 A612 T617 D618 I619A611-R615 WeakPolarHBondContact O-CD 3.41Å; A611-R615 WeakPolarHBondContact O-CG 3.42Å; A611-R615 PolarHBondContact O-NH1 3.09Å; A612-R615 WeakPolarHBondContact O-CB 3.42Å; A612-R615 PolarHBondContact O-N 3.34Å; A612-R615 VanDerWaalsContact O-N 3.16Å; R615-T617 VanDerWaalsContact C-N 3.32Å; R615-T617 PolarHBondContact O-N 3.47Å; R615-D618 PolarHBondContact O-N 3.4Å; R615-I619 WeakPolarHBondContact O-CB 3.24Å; R615-I619 WeakPolarHBondContact O-CD1 3.32Å; R615-I619 WeakPolarHBondContact O-CG1 3.26Å; R615-I619 PolarHBondContact O-N 3.5Å
616D92.6Very high93.1Very high108 Ų10889.7 Ų89.758%0.57849%0.487SS*.Hα-helixtrans-64.5-36.6176.5-79.8-25.3000111.8A612 S613 E614 I619 A620A612-D616 PolarHBondContact O-N 2.92Å; S613-D616 PolarHBondContact O-N 2.97Å; E614-D616 VanDerWaalsContact C-N 3.34Å; E614-D616 PolarHBondContact O-N 2.65Å; D616-I619 PolarHBondContact O-N 3.19Å; D616-A620 WeakPolarHBondContact O-CB 3.49Å; D616-A620 PolarHBondContact O-N 3.09Å
617T95.6Very high93Very high94 Ų9491 Ų9158%0.57749%0.491SS*.Hα-helixtrans-68.1-39.1173.258.60000113S613 E614 R615 A620 S621S613-T617 PolarHBondContact O-N 2.9Å; S613-T617 VanDerWaalsContact O-N 3.1Å; E614-T617 PolarHBondContact O-N 2.93Å; E614-T617 VanDerWaalsContact O-N 3.13Å; E614-T617 PolarHBondContact O-OG1 3.04Å; R615-T617 VanDerWaalsContact C-N 3.32Å; R615-T617 PolarHBondContact O-N 3.47Å; T617-A620 PolarHBondContact O-N 3.13Å; T617-S621 WeakPolarHBondContact O-CB 3.25Å; T617-S621 PolarHBondContact O-N 3.24Å
618D93.1Very high93.1Very high99 Ų9992.5 Ų92.553%0.52949%0.486SS..Hα-helixtrans-65-42.9173.8-76.6-28.1000111.6E614 R615 A620 S621 L622E614-D618 PolarHBondContact O-N 3.27Å; R615-D618 PolarHBondContact O-N 3.4Å; D618-A620 VanDerWaalsContact C-N 3.34Å; D618-A620 PolarHBondContact O-N 3.29Å; D618-S621 WeakPolarHBondContact O-CB 3.47Å; D618-S621 PolarHBondContact O-N 3.4Å; D618-L622 WeakPolarHBondContact O-CB 3.34Å; D618-L622 VanDerWaalsContact O-CG 3.29Å; D618-L622 WeakPolarHBondContact O-CG 3.47Å; D618-L622 PolarHBondContact O-N 2.76Å
619I91.8Very high93.3Very high81 Ų8193.8 Ų93.842%0.41549%0.488SS..Hα-helixtrans-60.9-42.9175.5-72.1164.2000110.5R615 D616 Q623R615-I619 WeakPolarHBondContact O-CB 3.24Å; R615-I619 WeakPolarHBondContact O-CD1 3.32Å; R615-I619 WeakPolarHBondContact O-CG1 3.26Å; R615-I619 PolarHBondContact O-N 3.5Å; D616-I619 PolarHBondContact O-N 3.19Å; I619-Q623 WeakPolarHBondContact O-CB 3.39Å; I619-Q623 VanDerWaalsContact O-CG 3.25Å; I619-Q623 WeakPolarHBondContact O-CG 3.36Å; I619-Q623 PolarHBondContact O-N 2.98Å
620A93.6Very high93.1Very high57 Ų5795.2 Ų95.247%0.47149%0.487SS..Hα-helixtrans-63.1-42.817600000112.3D616 T617 D618 Q623 Q624D616-A620 WeakPolarHBondContact O-CB 3.49Å; D616-A620 PolarHBondContact O-N 3.09Å; T617-A620 PolarHBondContact O-N 3.13Å; D618-A620 VanDerWaalsContact C-N 3.34Å; D618-A620 PolarHBondContact O-N 3.29Å; A620-Q623 PolarHBondContact O-N 3.32Å; A620-Q624 PolarHBondContact O-N 2.88Å
621S93.1Very high93.1Very high62 Ų6291.6 Ų91.643%0.43448%0.481SS..Hα-helixtrans-60.9-51.3175.3-176.10000111.9T617 D618 Q623 Q624 E625T617-S621 WeakPolarHBondContact O-CB 3.25Å; T617-S621 PolarHBondContact O-N 3.24Å; D618-S621 WeakPolarHBondContact O-CB 3.47Å; D618-S621 PolarHBondContact O-N 3.4Å; S621-Q623 VanDerWaalsContact C-N 3.31Å; S621-Q623 PolarHBondContact O-N 3.01Å; S621-Q624 WeakPolarHBondContact O-CA 3.28Å; S621-Q624 WeakPolarHBondContact O-CB 3.35Å; S621-Q624 PolarHBondContact O-N 2.91Å; S621-E625 PolarHBondContact O-N 3.01Å
622L94.6Very high93.2Very high120 Ų12094.5 Ų94.563%0.62849%0.49SS*.Hα-helixtrans-61-37.7177.3-70.2170.7000112.2D618 Q624 L626D618-L622 WeakPolarHBondContact O-CB 3.34Å; D618-L622 VanDerWaalsContact O-CG 3.29Å; D618-L622 WeakPolarHBondContact O-CG 3.47Å; D618-L622 PolarHBondContact O-N 2.76Å; L622-Q624 VanDerWaalsContact C-N 3.3Å; L622-Q624 PolarHBondContact O-N 2.98Å; L622-L626 WeakPolarHBondContact O-CB 3.24Å; L622-L626 PolarHBondContact O-N 3.44Å
623Q92.1Very high93.3Very high103 Ų10396.5 Ų96.548%0.48149%0.494SS..Hα-helixtrans-65.2-30.7172.6-76.7-17736.400113.1I619 A620 S621 K627I619-Q623 WeakPolarHBondContact O-CB 3.39Å; I619-Q623 VanDerWaalsContact O-CG 3.25Å; I619-Q623 WeakPolarHBondContact O-CG 3.36Å; I619-Q623 PolarHBondContact O-N 2.98Å; A620-Q623 PolarHBondContact O-N 3.32Å; S621-Q623 VanDerWaalsContact C-N 3.31Å; S621-Q623 PolarHBondContact O-N 3.01Å; Q623-K627 WeakPolarHBondContact O-CD 3.48Å; Q623-K627 VanDerWaalsContact O-CG 3.23Å; Q623-K627 WeakPolarHBondContact O-CG 3.46Å; Q623-K627 PolarHBondContact O-N 3.48Å
624Q95.9Very high93.2Very high120 Ų12098.3 Ų98.356%0.56150%0.495SS*.Hα-helixtrans-73.4-47.6175.8-178.3171-10.800111.5A620 S621 L622 L626 K627 K628A620-Q624 PolarHBondContact O-N 2.88Å; S621-Q624 WeakPolarHBondContact O-CA 3.28Å; S621-Q624 WeakPolarHBondContact O-CB 3.35Å; S621-Q624 PolarHBondContact O-N 2.91Å; L622-Q624 VanDerWaalsContact C-N 3.3Å; L622-Q624 PolarHBondContact O-N 2.98Å; Q624-L626 VanDerWaalsContact C-N 3.34Å; Q624-L626 PolarHBondContact O-N 2.74Å; Q624-K627 WeakPolarHBondContact O-CB 3.42Å; Q624-K627 PolarHBondContact O-N 2.78Å; Q624-K627 VanDerWaalsContact O-N 3.14Å; Q624-K628 PolarHBondContact O-N 2.99Å; Q624-K628 VanDerWaalsContact O-N 3.1Å
625E94.1Very high93.3Very high81 Ų81102.3 Ų102.338%0.37951%0.507SS..Hα-helixtrans-63.1-40.6176.3-60.6-45.9123.300111.7S621 K627 K628 V629S621-E625 PolarHBondContact O-N 3.01Å; E625-K627 PolarHBondContact O-N 3.45Å; E625-K628 WeakPolarHBondContact O-CB 3.48Å; E625-K628 PolarHBondContact O-N 3.17Å; E625-K628 VanDerWaalsContact OE1-CE 3.23Å; E625-K628 WeakPolarHBondContact OE1-CE 3.41Å; E625-K628 IonicContact OE1-NZ 3.19Å; E625-K628 PolarHBondContact OE1-NZ 3.44Å; E625-K628 WeakPolarHBondContact OE2-CD 3.48Å; E625-K628 WeakPolarHBondContact OE2-CE 3.47Å; E625-K628 IonicContact OE2-NZ 3.86Å; E625-K628 PolarHBondContact OE2-NZ 3.01Å; E625-V629 WeakPolarHBondContact O-CG2 3.41Å; E625-V629 PolarHBondContact O-N 3.03Å
626L90.4Very high93.3Very high89 Ų89103.8 Ų103.847%0.46651%0.512SS..Hα-helixtrans-62.9-29175.6-172.3149000112.6L622 Q624 R630L622-L626 WeakPolarHBondContact O-CB 3.24Å; L622-L626 PolarHBondContact O-N 3.44Å; Q624-L626 VanDerWaalsContact C-N 3.34Å; Q624-L626 PolarHBondContact O-N 2.74Å; L626-R630 VanDerWaalsContact CD2-CZ 3.45Å; L626-R630 WeakPolarHBondContact O-CB 3.45Å; L626-R630 VanDerWaalsContact O-CG 3.25Å; L626-R630 WeakPolarHBondContact O-CG 3.3Å; L626-R630 PolarHBondContact O-N 3.44Å
627K94.7Very high93.2Very high135 Ų135105.7 Ų105.759%0.58751%0.512SS*.Hα-helixtrans-70.9-40.7169.6-73.8162.7-172.5165.50112Q623 Q624 E625 A631Q623-K627 WeakPolarHBondContact O-CD 3.48Å; Q623-K627 VanDerWaalsContact O-CG 3.23Å; Q623-K627 WeakPolarHBondContact O-CG 3.46Å; Q623-K627 PolarHBondContact O-N 3.48Å; Q624-K627 WeakPolarHBondContact O-CB 3.42Å; Q624-K627 PolarHBondContact O-N 2.78Å; Q624-K627 VanDerWaalsContact O-N 3.14Å; E625-K627 PolarHBondContact O-N 3.45Å; K627-A631 PolarHBondContact O-N 3.48Å; K627-A631 VanDerWaalsContact O-N 3.14Å
628K95.1Very high93.2Very high91 Ų91107.1 Ų107.140%0.39651%0.51SS..Hα-helixtrans-62.5-52.1175.3-61.6-176.2-158.1158.50111.5Q624 E625 R630 A631 E632Q624-K628 PolarHBondContact O-N 2.99Å; Q624-K628 VanDerWaalsContact O-N 3.1Å; E625-K628 WeakPolarHBondContact O-CB 3.48Å; E625-K628 PolarHBondContact O-N 3.17Å; E625-K628 VanDerWaalsContact OE1-CE 3.23Å; E625-K628 WeakPolarHBondContact OE1-CE 3.41Å; E625-K628 IonicContact OE1-NZ 3.19Å; E625-K628 PolarHBondContact OE1-NZ 3.44Å; E625-K628 WeakPolarHBondContact OE2-CD 3.48Å; E625-K628 WeakPolarHBondContact OE2-CE 3.47Å; E625-K628 IonicContact OE2-NZ 3.86Å; E625-K628 PolarHBondContact OE2-NZ 3.01Å; K628-R630 VanDerWaalsContact C-N 3.27Å; K628-R630 PolarHBondContact O-N 2.96Å; K628-A631 WeakPolarHBondContact O-CA 3.36Å; K628-A631 WeakPolarHBondContact O-CB 3.15Å; K628-A631 PolarHBondContact O-N 3.49Å; K628-E632 PolarHBondContact O-N 2.61Å
629V92.1Very high93.1Very high85 Ų85103.6 Ų103.652%0.51550%0.495SS..Hα-helixtrans-59.5-37.8-179.4174.30000111.4E625 E632 L633E625-V629 WeakPolarHBondContact O-CG2 3.41Å; E625-V629 PolarHBondContact O-N 3.03Å; V629-E632 PolarHBondContact O-N 2.9Å; V629-L633 VanDerWaalsContact O-CB 3.24Å; V629-L633 WeakPolarHBondContact O-CB 3.47Å; V629-L633 PolarHBondContact O-N 2.95Å
630R92.2Very high92.8Very high174 Ų174102 Ų10266%0.65749%0.493SS*.Hα-helixtrans-61.9-43.7171.6-80175.5175.8178.30.8112.7L626 K628 E634L626-R630 VanDerWaalsContact CD2-CZ 3.45Å; L626-R630 WeakPolarHBondContact O-CB 3.45Å; L626-R630 VanDerWaalsContact O-CG 3.25Å; L626-R630 WeakPolarHBondContact O-CG 3.3Å; L626-R630 PolarHBondContact O-N 3.44Å; K628-R630 VanDerWaalsContact C-N 3.27Å; K628-R630 PolarHBondContact O-N 2.96Å; R630-E634 PolarHBondContact O-N 2.96Å; R630-E634 VanDerWaalsContact O-N 3.13Å
631A94Very high92.9Very high49 Ų49101.4 Ų101.441%0.40549%0.485SS..Hα-helixtrans-68-36.5178.700000112.5K627 K628 R635K627-A631 PolarHBondContact O-N 3.48Å; K627-A631 VanDerWaalsContact O-N 3.14Å; K628-A631 WeakPolarHBondContact O-CA 3.36Å; K628-A631 WeakPolarHBondContact O-CB 3.15Å; K628-A631 PolarHBondContact O-N 3.49Å; A631-R635 WeakPolarHBondContact O-CG 3.42Å; A631-R635 PolarHBondContact O-N 2.7Å; A631-R635 VanDerWaalsContact O-N 3.13Å
632E93.4Very high93Very high88 Ų88103 Ų10341%0.41149%0.486SS..Hα-helixtrans-69-44.3175-72.7170-17200112.1K628 V629 E634 R635 W636K628-E632 PolarHBondContact O-N 2.61Å; V629-E632 PolarHBondContact O-N 2.9Å; E632-E634 PolarHBondContact O-N 2.95Å; E632-R635 WeakPolarHBondContact O-CB 3.44Å; E632-R635 PolarHBondContact O-N 3.46Å; E632-R635 VanDerWaalsContact O-N 3.1Å; E632-W636 PolarHBondContact O-N 2.86Å
633L90.6Very high92.9Very high86 Ų86104.2 Ų104.245%0.4548%0.483SS..Hα-helixtrans-60.1-35.2175.7-175.8144.7000112.1V629 W636 R637V629-L633 VanDerWaalsContact O-CB 3.24Å; V629-L633 WeakPolarHBondContact O-CB 3.47Å; V629-L633 PolarHBondContact O-N 2.95Å; L633-W636 PolarHBondContact O-N 3.29Å; L633-R637 HydrophobicContact CD2-CG 4.49Å; L633-R637 VanDerWaalsContact CD2-CZ 3.44Å; L633-R637 WeakPolarHBondContact O-CG 3.33Å; L633-R637 PolarHBondContact O-N 3.33Å
634E93.5Very high92.9Very high101 Ų101105 Ų10547%0.47249%0.487SS..Hα-helixtrans-73.3-33.1174.9-157.458.9-146.600112.9R630 E632 R637 K638R630-E634 PolarHBondContact O-N 2.96Å; R630-E634 VanDerWaalsContact O-N 3.13Å; E632-E634 PolarHBondContact O-N 2.95Å; E634-R637 PolarHBondContact O-N 3.36Å; E634-R637 WeakPolarHBondContact OE2-CD 3.33Å; E634-R637 IonicContact OE2-CZ 3.05Å; E634-R637 IonicContact OE2-NE 2.57Å; E634-R637 IonicContact OE2-NH1 2.71Å; E634-R637 PolarHBondContact OE2-NH1 2.85Å; E634-K638 PolarHBondContact O-N 3.16Å
635R95.3Very high92.9Very high170 Ų170105.1 Ų105.164%0.64249%0.486SS*.Hα-helixtrans-62.6-44.9168.9-68.6168.3-173.8163.90.3111.2A631 E632 K638 A639A631-R635 WeakPolarHBondContact O-CG 3.42Å; A631-R635 PolarHBondContact O-N 2.7Å; A631-R635 VanDerWaalsContact O-N 3.13Å; E632-R635 WeakPolarHBondContact O-CB 3.44Å; E632-R635 PolarHBondContact O-N 3.46Å; E632-R635 VanDerWaalsContact O-N 3.1Å; R635-K638 PolarHBondContact O-N 3.14Å; R635-A639 PolarHBondContact O-N 2.92Å
636W90.7Very high93Very high186 Ų186106.5 Ų106.571%0.70549%0.492SS*.Hα-helixtrans-64-40178-74.3118.2000112.5E632 L633 K638 A639 A640E632-W636 PolarHBondContact O-N 2.86Å; L633-W636 PolarHBondContact O-N 3.29Å; W636-K638 PolarHBondContact O-N 3.42Å; W636-A639 PolarHBondContact O-N 3.37Å; W636-A640 WeakPolarHBondContact O-CB 3.42Å; W636-A640 PolarHBondContact O-N 2.94Å
637R90.9Very high93Very high149 Ų149106.7 Ų106.756%0.56249%0.493SS*.Hα-helixtrans-58-45.4170.4-78.1168.8168.1173.2-3.7112.6L633 E634 A640 S641L633-R637 HydrophobicContact CD2-CG 4.49Å; L633-R637 VanDerWaalsContact CD2-CZ 3.44Å; L633-R637 WeakPolarHBondContact O-CG 3.33Å; L633-R637 PolarHBondContact O-N 3.33Å; E634-R637 PolarHBondContact O-N 3.36Å; E634-R637 WeakPolarHBondContact OE2-CD 3.33Å; E634-R637 IonicContact OE2-CZ 3.05Å; E634-R637 IonicContact OE2-NE 2.57Å; E634-R637 IonicContact OE2-NH1 2.71Å; E634-R637 PolarHBondContact OE2-NH1 2.85Å; R637-A640 PolarHBondContact O-N 3.34Å; R637-S641 PolarHBondContact O-N 3.23Å
