A0A096LUU9_POEFO Loading...

Eukaryotic translation initiation factor 2 subunit 1

AlphaFold DB , UniProt , Accession A0A096LUU9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 315 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
1M34.5Very low56.8Low233 Ų23370.8 Ų70.8100%1.14839%0.387SS*.  0119.40-70.3175.4178.800106.8G3M1-G3 PolarHBondContact O-N 3.08Å; M1-G3 VanDerWaalsContact O-N 3.1Å
2P39.1Very low57.6Low126 Ų12679.3 Ų79.382%0.81841%0.409SS*.  trans-64.6114.9176.828.1-29.7000106.6L4P2-L4 PolarHBondContact O-N 3.24Å
3G46.3Very low58.7Low50 Ų5076.6 Ų76.652%0.51539%0.392SS..  trans-68.6116.1177.600000107.8M1 S5M1-G3 PolarHBondContact O-N 3.08Å; M1-G3 VanDerWaalsContact O-N 3.1Å; G3-S5 PolarHBondContact O-N 2.95Å; G3-S5 VanDerWaalsContact O-N 3.12Å
4L56.1Low60.1Low42 Ų4271.5 Ų71.522%0.2237%0.367CS..  trans-54.4121.1168.4-82.178.7000107.6P2 Y109 Y121 D124 L127P2-L4 PolarHBondContact O-N 3.24Å; L4-Y109 PolarHBondContact O-OH 2.8Å; L4-Y121 WeakPolarHBondContact CD2-O 3.46Å; L4-D124 WeakPolarHBondContact CA-OD1 3.4Å; L4-L127 HydrophobicContact CB-CD2 4.03Å; L4-L127 HydrophobicContact CD2-CB 4.45Å
5S58.4Low61.5Low33 Ų3376.5 Ų76.523%0.23139%0.388CS..  trans-132.2110.3-174.7-176.90000108.8G3 N40 Y109 D124G3-S5 PolarHBondContact O-N 2.95Å; G3-S5 VanDerWaalsContact O-N 3.12Å; S5-N40 WeakPolarHBondContact CB-OD1 3.37Å; S5-N40 PolarHBondContact O-OD1 3.08Å; S5-N40 PolarHBondContact OG-OD1 3.13Å; S5-Y109 WeakPolarHBondContact CA-OH 3.25Å; S5-D124 PolarHBondContact N-OD1 3.14Å
6C59.6Low62.9Low6 Ų676.8 Ų76.84%0.04140%0.395CS..  trans-108.3150.4175.4-170.50000110.4Y109 L127 Y131C6-Y109 WeakPolarHBondContact O-CE2 3.36Å; C6-L127 HydrophobicContact CB-CD2 3.66Å; C6-L127 HydrophobicContact CB-CG 3.84Å; C6-Y131 HydrophobicContact CB-CD2 4.32Å; C6-Y131 HydrophobicContact CB-CE2 4.25Å
7R66.4Low64.1Low53 Ų5381.8 Ų81.820%0.242%0.416CS..  trans-64.9143.9169.556.3-175146.2163.7-6.3110.4Y9 Q10 N40 E128 W136R7-Y9 WeakPolarHBondContact CD-O 3.39Å; R7-Y9 WeakPolarHBondContact CG-O 3.45Å; R7-Q10 PolarHBondContact NH1-O 2.87Å; R7-N40 HydrophobicContact CB-CB 4.31Å; R7-E128 IonicContact CZ-OE2 3.45Å; R7-E128 IonicContact NE-OE2 3.92Å; R7-E128 PolarHBondContact NE-OE2 3.26Å; R7-E128 IonicContact NH2-OE1 3.75Å; R7-E128 PolarHBondContact NH2-OE1 3.24Å; R7-E128 IonicContact NH2-OE2 2.82Å; R7-E128 PolarHBondContact NH2-OE2 3.16Å; R7-W136 HydrophobicContact CG-CH2 4.31Å; R7-W136 HydrophobicContact CG-CZ2 3.8Å
8F64.8Low65.2Low27 Ų2779.9 Ų79.912%0.11841%0.407CS..SBendtrans-77-35.1-177.3-74.6-135.2000110.8E38 S105 K106 Y109 W136F8-E38 HydrophobicContact CB-CB 4.5Å; F8-E38 VanDerWaalsContact CB-O 3.26Å; F8-E38 WeakPolarHBondContact CB-O 3.21Å; F8-E38 WeakPolarHBondContact CD2-O 3.45Å; F8-E38 PolarHBondContact N-O 2.74Å; F8-S105 WeakPolarHBondContact CE1-O 3.38Å; F8-K106 HydrophobicContact CE1-CB 4.46Å; F8-Y109 AromaticContact CD2-CD2 3.75Å; F8-Y109 HydrophobicContact CD2-CD2 3.75Å; F8-Y109 HydrophobicContact CD2-CE2 4.29Å; F8-Y109 HydrophobicContact CD2-CG 4.4Å; F8-Y109 HydrophobicContact CE1-CD2 4.36Å; F8-Y109 HydrophobicContact CE1-CG 4.1Å; F8-Y109 HydrophobicContact CE2-CD1 4.28Å; F8-Y109 AromaticContact CE2-CD2 3.25Å; F8-Y109 HydrophobicContact CE2-CD2 3.25Å; F8-Y109 AromaticContact CE2-CE2 3.74Å; F8-Y109 HydrophobicContact CE2-CE2 3.74Å; F8-Y109 AromaticContact CE2-CG 3.6Å; F8-Y109 HydrophobicContact CE2-CG 3.6Å; F8-Y109 HydrophobicContact CG-CD2 4.47Å; F8-Y109 VanDerWaalsContact CZ-CB 3.46Å; F8-Y109 HydrophobicContact CZ-CD1 4.01Å; F8-Y109 AromaticContact CZ-CD2 3.59Å; F8-Y109 HydrophobicContact CZ-CD2 3.59Å; F8-Y109 HydrophobicContact CZ-CE2 4.39Å; F8-Y109 AromaticContact CZ-CG 3.4Å; F8-Y109 HydrophobicContact CZ-CG 3.4Å; F8-W136 PolarHBondContact O-NE1 3.39Å
9Y67.3Low66.2Low8 Ų876.5 Ų76.53%0.03139%0.391CS..SBendtrans-111.6155.9-176.9-51.2-67.5000112.4R7 H11 E38 Y39 K101 W136 P145R7-Y9 WeakPolarHBondContact CD-O 3.39Å; R7-Y9 WeakPolarHBondContact CG-O 3.45Å; Y9-H11 VanDerWaalsContact C-N 3.28Å; Y9-H11 PolarHBondContact O-N 3.37Å; Y9-E38 HydrophobicContact CD2-CB 4.35Å; Y9-E38 HydrophobicContact CE2-CB 3.78Å; Y9-E38 HydrophobicContact CE2-CG 4.26Å; Y9-E38 VanDerWaalsContact CE2-OE1 3.28Å; Y9-E38 WeakPolarHBondContact CE2-OE1 3.22Å; Y9-E38 PolarHBondContact OH-OE1 3.46Å; Y9-Y39 AromaticContact CD2-CE1 3.88Å; Y9-Y39 HydrophobicContact CD2-CE1 3.88Å; Y9-Y39 HydrophobicContact CD2-CE2 4.02Å; Y9-Y39 AromaticContact CD2-CZ 3.57Å; Y9-Y39 HydrophobicContact CE2-CE2 4.23Å; Y9-K101 WeakPolarHBondContact OH-CE 3.42Å; Y9-W136 VanDerWaalsContact C-NE1 3.32Å; Y9-P145 HydrophobicContact CD1-CB 4.15Å; Y9-P145 HydrophobicContact CE1-CB 4.06Å
10Q63.9Low67.2Low83 Ų8372.7 Ų72.739%0.38837%0.371SS..SBendtrans-60.2-39.8176.1-172.6178.71300111.4R7 R12 W136R7-Q10 PolarHBondContact NH1-O 2.87Å; Q10-R12 PolarHBondContact O-N 3.38Å; Q10-W136 HydrophobicContact CB-CB 4.2Å; Q10-W136 HydrophobicContact CB-CD2 3.69Å; Q10-W136 HydrophobicContact CB-CE3 3.88Å; Q10-W136 HydrophobicContact CB-CG 3.78Å; Q10-W136 HydrophobicContact CG-CD2 4.05Å; Q10-W136 HydrophobicContact CG-CE3 3.71Å; Q10-W136 HydrophobicContact CG-CG 4.38Å; Q10-W136 HydrophobicContact CG-CZ3 4.29Å
11H68.8Low68.1Low118 Ų11869.8 Ų69.855%0.54636%0.356SS..SBendtrans-69.6127.1176.5-63.7-67.6000111.1Y9 F13 Y39Y9-H11 VanDerWaalsContact C-N 3.28Å; Y9-H11 PolarHBondContact O-N 3.37Å; H11-F13 PolarHBondContact O-N 2.89Å; H11-Y39 WeakPolarHBondContact O-CD1 3.39Å; H11-Y39 VanDerWaalsContact O-CE1 3.3Å; H11-Y39 WeakPolarHBondContact O-CE1 3.35Å
12R65.8Low70.7Confident173 Ų17358.7 Ų58.765%0.65330%0.301SS*.SBendtrans-68.8-23.7178.5-168.8173.5-178.4176.11.4113Q10 I42Q10-R12 PolarHBondContact O-N 3.38Å; R12-I42 WeakPolarHBondContact O-CD1 3.36Å
13F72.6Confident73.1Confident44 Ų4454.5 Ų54.519%0.19327%0.272CS..SBendtrans-132.5146178.9-63.5-81.1000109.8H11 I42 V76 K78 I83H11-F13 PolarHBondContact O-N 2.89Å; F13-I42 HydrophobicContact CD1-CD1 4.32Å; F13-I42 HydrophobicContact CE1-CD1 4.29Å; F13-V76 HydrophobicContact CB-CG1 3.94Å; F13-V76 HydrophobicContact CD1-CG1 4.18Å; F13-V76 HydrophobicContact CG-CG1 4.21Å; F13-K78 HydrophobicContact CD2-CG 4.36Å; F13-I83 HydrophobicContact CD1-CD1 4.35Å
14P78.1Confident75.1Confident5 Ų552.1 Ų52.13%0.03225%0.247CC..PPolyproline II helixtrans-66.1161.3171.829.3-35.2000111.4V20 L36 Y39 V73 I83P14-V20 HydrophobicContact CB-CG1 4.23Å; P14-L36 HydrophobicContact CG-CD2 3.9Å; P14-Y39 HydrophobicContact CB-CE1 4.39Å; P14-Y39 HydrophobicContact CB-CE2 3.82Å; P14-Y39 HydrophobicContact CG-CE2 4.25Å; P14-V73 HydrophobicContact CB-CG2 3.93Å; P14-V73 HydrophobicContact CG-CG1 4.44Å; P14-V73 HydrophobicContact CG-CG2 3.77Å; P14-I83 HydrophobicContact CG-CD1 4.17Å
15E80.9Confident76.7Confident146 Ų14657.6 Ų57.668%0.68227%0.265SS*.PPolyproline II helixtrans-84.8160.7171.4-63.8-166.8109.800111.1D18 V73E15-D18 WeakPolarHBondContact O-CB 3.22Å; E15-D18 PolarHBondContact O-N 2.94Å; E15-V73 WeakPolarHBondContact O-CB 3.46Å
16V84.4Confident78Confident82 Ų8258.6 Ų58.650%0.49727%0.272SS..THydrogen-bonded Turntrans-66.4141.4175.1177.50000108.7D18 I74V16-D18 PolarHBondContact O-N 2.9Å; V16-I74 WeakPolarHBondContact CG1-O 3.28Å
17E82.5Confident79.2Confident161 Ų16160.7 Ų60.775%0.75228%0.282SS*.THydrogen-bonded Turntrans71.51.8-173.5-57.3-179.2103.500116V72 V73E17-V72 WeakPolarHBondContact O-CG2 3.46Å; E17-V73 WeakPolarHBondContact CA-O 3.25Å; E17-V73 PolarHBondContact N-O 3.26Å