638K95.3Very high93Very high123 Ų123103.5 Ų103.554%0.53549%0.485SS..Hα-helixtrans-63.1-46.2178-174.2177.4173.4-71.90111.5E634 R635 W636 S641 E642E634-K638 PolarHBondContact O-N 3.16Å; R635-K638 PolarHBondContact O-N 3.14Å; W636-K638 PolarHBondContact O-N 3.42Å; K638-S641 PolarHBondContact O-N 3.09Å; K638-E642 WeakPolarHBondContact CE-OE1 3.47Å; K638-E642 IonicContact NZ-OE1 2.76Å; K638-E642 PolarHBondContact NZ-OE1 3.39Å; K638-E642 IonicContact NZ-OE2 3.63Å; K638-E642 PolarHBondContact NZ-OE2 2.8Å; K638-E642 WeakPolarHBondContact O-CG 3.37Å; K638-E642 PolarHBondContact O-N 3.4Å
639A92.3Very high93.1Very high26 Ų26102.9 Ų102.922%0.21549%0.492CS..Hα-helixtrans-61.3-43.7176.900000112.2R635 W636 S641 E642 Y643R635-A639 PolarHBondContact O-N 2.92Å; W636-A639 PolarHBondContact O-N 3.37Å; A639-S641 VanDerWaalsContact C-N 3.34Å; A639-S641 PolarHBondContact O-N 3.01Å; A639-E642 PolarHBondContact O-N 3.01Å; A639-Y643 HydrophobicContact CB-CE2 4.39Å; A639-Y643 WeakPolarHBondContact O-CD2 3.35Å; A639-Y643 PolarHBondContact O-N 2.81Å
640A85.3Confident93.2Very high47 Ų47103.5 Ų103.539%0.38849%0.492SS..Hα-helixtrans-57.8-45.8174.100000111.7W636 R637 E642 Y643 E644W636-A640 WeakPolarHBondContact O-CB 3.42Å; W636-A640 PolarHBondContact O-N 2.94Å; R637-A640 PolarHBondContact O-N 3.34Å; A640-E642 PolarHBondContact O-N 3.37Å; A640-Y643 PolarHBondContact O-N 2.92Å; A640-E644 WeakPolarHBondContact O-CG 3.48Å; A640-E644 PolarHBondContact O-N 2.99Å
641S94.7Very high93.2Very high44 Ų44100.9 Ų100.931%0.30849%0.487SS..Hα-helixtrans-67-21.6175.9-166.30000113.5R637 K638 A639 K645R637-S641 PolarHBondContact O-N 3.23Å; K638-S641 PolarHBondContact O-N 3.09Å; A639-S641 VanDerWaalsContact C-N 3.34Å; A639-S641 PolarHBondContact O-N 3.01Å; S641-K645 VanDerWaalsContact O-CG 3.29Å; S641-K645 WeakPolarHBondContact O-CG 3.44Å; S641-K645 PolarHBondContact O-NZ 2.99Å; S641-K645 PolarHBondContact OG-NZ 3.38Å
642E96.3Very high93.3Very high96 Ų96103 Ų10345%0.44949%0.491SS..Hα-helixtrans-78-43.4173-73.2172.3153.400110.5K638 A639 A640 E644 K645 E646K638-E642 WeakPolarHBondContact CE-OE1 3.47Å; K638-E642 IonicContact NZ-OE1 2.76Å; K638-E642 PolarHBondContact NZ-OE1 3.39Å; K638-E642 IonicContact NZ-OE2 3.63Å; K638-E642 PolarHBondContact NZ-OE2 2.8Å; K638-E642 WeakPolarHBondContact O-CG 3.37Å; K638-E642 PolarHBondContact O-N 3.4Å; A639-E642 PolarHBondContact O-N 3.01Å; A640-E642 PolarHBondContact O-N 3.37Å; E642-E644 PolarHBondContact O-N 3.27Å; E642-K645 PolarHBondContact O-N 2.94Å; E642-E646 PolarHBondContact O-N 3.13Å
643Y92.6Very high93.4Very high145 Ų145100.8 Ų100.857%0.56949%0.485SS*.Hα-helixtrans-63.7-38.1172.2-64.1-51.4000113.5A639 A640 K645 E646 I647A639-Y643 HydrophobicContact CB-CE2 4.39Å; A639-Y643 WeakPolarHBondContact O-CD2 3.35Å; A639-Y643 PolarHBondContact O-N 2.81Å; A640-Y643 PolarHBondContact O-N 2.92Å; Y643-K645 VanDerWaalsContact C-N 3.28Å; Y643-K645 PolarHBondContact O-N 3.08Å; Y643-E646 PolarHBondContact O-N 3.29Å; Y643-I647 WeakPolarHBondContact O-CB 3.36Å; Y643-I647 VanDerWaalsContact O-CG1 3.27Å; Y643-I647 WeakPolarHBondContact O-CG1 3.42Å; Y643-I647 PolarHBondContact O-N 2.84Å
644E91.8Very high93.3Very high119 Ų119103 Ų10356%0.55649%0.492SS*.Hα-helixtrans-57.7-40.4174.2-76.5171.416700112.1A640 E642 T648A640-E644 WeakPolarHBondContact O-CG 3.48Å; A640-E644 PolarHBondContact O-N 2.99Å; E642-E644 PolarHBondContact O-N 3.27Å; E644-T648 WeakPolarHBondContact O-CB 3.47Å; E644-T648 PolarHBondContact O-N 3.05Å; E644-T648 PolarHBondContact O-OG1 3.18Å
645K95.7Very high93.4Very high124 Ų124104.2 Ų104.254%0.53950%0.497SS..Hα-helixtrans-70.2-39.8176.7-66.8174.1-166.5890111.4S641 E642 Y643 T648 S649S641-K645 VanDerWaalsContact O-CG 3.29Å; S641-K645 WeakPolarHBondContact O-CG 3.44Å; S641-K645 PolarHBondContact O-NZ 2.99Å; S641-K645 PolarHBondContact OG-NZ 3.38Å; E642-K645 PolarHBondContact O-N 2.94Å; Y643-K645 VanDerWaalsContact C-N 3.28Å; Y643-K645 PolarHBondContact O-N 3.08Å; K645-T648 PolarHBondContact O-N 3.09Å; K645-S649 WeakPolarHBondContact O-CB 3.35Å; K645-S649 PolarHBondContact O-N 3.03Å
646E96.6Very high93.4Very high110 Ų110100.9 Ų100.951%0.51449%0.492SS..Hα-helixtrans-64.4-47.2175.7-175.4168.2-148.600111.7E642 Y643 T648 S649 L650E642-E646 PolarHBondContact O-N 3.13Å; Y643-E646 PolarHBondContact O-N 3.29Å; E646-T648 VanDerWaalsContact C-N 3.33Å; E646-T648 PolarHBondContact O-N 3.27Å; E646-S649 WeakPolarHBondContact O-CB 3.38Å; E646-S649 PolarHBondContact O-N 3.34Å; E646-S649 VanDerWaalsContact O-N 3.14Å; E646-L650 HydrophobicContact CG-CD1 4Å; E646-L650 HydrophobicContact CG-CG 4.39Å; E646-L650 WeakPolarHBondContact O-CB 3.36Å; E646-L650 WeakPolarHBondContact O-CG 3.45Å; E646-L650 PolarHBondContact O-N 3.2Å
647I90.4Very high93.5Very high92 Ų9299.1 Ų99.147%0.47249%0.485SS..Hα-helixtrans-56.4-46.9174-69.7164.2000110.5Y643 S649 L650 Q651Y643-I647 WeakPolarHBondContact O-CB 3.36Å; Y643-I647 VanDerWaalsContact O-CG1 3.27Å; Y643-I647 WeakPolarHBondContact O-CG1 3.42Å; Y643-I647 PolarHBondContact O-N 2.84Å; I647-S649 VanDerWaalsContact C-N 3.34Å; I647-S649 PolarHBondContact O-N 3.46Å; I647-L650 PolarHBondContact O-N 3.39Å; I647-Q651 HydrophobicContact CG2-CG 4.46Å; I647-Q651 WeakPolarHBondContact O-CB 3.13Å; I647-Q651 VanDerWaalsContact O-CG 3.26Å; I647-Q651 WeakPolarHBondContact O-CG 3.15Å; I647-Q651 PolarHBondContact O-N 2.99Å
648T94.6Very high93.4Very high69 Ų6994.4 Ų94.442%0.42347%0.474SS..Hα-helixtrans-62-41.5177.3-54.60000111.7E644 K645 E646 N652E644-T648 WeakPolarHBondContact O-CB 3.47Å; E644-T648 PolarHBondContact O-N 3.05Å; E644-T648 PolarHBondContact O-OG1 3.18Å; K645-T648 PolarHBondContact O-N 3.09Å; E646-T648 VanDerWaalsContact C-N 3.33Å; E646-T648 PolarHBondContact O-N 3.27Å; T648-N652 VanDerWaalsContact O-CG 3.25Å; T648-N652 PolarHBondContact O-N 3.1Å; T648-N652 PolarHBondContact O-ND2 3.3Å; T648-N652 VanDerWaalsContact O-ND2 3.16Å
649S96.3Very high93.3Very high77 Ų7793.5 Ų93.554%0.53847%0.472SS..Hα-helixtrans-64.6-44.7176.4-169.80000111.9K645 E646 I647 N652 S653K645-S649 WeakPolarHBondContact O-CB 3.35Å; K645-S649 PolarHBondContact O-N 3.03Å; E646-S649 WeakPolarHBondContact O-CB 3.38Å; E646-S649 PolarHBondContact O-N 3.34Å; E646-S649 VanDerWaalsContact O-N 3.14Å; I647-S649 VanDerWaalsContact C-N 3.34Å; I647-S649 PolarHBondContact O-N 3.46Å; S649-N652 PolarHBondContact O-N 3.39Å; S649-S653 WeakPolarHBondContact O-CB 3.34Å; S649-S653 PolarHBondContact O-N 3.39Å
650L95.3Very high93.4Very high99 Ų9996.8 Ų96.852%0.51848%0.483SS..Hα-helixtrans-63.8-43.7177.3-72.2171.7000111.6E646 I647 S653 F654E646-L650 HydrophobicContact CG-CD1 4Å; E646-L650 HydrophobicContact CG-CG 4.39Å; E646-L650 WeakPolarHBondContact O-CB 3.36Å; E646-L650 WeakPolarHBondContact O-CG 3.45Å; E646-L650 PolarHBondContact O-N 3.2Å; I647-L650 PolarHBondContact O-N 3.39Å; L650-S653 PolarHBondContact O-N 2.99Å; L650-S653 PolarHBondContact O-OG 3.01Å; L650-F654 WeakPolarHBondContact O-CB 3.31Å; L650-F654 PolarHBondContact O-N 2.65Å
651Q92.3Very high93.6Very high118 Ų11897.2 Ų97.255%0.55148%0.483SS*.Hα-helixtrans-57.6-48.6173.7-75.7171.7-7.800111.6I647 S653 F654 Q655I647-Q651 HydrophobicContact CG2-CG 4.46Å; I647-Q651 WeakPolarHBondContact O-CB 3.13Å; I647-Q651 VanDerWaalsContact O-CG 3.26Å; I647-Q651 WeakPolarHBondContact O-CG 3.15Å; I647-Q651 PolarHBondContact O-N 2.99Å; Q651-S653 VanDerWaalsContact C-N 3.34Å; Q651-S653 PolarHBondContact O-N 3.16Å; Q651-F654 PolarHBondContact O-N 3.08Å; Q651-Q655 PolarHBondContact O-N 3.37Å
652N94.6Very high93.4Very high94 Ų94100.1 Ų100.150%0.50349%0.491SS..Hα-helixtrans-60.8-41.4175.2-69.9-29000111.9T648 S649 F654 L656T648-N652 VanDerWaalsContact O-CG 3.25Å; T648-N652 PolarHBondContact O-N 3.1Å; T648-N652 PolarHBondContact O-ND2 3.3Å; T648-N652 VanDerWaalsContact O-ND2 3.16Å; S649-N652 PolarHBondContact O-N 3.39Å; N652-F654 VanDerWaalsContact C-N 3.28Å; N652-F654 PolarHBondContact O-N 3.12Å; N652-L656 WeakPolarHBondContact O-CB 3.25Å; N652-L656 PolarHBondContact O-N 2.9Å
653S95.6Very high93.3Very high41 Ų4198.4 Ų98.429%0.28749%0.485SS..Hα-helixtrans-66-28.9176.888.10000113.6S649 L650 Q651 R657S649-S653 WeakPolarHBondContact O-CB 3.34Å; S649-S653 PolarHBondContact O-N 3.39Å; L650-S653 PolarHBondContact O-N 2.99Å; L650-S653 PolarHBondContact O-OG 3.01Å; Q651-S653 VanDerWaalsContact C-N 3.34Å; Q651-S653 PolarHBondContact O-N 3.16Å; S653-R657 WeakPolarHBondContact O-CG 3.46Å; S653-R657 PolarHBondContact O-N 2.91Å; S653-R657 PolarHBondContact O-NE 3.5Å; S653-R657 PolarHBondContact OG-NH2 2.9Å
654F90.2Very high93.3Very high133 Ų13397.4 Ų97.458%0.58349%0.486SS*.Hα-helixtrans-79-48.7178.2178.2-101.3000109.9L650 Q651 N652 L656 R657 C658L650-F654 WeakPolarHBondContact O-CB 3.31Å; L650-F654 PolarHBondContact O-N 2.65Å; Q651-F654 PolarHBondContact O-N 3.08Å; N652-F654 VanDerWaalsContact C-N 3.28Å; N652-F654 PolarHBondContact O-N 3.12Å; F654-L656 VanDerWaalsContact C-N 3.3Å; F654-L656 PolarHBondContact O-N 3.31Å; F654-R657 PolarHBondContact O-N 3.44Å; F654-R657 VanDerWaalsContact O-N 3.07Å; F654-C658 VanDerWaalsContact CE1-SG 3.6Å; F654-C658 PolarHBondContact O-N 2.99Å; F654-C658 PolarHBondContact O-SG 2.96Å; F654-C658 VanDerWaalsContact O-SG 3.39Å
655Q94.6Very high93.2Very high126 Ų12697.9 Ų97.959%0.58949%0.488SS*.Hα-helixtrans-56.8-43.2175.1-174.9174.3-3.400111.9Q651 R657 C658 Q659Q651-Q655 PolarHBondContact O-N 3.37Å; Q655-R657 PolarHBondContact O-N 3.36Å; Q655-C658 PolarHBondContact O-N 3.4Å; Q655-Q659 PolarHBondContact O-N 3.48Å
656L95.5Very high93.1Very high100 Ų10097.8 Ų97.852%0.52448%0.484SS..Hα-helixtrans-61.5-42175.1-177.862.3000112.3N652 F654 Q659 Q660N652-L656 WeakPolarHBondContact O-CB 3.25Å; N652-L656 PolarHBondContact O-N 2.9Å; F654-L656 VanDerWaalsContact C-N 3.3Å; F654-L656 PolarHBondContact O-N 3.31Å; L656-Q659 PolarHBondContact O-N 2.92Å; L656-Q660 WeakPolarHBondContact O-CB 3.24Å; L656-Q660 VanDerWaalsContact O-CG 3.27Å; L656-Q660 WeakPolarHBondContact O-CG 3.47Å; L656-Q660 PolarHBondContact O-N 2.81Å
657R92.9Very high93Very high149 Ų14999.2 Ų99.256%0.56249%0.491SS*.Hα-helixtrans-68.8-36.7176.8-81.7-177.9-74.1172-6.5112.9S653 F654 Q655 C661S653-R657 WeakPolarHBondContact O-CG 3.46Å; S653-R657 PolarHBondContact O-N 2.91Å; S653-R657 PolarHBondContact O-NE 3.5Å; S653-R657 PolarHBondContact OG-NH2 2.9Å; F654-R657 PolarHBondContact O-N 3.44Å; F654-R657 VanDerWaalsContact O-N 3.07Å; Q655-R657 PolarHBondContact O-N 3.36Å; R657-C661 WeakPolarHBondContact O-CB 3.24Å; R657-C661 PolarHBondContact O-N 3.03Å
658C89Confident93.1Very high50 Ų5099.5 Ų99.534%0.33849%0.49SS..Hα-helixtrans-60.5-49171.8-69.30000110.7F654 Q655 Q660 C661 E662F654-C658 VanDerWaalsContact CE1-SG 3.6Å; F654-C658 PolarHBondContact O-N 2.99Å; F654-C658 PolarHBondContact O-SG 2.96Å; F654-C658 VanDerWaalsContact O-SG 3.39Å; Q655-C658 PolarHBondContact O-N 3.4Å; C658-Q660 PolarHBondContact O-N 3.1Å; C658-C661 WeakPolarHBondContact O-CB 3.2Å; C658-C661 PolarHBondContact O-N 2.86Å; C658-C661 VanDerWaalsContact O-N 3.13Å; C658-E662 PolarHBondContact O-N 3.34Å
659Q93.3Very high93Very high104 Ų10498.9 Ų98.949%0.48649%0.492SS..Hα-helixtrans-63.8-43179.7-170.3161.4300112.1Q655 L656 C661 E662 D663Q655-Q659 PolarHBondContact O-N 3.48Å; L656-Q659 PolarHBondContact O-N 2.92Å; Q659-C661 VanDerWaalsContact C-N 3.29Å; Q659-C661 PolarHBondContact O-N 3.4Å; Q659-E662 PolarHBondContact O-N 3.29Å; Q659-D663 WeakPolarHBondContact O-CB 3.26Å; Q659-D663 PolarHBondContact O-N 3.44Å