18D84Confident80.1Confident48 Ų4860 Ų6026%0.25729%0.289SS..  trans-75.1143.8174-160.721.3000111.6E15 V16 V72 V73 K101E15-D18 WeakPolarHBondContact O-CB 3.22Å; E15-D18 PolarHBondContact O-N 2.94Å; V16-D18 PolarHBondContact O-N 2.9Å; D18-V72 WeakPolarHBondContact O-CA 3.45Å; D18-V73 PolarHBondContact O-N 2.93Å; D18-K101 IonicContact OD1-NZ 3.07Å; D18-K101 IonicContact OD2-NZ 3.48Å
19V84.5Confident80.6Confident16 Ų1667.8 Ų67.810%0.09733%0.325CS..EExtended strand (participates in β ladder)trans-99.1121.3179.2-172.60000108.4V71 V72 V90 E94 C98V19-V71 WeakPolarHBondContact CA-O 3.42Å; V19-V72 HydrophobicContact CG2-CB 4.35Å; V19-V72 HydrophobicContact CG2-CG2 4.25Å; V19-V90 HydrophobicContact CG1-CG1 4.42Å; V19-E94 HydrophobicContact CG2-CB 4.43Å; V19-C98 HydrophobicContact CB-CB 4.45Å; V19-C98 HydrophobicContact CG1-CB 3.74Å
20V85.6Confident81.1Confident0 Ų075 Ų750%036%0.361CS..EExtended strand (participates in β ladder)trans-129.5151.8-173.1-62.80000111.1P14 V22 L36 E38 Y39 V71 V73 L85P14-V20 HydrophobicContact CB-CG1 4.23Å; V20-V22 HydrophobicContact CG2-CG1 4.1Å; V20-L36 HydrophobicContact CG2-CD2 4.11Å; V20-L36 HydrophobicContact CG2-CG 4.43Å; V20-E38 WeakPolarHBondContact CA-OE2 3.26Å; V20-Y39 HydrophobicContact CG1-CE2 4Å; V20-V71 HydrophobicContact CG2-CG2 4.18Å; V20-V71 PolarHBondContact N-O 2.89Å; V20-V71 PolarHBondContact O-N 3.33Å; V20-V73 HydrophobicContact CG1-CG2 4.45Å; V20-V73 HydrophobicContact CG2-CG2 3.96Å; V20-L85 HydrophobicContact CG2-CD2 4.27Å
21M86.4Confident81.9Confident11 Ų1171.1 Ų71.15%0.05434%0.343CS..EExtended strand (participates in β ladder)trans-91.3123.8177.2-170.863.2139.200110.1E38 N68 E69 C70 F102M21-E38 PolarHBondContact N-OE2 2.99Å; M21-N68 HydrophobicContact CE-CB 3.52Å; M21-N68 HydrophobicContact CG-CB 4.24Å; M21-N68 HydrophobicContact SD-CB 3.87Å; M21-E69 VanDerWaalsContact SD-C 3.57Å; M21-C70 VanDerWaalsContact SD-SG 3.64Å; M21-F102 HydrophobicContact CB-CB 4.1Å; M21-F102 HydrophobicContact CB-CD1 4.39Å; M21-F102 HydrophobicContact CB-CD2 3.67Å; M21-F102 HydrophobicContact CB-CE2 4.21Å; M21-F102 HydrophobicContact CB-CG 3.78Å; M21-F102 HydrophobicContact CG-CB 4.44Å; M21-F102 HydrophobicContact CG-CD1 3.96Å; M21-F102 HydrophobicContact CG-CD2 4.03Å; M21-F102 HydrophobicContact CG-CE1 4.21Å; M21-F102 HydrophobicContact CG-CE2 4.3Å; M21-F102 HydrophobicContact CG-CG 3.86Å; M21-F102 HydrophobicContact CG-CZ 4.39Å
22V88.9Confident82.7Confident0 Ų065.7 Ų65.70%032%0.319CS..EExtended strand (participates in β ladder)trans-122.3145.8-176.6-56.40000112V20 V34 S35 L36 N68 E69 V71 L85V20-V22 HydrophobicContact CG2-CG1 4.1Å; V22-V34 HydrophobicContact CB-CB 3.95Å; V22-V34 HydrophobicContact CB-CG2 3.87Å; V22-V34 HydrophobicContact CG1-CG2 4.17Å; V22-V34 HydrophobicContact CG2-CB 3.88Å; V22-V34 HydrophobicContact CG2-CG1 4.14Å; V22-V34 HydrophobicContact CG2-CG2 3.86Å; V22-S35 CarbonylContact C-O 3.57Å; V22-S35 WeakPolarHBondContact CA-O 3.48Å; V22-L36 HydrophobicContact CG1-CD1 4.27Å; V22-L36 HydrophobicContact CG1-CG 3.88Å; V22-N68 CarbonylContact O-C 3.55Å; V22-N68 WeakPolarHBondContact O-CA 3.41Å; V22-E69 HydrophobicContact CG2-CB 4.47Å; V22-E69 WeakPolarHBondContact CG2-O 3.21Å; V22-E69 PolarHBondContact N-O 2.83Å; V22-E69 PolarHBondContact O-N 3.24Å; V22-V71 HydrophobicContact CB-CG2 4.13Å; V22-V71 HydrophobicContact CG1-CG2 3.45Å; V22-V71 VanDerWaalsContact CG1-CG2 3.45Å; V22-V71 HydrophobicContact CG2-CB 4.46Å; V22-V71 HydrophobicContact CG2-CG1 4.03Å; V22-V71 HydrophobicContact CG2-CG2 3.54Å; V22-L85 HydrophobicContact CG1-CD1 4.15Å
23N89.6Confident83.8Confident38 Ų3862.2 Ų62.220%0.20331%0.307CS..EExtended strand (participates in β ladder)trans-99.3132.4171.1-171.2-98.3000109.8R25 V34 S35 L37 G66 N68N23-R25 PolarHBondContact O-N 2.96Å; N23-V34 CarbonylContact O-C 3.58Å; N23-V34 WeakPolarHBondContact O-CA 3.38Å; N23-V34 WeakPolarHBondContact O-CB 3.25Å; N23-S35 PolarHBondContact N-O 3.42Å; N23-S35 PolarHBondContact O-N 3.14Å; N23-L37 HydrophobicContact CB-CD1 3.76Å; N23-L37 HydrophobicContact CB-CG 4.29Å; N23-L37 VanDerWaalsContact N-CD1 3.34Å; N23-G66 VanDerWaalsContact ND2-C 3.35Å; N23-G66 PolarHBondContact ND2-O 3.24Å; N23-N68 PolarHBondContact ND2-OD1 3.24Å
24V88.8Confident84.6Confident0 Ų060.1 Ų60.10%030%0.298CS..EExtended strand (participates in β ladder)trans-80.7115.8-179.9179.30000110I27 V34 I63 G66 R67 E69V24-I27 HydrophobicContact CG1-CG1 4.22Å; V24-V34 HydrophobicContact CB-CG1 4.35Å; V24-V34 HydrophobicContact CG2-CG1 3.92Å; V24-I63 HydrophobicContact CB-CG2 4.07Å; V24-I63 HydrophobicContact CG1-CG2 3.52Å; V24-I63 HydrophobicContact CG2-CD1 4.39Å; V24-I63 HydrophobicContact CG2-CG2 3.61Å; V24-G66 PolarHBondContact O-N 3.18Å; V24-R67 PolarHBondContact N-O 3.39Å; V24-E69 HydrophobicContact CG2-CG 4.41Å
25R88.3Confident85Confident158 Ų15860.1 Ų60.160%0.59630%0.298SS*.EExtended strand (participates in β ladder)trans-87.7-50.6178.8-107.7-157.3-178.4-176.13112.7N23 Y33 I65N23-R25 PolarHBondContact O-N 2.96Å; R25-Y33 PolarHBondContact N-O 3.48Å; R25-I65 VanDerWaalsContact O-CG2 3.31Å; R25-I65 WeakPolarHBondContact O-CG2 3.48Å
26S86.4Confident85.2Confident53 Ų5353.2 Ų53.237%0.37127%0.265SS..EExtended strand (participates in β ladder)trans-149.7154.2-176.965.20000111.1Y33S26-Y33 PolarHBondContact N-O 3.05Å; S26-Y33 PolarHBondContact O-N 3.45Å; S26-Y33 WeakPolarHBondContact OG-CB 3.4Å
27I85Confident84.9Confident50 Ų5051.3 Ų51.326%0.25625%0.252SS..EExtended strand (participates in β ladder)trans-117.6123178.5-54172.5000106.4V24 I59 I63 I65V24-I27 HydrophobicContact CG1-CG1 4.22Å; I27-I59 HydrophobicContact CG2-CG1 4.06Å; I27-I63 HydrophobicContact CD1-CG2 4Å; I27-I63 HydrophobicContact CG1-CG2 4.33Å; I27-I65 HydrophobicContact CD1-CG1 4.12Å; I27-I65 HydrophobicContact CG1-CG1 4.13Å
28A84.7Confident84.5Confident40 Ų4043.7 Ų43.733%0.33122%0.217SC..  trans-114.6169.4176.900000110.6M30 G31 Y33A28-M30 VanDerWaalsContact C-N 3.26Å; A28-M30 PolarHBondContact O-N 2.89Å; A28-G31 CarbonylContact C-O 3.59Å; A28-G31 WeakPolarHBondContact CA-O 3.26Å; A28-G31 PolarHBondContact N-O 3.1Å; A28-G31 PolarHBondContact O-N 3.24Å; A28-Y33 HydrophobicContact CB-CD2 4.27Å; A28-Y33 HydrophobicContact CB-CE2 3.85Å
29E75.9Confident84Confident190 Ų19042 Ų4289%0.88821%0.207SC*.SBendtrans-65.9-27.8179.6-69.1-176.893.900113.1L48E29-L48 VanDerWaalsContact O-CD1 3.27Å; E29-L48 WeakPolarHBondContact O-CD1 3.39Å
30M76.9Confident83.5Confident158 Ų15844.9 Ų44.978%0.77822%0.222SC*.SBendtrans-93-14.7178.9-67.9-168.2174.900114.4A28 M45 L48A28-M30 VanDerWaalsContact C-N 3.26Å; A28-M30 PolarHBondContact O-N 2.89Å; M30-M45 HydrophobicContact CB-CE 4.17Å; M30-L48 VanDerWaalsContact O-CD1 3.29Å; M30-L48 WeakPolarHBondContact O-CD1 3.48Å
31G82Confident83.2Confident2 Ų248.4 Ų48.42%0.02124%0.241CC..EExtended strand (participates in β ladder)trans174178.8-177.900000113.7A28 I46A28-G31 CarbonylContact C-O 3.59Å; A28-G31 WeakPolarHBondContact CA-O 3.26Å; A28-G31 PolarHBondContact N-O 3.1Å; A28-G31 PolarHBondContact O-N 3.24Å; G31-I46 CarbonylContact C-O 3.56Å; G31-I46 WeakPolarHBondContact CA-O 3.32Å
32A85.7Confident83Confident5 Ų549.7 Ų49.74%0.04125%0.247CC..EExtended strand (participates in β ladder)trans-103.1127.2168.700000109.7I46 I63A32-I46 HydrophobicContact CB-CB 4.41Å; A32-I46 PolarHBondContact N-O 3.3Å; A32-I46 PolarHBondContact O-N 2.92Å; A32-I63 HydrophobicContact CB-CD1 4.47Å