660Q94Very high92.9Very high95 Ų9599.7 Ų99.744%0.44449%0.494SS..Hα-helixtrans-58.4-38172.2-75.3172.1-15.400112.9L656 C658 Q664L656-Q660 WeakPolarHBondContact O-CB 3.24Å; L656-Q660 VanDerWaalsContact O-CG 3.27Å; L656-Q660 WeakPolarHBondContact O-CG 3.47Å; L656-Q660 PolarHBondContact O-N 2.81Å; C658-Q660 PolarHBondContact O-N 3.1Å; Q660-Q664 WeakPolarHBondContact O-CB 3.33Å; Q660-Q664 VanDerWaalsContact O-CG 3.27Å; Q660-Q664 WeakPolarHBondContact O-CG 3.44Å; Q660-Q664 PolarHBondContact O-N 2.91Å
661C90.1Very high92.9Very high57 Ų57100.8 Ų100.839%0.38549%0.491SS..Hα-helixtrans-69.2-41.8177.2-169.50000111.8R657 C658 Q659 Q665R657-C661 WeakPolarHBondContact O-CB 3.24Å; R657-C661 PolarHBondContact O-N 3.03Å; C658-C661 WeakPolarHBondContact O-CB 3.2Å; C658-C661 PolarHBondContact O-N 2.86Å; C658-C661 VanDerWaalsContact O-N 3.13Å; Q659-C661 VanDerWaalsContact C-N 3.29Å; Q659-C661 PolarHBondContact O-N 3.4Å; C661-Q665 WeakPolarHBondContact O-CB 3.39Å; C661-Q665 VanDerWaalsContact O-CG 3.29Å; C661-Q665 WeakPolarHBondContact O-CG 3.45Å; C661-Q665 PolarHBondContact O-N 3.29Å; C661-Q665 PolarHBondContact SG-NE2 3.42Å
662E89.9Confident93Very high104 Ų10499.3 Ų99.349%0.48649%0.487SS..Hα-helixtrans-64.5-41.4173-66.5-175.6-158.500112.4C658 Q659 Q665 R666C658-E662 PolarHBondContact O-N 3.34Å; Q659-E662 PolarHBondContact O-N 3.29Å; E662-Q665 PolarHBondContact O-N 3.29Å; E662-R666 WeakPolarHBondContact O-CG 3.33Å; E662-R666 PolarHBondContact O-N 3.36Å; E662-R666 IonicContact OE2-CZ 2.74Å; E662-R666 IonicContact OE2-NH2 3.73Å; E662-R666 PolarHBondContact OE2-NH2 2.97Å
663D93.6Very high93Very high61 Ų61100.5 Ų100.533%0.32649%0.489SS..Hα-helixtrans-61.9-46.7178.5-66.5-19.4000110.1Q659 Q665 R666 E667Q659-D663 WeakPolarHBondContact O-CB 3.26Å; Q659-D663 PolarHBondContact O-N 3.44Å; D663-Q665 PolarHBondContact O-N 2.95Å; D663-R666 PolarHBondContact O-N 2.94Å; D663-R666 IonicContact OD1-CZ 2.73Å; D663-R666 IonicContact OD1-NH1 3.79Å; D663-R666 PolarHBondContact OD1-NH1 3.34Å; D663-R666 IonicContact OD1-NH2 2.74Å; D663-R666 PolarHBondContact OD1-NH2 3.37Å; D663-E667 PolarHBondContact O-N 2.83Å
664Q93.6Very high92.9Very high124 Ų124100 Ų10058%0.57949%0.491SS*.Hα-helixtrans-59.5-44.2172.9-75.8174.4-400112.7Q660 R666 E667 E668Q660-Q664 WeakPolarHBondContact O-CB 3.33Å; Q660-Q664 VanDerWaalsContact O-CG 3.27Å; Q660-Q664 WeakPolarHBondContact O-CG 3.44Å; Q660-Q664 PolarHBondContact O-N 2.91Å; Q664-R666 VanDerWaalsContact C-N 3.29Å; Q664-R666 PolarHBondContact O-N 3.31Å; Q664-E667 PolarHBondContact O-N 2.9Å; Q664-E668 WeakPolarHBondContact O-CG 3.46Å; Q664-E668 PolarHBondContact O-N 2.92Å
665Q88.7Confident93.2Very high129 Ų12997.7 Ų97.760%0.60348%0.482SS*.Hα-helixtrans-62.7-35.8176.7-74.7176.724.900112.2C661 E662 D663 A669C661-Q665 WeakPolarHBondContact O-CB 3.39Å; C661-Q665 VanDerWaalsContact O-CG 3.29Å; C661-Q665 WeakPolarHBondContact O-CG 3.45Å; C661-Q665 PolarHBondContact O-N 3.29Å; C661-Q665 PolarHBondContact SG-NE2 3.42Å; E662-Q665 PolarHBondContact O-N 3.29Å; D663-Q665 PolarHBondContact O-N 2.95Å; Q665-A669 VanDerWaalsContact O-CB 3.23Å; Q665-A669 WeakPolarHBondContact O-CB 3.48Å; Q665-A669 PolarHBondContact O-N 3.32Å
666R93.4Very high93.1Very high122 Ų12297.5 Ų97.546%0.4649%0.485SS..Hα-helixtrans-71.4-37.1175.3-70.6-174.4-112.1102-4.2112E662 D663 Q664 T670E662-R666 WeakPolarHBondContact O-CG 3.33Å; E662-R666 PolarHBondContact O-N 3.36Å; E662-R666 IonicContact OE2-CZ 2.74Å; E662-R666 IonicContact OE2-NH2 3.73Å; E662-R666 PolarHBondContact OE2-NH2 2.97Å; D663-R666 PolarHBondContact O-N 2.94Å; D663-R666 IonicContact OD1-CZ 2.73Å; D663-R666 IonicContact OD1-NH1 3.79Å; D663-R666 PolarHBondContact OD1-NH1 3.34Å; D663-R666 IonicContact OD1-NH2 2.74Å; D663-R666 PolarHBondContact OD1-NH2 3.37Å; Q664-R666 VanDerWaalsContact C-N 3.29Å; Q664-R666 PolarHBondContact O-N 3.31Å; R666-T670 WeakPolarHBondContact O-CG2 3.37Å; R666-T670 PolarHBondContact O-N 2.97Å; R666-T670 VanDerWaalsContact O-N 3.09Å; R666-T670 PolarHBondContact O-OG1 3.29Å
667E94.8Very high93.1Very high140 Ų14097.3 Ų97.365%0.65448%0.481SS*.Hα-helixtrans-65.4-45.3171.2-72.6-172.4169.300112.5D663 Q664 T670 R671D663-E667 PolarHBondContact O-N 2.83Å; Q664-E667 PolarHBondContact O-N 2.9Å; E667-T670 PolarHBondContact O-N 2.97Å; E667-T670 PolarHBondContact O-OG1 2.88Å; E667-R671 WeakPolarHBondContact O-CB 3.28Å; E667-R671 PolarHBondContact O-N 2.62Å
668E93.6Very high93.3Very high97 Ų9796.2 Ų96.245%0.45348%0.48SS..Hα-helixtrans-65.7-40.8177.4-67.6-134.711000112.2Q664 T670 R671 L672Q664-E668 WeakPolarHBondContact O-CG 3.46Å; Q664-E668 PolarHBondContact O-N 2.92Å; E668-T670 PolarHBondContact O-N 3.14Å; E668-R671 PolarHBondContact O-N 3.08Å; E668-R671 IonicContact OE1-CZ 2.72Å; E668-R671 IonicContact OE1-NH1 2.72Å; E668-R671 PolarHBondContact OE1-NH1 3.34Å; E668-R671 IonicContact OE1-NH2 3.19Å; E668-R671 PolarHBondContact OE1-NH2 2.9Å; E668-L672 WeakPolarHBondContact O-CB 3.4Å; E668-L672 VanDerWaalsContact O-CG 3.32Å; E668-L672 WeakPolarHBondContact O-CG 3.42Å; E668-L672 PolarHBondContact O-N 3.4Å
669A91.9Very high93.5Very high56 Ų5698.9 Ų98.946%0.46349%0.49SS..Hα-helixtrans-61.3-43.2175.800000112Q665 Q673Q665-A669 VanDerWaalsContact O-CB 3.23Å; Q665-A669 WeakPolarHBondContact O-CB 3.48Å; Q665-A669 PolarHBondContact O-N 3.32Å; A669-Q673 WeakPolarHBondContact O-CB 3.32Å; A669-Q673 PolarHBondContact O-N 3.35Å
670T94.1Very high93.7Very high95 Ų95102.3 Ų102.358%0.58350%0.499SS*.Hα-helixtrans-70.3-35.217750.60000112.6R666 E667 E668 G674R666-T670 WeakPolarHBondContact O-CG2 3.37Å; R666-T670 PolarHBondContact O-N 2.97Å; R666-T670 VanDerWaalsContact O-N 3.09Å; R666-T670 PolarHBondContact O-OG1 3.29Å; E667-T670 PolarHBondContact O-N 2.97Å; E667-T670 PolarHBondContact O-OG1 2.88Å; E668-T670 PolarHBondContact O-N 3.14Å; T670-G674 PolarHBondContact O-N 3.25Å
671R96.2Very high93.7Very high122 Ų122103.6 Ų103.646%0.4650%0.503SS..Hα-helixtrans-59.7-52.8171-171.9-175.575.1-130-3.9111.4E667 E668 Q673 G674 E675E667-R671 WeakPolarHBondContact O-CB 3.28Å; E667-R671 PolarHBondContact O-N 2.62Å; E668-R671 PolarHBondContact O-N 3.08Å; E668-R671 IonicContact OE1-CZ 2.72Å; E668-R671 IonicContact OE1-NH1 2.72Å; E668-R671 PolarHBondContact OE1-NH1 3.34Å; E668-R671 IonicContact OE1-NH2 3.19Å; E668-R671 PolarHBondContact OE1-NH2 2.9Å; R671-Q673 VanDerWaalsContact C-N 3.34Å; R671-Q673 PolarHBondContact O-N 2.94Å; R671-G674 PolarHBondContact O-N 3.35Å; R671-G674 VanDerWaalsContact O-N 3.13Å; R671-E675 WeakPolarHBondContact CG-OE1 3.44Å; R671-E675 IonicContact NE-OE1 2.76Å; R671-E675 PolarHBondContact O-N 2.66Å
672L93.8Very high94Very high86 Ų86106.7 Ų106.745%0.4551%0.512SS..Hα-helixtrans-62.9-38.4-179.9-71.1170.8000112.1E668 E675 L676E668-L672 WeakPolarHBondContact O-CB 3.4Å; E668-L672 VanDerWaalsContact O-CG 3.32Å; E668-L672 WeakPolarHBondContact O-CG 3.42Å; E668-L672 PolarHBondContact O-N 3.4Å; L672-E675 PolarHBondContact O-N 2.92Å; L672-L676 WeakPolarHBondContact O-CG 3.45Å; L672-L676 PolarHBondContact O-N 3.37Å
673Q94.4Very high94.2Very high119 Ų119108.8 Ų108.856%0.55652%0.515SS*.Hα-helixtrans-62.8-41.8173.3-176172.5-25.100111.7A669 R671 E675 L676 E677A669-Q673 WeakPolarHBondContact O-CB 3.32Å; A669-Q673 PolarHBondContact O-N 3.35Å; R671-Q673 VanDerWaalsContact C-N 3.34Å; R671-Q673 PolarHBondContact O-N 2.94Å; Q673-E675 VanDerWaalsContact C-N 3.33Å; Q673-E675 PolarHBondContact O-N 2.96Å; Q673-L676 PolarHBondContact O-N 3Å; Q673-E677 PolarHBondContact O-N 3.37Å
674G94.3Very high94.3Very high32 Ų32109.1 Ų109.133%0.3352%0.517SS..Hα-helixtrans-64.8-32.3174.500000113.9T670 R671 K678T670-G674 PolarHBondContact O-N 3.25Å; R671-G674 PolarHBondContact O-N 3.35Å; R671-G674 VanDerWaalsContact O-N 3.13Å; G674-K678 WeakPolarHBondContact O-CG 3.36Å; G674-K678 PolarHBondContact O-N 2.88Å
675E95.8Very high94.4Very high83 Ų83105.7 Ų105.739%0.38851%0.51SS..Hα-helixtrans-72.1-45.2173.1-73.2169-163.800111.8R671 L672 Q673 E677 K678 L679R671-E675 WeakPolarHBondContact CG-OE1 3.44Å; R671-E675 IonicContact NE-OE1 2.76Å; R671-E675 PolarHBondContact O-N 2.66Å; L672-E675 PolarHBondContact O-N 2.92Å; Q673-E675 VanDerWaalsContact C-N 3.33Å; Q673-E675 PolarHBondContact O-N 2.96Å; E675-E677 VanDerWaalsContact C-N 3.26Å; E675-E677 PolarHBondContact O-N 3.11Å; E675-K678 WeakPolarHBondContact O-CB 3.44Å; E675-K678 PolarHBondContact O-N 3.07Å; E675-L679 WeakPolarHBondContact O-CD1 3.5Å; E675-L679 PolarHBondContact O-N 3.48Å
676L93.3Very high94.7Very high123 Ų123104.9 Ų104.964%0.64451%0.509SS*.Hα-helixtrans-58.6-38173.4-72.6170.9000112L672 Q673 R680L672-L676 WeakPolarHBondContact O-CG 3.45Å; L672-L676 PolarHBondContact O-N 3.37Å; Q673-L676 PolarHBondContact O-N 3Å; L676-R680 VanDerWaalsContact O-CB 3.27Å; L676-R680 WeakPolarHBondContact O-CB 3.27Å; L676-R680 PolarHBondContact O-N 3.32Å
677E95.1Very high94.8Very high96 Ų96103 Ų10345%0.44951%0.506SS..Hα-helixtrans-65.8-32.3173.5-85-164.6-14700114.1Q673 E675 K681Q673-E677 PolarHBondContact O-N 3.37Å; E675-E677 VanDerWaalsContact C-N 3.26Å; E675-E677 PolarHBondContact O-N 3.11Å; E677-K681 VanDerWaalsContact O-CD 3.22Å; E677-K681 WeakPolarHBondContact O-CD 3.36Å; E677-K681 VanDerWaalsContact O-CG 3.23Å; E677-K681 WeakPolarHBondContact O-CG 3.35Å; E677-K681 PolarHBondContact O-N 3.22Å; E677-K681 IonicContact OE2-NZ 2.65Å; E677-K681 PolarHBondContact OE2-NZ 2.95Å
678K95.8Very high94.8Very high126 Ų126100.8 Ų100.855%0.54850%0.502SS..Hα-helixtrans-70.8-53.1173.8-71.5169.2-175.7172.40110.6G674 E675 R680 K681 E682G674-K678 WeakPolarHBondContact O-CG 3.36Å; G674-K678 PolarHBondContact O-N 2.88Å; E675-K678 WeakPolarHBondContact O-CB 3.44Å; E675-K678 PolarHBondContact O-N 3.07Å; K678-R680 PolarHBondContact O-N 2.88Å; K678-K681 WeakPolarHBondContact O-CA 3.47Å; K678-K681 WeakPolarHBondContact O-CB 3.36Å; K678-K681 PolarHBondContact O-N 3.08Å; K678-E682 WeakPolarHBondContact O-CG 3.48Å; K678-E682 PolarHBondContact O-N 3.49Å
679L94.8Very high94.9Very high105 Ų105101.4 Ų101.455%0.5551%0.505SS..Hα-helixtrans-55.8-36.7177.4-92.368.5000111.6E675 E682 W683E675-L679 WeakPolarHBondContact O-CD1 3.5Å; E675-L679 PolarHBondContact O-N 3.48Å; L679-E682 PolarHBondContact O-N 2.69Å; L679-W683 VanDerWaalsContact O-CB 3.23Å; L679-W683 WeakPolarHBondContact O-CB 3.24Å; L679-W683 PolarHBondContact O-N 2.9Å
680R95.8Very high95Very high177 Ų177102.5 Ų102.567%0.66851%0.508SS*.Hα-helixtrans-68.2-36.2175.2-167.2174.6-173.5-144.4-0.9113.2L676 K678 N684L676-R680 VanDerWaalsContact O-CB 3.27Å; L676-R680 WeakPolarHBondContact O-CB 3.27Å; L676-R680 PolarHBondContact O-N 3.32Å; K678-R680 PolarHBondContact O-N 2.88Å; R680-N684 WeakPolarHBondContact O-CB 3.17Å; R680-N684 PolarHBondContact O-N 3.47Å; R680-N684 PolarHBondContact O-ND2 3.46Å; R680-N684 PolarHBondContact O-OD1 3.15Å
681K95.8Very high95Very high122 Ų122103 Ų10353%0.5350%0.504SS..Hα-helixtrans-68.9-41.5174.4-71.4158.7-169151.60110.9E677 K678 A685E677-K681 VanDerWaalsContact O-CD 3.22Å; E677-K681 WeakPolarHBondContact O-CD 3.36Å; E677-K681 VanDerWaalsContact O-CG 3.23Å; E677-K681 WeakPolarHBondContact O-CG 3.35Å; E677-K681 PolarHBondContact O-N 3.22Å; E677-K681 IonicContact OE2-NZ 2.65Å; E677-K681 PolarHBondContact OE2-NZ 2.95Å; K678-K681 WeakPolarHBondContact O-CA 3.47Å; K678-K681 WeakPolarHBondContact O-CB 3.36Å; K678-K681 PolarHBondContact O-N 3.08Å; K681-A685 WeakPolarHBondContact O-CB 3.3Å; K681-A685 PolarHBondContact O-N 3.22Å
682E96Very high95Very high122 Ų12299.8 Ų99.857%0.5750%0.5SS*.Hα-helixtrans-64.9-44.7175.6-70.2162.6-160.700111.9K678 L679 A685 L686K678-E682 WeakPolarHBondContact O-CG 3.48Å; K678-E682 PolarHBondContact O-N 3.49Å; L679-E682 PolarHBondContact O-N 2.69Å; E682-A685 WeakPolarHBondContact O-CB 3.39Å; E682-A685 PolarHBondContact O-N 3.36Å; E682-L686 PolarHBondContact O-N 3.4Å
683W94.5Very high95Very high147 Ų147100.3 Ų100.356%0.55750%0.503SS*.Hα-helixtrans-62.1-45.7175.6-179.283.4000112.2L679 A685 L686 E687L679-W683 VanDerWaalsContact O-CB 3.23Å; L679-W683 WeakPolarHBondContact O-CB 3.24Å; L679-W683 PolarHBondContact O-N 2.9Å; W683-A685 VanDerWaalsContact C-N 3.28Å; W683-A685 PolarHBondContact O-N 2.94Å; W683-L686 PolarHBondContact O-N 3.45Å; W683-E687 WeakPolarHBondContact CH2-OE1 3.43Å; W683-E687 WeakPolarHBondContact O-CB 3.18Å; W683-E687 PolarHBondContact O-N 2.98Å