33Y88.9Confident82.8Confident99 Ų9955.6 Ų55.639%0.38828%0.275SS..EExtended strand (participates in β ladder)trans-85.8127.1170.6-66.5-84.1000109R25 S26 A28R25-Y33 PolarHBondContact N-O 3.48Å; S26-Y33 PolarHBondContact N-O 3.05Å; S26-Y33 PolarHBondContact O-N 3.45Å; S26-Y33 WeakPolarHBondContact OG-CB 3.4Å; A28-Y33 HydrophobicContact CB-CD2 4.27Å; A28-Y33 HydrophobicContact CB-CE2 3.85Å
34V89.3Confident82.7Confident1 Ų154 Ų541%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-128.1155.5-177.3-55.20000109.8V22 N23 V24 G44 I46 L85V22-V34 HydrophobicContact CB-CB 3.95Å; V22-V34 HydrophobicContact CB-CG2 3.87Å; V22-V34 HydrophobicContact CG1-CG2 4.17Å; V22-V34 HydrophobicContact CG2-CB 3.88Å; V22-V34 HydrophobicContact CG2-CG1 4.14Å; V22-V34 HydrophobicContact CG2-CG2 3.86Å; N23-V34 CarbonylContact O-C 3.58Å; N23-V34 WeakPolarHBondContact O-CA 3.38Å; N23-V34 WeakPolarHBondContact O-CB 3.25Å; V24-V34 HydrophobicContact CB-CG1 4.35Å; V24-V34 HydrophobicContact CG2-CG1 3.92Å; V34-G44 PolarHBondContact N-O 3.22Å; V34-G44 PolarHBondContact O-N 3.38Å; V34-I46 HydrophobicContact CG1-CD1 3.52Å; V34-I46 HydrophobicContact CG1-CG1 4.14Å; V34-I46 HydrophobicContact CG2-CD1 4.23Å; V34-I46 HydrophobicContact CG2-CG1 4.22Å; V34-L85 HydrophobicContact CG2-CD1 3.21Å
35S87Confident82.7Confident5 Ų556.1 Ų56.14%0.03528%0.278CS..EExtended strand (participates in β ladder)trans-113126.8175.6-61.70000108.9V22 N23 L37 I42V22-S35 CarbonylContact C-O 3.57Å; V22-S35 WeakPolarHBondContact CA-O 3.48Å; N23-S35 PolarHBondContact N-O 3.42Å; N23-S35 PolarHBondContact O-N 3.14Å; S35-L37 PolarHBondContact O-N 2.87Å; S35-I42 WeakPolarHBondContact CA-O 3.35Å
36L84.8Confident82.7Confident0 Ų048.6 Ų48.60%025%0.249CC..EExtended strand (participates in β ladder)trans-76.9108.5176.1-72.174.9000108.8P14 V20 V22 E38 Y39 N41 I42 I83 L85P14-L36 HydrophobicContact CG-CD2 3.9Å; V20-L36 HydrophobicContact CG2-CD2 4.11Å; V20-L36 HydrophobicContact CG2-CG 4.43Å; V22-L36 HydrophobicContact CG1-CD1 4.27Å; V22-L36 HydrophobicContact CG1-CG 3.88Å; L36-E38 PolarHBondContact O-N 3.21Å; L36-Y39 HydrophobicContact CB-CD2 4.31Å; L36-Y39 HydrophobicContact CD2-CD2 3.92Å; L36-Y39 PolarHBondContact O-N 3.02Å; L36-N41 WeakPolarHBondContact O-CA 3.39Å; L36-N41 PolarHBondContact O-N 2.74Å; L36-I42 WeakPolarHBondContact CD1-O 3.14Å; L36-I42 PolarHBondContact N-O 3.42Å; L36-I83 HydrophobicContact CD1-CD1 4.11Å; L36-I83 HydrophobicContact CD2-CD1 3.81Å; L36-L85 HydrophobicContact CD1-CD1 4.11Å
37L78.6Confident82.7Confident43 Ų4349.5 Ų49.523%0.22525%0.249CC..G310 helixtrans-65.2-33.4-176.5-63.895.9000111.8N23 S35 Y39 F102N23-L37 HydrophobicContact CB-CD1 3.76Å; N23-L37 HydrophobicContact CB-CG 4.29Å; N23-L37 VanDerWaalsContact N-CD1 3.34Å; S35-L37 PolarHBondContact O-N 2.87Å; L37-Y39 VanDerWaalsContact C-N 3.3Å; L37-Y39 PolarHBondContact O-N 3.01Å; L37-F102 HydrophobicContact CB-CE2 3.87Å; L37-F102 HydrophobicContact CB-CZ 4.14Å; L37-F102 HydrophobicContact CD2-CZ 4.05Å; L37-F102 HydrophobicContact CG-CZ 4.5Å
38E72.9Confident82.4Confident0 Ų050.2 Ų50.20%025%0.253CS..G310 helixtrans-71-25.6-175.9-63.7173.785.300113F8 Y9 V20 M21 L36 F102F8-E38 HydrophobicContact CB-CB 4.5Å; F8-E38 VanDerWaalsContact CB-O 3.26Å; F8-E38 WeakPolarHBondContact CB-O 3.21Å; F8-E38 WeakPolarHBondContact CD2-O 3.45Å; F8-E38 PolarHBondContact N-O 2.74Å; Y9-E38 HydrophobicContact CD2-CB 4.35Å; Y9-E38 HydrophobicContact CE2-CB 3.78Å; Y9-E38 HydrophobicContact CE2-CG 4.26Å; Y9-E38 VanDerWaalsContact CE2-OE1 3.28Å; Y9-E38 WeakPolarHBondContact CE2-OE1 3.22Å; Y9-E38 PolarHBondContact OH-OE1 3.46Å; V20-E38 WeakPolarHBondContact CA-OE2 3.26Å; M21-E38 PolarHBondContact N-OE2 2.99Å; L36-E38 PolarHBondContact O-N 3.21Å; E38-F102 HydrophobicContact CG-CD2 3.67Å; E38-F102 HydrophobicContact CG-CE2 3.96Å
39Y73.4Confident82.3Confident12 Ų1253 Ų535%0.04727%0.27CS..G310 helixtrans-112.241.6-174.7-64-91.9000111.9Y9 H11 P14 V20 L36 L37 N41 I42Y9-Y39 AromaticContact CD2-CE1 3.88Å; Y9-Y39 HydrophobicContact CD2-CE1 3.88Å; Y9-Y39 HydrophobicContact CD2-CE2 4.02Å; Y9-Y39 AromaticContact CD2-CZ 3.57Å; Y9-Y39 HydrophobicContact CE2-CE2 4.23Å; H11-Y39 WeakPolarHBondContact O-CD1 3.39Å; H11-Y39 VanDerWaalsContact O-CE1 3.3Å; H11-Y39 WeakPolarHBondContact O-CE1 3.35Å; P14-Y39 HydrophobicContact CB-CE1 4.39Å; P14-Y39 HydrophobicContact CB-CE2 3.82Å; P14-Y39 HydrophobicContact CG-CE2 4.25Å; V20-Y39 HydrophobicContact CG1-CE2 4Å; L36-Y39 HydrophobicContact CB-CD2 4.31Å; L36-Y39 HydrophobicContact CD2-CD2 3.92Å; L36-Y39 PolarHBondContact O-N 3.02Å; L37-Y39 VanDerWaalsContact C-N 3.3Å; L37-Y39 PolarHBondContact O-N 3.01Å; Y39-N41 PolarHBondContact O-N 2.63Å; Y39-I42 VanDerWaalsContact O-CD1 3.24Å; Y39-I42 WeakPolarHBondContact O-CD1 3.49Å; Y39-I42 WeakPolarHBondContact O-CG1 3.36Å
40N75.3Confident82.7Confident77 Ų7745.1 Ų45.141%0.41223%0.233SC..THydrogen-bonded Turntrans61.638.7179.3-161.925000114.3S5 R7 I42S5-N40 WeakPolarHBondContact CB-OD1 3.37Å; S5-N40 PolarHBondContact O-OD1 3.08Å; S5-N40 PolarHBondContact OG-OD1 3.13Å; R7-N40 HydrophobicContact CB-CB 4.31Å; N40-I42 VanDerWaalsContact C-N 3.29Å; N40-I42 PolarHBondContact O-N 2.78Å
41N77.4Confident82.8Confident75 Ų7537.8 Ų37.840%0.40120%0.198SC..THydrogen-bonded Turntrans61.331.2177-53.7-75.7000114.6L36 Y39 E43L36-N41 WeakPolarHBondContact O-CA 3.39Å; L36-N41 PolarHBondContact O-N 2.74Å; Y39-N41 PolarHBondContact O-N 2.63Å; N41-E43 PolarHBondContact O-N 3.2Å
42I83Confident82.5Confident38 Ų3839.4 Ų39.420%0.19521%0.208CC..EExtended strand (participates in β ladder)trans-55140.5170.3-67.7164.3000109.4R12 F13 S35 L36 Y39 N40 I83R12-I42 WeakPolarHBondContact O-CD1 3.36Å; F13-I42 HydrophobicContact CD1-CD1 4.32Å; F13-I42 HydrophobicContact CE1-CD1 4.29Å; S35-I42 WeakPolarHBondContact CA-O 3.35Å; L36-I42 WeakPolarHBondContact CD1-O 3.14Å; L36-I42 PolarHBondContact N-O 3.42Å; Y39-I42 VanDerWaalsContact O-CD1 3.24Å; Y39-I42 WeakPolarHBondContact O-CD1 3.49Å; Y39-I42 WeakPolarHBondContact O-CG1 3.36Å; N40-I42 VanDerWaalsContact C-N 3.29Å; N40-I42 PolarHBondContact O-N 2.78Å; I42-I83 HydrophobicContact CG2-CD1 3.74Å
43E85.6Confident81.8Confident124 Ų12447.8 Ų47.858%0.57924%0.239SC*.EExtended strand (participates in β ladder)trans-78.4131.5-179.7-59.6-174.9115.700110.5N41N41-E43 PolarHBondContact O-N 3.2Å
44G87.1Confident81.2Confident3 Ų353.3 Ų53.33%0.03126%0.259CS..EExtended strand (participates in β ladder)trans-126.5159.9172.900000110.7V34 I83V34-G44 PolarHBondContact N-O 3.22Å; V34-G44 PolarHBondContact O-N 3.38Å; G44-I83 WeakPolarHBondContact CA-O 3.38Å
45M88.4Confident80.3Confident46 Ų4665.2 Ų65.223%0.22730%0.304CS..EExtended strand (participates in β ladder)trans-123.1130.2179.6-173177.5-179.400110.2M30 I83 L85M30-M45 HydrophobicContact CB-CE 4.17Å; M45-I83 PolarHBondContact N-O 3.08Å; M45-L85 PolarHBondContact O-N 2.88Å