684N94.8Very high95Very high68 Ų68101.6 Ų101.636%0.36451%0.506SS..Hα-helixtrans-58.5-40.2173.2-70.5-13.5000111.7R680 E687 T688R680-N684 WeakPolarHBondContact O-CB 3.17Å; R680-N684 PolarHBondContact O-N 3.47Å; R680-N684 PolarHBondContact O-ND2 3.46Å; R680-N684 PolarHBondContact O-OD1 3.15Å; N684-E687 PolarHBondContact O-N 3.47Å; N684-T688 WeakPolarHBondContact O-CG2 3.4Å; N684-T688 PolarHBondContact O-N 3.4Å; N684-T688 PolarHBondContact O-OG1 2.97Å
685A95.5Very high95Very high53 Ų53107.6 Ų107.644%0.43852%0.519SS..Hα-helixtrans-65.4-48.2178.600000110.9K681 E682 W683 E687 T688 E689K681-A685 WeakPolarHBondContact O-CB 3.3Å; K681-A685 PolarHBondContact O-N 3.22Å; E682-A685 WeakPolarHBondContact O-CB 3.39Å; E682-A685 PolarHBondContact O-N 3.36Å; W683-A685 VanDerWaalsContact C-N 3.28Å; W683-A685 PolarHBondContact O-N 2.94Å; A685-E687 VanDerWaalsContact C-N 3.3Å; A685-E687 PolarHBondContact O-N 3.24Å; A685-T688 PolarHBondContact O-N 3.49Å; A685-T688 VanDerWaalsContact O-N 3.13Å; A685-T688 PolarHBondContact O-OG1 3.31Å; A685-E689 PolarHBondContact O-N 3Å
686L94.6Very high95Very high111 Ų111108.7 Ų108.758%0.58152%0.524SS*.Hα-helixtrans-62.9-34.5176.8-170.666000112.5E682 W683 E689 C690E682-L686 PolarHBondContact O-N 3.4Å; W683-L686 PolarHBondContact O-N 3.45Å; L686-E689 PolarHBondContact O-N 2.89Å; L686-C690 VanDerWaalsContact O-CB 3.26Å; L686-C690 WeakPolarHBondContact O-CB 3.47Å; L686-C690 PolarHBondContact O-N 3.06Å
687E95.3Very high95Very high84 Ų84107.7 Ų107.739%0.39352%0.519SS..Hα-helixtrans-63.7-45172.4-175.5175.1-122.300111.2W683 N684 A685 C690 H691W683-E687 WeakPolarHBondContact CH2-OE1 3.43Å; W683-E687 WeakPolarHBondContact O-CB 3.18Å; W683-E687 PolarHBondContact O-N 2.98Å; N684-E687 PolarHBondContact O-N 3.47Å; A685-E687 VanDerWaalsContact C-N 3.3Å; A685-E687 PolarHBondContact O-N 3.24Å; E687-C690 PolarHBondContact O-N 3.3Å; E687-H691 WeakPolarHBondContact O-CB 3.32Å; E687-H691 PolarHBondContact O-CD2 2.87Å; E687-H691 PolarHBondContact O-N 2.88Å
688T95.5Very high95Very high92 Ų92107.2 Ų107.256%0.56452%0.523SS*.Hα-helixtrans-67.4-34.9176.1580000113.5N684 A685 H691 S692N684-T688 WeakPolarHBondContact O-CG2 3.4Å; N684-T688 PolarHBondContact O-N 3.4Å; N684-T688 PolarHBondContact O-OG1 2.97Å; A685-T688 PolarHBondContact O-N 3.49Å; A685-T688 VanDerWaalsContact O-N 3.13Å; A685-T688 PolarHBondContact O-OG1 3.31Å; T688-H691 PolarHBondContact O-N 2.7Å; T688-S692 PolarHBondContact O-N 3.21Å
689E95.8Very high95Very high111 Ų111107.1 Ų107.152%0.51953%0.528SS..Hα-helixtrans-65.3-47.7171.6-175.4175.5-16900111.3A685 L686 H691 S692 L693A685-E689 PolarHBondContact O-N 3Å; L686-E689 PolarHBondContact O-N 2.89Å; E689-H691 VanDerWaalsContact C-N 3.28Å; E689-H691 PolarHBondContact O-N 3.05Å; E689-S692 CarbonylContact O-C 3.55Å; E689-S692 WeakPolarHBondContact O-CA 3.43Å; E689-S692 VanDerWaalsContact O-CB 3.28Å; E689-S692 WeakPolarHBondContact O-CB 3.46Å; E689-S692 PolarHBondContact O-N 3.43Å; E689-L693 HydrophobicContact CG-CD1 4.1Å; E689-L693 HydrophobicContact CG-CG 4.41Å; E689-L693 PolarHBondContact O-N 2.83Å
690C93.5Very high95Very high78 Ų78107.2 Ų107.253%0.52753%0.528SS..Hα-helixtrans-58-40174.6-174.70000111.7L686 E687 S692 K694L686-C690 VanDerWaalsContact O-CB 3.26Å; L686-C690 WeakPolarHBondContact O-CB 3.47Å; L686-C690 PolarHBondContact O-N 3.06Å; E687-C690 PolarHBondContact O-N 3.3Å; C690-S692 VanDerWaalsContact C-N 3.3Å; C690-S692 PolarHBondContact O-N 2.92Å; C690-K694 WeakPolarHBondContact O-CB 3.25Å; C690-K694 PolarHBondContact O-N 2.96Å
691H94.5Very high94.9Very high106 Ų106101.8 Ų101.849%0.49152%0.517SS..Hα-helixtrans-68.3-24.5171.7-82.2-63000113.8E687 T688 E689 R695E687-H691 WeakPolarHBondContact O-CB 3.32Å; E687-H691 PolarHBondContact O-CD2 2.87Å; E687-H691 PolarHBondContact O-N 2.88Å; T688-H691 PolarHBondContact O-N 2.7Å; E689-H691 VanDerWaalsContact C-N 3.28Å; E689-H691 PolarHBondContact O-N 3.05Å; H691-R695 WeakPolarHBondContact O-CG 3.18Å; H691-R695 PolarHBondContact O-N 3.09Å; H691-R695 PolarHBondContact O-NE 3.25Å
692S95.3Very high94.8Very high55 Ų5599.2 Ų99.239%0.38552%0.515SS..Hα-helixtrans-75.1-54.5172-155.10000111.3T688 E689 C690 K694 R695 E696T688-S692 PolarHBondContact O-N 3.21Å; E689-S692 CarbonylContact O-C 3.55Å; E689-S692 WeakPolarHBondContact O-CA 3.43Å; E689-S692 VanDerWaalsContact O-CB 3.28Å; E689-S692 WeakPolarHBondContact O-CB 3.46Å; E689-S692 PolarHBondContact O-N 3.43Å; C690-S692 VanDerWaalsContact C-N 3.3Å; C690-S692 PolarHBondContact O-N 2.92Å; S692-K694 PolarHBondContact O-N 3.32Å; S692-R695 WeakPolarHBondContact O-CA 3.06Å; S692-R695 WeakPolarHBondContact O-CB 3.44Å; S692-R695 PolarHBondContact O-N 2.87Å; S692-E696 PolarHBondContact O-N 3.22Å
693L94.3Very high94.8Very high96 Ų9697 Ų9750%0.50351%0.505SS..Hα-helixtrans-56.6-37.5177.2-67.3171.1000111.9E689 R695 E696 N697E689-L693 HydrophobicContact CG-CD1 4.1Å; E689-L693 HydrophobicContact CG-CG 4.41Å; E689-L693 PolarHBondContact O-N 2.83Å; L693-R695 PolarHBondContact O-N 2.96Å; L693-E696 PolarHBondContact O-N 3.01Å; L693-N697 VanDerWaalsContact O-CB 3.23Å; L693-N697 WeakPolarHBondContact O-CB 3.49Å; L693-N697 PolarHBondContact O-N 3.28Å
694K94.8Very high94.7Very high147 Ų14795 Ų9564%0.63950%0.504SS*.Hα-helixtrans-67.1-32.4175-171170-176.3173.70113.4C690 S692 V698C690-K694 WeakPolarHBondContact O-CB 3.25Å; C690-K694 PolarHBondContact O-N 2.96Å; S692-K694 PolarHBondContact O-N 3.32Å; K694-V698 WeakPolarHBondContact O-CG2 3.22Å; K694-V698 PolarHBondContact O-N 3.3Å
695R95.3Very high94.7Very high158 Ų15896.7 Ų96.760%0.59651%0.51SS*.Hα-helixtrans-73-44172.8-76.3174.8-72.8155.8-0.7111.1H691 S692 L693 V698 L699H691-R695 WeakPolarHBondContact O-CG 3.18Å; H691-R695 PolarHBondContact O-N 3.09Å; H691-R695 PolarHBondContact O-NE 3.25Å; S692-R695 WeakPolarHBondContact O-CA 3.06Å; S692-R695 WeakPolarHBondContact O-CB 3.44Å; S692-R695 PolarHBondContact O-N 2.87Å; L693-R695 PolarHBondContact O-N 2.96Å; R695-V698 PolarHBondContact O-N 3.36Å; R695-L699 WeakPolarHBondContact O-CG 3.42Å; R695-L699 PolarHBondContact O-N 2.92Å
696E94.6Very high94.7Very high105 Ų10599.3 Ų99.349%0.49151%0.508SS..Hα-helixtrans-62-43.2176.9-174.3173.2-169.800111.9S692 L693 V698 L699 L700S692-E696 PolarHBondContact O-N 3.22Å; L693-E696 PolarHBondContact O-N 3.01Å; E696-V698 VanDerWaalsContact C-N 3.32Å; E696-V698 PolarHBondContact O-N 2.86Å; E696-L699 WeakPolarHBondContact O-CB 3.22Å; E696-L699 PolarHBondContact O-N 2.98Å; E696-L699 VanDerWaalsContact O-N 3.1Å; E696-L700 HydrophobicContact CG-CD1 4Å; E696-L700 HydrophobicContact CG-CG 4.35Å; E696-L700 WeakPolarHBondContact O-CB 3.44Å; E696-L700 WeakPolarHBondContact O-CG 3.34Å; E696-L700 PolarHBondContact O-N 3.44Å
697N94.1Very high94.6Very high102 Ų10298.5 Ų98.555%0.54550%0.501SS..Hα-helixtrans-58.7-41.8175.3-170.9-91000112L693 L700 S701L693-N697 VanDerWaalsContact O-CB 3.23Å; L693-N697 WeakPolarHBondContact O-CB 3.49Å; L693-N697 PolarHBondContact O-N 3.28Å; N697-L700 PolarHBondContact O-N 2.93Å; N697-S701 WeakPolarHBondContact O-CB 3.38Å; N697-S701 PolarHBondContact O-N 3.28Å; N697-S701 PolarHBondContact O-OG 2.88Å
698V95.5Very high94.5Very high86 Ų8699.9 Ų99.952%0.52151%0.508SS..Hα-helixtrans-64.7-39174.2168.80000112.2K694 R695 E696 S702K694-V698 WeakPolarHBondContact O-CG2 3.22Å; K694-V698 PolarHBondContact O-N 3.3Å; R695-V698 PolarHBondContact O-N 3.36Å; E696-V698 VanDerWaalsContact C-N 3.32Å; E696-V698 PolarHBondContact O-N 2.86Å; V698-S702 WeakPolarHBondContact O-CB 3.49Å; V698-S702 PolarHBondContact O-N 2.83Å; V698-S702 PolarHBondContact O-OG 3.3Å
699L95.4Very high94.4Very high124 Ų124100.8 Ų100.865%0.64950%0.504SS*.Hα-helixtrans-65.9-46.5175-69171.4000111.4R695 E696 S702 E703R695-L699 WeakPolarHBondContact O-CG 3.42Å; R695-L699 PolarHBondContact O-N 2.92Å; E696-L699 WeakPolarHBondContact O-CB 3.22Å; E696-L699 PolarHBondContact O-N 2.98Å; E696-L699 VanDerWaalsContact O-N 3.1Å; L699-S702 WeakPolarHBondContact O-CB 3.47Å; L699-S702 PolarHBondContact O-N 3.12Å; L699-S702 VanDerWaalsContact O-N 3.14Å; L699-E703 PolarHBondContact O-N 3.49Å
700L94.4Very high94.3Very high107 Ų107100.1 Ų100.156%0.5650%0.501SS*.Hα-helixtrans-63.2-40.5177-70.3171.8000112.2E696 N697 S702 E703 L704E696-L700 HydrophobicContact CG-CD1 4Å; E696-L700 HydrophobicContact CG-CG 4.35Å; E696-L700 WeakPolarHBondContact O-CB 3.44Å; E696-L700 WeakPolarHBondContact O-CG 3.34Å; E696-L700 PolarHBondContact O-N 3.44Å; N697-L700 PolarHBondContact O-N 2.93Å; L700-S702 VanDerWaalsContact C-N 3.31Å; L700-S702 PolarHBondContact O-N 3.5Å; L700-E703 PolarHBondContact O-N 3.22Å; L700-L704 VanDerWaalsContact O-CB 3.32Å; L700-L704 WeakPolarHBondContact O-CB 3.38Å; L700-L704 PolarHBondContact O-N 3.41Å
701S93.8Very high94.3Very high63 Ų63101.3 Ų101.344%0.44150%0.502SS..Hα-helixtrans-63.9-36172.4-63.30000112.4N697 Q705N697-S701 WeakPolarHBondContact O-CB 3.38Å; N697-S701 PolarHBondContact O-N 3.28Å; N697-S701 PolarHBondContact O-OG 2.88Å; S701-Q705 WeakPolarHBondContact O-CB 3.28Å; S701-Q705 PolarHBondContact O-N 3.14Å
702S94.4Very high94.2Very high68 Ų68101.6 Ų101.648%0.47650%0.503SS..Hα-helixtrans-69.9-40.7177.2-57.50000111.9V698 L699 L700 Q705 R706V698-S702 WeakPolarHBondContact O-CB 3.49Å; V698-S702 PolarHBondContact O-N 2.83Å; V698-S702 PolarHBondContact O-OG 3.3Å; L699-S702 WeakPolarHBondContact O-CB 3.47Å; L699-S702 PolarHBondContact O-N 3.12Å; L699-S702 VanDerWaalsContact O-N 3.14Å; L700-S702 VanDerWaalsContact C-N 3.31Å; L700-S702 PolarHBondContact O-N 3.5Å; S702-Q705 PolarHBondContact O-N 3.46Å; S702-R706 PolarHBondContact O-N 3.24Å
703E94.7Very high94.2Very high77 Ų77103.7 Ų103.736%0.3651%0.51SS..Hα-helixtrans-69-40.2174.9176.656.1-16100111.6L699 L700 Q705 R706 Q707L699-E703 PolarHBondContact O-N 3.49Å; L700-E703 PolarHBondContact O-N 3.22Å; E703-Q705 VanDerWaalsContact C-N 3.34Å; E703-Q705 PolarHBondContact O-N 2.81Å; E703-R706 WeakPolarHBondContact O-CA 3.43Å; E703-R706 VanDerWaalsContact O-CB 3.28Å; E703-R706 WeakPolarHBondContact O-CB 3.32Å; E703-R706 PolarHBondContact O-N 2.9Å; E703-R706 IonicContact OE1-CZ 2.73Å; E703-R706 IonicContact OE1-NE 2.99Å; E703-R706 PolarHBondContact OE1-NE 3.2Å; E703-R706 IonicContact OE1-NH2 3.89Å; E703-R706 PolarHBondContact OE1-NH2 3.11Å; E703-R706 IonicContact OE2-CZ 2.75Å; E703-R706 IonicContact OE2-NE 2.74Å; E703-R706 PolarHBondContact OE2-NE 2.83Å; E703-R706 IonicContact OE2-NH2 3.46Å; E703-Q707 HydrophobicContact CG-CG 4.48Å; E703-Q707 VanDerWaalsContact O-CG 3.29Å; E703-Q707 WeakPolarHBondContact O-CG 3.48Å; E703-Q707 PolarHBondContact O-N 3.43Å; E703-Q707 PolarHBondContact OE1-NE2 3.45Å
704L93.4Very high93.9Very high104 Ų104102.2 Ų102.255%0.54551%0.507SS..Hα-helixtrans-57.1-48.2172.1-178.764.6000110.8L700 R706 Q707 E708L700-L704 VanDerWaalsContact O-CB 3.32Å; L700-L704 WeakPolarHBondContact O-CB 3.38Å; L700-L704 PolarHBondContact O-N 3.41Å; L704-R706 PolarHBondContact O-N 2.94Å; L704-Q707 PolarHBondContact O-N 3.5Å; L704-Q707 VanDerWaalsContact O-N 3.17Å; L704-E708 WeakPolarHBondContact O-CG 3.18Å; L704-E708 PolarHBondContact O-N 3.27Å
705Q93.6Very high93.7Very high104 Ų104100 Ų10049%0.48650%0.499SS..Hα-helixtrans-63.9-25.5176.3-155.9-159.347.300112.9S701 S702 E703 K709S701-Q705 WeakPolarHBondContact O-CB 3.28Å; S701-Q705 PolarHBondContact O-N 3.14Å; S702-Q705 PolarHBondContact O-N 3.46Å; E703-Q705 VanDerWaalsContact C-N 3.34Å; E703-Q705 PolarHBondContact O-N 2.81Å; Q705-K709 VanDerWaalsContact CD-NZ 3.32Å; Q705-K709 VanDerWaalsContact O-CD 3.29Å; Q705-K709 WeakPolarHBondContact O-CD 3.35Å; Q705-K709 VanDerWaalsContact O-CG 3.24Å; Q705-K709 WeakPolarHBondContact O-CG 3.48Å; Q705-K709 PolarHBondContact O-N 2.87Å