46I88.7Confident79.4Confident0 Ų067.9 Ų67.90%032%0.317CS..EExtended strand (participates in β ladder)trans-103.7119.1170.2-55.3166.5000108.1G31 A32 V34 L51 I63 V71 L85G31-I46 CarbonylContact C-O 3.56Å; G31-I46 WeakPolarHBondContact CA-O 3.32Å; A32-I46 HydrophobicContact CB-CB 4.41Å; A32-I46 PolarHBondContact N-O 3.3Å; A32-I46 PolarHBondContact O-N 2.92Å; V34-I46 HydrophobicContact CG1-CD1 3.52Å; V34-I46 HydrophobicContact CG1-CG1 4.14Å; V34-I46 HydrophobicContact CG2-CD1 4.23Å; V34-I46 HydrophobicContact CG2-CG1 4.22Å; I46-L51 HydrophobicContact CG2-CD1 3.78Å; I46-I63 HydrophobicContact CD1-CD1 4.23Å; I46-V71 HydrophobicContact CD1-CG1 3.84Å; I46-L85 HydrophobicContact CG1-CB 3.69Å; I46-L85 HydrophobicContact CG1-CD1 4.37Å
47L85.7Confident78.7Confident71 Ų7180.2 Ų80.237%0.37236%0.364SS..EExtended strand (participates in β ladder)trans-68.9143.9172.7-79.477.9000110.4S49 E50 L51L47-S49 PolarHBondContact O-N 3.07Å; L47-E50 CarbonylContact O-C 3.5Å; L47-E50 PolarHBondContact O-N 2.9Å; L47-L51 PolarHBondContact O-N 3.49Å
48L79.9Confident78.3Confident65 Ų6581.3 Ų81.334%0.3438%0.375SS..G310 helixtrans-58.1-35.4177.7-77.794.4000112.5E29 M30 E50 L51 I59E29-L48 VanDerWaalsContact O-CD1 3.27Å; E29-L48 WeakPolarHBondContact O-CD1 3.39Å; M30-L48 VanDerWaalsContact O-CD1 3.29Å; M30-L48 WeakPolarHBondContact O-CD1 3.48Å; L48-E50 PolarHBondContact O-N 2.94Å; L48-L51 VanDerWaalsContact O-CB 3.27Å; L48-L51 WeakPolarHBondContact O-CB 3.37Å; L48-L51 PolarHBondContact O-N 3.28Å; L48-I59 HydrophobicContact CD2-CD1 4.19Å; L48-I59 HydrophobicContact CG-CD1 4.5Å
49S82.3Confident78.2Confident99 Ų9983.5 Ų83.569%0.69239%0.386SS*.G310 helixtrans-63.4-25.3176.9-580000113.1L47L47-S49 PolarHBondContact O-N 3.07Å
50E83.1Confident78.2Confident24 Ų2487.8 Ų87.811%0.11241%0.41CS..G310 helixtrans-10312.9-179.3-69.6-68.9-174.200112.6L47 L48 I74 S86 K87 R88 R89L47-E50 CarbonylContact O-C 3.5Å; L47-E50 PolarHBondContact O-N 2.9Å; L48-E50 PolarHBondContact O-N 2.94Å; E50-I74 HydrophobicContact CG-CD1 3.96Å; E50-S86 PolarHBondContact OE2-OG 2.98Å; E50-K87 PolarHBondContact O-N 3.16Å; E50-R88 WeakPolarHBondContact O-CB 3.39Å; E50-R88 PolarHBondContact O-N 3.32Å; E50-R88 IonicContact OE1-NH2 3.91Å; E50-R88 PolarHBondContact OE1-NH2 2.84Å; E50-R88 IonicContact OE2-CZ 3.93Å; E50-R88 IonicContact OE2-NE 3.26Å; E50-R88 PolarHBondContact OE2-NE 3.33Å; E50-R88 IonicContact OE2-NH2 3.49Å; E50-R88 PolarHBondContact OE2-NH2 2.82Å; E50-R89 IonicContact OE1-CZ 3.67Å; E50-R89 IonicContact OE1-NE 2.84Å; E50-R89 IonicContact OE1-NH2 3.55Å; E50-R89 PolarHBondContact OE1-NH2 2.81Å; E50-R89 IonicContact OE2-NE 2.82Å
51L79.9Confident78.2Confident5 Ų593 Ų933%0.02643%0.429CS..SBendtrans-83.2-37.1178.9-155.179.3000113.8I46 L47 L48 I56 I59 L62 I63I46-L51 HydrophobicContact CG2-CD1 3.78Å; L47-L51 PolarHBondContact O-N 3.49Å; L48-L51 VanDerWaalsContact O-CB 3.27Å; L48-L51 WeakPolarHBondContact O-CB 3.37Å; L48-L51 PolarHBondContact O-N 3.28Å; L51-I56 HydrophobicContact CB-CD1 4.35Å; L51-I56 HydrophobicContact CD2-CD1 4.2Å; L51-I59 HydrophobicContact CD2-CD1 3.22Å; L51-I59 HydrophobicContact CD2-CG1 4.35Å; L51-L62 HydrophobicContact CD2-CB 4.25Å; L51-L62 HydrophobicContact CD2-CD1 4.19Å; L51-I63 HydrophobicContact CD1-CD1 3.26Å; L51-I63 HydrophobicContact CD1-CG1 3.85Å; L51-I63 HydrophobicContact CD2-CG1 4.43Å; L51-I63 HydrophobicContact CG-CD1 4.26Å; L51-I63 HydrophobicContact CG-CG1 4.37Å
52S75.1Confident78Confident35 Ų3592.2 Ų92.225%0.24542%0.424CS..  trans-155148.1-173.6-174.20000111.7R54S52-R54 VanDerWaalsContact C-N 3.31Å; S52-R54 PolarHBondContact OG-N 3.01Å
53R71.1Confident77.7Confident182 Ų18290.4 Ų90.469%0.68742%0.415SS*.SBendtrans-75.6-18.6174.1-62.9-177.6-172.6-1752.7112.8R88R53-R88 HydrophobicContact CB-CG 4.3Å; R53-R88 HydrophobicContact CG-CG 3.32Å; R53-R88 PolarHBondContact NE-O 3.25Å; R53-R88 PolarHBondContact NH2-O 2.91Å
54R76.4Confident77.5Confident214 Ų21491 Ų9181%0.80841%0.412SS*.SBendtrans-109.1154.2-175.6-63.7-177.8-178.4179.41.1111.1S52 I56S52-R54 VanDerWaalsContact C-N 3.31Å; S52-R54 PolarHBondContact OG-N 3.01Å; R54-I56 PolarHBondContact O-N 3.37Å