706R95.4Very high93.6Very high108 Ų10897.5 Ų97.541%0.40849%0.493SS..Hα-helixtrans-72.8-46.7173.3-162.9-165.966.766.57.9110.9S702 E703 L704 K709 E710S702-R706 PolarHBondContact O-N 3.24Å; E703-R706 WeakPolarHBondContact O-CA 3.43Å; E703-R706 VanDerWaalsContact O-CB 3.28Å; E703-R706 WeakPolarHBondContact O-CB 3.32Å; E703-R706 PolarHBondContact O-N 2.9Å; E703-R706 IonicContact OE1-CZ 2.73Å; E703-R706 IonicContact OE1-NE 2.99Å; E703-R706 PolarHBondContact OE1-NE 3.2Å; E703-R706 IonicContact OE1-NH2 3.89Å; E703-R706 PolarHBondContact OE1-NH2 3.11Å; E703-R706 IonicContact OE2-CZ 2.75Å; E703-R706 IonicContact OE2-NE 2.74Å; E703-R706 PolarHBondContact OE2-NE 2.83Å; E703-R706 IonicContact OE2-NH2 3.46Å; L704-R706 PolarHBondContact O-N 2.94Å; R706-K709 PolarHBondContact O-N 2.87Å; R706-E710 IonicContact CZ-OE2 2.6Å; R706-E710 IonicContact NH1-OE2 2.92Å; R706-E710 PolarHBondContact NH1-OE2 2.93Å; R706-E710 IonicContact NH2-OE2 3.64Å; R706-E710 WeakPolarHBondContact O-CB 3.34Å; R706-E710 PolarHBondContact O-N 3Å
707Q93.1Very high93.4Very high93 Ų9398 Ų9844%0.43550%0.495SS..Hα-helixtrans-62.6-41.2176.6-65.4-78.7-8.600111.7E703 L704 K709 E710 L711E703-Q707 HydrophobicContact CG-CG 4.48Å; E703-Q707 VanDerWaalsContact O-CG 3.29Å; E703-Q707 WeakPolarHBondContact O-CG 3.48Å; E703-Q707 PolarHBondContact O-N 3.43Å; E703-Q707 PolarHBondContact OE1-NE2 3.45Å; L704-Q707 PolarHBondContact O-N 3.5Å; L704-Q707 VanDerWaalsContact O-N 3.17Å; Q707-K709 PolarHBondContact O-N 3.46Å; Q707-E710 PolarHBondContact O-N 2.84Å; Q707-L711 VanDerWaalsContact O-CB 3.31Å; Q707-L711 WeakPolarHBondContact O-CB 3.21Å; Q707-L711 PolarHBondContact O-N 3.26Å
708E93.4Very high93.1Very high113 Ų11396.4 Ų96.453%0.52849%0.492SS..Hα-helixtrans-60-42.6174.3-74175.2160.300112.3L704 H712L704-E708 WeakPolarHBondContact O-CG 3.18Å; L704-E708 PolarHBondContact O-N 3.27Å; E708-H712 WeakPolarHBondContact O-CB 3.25Å; E708-H712 PolarHBondContact O-N 3.45Å
709K94.1Very high92.9Very high111 Ų11198.3 Ų98.348%0.48350%0.498SS..Hα-helixtrans-67.3-40.5175.7-72.1165-173161.70111.9Q705 R706 Q707 H712 N713Q705-K709 VanDerWaalsContact CD-NZ 3.32Å; Q705-K709 VanDerWaalsContact O-CD 3.29Å; Q705-K709 WeakPolarHBondContact O-CD 3.35Å; Q705-K709 VanDerWaalsContact O-CG 3.24Å; Q705-K709 WeakPolarHBondContact O-CG 3.48Å; Q705-K709 PolarHBondContact O-N 2.87Å; R706-K709 PolarHBondContact O-N 2.87Å; Q707-K709 PolarHBondContact O-N 3.46Å; K709-H712 PolarHBondContact O-N 2.79Å; K709-N713 WeakPolarHBondContact O-CB 3.49Å; K709-N713 PolarHBondContact O-N 2.97Å; K709-N713 PolarHBondContact O-ND2 3Å
710E93.6Very high92.7Very high97 Ų9796.8 Ų96.845%0.45349%0.488SS..Hα-helixtrans-65.2-45.8177.5-171.4161-155.700111.1R706 Q707 H712 N713 S714R706-E710 IonicContact CZ-OE2 2.6Å; R706-E710 IonicContact NH1-OE2 2.92Å; R706-E710 PolarHBondContact NH1-OE2 2.93Å; R706-E710 IonicContact NH2-OE2 3.64Å; R706-E710 WeakPolarHBondContact O-CB 3.34Å; R706-E710 PolarHBondContact O-N 3Å; Q707-E710 PolarHBondContact O-N 2.84Å; E710-H712 PolarHBondContact O-N 3.46Å; E710-N713 PolarHBondContact O-N 3.48Å; E710-S714 PolarHBondContact O-N 3.11Å; E710-S714 PolarHBondContact O-OG 3.36Å; E710-S714 VanDerWaalsContact O-OG 3.11Å
711L93.3Very high92.5Very high103 Ų10396.3 Ų96.354%0.53949%0.485SS..Hα-helixtrans-59.1-44.8172.1179.162.6000112.1Q707 S714 Q715Q707-L711 VanDerWaalsContact O-CB 3.31Å; Q707-L711 WeakPolarHBondContact O-CB 3.21Å; Q707-L711 PolarHBondContact O-N 3.26Å; L711-S714 PolarHBondContact O-N 3.26Å; L711-Q715 HydrophobicContact CD1-CG 4.43Å; L711-Q715 WeakPolarHBondContact O-CB 3.46Å; L711-Q715 VanDerWaalsContact O-CG 3.31Å; L711-Q715 WeakPolarHBondContact O-CG 3.27Å; L711-Q715 PolarHBondContact O-N 2.89Å
712H92.7Very high92.3Very high113 Ų11397.2 Ų97.252%0.52349%0.488SS..Hα-helixtrans-63.1-41.1177.4-177.467.6000112.2E708 K709 E710 Q715 K716E708-H712 WeakPolarHBondContact O-CB 3.25Å; E708-H712 PolarHBondContact O-N 3.45Å; K709-H712 PolarHBondContact O-N 2.79Å; E710-H712 PolarHBondContact O-N 3.46Å; H712-Q715 PolarHBondContact O-N 3.43Å; H712-K716 WeakPolarHBondContact O-CB 3.13Å; H712-K716 PolarHBondContact O-N 2.92Å
713N93.4Very high92.1Very high99 Ų9997 Ų9753%0.52949%0.487SS..Hα-helixtrans-62.7-44173.9-71.4-22.5000111.5K709 E710 K716 Q717K709-N713 WeakPolarHBondContact O-CB 3.49Å; K709-N713 PolarHBondContact O-N 2.97Å; K709-N713 PolarHBondContact O-ND2 3Å; E710-N713 PolarHBondContact O-N 3.48Å; N713-K716 PolarHBondContact O-N 3.32Å; N713-Q717 WeakPolarHBondContact O-CB 3.48Å; N713-Q717 PolarHBondContact O-N 3.3Å
714S88.6Confident91.9Very high64 Ų6497.3 Ų97.345%0.44849%0.491SS..Hα-helixtrans-64.9-38175.8-58.50000112.7E710 L711 Q717 S718E710-S714 PolarHBondContact O-N 3.11Å; E710-S714 PolarHBondContact O-OG 3.36Å; E710-S714 VanDerWaalsContact O-OG 3.11Å; L711-S714 PolarHBondContact O-N 3.26Å; S714-Q717 PolarHBondContact O-N 2.87Å; S714-S718 WeakPolarHBondContact O-CB 3.3Å; S714-S718 PolarHBondContact O-N 3.34Å
715Q91.1Very high91.7Very high101 Ų10197.9 Ų97.947%0.47249%0.494SS..Hα-helixtrans-63.2-44.7172.5-75.2173.6-2.900111.3L711 H712 S718 L719L711-Q715 HydrophobicContact CD1-CG 4.43Å; L711-Q715 WeakPolarHBondContact O-CB 3.46Å; L711-Q715 VanDerWaalsContact O-CG 3.31Å; L711-Q715 WeakPolarHBondContact O-CG 3.27Å; L711-Q715 PolarHBondContact O-N 2.89Å; H712-Q715 PolarHBondContact O-N 3.43Å; Q715-S718 PolarHBondContact O-N 3.02Å; Q715-L719 WeakPolarHBondContact O-CG 3.4Å; Q715-L719 PolarHBondContact O-N 3.01Å
716K92.8Very high91.5Very high105 Ų10596 Ų9646%0.45749%0.492SS..Hα-helixtrans-60.4-46.7175.5-177.1176.2178.2-70.90111.6H712 N713 S718 L719 E720H712-K716 WeakPolarHBondContact O-CB 3.13Å; H712-K716 PolarHBondContact O-N 2.92Å; N713-K716 PolarHBondContact O-N 3.32Å; K716-S718 VanDerWaalsContact C-N 3.31Å; K716-S718 PolarHBondContact O-N 2.94Å; K716-L719 PolarHBondContact O-N 3.34Å; K716-E720 IonicContact NZ-OE1 3.83Å; K716-E720 PolarHBondContact NZ-OE1 2.9Å; K716-E720 IonicContact NZ-OE2 3.18Å; K716-E720 WeakPolarHBondContact O-CG 3.41Å; K716-E720 PolarHBondContact O-N 3.45Å
717Q91.1Very high91.3Very high117 Ų11795.7 Ų95.755%0.54750%0.498SS..Hα-helixtrans-62.7-37.2176-170.5-18011.300112N713 S714 E720 L721N713-Q717 WeakPolarHBondContact O-CB 3.48Å; N713-Q717 PolarHBondContact O-N 3.3Å; S714-Q717 PolarHBondContact O-N 2.87Å; Q717-E720 PolarHBondContact O-N 3.19Å; Q717-L721 HydrophobicContact CG-CD1 4.27Å; Q717-L721 WeakPolarHBondContact O-CB 3.47Å; Q717-L721 VanDerWaalsContact O-CG 3.3Å; Q717-L721 WeakPolarHBondContact O-CG 3.47Å; Q717-L721 PolarHBondContact O-N 2.99Å
718S88.3Confident91Very high67 Ų6796.7 Ų96.747%0.46951%0.505SS..Hα-helixtrans-66.6-37.4174.7-179.50000112.5S714 Q715 K716 T722S714-S718 WeakPolarHBondContact O-CB 3.3Å; S714-S718 PolarHBondContact O-N 3.34Å; Q715-S718 PolarHBondContact O-N 3.02Å; K716-S718 VanDerWaalsContact C-N 3.31Å; K716-S718 PolarHBondContact O-N 2.94Å; S718-T722 WeakPolarHBondContact O-CB 3.37Å; S718-T722 PolarHBondContact O-N 2.91Å; S718-T722 PolarHBondContact O-OG1 2.87Å
719L91.2Very high90.8Very high126 Ų12698 Ų9866%0.6651%0.511SS*.Hα-helixtrans-67-41.3173.1-71.1168.4000112Q715 K716 T722 S723Q715-L719 WeakPolarHBondContact O-CG 3.4Å; Q715-L719 PolarHBondContact O-N 3.01Å; K716-L719 PolarHBondContact O-N 3.34Å; L719-T722 PolarHBondContact O-N 3.21Å; L719-S723 PolarHBondContact O-N 3.43Å
720E91.1Very high90.5Very high93 Ų9399.3 Ų99.344%0.43552%0.521SS..Hα-helixtrans-60.7-50.7174.2-73.2168.2172.400111K716 Q717 T722 S723 D724K716-E720 IonicContact NZ-OE1 3.83Å; K716-E720 PolarHBondContact NZ-OE1 2.9Å; K716-E720 IonicContact NZ-OE2 3.18Å; K716-E720 WeakPolarHBondContact O-CG 3.41Å; K716-E720 PolarHBondContact O-N 3.45Å; Q717-E720 PolarHBondContact O-N 3.19Å; E720-T722 VanDerWaalsContact C-N 3.25Å; E720-T722 PolarHBondContact O-N 2.96Å; E720-S723 WeakPolarHBondContact O-CA 3.37Å; E720-S723 WeakPolarHBondContact O-CB 3.24Å; E720-S723 PolarHBondContact O-N 2.92Å; E720-D724 PolarHBondContact O-N 3.08Å
721L89.1Confident90.1Very high96 Ų9697.7 Ų97.750%0.50352%0.521SS..Hα-helixtrans-61.2-31174.9-71.4169.3000113.3Q717 L725Q717-L721 HydrophobicContact CG-CD1 4.27Å; Q717-L721 WeakPolarHBondContact O-CB 3.47Å; Q717-L721 VanDerWaalsContact O-CG 3.3Å; Q717-L721 WeakPolarHBondContact O-CG 3.47Å; Q717-L721 PolarHBondContact O-N 2.99Å; L721-L725 WeakPolarHBondContact O-CB 3.48Å; L721-L725 WeakPolarHBondContact O-CG 3.26Å; L721-L725 PolarHBondContact O-N 3.37Å
722T90.3Very high89.9Confident82 Ų82100.5 Ų100.550%0.50352%0.524SS..Hα-helixtrans-72.2-36.4174.7-57.70000111.4S718 L719 E720 S726S718-T722 WeakPolarHBondContact O-CB 3.37Å; S718-T722 PolarHBondContact O-N 2.91Å; S718-T722 PolarHBondContact O-OG1 2.87Å; L719-T722 PolarHBondContact O-N 3.21Å; E720-T722 VanDerWaalsContact C-N 3.25Å; E720-T722 PolarHBondContact O-N 2.96Å; T722-S726 PolarHBondContact O-N 2.88Å
723S89.3Confident89.7Confident64 Ų64101.6 Ų101.645%0.44853%0.527SS..Hα-helixtrans-64.3-46.7171.2-176.30000111.2L719 E720 L725 S726 I727L719-S723 PolarHBondContact O-N 3.43Å; E720-S723 WeakPolarHBondContact O-CA 3.37Å; E720-S723 WeakPolarHBondContact O-CB 3.24Å; E720-S723 PolarHBondContact O-N 2.92Å; S723-L725 PolarHBondContact O-N 3.25Å; S723-S726 WeakPolarHBondContact O-CB 3.49Å; S723-S726 PolarHBondContact O-N 2.94Å; S723-S726 VanDerWaalsContact O-N 3.1Å; S723-I727 WeakPolarHBondContact O-CG1 3.49Å; S723-I727 PolarHBondContact O-N 3.32Å
724D91.1Very high89.3Confident84 Ų84101.5 Ų101.545%0.44952%0.523SS..Hα-helixtrans-62.2-41.3177.2-70.7-18000111.9E720 S726 I727 L728E720-D724 PolarHBondContact O-N 3.08Å; D724-S726 VanDerWaalsContact C-N 3.32Å; D724-S726 PolarHBondContact O-N 3.4Å; D724-I727 PolarHBondContact O-N 3.34Å; D724-L728 WeakPolarHBondContact O-CB 3.37Å; D724-L728 VanDerWaalsContact O-CG 3.29Å; D724-L728 WeakPolarHBondContact O-CG 3.24Å; D724-L728 PolarHBondContact O-N 2.98Å
725L89.6Confident89.1Confident115 Ų115103.1 Ų103.160%0.60253%0.527SS*.Hα-helixtrans-59.4-40.8171.6-84.6167.9000112.3L721 S723 L728 Q729L721-L725 WeakPolarHBondContact O-CB 3.48Å; L721-L725 WeakPolarHBondContact O-CG 3.26Å; L721-L725 PolarHBondContact O-N 3.37Å; S723-L725 PolarHBondContact O-N 3.25Å; L725-L728 PolarHBondContact O-N 2.97Å; L725-Q729 VanDerWaalsContact O-CB 3.23Å; L725-Q729 WeakPolarHBondContact O-CB 3.3Å; L725-Q729 PolarHBondContact O-N 3.2Å
726S90Very high88.7Confident64 Ų64102.9 Ų102.945%0.44853%0.525SS..Hα-helixtrans-64.1-43.9175.9-171.30000111.9T722 S723 D724 Q729 M730T722-S726 PolarHBondContact O-N 2.88Å; S723-S726 WeakPolarHBondContact O-CB 3.49Å; S723-S726 PolarHBondContact O-N 2.94Å; S723-S726 VanDerWaalsContact O-N 3.1Å; D724-S726 VanDerWaalsContact C-N 3.32Å; D724-S726 PolarHBondContact O-N 3.4Å; S726-Q729 PolarHBondContact O-N 2.9Å; S726-M730 WeakPolarHBondContact O-CG 3.35Å; S726-M730 PolarHBondContact O-N 2.89Å
727I90.9Very high88.3Confident103 Ų103102.2 Ų102.253%0.52853%0.527SS..Hα-helixtrans-62.4-45.7175.9-66.7164.4000110.7S723 D724 Q729 M730 S731S723-I727 WeakPolarHBondContact O-CG1 3.49Å; S723-I727 PolarHBondContact O-N 3.32Å; D724-I727 PolarHBondContact O-N 3.34Å; I727-Q729 VanDerWaalsContact C-N 3.33Å; I727-Q729 PolarHBondContact O-N 2.96Å; I727-M730 PolarHBondContact O-N 3.1Å; I727-S731 WeakPolarHBondContact O-CB 3.4Å; I727-S731 PolarHBondContact O-N 2.92Å
728L85.9Confident88Confident113 Ų113100.9 Ų100.959%0.59252%0.521SS*.Hα-helixtrans-64.2-36.4175.7-71.7170.8000112.1D724 L725 S731 R732D724-L728 WeakPolarHBondContact O-CB 3.37Å; D724-L728 VanDerWaalsContact O-CG 3.29Å; D724-L728 WeakPolarHBondContact O-CG 3.24Å; D724-L728 PolarHBondContact O-N 2.98Å; L725-L728 PolarHBondContact O-N 2.97Å; L728-S731 PolarHBondContact O-N 2.87Å; L728-R732 WeakPolarHBondContact O-CB 3.32Å; L728-R732 PolarHBondContact O-N 3.19Å
729Q88.9Confident87.7Confident140 Ų140102.3 Ų102.365%0.65453%0.526SS*.Hα-helixtrans-69.4-36.9176.1-173.9172.9-2.600112.1L725 S726 I727 K733L725-Q729 VanDerWaalsContact O-CB 3.23Å; L725-Q729 WeakPolarHBondContact O-CB 3.3Å; L725-Q729 PolarHBondContact O-N 3.2Å; S726-Q729 PolarHBondContact O-N 2.9Å; I727-Q729 VanDerWaalsContact C-N 3.33Å; I727-Q729 PolarHBondContact O-N 2.96Å; Q729-K733 WeakPolarHBondContact O-CB 3.49Å; Q729-K733 PolarHBondContact O-N 2.96Å
730M88Confident87.2Confident140 Ų14098.1 Ų98.169%0.6951%0.514SS*.Hα-helixtrans-66.7-45.3170.6-72.4-152.269.900111.9S726 I727 R732 K733 E734S726-M730 WeakPolarHBondContact O-CG 3.35Å; S726-M730 PolarHBondContact O-N 2.89Å; I727-M730 PolarHBondContact O-N 3.1Å; M730-R732 PolarHBondContact O-N 2.88Å; M730-K733 PolarHBondContact O-N 3.06Å; M730-K733 VanDerWaalsContact O-N 3.14Å; M730-E734 PolarHBondContact O-N 2.76Å
731S85.9Confident86.6Confident63 Ų6396.8 Ų96.844%0.44152%0.515SS..Hα-helixtrans-59.5-43.4175.9-177.50000112.1I727 L728 K733 E734 L735I727-S731 WeakPolarHBondContact O-CB 3.4Å; I727-S731 PolarHBondContact O-N 2.92Å; L728-S731 PolarHBondContact O-N 2.87Å; S731-K733 PolarHBondContact O-N 2.99Å; S731-E734 PolarHBondContact O-N 3.34Å; S731-L735 WeakPolarHBondContact O-CG 3.5Å; S731-L735 PolarHBondContact O-N 3.41Å
732R88.6Confident86Confident162 Ų16297.9 Ų97.961%0.61152%0.52SS*.Hα-helixtrans-58-46.7171.8175.7-175.5160.1-169.9-9.4111.7L728 M730 E734 L735 E736L728-R732 WeakPolarHBondContact O-CB 3.32Å; L728-R732 PolarHBondContact O-N 3.19Å; M730-R732 PolarHBondContact O-N 2.88Å; R732-E734 VanDerWaalsContact C-N 3.28Å; R732-E734 PolarHBondContact O-N 2.94Å; R732-L735 PolarHBondContact O-N 3.37Å; R732-E736 HydrophobicContact CG-CG 4.49Å; R732-E736 IonicContact CZ-OE1 2.68Å; R732-E736 IonicContact NE-OE1 2.78Å; R732-E736 PolarHBondContact NE-OE1 3.45Å; R732-E736 IonicContact NH2-OE1 2.74Å; R732-E736 PolarHBondContact NH2-OE1 3.44Å; R732-E736 WeakPolarHBondContact O-CG 3.44Å; R732-E736 PolarHBondContact O-N 2.95Å
733K88.1Confident85.5Confident136 Ų136101.1 Ų101.159%0.59153%0.527SS*.Hα-helixtrans-64.3-35.8-179.4-170.8176.9-179.3-1780111.8Q729 M730 S731 E736 N737Q729-K733 WeakPolarHBondContact O-CB 3.49Å; Q729-K733 PolarHBondContact O-N 2.96Å; M730-K733 PolarHBondContact O-N 3.06Å; M730-K733 VanDerWaalsContact O-N 3.14Å; S731-K733 PolarHBondContact O-N 2.99Å; K733-E736 PolarHBondContact O-N 2.88Å; K733-N737 PolarHBondContact O-N 2.85Å; K733-N737 PolarHBondContact O-ND2 3.13Å; K733-N737 PolarHBondContact O-OD1 3.46Å
734E86.5Confident85Confident96 Ų96104.1 Ų104.145%0.44954%0.535SS..Hα-helixtrans-67.4-41.7174.4-174.751.2-148.300111.8M730 S731 R732 E736 N737 Q738M730-E734 PolarHBondContact O-N 2.76Å; S731-E734 PolarHBondContact O-N 3.34Å; R732-E734 VanDerWaalsContact C-N 3.28Å; R732-E734 PolarHBondContact O-N 2.94Å; E734-E736 PolarHBondContact O-N 3.05Å; E734-N737 WeakPolarHBondContact O-CB 3.34Å; E734-N737 PolarHBondContact O-N 3.13Å; E734-N737 PolarHBondContact OE2-ND2 2.86Å; E734-Q738 WeakPolarHBondContact O-CG 3.41Å; E734-Q738 PolarHBondContact O-N 3.41Å; E734-Q738 PolarHBondContact OE1-NE2 2.72Å
735L82.6Confident84.4Confident98 Ų98104.2 Ų104.251%0.51353%0.532SS..Hα-helixtrans-63.7-37.8171.2-72166.9000112.6S731 R732 Q738 V739S731-L735 WeakPolarHBondContact O-CG 3.5Å; S731-L735 PolarHBondContact O-N 3.41Å; R732-L735 PolarHBondContact O-N 3.37Å; L735-Q738 PolarHBondContact O-N 2.99Å; L735-V739 WeakPolarHBondContact O-CB 3.25Å; L735-V739 WeakPolarHBondContact O-CG2 3.49Å; L735-V739 PolarHBondContact O-N 3.03Å
736E83.3Confident83.8Confident96 Ų96104.9 Ų104.945%0.44953%0.532SS..Hα-helixtrans-62.7-40.1173.5-75.4173.6171.900111.7R732 K733 E734 G740R732-E736 HydrophobicContact CG-CG 4.49Å; R732-E736 IonicContact CZ-OE1 2.68Å; R732-E736 IonicContact NE-OE1 2.78Å; R732-E736 PolarHBondContact NE-OE1 3.45Å; R732-E736 IonicContact NH2-OE1 2.74Å; R732-E736 PolarHBondContact NH2-OE1 3.44Å; R732-E736 WeakPolarHBondContact O-CG 3.44Å; R732-E736 PolarHBondContact O-N 2.95Å; K733-E736 PolarHBondContact O-N 2.88Å; E734-E736 PolarHBondContact O-N 3.05Å; E736-G740 PolarHBondContact O-N 3.02Å
737N85.6Confident83.4Confident91 Ų91107.3 Ų107.349%0.48754%0.539SS..Hα-helixtrans-61.8-45.1172.5-64.3-28000111.7K733 E734 G740 S741K733-N737 PolarHBondContact O-N 2.85Å; K733-N737 PolarHBondContact O-ND2 3.13Å; K733-N737 PolarHBondContact O-OD1 3.46Å; E734-N737 WeakPolarHBondContact O-CB 3.34Å; E734-N737 PolarHBondContact O-N 3.13Å; E734-N737 PolarHBondContact OE2-ND2 2.86Å; N737-G740 WeakPolarHBondContact O-CA 3.43Å; N737-G740 PolarHBondContact O-N 3.47Å; N737-G740 VanDerWaalsContact O-N 3.17Å; N737-S741 PolarHBondContact O-N 2.96Å
738Q84.6Confident82.8Confident89 Ų89108.3 Ų108.342%0.41654%0.537SS..Hα-helixtrans-68-38-179.2-69.5172.72000112.6E734 L735 G740 S741 L742E734-Q738 WeakPolarHBondContact O-CG 3.41Å; E734-Q738 PolarHBondContact O-N 3.41Å; E734-Q738 PolarHBondContact OE1-NE2 2.72Å; L735-Q738 PolarHBondContact O-N 2.99Å; Q738-G740 VanDerWaalsContact C-N 3.29Å; Q738-S741 PolarHBondContact O-N 2.84Å; Q738-S741 PolarHBondContact O-OG 3.28Å; Q738-S741 VanDerWaalsContact O-OG 3.12Å; Q738-L742 WeakPolarHBondContact O-CB 3.36Å; Q738-L742 WeakPolarHBondContact O-CG 3.4Å; Q738-L742 PolarHBondContact O-N 2.84Å
739V81.8Confident82.5Confident97 Ų97106.7 Ų106.759%0.58853%0.529SS*.Hα-helixtrans-65.5-35.3170.7170.80000110.9L735 K743L735-V739 WeakPolarHBondContact O-CB 3.25Å; L735-V739 WeakPolarHBondContact O-CG2 3.49Å; L735-V739 PolarHBondContact O-N 3.03Å; V739-K743 WeakPolarHBondContact O-CB 3.47Å; V739-K743 PolarHBondContact O-N 2.94Å
740G79Confident82Confident38 Ų38102.6 Ų102.639%0.39252%0.515SS..Hα-helixtrans-59-54171.700000112.7E736 N737 Q738 L742 K743 E744E736-G740 PolarHBondContact O-N 3.02Å; N737-G740 WeakPolarHBondContact O-CA 3.43Å; N737-G740 PolarHBondContact O-N 3.47Å; N737-G740 VanDerWaalsContact O-N 3.17Å; Q738-G740 VanDerWaalsContact C-N 3.29Å; G740-L742 PolarHBondContact O-N 2.89Å; G740-K743 WeakPolarHBondContact O-CB 3.26Å; G740-K743 PolarHBondContact O-N 3.32Å; G740-K743 VanDerWaalsContact O-N 3.16Å; G740-E744 PolarHBondContact O-N 3.05Å
741S79.9Confident81.5Confident65 Ų6598.3 Ų98.346%0.45550%0.502SS..Hα-helixtrans-67.2-36.5-178.864.60000113N737 Q738 K743 E744 Q745N737-S741 PolarHBondContact O-N 2.96Å; Q738-S741 PolarHBondContact O-N 2.84Å; Q738-S741 PolarHBondContact O-OG 3.28Å; Q738-S741 VanDerWaalsContact O-OG 3.12Å; S741-K743 VanDerWaalsContact C-N 3.31Å; S741-K743 PolarHBondContact O-N 3.32Å; S741-E744 PolarHBondContact O-N 2.91Å; S741-Q745 WeakPolarHBondContact O-CB 3.4Å; S741-Q745 PolarHBondContact O-N 2.88Å
742L76.8Confident81.2Confident119 Ų119100.2 Ų100.262%0.62351%0.507SS*.Hα-helixtrans-60.4-38.7170.7-83.1165000112.5Q738 G740 Q745 H746Q738-L742 WeakPolarHBondContact O-CB 3.36Å; Q738-L742 WeakPolarHBondContact O-CG 3.4Å; Q738-L742 PolarHBondContact O-N 2.84Å; G740-L742 PolarHBondContact O-N 2.89Å; L742-Q745 WeakPolarHBondContact O-CB 3.42Å; L742-Q745 PolarHBondContact O-N 3.24Å; L742-H746 PolarHBondContact O-N 3.38Å
743K79Confident80.5Confident150 Ų15098.4 Ų98.465%0.65251%0.509SS*.Hα-helixtrans-69.4-36.6176.7-167.4174.4-176.3178.30111.8V739 G740 S741 L747V739-K743 WeakPolarHBondContact O-CB 3.47Å; V739-K743 PolarHBondContact O-N 2.94Å; G740-K743 WeakPolarHBondContact O-CB 3.26Å; G740-K743 PolarHBondContact O-N 3.32Å; G740-K743 VanDerWaalsContact O-N 3.16Å; S741-K743 VanDerWaalsContact C-N 3.31Å; S741-K743 PolarHBondContact O-N 3.32Å; K743-L747 VanDerWaalsContact O-CG 3.32Å; K743-L747 WeakPolarHBondContact O-CG 3.44Å; K743-L747 PolarHBondContact O-N 2.96Å; K743-L747 VanDerWaalsContact O-N 3.07Å
744E78.6Confident79.9Confident128 Ų12899.5 Ų99.560%0.59851%0.514SS*.Hα-helixtrans-69.7-32.5173.3-123.2177.9-155.300113.1G740 S741 R748G740-E744 PolarHBondContact O-N 3.05Å; S741-E744 PolarHBondContact O-N 2.91Å; E744-R748 PolarHBondContact O-N 3.35Å; E744-R748 PolarHBondContact O-NE 2.91Å; E744-R748 VanDerWaalsContact O-NE 3.15Å
745Q77.8Confident79.4Confident86 Ų8699.1 Ų99.140%0.40252%0.518SS..Hα-helixtrans-64-55.2171.1-170.576.516.300110.1S741 L742 L747 R748 D749S741-Q745 WeakPolarHBondContact O-CB 3.4Å; S741-Q745 PolarHBondContact O-N 2.88Å; L742-Q745 WeakPolarHBondContact O-CB 3.42Å; L742-Q745 PolarHBondContact O-N 3.24Å; Q745-L747 PolarHBondContact O-N 2.97Å; Q745-R748 WeakPolarHBondContact O-CA 3.25Å; Q745-R748 WeakPolarHBondContact O-CB 3.28Å; Q745-R748 PolarHBondContact O-N 3.36Å; Q745-R748 VanDerWaalsContact OE1-CZ 3.26Å; Q745-D749 VanDerWaalsContact O-CG 3.23Å; Q745-D749 PolarHBondContact O-N 3.47Å
746H78.4Confident79.1Confident129 Ų129100 Ų10060%0.59752%0.523SS*.Hα-helixtrans-57.7-33.6178.2-177.2-61.2000113.1L742 S750L742-H746 PolarHBondContact O-N 3.38Å; H746-S750 WeakPolarHBondContact O-CB 3.33Å; H746-S750 PolarHBondContact O-N 2.61Å
747L80.6Confident78.6Confident115 Ų115100.7 Ų100.760%0.60253%0.529SS*.Hα-helixtrans-67.9-36.9175.3-78.1168.4000112.7K743 Q745 A751K743-L747 VanDerWaalsContact O-CG 3.32Å; K743-L747 WeakPolarHBondContact O-CG 3.44Å; K743-L747 PolarHBondContact O-N 2.96Å; K743-L747 VanDerWaalsContact O-N 3.07Å; Q745-L747 PolarHBondContact O-N 2.97Å; L747-A751 PolarHBondContact O-N 3.39Å
748R77.9Confident78.1Confident124 Ų12499 Ų9947%0.46852%0.524SS..Hα-helixtrans-68-51.8172.7-74.9175.7-81.6127.1-4.8111E744 Q745 S750 A751 D752E744-R748 PolarHBondContact O-N 3.35Å; E744-R748 PolarHBondContact O-NE 2.91Å; E744-R748 VanDerWaalsContact O-NE 3.15Å; Q745-R748 WeakPolarHBondContact O-CA 3.25Å; Q745-R748 WeakPolarHBondContact O-CB 3.28Å; Q745-R748 PolarHBondContact O-N 3.36Å; Q745-R748 VanDerWaalsContact OE1-CZ 3.26Å; R748-S750 PolarHBondContact O-N 3.39Å; R748-A751 WeakPolarHBondContact O-CB 3.46Å; R748-A751 PolarHBondContact O-N 3.41Å; R748-D752 PolarHBondContact O-N 3.47Å
749D80.6Confident77.7Confident79 Ų79101.8 Ų101.842%0.42254%0.535SS..Hα-helixtrans-56-38179.6-55.5-26.3000111.7Q745 L753Q745-D749 VanDerWaalsContact O-CG 3.23Å; Q745-D749 PolarHBondContact O-N 3.47Å; D749-L753 PolarHBondContact O-N 3.14Å
750S78.4Confident77.3Confident54 Ų5499.8 Ų99.838%0.37853%0.529SS..Hα-helixtrans-69.6-32.7176.5-172.90000113.9H746 R748 K754H746-S750 WeakPolarHBondContact O-CB 3.33Å; H746-S750 PolarHBondContact O-N 2.61Å; R748-S750 PolarHBondContact O-N 3.39Å; S750-K754 PolarHBondContact O-N 2.62Å
751A77.7Confident76.9Confident50 Ų50102.9 Ų102.941%0.41353%0.533SS..Hα-helixtrans-72.1-40.9175.100000111.6L747 R748 K754 T755L747-A751 PolarHBondContact O-N 3.39Å; R748-A751 WeakPolarHBondContact O-CB 3.46Å; R748-A751 PolarHBondContact O-N 3.41Å; A751-K754 PolarHBondContact O-N 3.2Å; A751-T755 PolarHBondContact O-N 3.4Å; A751-T755 PolarHBondContact O-OG1 2.9Å
752D79.3Confident76.6Confident102 Ų102104.1 Ų104.155%0.54553%0.534SS..Hα-helixtrans-64.7-41.1175.4-70.4-26.4000111.3R748 K754 T755 L756R748-D752 PolarHBondContact O-N 3.47Å; D752-K754 PolarHBondContact O-N 2.93Å; D752-T755 WeakPolarHBondContact O-CB 3.27Å; D752-T755 PolarHBondContact O-N 3.3Å; D752-T755 VanDerWaalsContact O-N 3.15Å; D752-L756 PolarHBondContact O-N 3.12Å
753L73.6Confident76.5Confident125 Ų125104.8 Ų104.865%0.65453%0.534SS*.Hα-helixtrans-59-44.3173.8-122.977.3000112.8D749 T755 L756 L757D749-L753 PolarHBondContact O-N 3.14Å; L753-T755 VanDerWaalsContact C-N 3.3Å; L753-T755 PolarHBondContact O-N 3.42Å; L753-L756 PolarHBondContact O-N 3.4Å; L753-L757 WeakPolarHBondContact O-CB 3.33Å; L753-L757 PolarHBondContact O-N 2.98Å
754K75.4Confident76Confident158 Ų158100.7 Ų100.769%0.68753%0.529SS*.Hα-helixtrans-60.3-40.7174.7-88.4-179.7172.2176.90112S750 A751 D752 L757 S758S750-K754 PolarHBondContact O-N 2.62Å; A751-K754 PolarHBondContact O-N 3.2Å; D752-K754 PolarHBondContact O-N 2.93Å; K754-L757 PolarHBondContact O-N 2.94Å; K754-S758 PolarHBondContact O-N 3.42Å; K754-S758 VanDerWaalsContact O-N 3.15Å
755T76.5Confident75.7Confident89 Ų89100.4 Ų100.455%0.54653%0.526SS..Hα-helixtrans-64.7-45.1-179.8-53.10000110.6A751 D752 L753 S758 K759A751-T755 PolarHBondContact O-N 3.4Å; A751-T755 PolarHBondContact O-OG1 2.9Å; D752-T755 WeakPolarHBondContact O-CB 3.27Å; D752-T755 PolarHBondContact O-N 3.3Å; D752-T755 VanDerWaalsContact O-N 3.15Å; L753-T755 VanDerWaalsContact C-N 3.3Å; L753-T755 PolarHBondContact O-N 3.42Å; T755-S758 PolarHBondContact O-OG 2.94Å; T755-K759 PolarHBondContact O-N 2.9Å
756L77.4Confident75.6Confident117 Ų117101.5 Ų101.561%0.61353%0.534SS*.Hα-helixtrans-60.4-43.4172.9-72.1167.6000112.8D752 L753 K759 A760D752-L756 PolarHBondContact O-N 3.12Å; L753-L756 PolarHBondContact O-N 3.4Å; L756-K759 VanDerWaalsContact O-CB 3.32Å; L756-K759 WeakPolarHBondContact O-CB 3.23Å; L756-K759 PolarHBondContact O-N 3.36Å; L756-K759 VanDerWaalsContact O-N 3.13Å; L756-A760 PolarHBondContact O-N 2.77Å; L756-A760 VanDerWaalsContact O-N 3.12Å
757L72.8Confident75.2Confident109 Ų109100.5 Ų100.557%0.57154%0.537SS*.Hα-helixtrans-64.3-45-175.8-162.4151.9000112L753 K754 K759 A760 E761L753-L757 WeakPolarHBondContact O-CB 3.33Å; L753-L757 PolarHBondContact O-N 2.98Å; K754-L757 PolarHBondContact O-N 2.94Å; L757-K759 PolarHBondContact O-N 2.83Å; L757-A760 PolarHBondContact O-N 3.46Å; L757-E761 HydrophobicContact CD2-CG 4.18Å; L757-E761 PolarHBondContact O-N 2.97Å
758S74.1Confident74.7Confident55 Ų5599.9 Ų99.939%0.38553%0.531SS..Hα-helixtrans-62.2-28.817467.90000113.6K754 T755 N762K754-S758 PolarHBondContact O-N 3.42Å; K754-S758 VanDerWaalsContact O-N 3.15Å; T755-S758 PolarHBondContact O-OG 2.94Å; S758-N762 PolarHBondContact O-N 3.33Å; S758-N762 PolarHBondContact O-ND2 2.75Å; S758-N762 VanDerWaalsContact O-ND2 3.1Å
759K75.6Confident74.6Confident148 Ų148100.4 Ų100.464%0.64354%0.537SS*.Hα-helixtrans-70.6-39.5176.5-156.2173.2-174.7177.90111.1T755 L756 L757 Q763T755-K759 PolarHBondContact O-N 2.9Å; L756-K759 VanDerWaalsContact O-CB 3.32Å; L756-K759 WeakPolarHBondContact O-CB 3.23Å; L756-K759 PolarHBondContact O-N 3.36Å; L756-K759 VanDerWaalsContact O-N 3.13Å; L757-K759 PolarHBondContact O-N 2.83Å; K759-Q763 PolarHBondContact O-N 2.96Å
760A73.2Confident74.1Confident55 Ų55101.7 Ų101.746%0.45554%0.54SS..Hα-helixtrans-69.3-40.6174.700000112.9L756 L757 N762 Q763 A764L756-A760 PolarHBondContact O-N 2.77Å; L756-A760 VanDerWaalsContact O-N 3.12Å; L757-A760 PolarHBondContact O-N 3.46Å; A760-N762 VanDerWaalsContact C-N 3.27Å; A760-N762 PolarHBondContact O-N 3.49Å; A760-Q763 PolarHBondContact O-N 3.47Å; A760-A764 PolarHBondContact O-N 3.36Å
761E71.8Confident73.8Confident104 Ų104105.9 Ų105.949%0.48655%0.548SS..Hα-helixtrans-58.9-36.6176.7-77.1-166.5122.800113.3L757 K765L757-E761 HydrophobicContact CD2-CG 4.18Å; L757-E761 PolarHBondContact O-N 2.97Å; E761-K765 WeakPolarHBondContact O-CG 3.35Å; E761-K765 PolarHBondContact O-N 2.93Å
762N74.3Confident73.6Confident90 Ų90108.4 Ų108.448%0.48155%0.552SS.*Hα-helixtrans-71.8-41178.2-70-35.3000111.5S758 A760 A764 K765 D766S758-N762 PolarHBondContact O-N 3.33Å; S758-N762 PolarHBondContact O-ND2 2.75Å; S758-N762 VanDerWaalsContact O-ND2 3.1Å; A760-N762 VanDerWaalsContact C-N 3.27Å; A760-N762 PolarHBondContact O-N 3.49Å; N762-A764 VanDerWaalsContact C-N 3.29Å; N762-A764 PolarHBondContact O-N 2.88Å; N762-K765 PolarHBondContact O-N 3.32Å; N762-K765 VanDerWaalsContact O-N 3.15Å; N762-D766 PolarHBondContact O-N 2.95Å
763Q72.9Confident73.3Confident133 Ų133109 Ų10962%0.62155%0.549SS*.Hα-helixtrans-60.4-38173.9-69.2179.8-51.800112.4K759 A760 K765 D766 V767K759-Q763 PolarHBondContact O-N 2.96Å; A760-Q763 PolarHBondContact O-N 3.47Å; Q763-K765 VanDerWaalsContact C-N 3.35Å; Q763-K765 PolarHBondContact O-N 3.04Å; Q763-D766 PolarHBondContact O-N 2.6Å; Q763-V767 WeakPolarHBondContact O-CG2 3.28Å; Q763-V767 PolarHBondContact O-N 3.24Å
764A70Confident73Confident65 Ų65107.2 Ų107.254%0.53754%0.544SS..Hα-helixtrans-63.6-37.7175.700000112.9A760 N762 V767 Q768A760-A764 PolarHBondContact O-N 3.36Å; N762-A764 VanDerWaalsContact C-N 3.29Å; N762-A764 PolarHBondContact O-N 2.88Å; A764-V767 PolarHBondContact O-N 3.5Å; A764-Q768 PolarHBondContact O-N 3.09Å; A764-Q768 VanDerWaalsContact O-N 3.14Å
765K72.5Confident72.7Confident122 Ų122105 Ų10553%0.5354%0.536SS..Hα-helixtrans-68.4-36.1178.4-71164.7-171.6160.70112.7E761 N762 Q763 K769E761-K765 WeakPolarHBondContact O-CG 3.35Å; E761-K765 PolarHBondContact O-N 2.93Å; N762-K765 PolarHBondContact O-N 3.32Å; N762-K765 VanDerWaalsContact O-N 3.15Å; Q763-K765 VanDerWaalsContact C-N 3.35Å; Q763-K765 PolarHBondContact O-N 3.04Å; K765-K769 PolarHBondContact O-N 2.91Å
766D74.1Confident72.4Confident109 Ų109105 Ų10558%0.58354%0.536SS*.Hα-helixtrans-69.5-40.5176.4-71.4-33.8000111.7N762 Q763 Q768 K769 E770N762-D766 PolarHBondContact O-N 2.95Å; Q763-D766 PolarHBondContact O-N 2.6Å; D766-Q768 PolarHBondContact O-N 2.91Å; D766-K769 WeakPolarHBondContact O-CB 3.43Å; D766-K769 PolarHBondContact O-N 3.4Å; D766-K769 VanDerWaalsContact O-N 3.15Å; D766-E770 PolarHBondContact O-N 2.9Å
767V71.5Confident72.2Confident107 Ų107104.1 Ų104.165%0.64854%0.535SS*.Hα-helixtrans-62.9-42.3176.2172.60000112Q763 A764 K769 E770 Y771Q763-V767 WeakPolarHBondContact O-CG2 3.28Å; Q763-V767 PolarHBondContact O-N 3.24Å; A764-V767 PolarHBondContact O-N 3.5Å; V767-K769 PolarHBondContact O-N 3.27Å; V767-E770 PolarHBondContact O-N 2.9Å; V767-Y771 PolarHBondContact O-N 3.2Å
768Q70.1Confident71.8Confident103 Ų103104.9 Ų104.948%0.48154%0.539SS..Hα-helixtrans-55.9-36.4174.7-179.462.431.700112A764 D766 Y771 E772A764-Q768 PolarHBondContact O-N 3.09Å; A764-Q768 VanDerWaalsContact O-N 3.14Å; D766-Q768 PolarHBondContact O-N 2.91Å; Q768-Y771 WeakPolarHBondContact O-CB 3.37Å; Q768-Y771 PolarHBondContact O-N 3.49Å; Q768-E772 PolarHBondContact NE2-OE1 3.28Å; Q768-E772 PolarHBondContact O-N 2.88Å
769K74.6Confident71.4Confident135 Ų135105.8 Ų105.859%0.58755%0.545SS*.Hα-helixtrans-76.4-23.1-176.9-153.8173.7-172.21760113.9K765 D766 V767 K773K765-K769 PolarHBondContact O-N 2.91Å; D766-K769 WeakPolarHBondContact O-CB 3.43Å; D766-K769 PolarHBondContact O-N 3.4Å; D766-K769 VanDerWaalsContact O-N 3.15Å; V767-K769 PolarHBondContact O-N 3.27Å; K769-K773 WeakPolarHBondContact O-CG 3.43Å
770E71.5Confident71.1Confident105 Ų105104.8 Ų104.849%0.49154%0.543SS..Hα-helixtrans-80.6-31.6170.1-68.6-57.5121.700112.3D766 V767 K773 T774D766-E770 PolarHBondContact O-N 2.9Å; V767-E770 PolarHBondContact O-N 2.9Å; E770-K773 PolarHBondContact O-N 3.07Å; E770-K773 WeakPolarHBondContact OE1-CE 3.41Å; E770-K773 IonicContact OE1-NZ 2.63Å; E770-K773 PolarHBondContact OE1-NZ 3.36Å; E770-K773 IonicContact OE2-NZ 3.78Å; E770-T774 PolarHBondContact O-N 2.78Å; E770-T774 PolarHBondContact O-OG1 3.47Å
771Y71.6Confident70.8Confident142 Ų142108 Ų10856%0.55755%0.552SS**Hα-helixtrans-62.1-46174.8-176.6-95.4000111.9V767 Q768 K773 T774 Q775V767-Y771 PolarHBondContact O-N 3.2Å; Q768-Y771 WeakPolarHBondContact O-CB 3.37Å; Q768-Y771 PolarHBondContact O-N 3.49Å; Y771-K773 VanDerWaalsContact C-N 3.31Å; Y771-K773 PolarHBondContact O-N 2.96Å; Y771-T774 WeakPolarHBondContact CA-OG1 3.39Å; Y771-T774 PolarHBondContact O-N 3.46Å; Y771-T774 VanDerWaalsContact O-N 3.15Å; Y771-T774 PolarHBondContact O-OG1 2.82Å; Y771-Q775 PolarHBondContact O-N 3.05Å; Y771-Q775 VanDerWaalsContact O-N 3.07Å
772E72.9Confident70.5Confident104 Ų104110.4 Ų110.449%0.48656%0.561SS.*Hα-helixtrans-62.4-35.3179.3-71.4167.2-165.200112.7Q768 T776Q768-E772 PolarHBondContact NE2-OE1 3.28Å; Q768-E772 PolarHBondContact O-N 2.88Å; E772-T776 PolarHBondContact O-N 3.22Å
773K72.5Confident70.3Confident113 Ų113112 Ų11249%0.49157%0.569SS.*Hα-helixtrans-67.7-38.4173.7-66.8174.2-172.6174.30113.3K769 E770 Y771 Q775 T776K769-K773 WeakPolarHBondContact O-CG 3.43Å; E770-K773 PolarHBondContact O-N 3.07Å; E770-K773 WeakPolarHBondContact OE1-CE 3.41Å; E770-K773 IonicContact OE1-NZ 2.63Å; E770-K773 PolarHBondContact OE1-NZ 3.36Å; E770-K773 IonicContact OE2-NZ 3.78Å; Y771-K773 VanDerWaalsContact C-N 3.31Å; Y771-K773 PolarHBondContact O-N 2.96Å; K773-Q775 VanDerWaalsContact C-N 3.34Å; K773-T776 PolarHBondContact O-OG1 2.8Å
774T68.1Low70Confident89 Ų89111.9 Ų111.955%0.54657%0.566SS.*Hα-helixtrans-74.5-29-178.739.10000111.6E770 Y771 L778E770-T774 PolarHBondContact O-N 2.78Å; E770-T774 PolarHBondContact O-OG1 3.47Å; Y771-T774 WeakPolarHBondContact CA-OG1 3.39Å; Y771-T774 PolarHBondContact O-N 3.46Å; Y771-T774 VanDerWaalsContact O-N 3.15Å; Y771-T774 PolarHBondContact O-OG1 2.82Å; T774-L778 WeakPolarHBondContact O-CB 3.43Å; T774-L778 PolarHBondContact O-N 2.81Å
775Q69.2Low69.8Low112 Ų112115.9 Ų115.952%0.52357%0.572SS.*Hα-helixtrans-68.7-35.7175.3-168.4169.51.600113.7Y771 K773 S779Y771-Q775 PolarHBondContact O-N 3.05Å; Y771-Q775 VanDerWaalsContact O-N 3.07Å; K773-Q775 VanDerWaalsContact C-N 3.34Å; Q775-S779 PolarHBondContact O-N 3.04Å; Q775-S779 PolarHBondContact O-OG 3.42Å
776T70.6Confident69.5Low89 Ų89116.4 Ų116.455%0.54658%0.576SS.*Hα-helixtrans-69.4-45.3175.750.30000112.5E772 K773 L778 S779 E780E772-T776 PolarHBondContact O-N 3.22Å; K773-T776 PolarHBondContact O-OG1 2.8Å; T776-L778 VanDerWaalsContact C-N 3.28Å; T776-L778 PolarHBondContact O-N 3.08Å; T776-S779 WeakPolarHBondContact O-CB 3.44Å; T776-S779 PolarHBondContact O-N 3.38Å; T776-E780 PolarHBondContact O-N 3.15Å
777V73.3Confident69.1Low98 Ų98116.8 Ų116.859%0.59458%0.576SS**Hα-helixtrans-58.5-39.8176.6175.70000111.9S779 E780 L781V777-S779 PolarHBondContact O-N 3.04Å; V777-E780 PolarHBondContact O-N 2.69Å; V777-L781 PolarHBondContact O-N 3.1Å
778L63.5Low68.6Low124 Ų124115.9 Ų115.965%0.64957%0.57SS**Hα-helixtrans-66.2-27.4178.5-159.1149000112.4T774 T776 K782T774-L778 WeakPolarHBondContact O-CB 3.43Å; T774-L778 PolarHBondContact O-N 2.81Å; T776-L778 VanDerWaalsContact C-N 3.28Å; T776-L778 PolarHBondContact O-N 3.08Å; L778-K782 PolarHBondContact O-N 3.47Å
779S66.1Low68.3Low74 Ų74116.4 Ų116.452%0.51757%0.573SS.*Hα-helixtrans-73.5-42.3176.4-56.70000112.3Q775 T776 V777 K782 L783Q775-S779 PolarHBondContact O-N 3.04Å; Q775-S779 PolarHBondContact O-OG 3.42Å; T776-S779 WeakPolarHBondContact O-CB 3.44Å; T776-S779 PolarHBondContact O-N 3.38Å; V777-S779 PolarHBondContact O-N 3.04Å; S779-K782 PolarHBondContact O-N 2.8Å; S779-L783 PolarHBondContact O-N 2.98Å
780E68.8Low67.5Low127 Ų127117.2 Ų117.259%0.59358%0.579SS**Hα-helixtrans-65.1-38.1176.2-66.5-170.9177.400113T776 V777 K782 L783 K784T776-E780 PolarHBondContact O-N 3.15Å; V777-E780 PolarHBondContact O-N 2.69Å; E780-K782 VanDerWaalsContact C-N 3.28Å; E780-K782 PolarHBondContact O-N 2.95Å; E780-L783 PolarHBondContact O-N 3.44Å; E780-K784 PolarHBondContact O-N 2.71Å
781L66.1Low66.9Low122 Ų122117.9 Ų117.964%0.63958%0.582SS**Hα-helixtrans-65.5-34.9179.7-169.265.4000111.7V777 K784 F785V777-L781 PolarHBondContact O-N 3.1Å; L781-K784 PolarHBondContact O-N 3.37Å; L781-F785 PolarHBondContact O-N 3.44Å
782K65.8Low66.3Low156 Ų156117.6 Ų117.668%0.67858%0.584SS**Hα-helixtrans-65.6-44.5178-159.7176.6-176.1-174.90111.9L778 S779 E780 K784 F785 E786L778-K782 PolarHBondContact O-N 3.47Å; S779-K782 PolarHBondContact O-N 2.8Å; E780-K782 VanDerWaalsContact C-N 3.28Å; E780-K782 PolarHBondContact O-N 2.95Å; K782-K784 VanDerWaalsContact C-N 3.32Å; K782-K784 PolarHBondContact O-N 2.79Å; K782-F785 PolarHBondContact O-N 3.35Å; K782-E786 PolarHBondContact O-N 2.83Å
783L70.9Confident65.6Low124 Ų124118.3 Ų118.365%0.64959%0.587SS**Hα-helixtrans-60.8-39.4177.6-165.279.2000112.3S779 E780 E786 M787S779-L783 PolarHBondContact O-N 2.98Å; E780-L783 PolarHBondContact O-N 3.44Å; L783-E786 PolarHBondContact O-N 3.06Å; L783-M787 PolarHBondContact O-N 3.42Å
784K65.9Low64.8Low130 Ų130116.4 Ų116.457%0.56559%0.588SS**Hα-helixtrans-66.2-38178.2-74.7173.5179.2164.30112.7E780 L781 K782 M787 T788E780-K784 PolarHBondContact O-N 2.71Å; L781-K784 PolarHBondContact O-N 3.37Å; K782-K784 VanDerWaalsContact C-N 3.32Å; K782-K784 PolarHBondContact O-N 2.79Å; K784-M787 PolarHBondContact O-N 3.41Å; K784-T788 PolarHBondContact O-N 2.87Å; K784-T788 PolarHBondContact O-OG1 3.47Å
785F65.7Low64.4Low149 Ų149117.7 Ų117.765%0.65459%0.59SS**Hα-helixtrans-63-43.1178.1-162.9-85.4000111.7L781 K782 M787 T788 E789L781-F785 PolarHBondContact O-N 3.44Å; K782-F785 PolarHBondContact O-N 3.35Å; F785-M787 PolarHBondContact O-N 2.88Å; F785-T788 PolarHBondContact O-N 3.48Å; F785-T788 VanDerWaalsContact O-N 3.16Å; F785-E789 PolarHBondContact O-N 2.84Å; F785-E789 VanDerWaalsContact O-N 3.16Å
786E67.3Low64Low133 Ų133116.1 Ų116.162%0.62159%0.589SS**Hα-helixtrans-66-36.9-178.2-155.9157.5-155.500112.1K782 L783 Q790K782-E786 PolarHBondContact O-N 2.83Å; L783-E786 PolarHBondContact O-N 3.06Å; E786-Q790 PolarHBondContact O-N 3.1Å
787M64.4Low63.4Low116 Ų116116.9 Ų116.957%0.57159%0.589SS**Hα-helixtrans-60.9-45.6168.6-99.8-173.86600113L783 K784 F785 E789 Q790 E791L783-M787 PolarHBondContact O-N 3.42Å; K784-M787 PolarHBondContact O-N 3.41Å; F785-M787 PolarHBondContact O-N 2.88Å; M787-E789 PolarHBondContact O-N 3.02Å; M787-Q790 PolarHBondContact O-N 2.6Å; M787-E791 PolarHBondContact O-N 3.23Å
788T61.3Low62.7Low88 Ų88118.7 Ų118.754%0.5459%0.591SS.*Hα-helixtrans-66.7-27.7-176.8-49.70000112.3K784 F785 K792K784-T788 PolarHBondContact O-N 2.87Å; K784-T788 PolarHBondContact O-OG1 3.47Å; F785-T788 PolarHBondContact O-N 3.48Å; F785-T788 VanDerWaalsContact O-N 3.16Å; T788-K792 PolarHBondContact O-N 3.31Å
789E63.4Low62.2Low114 Ų114119.5 Ų119.553%0.53360%0.595SS.*Hα-helixtrans-74.2-32.6175.7-169.3148.2-132.300112.7F785 M787 Q793F785-E789 PolarHBondContact O-N 2.84Å; F785-E789 VanDerWaalsContact O-N 3.16Å; M787-E789 PolarHBondContact O-N 3.02Å; E789-Q793 PolarHBondContact O-N 2.83Å
790Q59.4Low61.4Low152 Ų152123.5 Ų123.571%0.7160%0.604SS**Hα-helixtrans-66.3-45173.9-98.7-175.6-1100113.1E786 M787 K792 Q793 S794E786-Q790 PolarHBondContact O-N 3.1Å; M787-Q790 PolarHBondContact O-N 2.6Å; Q790-K792 VanDerWaalsContact C-N 3.32Å; Q790-K792 PolarHBondContact O-N 2.82Å; Q790-Q793 PolarHBondContact O-N 3.43Å; Q790-S794 PolarHBondContact O-N 3.22Å
791E58.5Low60.5Low120 Ų120124.7 Ų124.756%0.56161%0.609SS**Hα-helixtrans-61.1-41.1179.4-67.2-177.2154.200111.9M787 Q793 S794 I795M787-E791 PolarHBondContact O-N 3.23Å; E791-Q793 VanDerWaalsContact C-N 3.28Å; E791-Q793 PolarHBondContact O-N 2.97Å; E791-S794 PolarHBondContact O-N 2.91Å; E791-I795 PolarHBondContact O-N 3.32Å
792K58.3Low59.5Low136 Ų136122.7 Ų122.759%0.59160%0.604SS**Hα-helixtrans-58.9-36.7176.6178.6-173.8170.4-1640112.7T788 Q790 T796T788-K792 PolarHBondContact O-N 3.31Å; Q790-K792 VanDerWaalsContact C-N 3.32Å; Q790-K792 PolarHBondContact O-N 2.82Å; K792-T796 PolarHBondContact O-OG1 3.44Å
793Q57.4Low58.7Low118 Ų118123.4 Ų123.455%0.55161%0.608SS**Hα-helixtrans-68.6-43.7177.7-165.762.929.200111E789 Q790 E791 I795 T796E789-Q793 PolarHBondContact O-N 2.83Å; Q790-Q793 PolarHBondContact O-N 3.43Å; E791-Q793 VanDerWaalsContact C-N 3.28Å; E791-Q793 PolarHBondContact O-N 2.97Å; Q793-I795 PolarHBondContact O-N 2.99Å; Q793-T796 WeakPolarHBondContact O-CB 3.44Å; Q793-T796 PolarHBondContact O-N 3.16Å; Q793-T796 VanDerWaalsContact O-N 3.09Å
794S56.8Low57.6Low73 Ų73124 Ų12451%0.5161%0.611SS.*Hα-helixtrans-58.1-45179.3-162.40000112.9Q790 E791 T796 D797Q790-S794 PolarHBondContact O-N 3.22Å; E791-S794 PolarHBondContact O-N 2.91Å; S794-T796 PolarHBondContact O-N 3.47Å; S794-D797 PolarHBondContact O-N 3.24Å
795I60.6Low56.4Low117 Ų117124.1 Ų124.160%0.662%0.618SS**Hα-helixtrans-63.9-26.1179.5-65.2168.7000112E791 Q793E791-I795 PolarHBondContact O-N 3.32Å; Q793-I795 PolarHBondContact O-N 2.99Å
796T60.2Low55.3Low79 Ų79124 Ų12449%0.48562%0.623SS.*Hα-helixtrans-74.1-31.7-176-58.60000112.6K792 Q793 S794K792-T796 PolarHBondContact O-OG1 3.44Å; Q793-T796 WeakPolarHBondContact O-CB 3.44Å; Q793-T796 PolarHBondContact O-N 3.16Å; Q793-T796 VanDerWaalsContact O-N 3.09Å; S794-T796 PolarHBondContact O-N 3.47Å
797D57.6Low53.8Low104 Ų104126.9 Ų126.956%0.55663%0.634SS**Hα-helixtrans-82.9-41-178.4-73-37.8000112.6S794 L799 K800 Q801S794-D797 PolarHBondContact O-N 3.24Å; D797-L799 VanDerWaalsContact C-N 3.3Å; D797-L799 PolarHBondContact O-N 3.46Å; D797-K800 PolarHBondContact O-N 3.4Å; D797-K800 VanDerWaalsContact O-N 3.11Å; D797-Q801 PolarHBondContact O-N 3.35Å
798E57.9Low52.6Low137 Ų137128.9 Ų128.964%0.6465%0.646SS**Hα-helixtrans-56-43.4177-68.3-171.4167.100112.4K800 Q801 C802E798-K800 PolarHBondContact O-N 2.85Å; E798-K800 VanDerWaalsContact O-N 3.15Å; E798-Q801 PolarHBondContact O-N 2.76Å; E798-C802 PolarHBondContact O-N 2.92Å
799L53.4Low51.2Low141 Ų141132.7 Ų132.774%0.73866%0.662SS**Hα-helixtrans-60.5-28.1-178.4-164.673.5000112.6D797D797-L799 VanDerWaalsContact C-N 3.3Å; D797-L799 PolarHBondContact O-N 3.46Å
800K50Low50.4Low158 Ų158137.7 Ų137.769%0.68768%0.676SS**Hα-helixtrans-90.2-30.7-175.3-146.2171.7-172.91770112.7D797 E798 C802 K803D797-K800 PolarHBondContact O-N 3.4Å; D797-K800 VanDerWaalsContact O-N 3.11Å; E798-K800 PolarHBondContact O-N 2.85Å; E798-K800 VanDerWaalsContact O-N 3.15Å; K800-C802 VanDerWaalsContact C-N 3.31Å; K800-C802 PolarHBondContact O-N 3.25Å; K800-K803 PolarHBondContact O-N 3.32Å
801Q48.6Very low49.2Very low151 Ų151137.4 Ų137.471%0.70668%0.675SS**Hα-helixtrans-63.5-38.3172.9-168.8170.62.100111.4D797 E798 K803 N804D797-Q801 PolarHBondContact O-N 3.35Å; E798-Q801 PolarHBondContact O-N 2.76Å; Q801-K803 VanDerWaalsContact C-N 3.29Å; Q801-K803 PolarHBondContact O-N 3.41Å; Q801-N804 PolarHBondContact O-N 3.06Å
802C47.1Very low47.9Very low80 Ų80141 Ų14154%0.54169%0.689SS.*Hα-helixtrans-63-32.1176.8-165.10000113.2E798 K800 N804 N805E798-C802 PolarHBondContact O-N 2.92Å; K800-C802 VanDerWaalsContact C-N 3.31Å; K800-C802 PolarHBondContact O-N 3.25Å; C802-N804 VanDerWaalsContact C-N 3.25Å; C802-N804 PolarHBondContact O-N 3.11Å; C802-N805 PolarHBondContact O-N 3.25Å
803K48.3Very low46.5Very low172 Ų172138.3 Ų138.375%0.74870%0.7SS**Hα-helixtrans-66.6-20-176.2-166.8166.1-175.8170.50114.5K800 Q801K800-K803 PolarHBondContact O-N 3.32Å; Q801-K803 VanDerWaalsContact C-N 3.29Å; Q801-K803 PolarHBondContact O-N 3.41Å
804N46.7Very low45Very low135 Ų135139.8 Ų139.872%0.72271%0.711SS**Hα-helixtrans-85.2-25.4179.4-74.7-16.5000113.7Q801 C802Q801-N804 PolarHBondContact O-N 3.06Å; C802-N804 VanDerWaalsContact C-N 3.25Å; C802-N804 PolarHBondContact O-N 3.11Å
805N41.6Very low43.6Very low133 Ų133143.5 Ų143.571%0.71173%0.725SS**Hα-helixtrans-83.1-24.7-173.5-72.5-16.9000113.7C802 K807C802-N805 PolarHBondContact O-N 3.25Å; N805-K807 VanDerWaalsContact C-N 3.32Å; N805-K807 PolarHBondContact O-N 3.49Å
806L41.6Very low42.8Very low146 Ų146142.9 Ų142.976%0.76473%0.729SS**THydrogen-bonded Turntrans-9439.7-173.2-113164.2000114.2
807K37.7Very low41.3Very low194 Ų194143.8 Ų143.884%0.84374%0.738SS**THydrogen-bonded Turntrans-110.63.6177.7-148.1179.1-178-177.20114.3N805N805-K807 VanDerWaalsContact C-N 3.32Å; N805-K807 PolarHBondContact O-N 3.49Å
808L37.9Very low40.1Very low158 Ų158145.8 Ų145.883%0.82775%0.747SS**SBendtrans-126.8-9.5-164.9-149.169.9000117.4
809L32.5Very low38.8Very low169 Ų169145.7 Ų145.789%0.88575%0.751SS**  trans-124.484175.9-76.2177.6000113
810R46.4Very low37.6Very low219 Ų219147.1 Ų147.183%0.82675%0.753SS**  trans-87.7118.6159.6158.8-162.2-81-164.4-4.8107.6
811E35.1Very low38Very low145 Ų145144.3 Ų144.368%0.67875%0.752SS**  168.7147.9116.5-116.1151.8-120.500115.2
812K30.4Very low37.5Very low197 Ų197143.1 Ų143.186%0.85775%0.754SS**  trans59.4122.7160.8-66.7174.9179.6170.70120.9
813G28.4Very low37.8Very low79 Ų79144.5 Ų144.581%0.81476%0.762SS**  trans147.465.5143.300000121.3
814N26.7Very low37.4Very low149 Ų149140.6 Ų140.680%0.79776%0.762SS**  trans14.5126.3152.3-71.13.3000123.3
815N26.6Very low37Very low150 Ų150140.2 Ų140.280%0.80276%0.764SS**  54.2163.9125.4-76.4-5.7000122.9
816P43.5Very low36.6Very low105 Ų105142.2 Ų142.268%0.68277%0.767SS**  cis-134.3-174.3-6.528.7-5.5000116.2
817S29.8Very low36.5Very low97 Ų97142.7 Ų142.768%0.67877%0.769SS**  trans74.5146.3143.744.20000121.6
818I32.7Very low36.2Very low146 Ų146136.5 Ų136.575%0.74976%0.76SS**  cis-161.9149.1-4.4-112.7165.3000113.4
819L29.7Very low36.1Very low135 Ų135137.1 Ų137.171%0.70776%0.763SS**  trans47.8148.7161.3-82.840.2000123.4
820Q29.3Very low36.2Very low171 Ų171137.8 Ų137.880%0.79976%0.759SS**  cis88.6168.715-77.1-159.2-23.200118.3
821P58.7Low35.7Very low100 Ų100135.2 Ų135.265%0.64976%0.761SS**  cis-142.2-150.8-31.831.5-7.3000116.4
822V36.3Very low35.7Very low125 Ų125132.8 Ų132.876%0.75877%0.766SS**  trans89.6158.5155.9-125.90000120.3
823P53.5Low36.1Very low109 Ų109130.2 Ų130.271%0.70876%0.755SS**  -145.3174.1-87.248.4-31.2000121.9
824A39.5Very low36.7Very low90 Ų90135 Ų13574%0.74476%0.761SS**  trans60.1156.6133.200000127.8
825V39.8Very low37.3Very low128 Ų128134 Ų13478%0.77675%0.75SS**  trans123115.3144.5177.40000119.8
826F32.6Very low37.7Very low175 Ų175137.4 Ų137.477%0.76875%0.752SS**  trans40127.6146.8-73.4-114.4000121.9
827I39Very low37.4Very low156 Ų156135.6 Ų135.680%0.874%0.741SS**  83.6122.863.5-70.8171.9000115.6
828G31.3Very low37.9Very low64 Ų64139.1 Ų139.166%0.6674%0.744SS**  trans145.3121.5151.500000118.2
829L36Very low37.9Very low171 Ų171136 Ų13690%0.89575%0.748SS**  trans61.7134.5163.6-55.3170.4000117
830F35.9Very low39.3Very low182 Ų182134 Ų13480%0.79874%0.743SS**  cis60.41173-104.9-90.7000117.8
831L36Very low39.6Very low165 Ų165133 Ų13386%0.86474%0.743SS**  trans66.472.8163.9-66.5163000118.2
832A35Very low38.9Very low95 Ų95143.7 Ų143.779%0.78577%0.77SS**  trans-146.7146146.700000111
833F38.7Very low39Very low143 Ų143144.6 Ų144.663%0.62777%0.771SS**  trans56.656165.6-102.5-117.7000117.7F835 W836F833-F835 VanDerWaalsContact CA-N 3.31Å; F833-F835 HydrophobicContact CD1-CB 4.24Å; F833-F835 HydrophobicContact CD2-CB 4.02Å; F833-F835 HydrophobicContact CE1-CB 4.06Å; F833-F835 WeakPolarHBondContact CE1-O 3.49Å; F833-F835 HydrophobicContact CE2-CB 3.82Å; F833-F835 HydrophobicContact CG-CB 4.22Å; F833-F835 HydrophobicContact CZ-CB 3.84Å; F833-W836 HydrophobicContact CD1-CB 4.02Å; F833-W836 HydrophobicContact CD1-CE3 4.46Å; F833-W836 HydrophobicContact CE1-CB 3.9Å; F833-W836 HydrophobicContact CE1-CD2 4.36Å; F833-W836 AromaticContact CE1-CE3 3.85Å; F833-W836 HydrophobicContact CE1-CE3 3.85Å; F833-W836 HydrophobicContact CE1-CG 4.45Å
834L41.1Very low38.2Very low178 Ų178146.5 Ų146.593%0.93277%0.774SS**SBend-48.868.696-74.8168.8000115.4
835F38.4Very low38.2Very low128 Ų128149.6 Ų149.656%0.56178%0.776SS**  trans-165.234.7161-136.7-100.3000118.2F833 C837F833-F835 VanDerWaalsContact CA-N 3.31Å; F833-F835 HydrophobicContact CD1-CB 4.24Å; F833-F835 HydrophobicContact CD2-CB 4.02Å; F833-F835 HydrophobicContact CE1-CB 4.06Å; F833-F835 WeakPolarHBondContact CE1-O 3.49Å; F833-F835 HydrophobicContact CE2-CB 3.82Å; F833-F835 HydrophobicContact CG-CB 4.22Å; F833-F835 HydrophobicContact CZ-CB 3.84Å; F835-C837 VanDerWaalsContact C-CB 3.46Å; F835-C837 HydrophobicContact CD1-CB 4.45Å
836W35.3Very low38.1Very low223 Ų223150.9 Ų150.985%0.84578%0.776SS**  trans-134.378163.2-144.1-40.8000108.6F833F833-W836 HydrophobicContact CD1-CB 4.02Å; F833-W836 HydrophobicContact CD1-CE3 4.46Å; F833-W836 HydrophobicContact CE1-CB 3.9Å; F833-W836 HydrophobicContact CE1-CD2 4.36Å; F833-W836 AromaticContact CE1-CE3 3.85Å; F833-W836 HydrophobicContact CE1-CE3 3.85Å; F833-W836 HydrophobicContact CE1-CG 4.45Å
837C36.8Very low38.4Very low67 Ų67149.4 Ų149.445%0.45378%0.776SS.*  cis61116.429.3-59.80000114.2F835F835-C837 VanDerWaalsContact C-CB 3.46Å; F835-C837 HydrophobicContact CD1-CB 4.45Å
838F40.6Very low38.4Very low170 Ų170148.9 Ų148.975%0.74678%0.775SS**  trans73.4104.9171.4-55.5-72.5000118.5
839G32.9Very low38.9Very low81 Ų81155 Ų15584%0.83578%0.783SS**  trans-153.963149.100000108.7
840P58.9Low39.1Very low94 Ų94153.8 Ų153.861%0.6177%0.774SS**  trans-75.6174.5-177.235.6-37.4000111.6
841L34.9Very low39.4Very low149 Ų149151.4 Ų151.478%0.7877%0.772SS**  trans110.4129167.5-66.3154.3000115.2
842W43.6Very low39.7Very low324 Ų324150.2 Ų150.2100%1.22776%0.764SS**  trans72.90156-72.246.3000118.1

Retrieved 842 of 842 residues in 1769.9 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).