55R70.6Confident77.5Confident251 Ų25196.2 Ų96.295%0.94744%0.438SS*.  trans-57.2124.8175.5-163.7175.5-168.8176.63.7110.3
56I68.6Low77.3Confident61 Ų6196.3 Ų96.331%0.31345%0.451SS..  trans-83123.1-173-54.4166.9000108.7L51 R54 L62L51-I56 HydrophobicContact CB-CD1 4.35Å; L51-I56 HydrophobicContact CD2-CD1 4.2Å; R54-I56 PolarHBondContact O-N 3.37Å; I56-L62 HydrophobicContact CG1-CD1 4.08Å; I56-L62 HydrophobicContact CG2-CD1 3.95Å
57R70.6Confident77.2Confident259 Ų259102.6 Ų102.698%0.97748%0.475SS*.SBendtrans-84.9-35.2169.5-72.4-172.1-173.6-179.32.1112.4
58S69.8Low77.2Confident66 Ų66102.2 Ų102.246%0.46247%0.474SS..  trans-154.7130.5178.5-170.80000110.9
59I70.6Confident77.5Confident47 Ų47101.1 Ų101.124%0.24147%0.466CS..G310 helixtrans-66.9-39.4-178.6-164.978.1000112I27 L48 L51 K61 L62 I63I27-I59 HydrophobicContact CG2-CG1 4.06Å; L48-I59 HydrophobicContact CD2-CD1 4.19Å; L48-I59 HydrophobicContact CG-CD1 4.5Å; L51-I59 HydrophobicContact CD2-CD1 3.22Å; L51-I59 HydrophobicContact CD2-CG1 4.35Å; I59-K61 PolarHBondContact O-N 3.38Å; I59-L62 PolarHBondContact O-N 3.34Å; I59-I63 PolarHBondContact O-N 3.44Å; I59-I63 VanDerWaalsContact O-N 3.1Å
60N72.9Confident77.6Confident102 Ų10297.2 Ų97.255%0.54544%0.439SS..G310 helixtrans-64.9-15.1-176.2-78.7-10.5000114.3I63N60-I63 CarbonylContact C-O 3.45Å; N60-I63 WeakPolarHBondContact CA-O 3.44Å
61K75.9Confident77.9Confident185 Ų18596.1 Ų96.180%0.80443%0.434SS*.G310 helixtrans-83.7-30175.2-166.5172.1-176.7176.80112.2I59I59-K61 PolarHBondContact O-N 3.38Å
62L73.1Confident78.3Confident59 Ų5996.6 Ų96.631%0.30944%0.437SS..THydrogen-bonded Turntrans-93.2-33.1-175-71.4170.9000112.9L51 I56 I59 K87L51-L62 HydrophobicContact CD2-CB 4.25Å; L51-L62 HydrophobicContact CD2-CD1 4.19Å; I56-L62 HydrophobicContact CG1-CD1 4.08Å; I56-L62 HydrophobicContact CG2-CD1 3.95Å; I59-L62 PolarHBondContact O-N 3.34Å; L62-K87 PolarHBondContact O-NZ 3.03Å; L62-K87 VanDerWaalsContact O-NZ 3.08Å
63I76.4Confident79Confident1 Ų195 Ų951%0.00543%0.426CS..  trans-134.6135.1178.7-72-151.9000108.4V24 I27 A32 I46 L51 I59 N60V24-I63 HydrophobicContact CB-CG2 4.07Å; V24-I63 HydrophobicContact CG1-CG2 3.52Å; V24-I63 HydrophobicContact CG2-CD1 4.39Å; V24-I63 HydrophobicContact CG2-CG2 3.61Å; I27-I63 HydrophobicContact CD1-CG2 4Å; I27-I63 HydrophobicContact CG1-CG2 4.33Å; A32-I63 HydrophobicContact CB-CD1 4.47Å; I46-I63 HydrophobicContact CD1-CD1 4.23Å; L51-I63 HydrophobicContact CD1-CD1 3.26Å; L51-I63 HydrophobicContact CD1-CG1 3.85Å; L51-I63 HydrophobicContact CD2-CG1 4.43Å; L51-I63 HydrophobicContact CG-CD1 4.26Å; L51-I63 HydrophobicContact CG-CG1 4.37Å; I59-I63 PolarHBondContact O-N 3.44Å; I59-I63 VanDerWaalsContact O-N 3.1Å; N60-I63 CarbonylContact C-O 3.45Å; N60-I63 WeakPolarHBondContact CA-O 3.44Å
64R81.8Confident79.8Confident135 Ų13588.7 Ų88.751%0.50941%0.405SS..  trans-124.3140171.5-67.8-172.7179.3-176.9-1.7109.4G66 R67R64-G66 PolarHBondContact O-N 3.31Å; R64-R67 HydrophobicContact CB-CG 4.05Å; R64-R67 PolarHBondContact O-N 3.26Å
65I86.9Confident80.2Confident113 Ų11385.9 Ų85.958%0.57940%0.395SS*.THydrogen-bonded Turntrans-57135.2172.8-60.9165.9000108.9R25 I27 R67R25-I65 VanDerWaalsContact O-CG2 3.31Å; R25-I65 WeakPolarHBondContact O-CG2 3.48Å; I27-I65 HydrophobicContact CD1-CG1 4.12Å; I27-I65 HydrophobicContact CG1-CG1 4.13Å; I65-R67 VanDerWaalsContact C-N 3.31Å; I65-R67 PolarHBondContact O-N 2.97Å
66G83.8Confident81Confident49 Ų4975.1 Ų75.151%0.50536%0.357SS..THydrogen-bonded Turntrans81-2.318000000115.4N23 V24 R64N23-G66 VanDerWaalsContact ND2-C 3.35Å; N23-G66 PolarHBondContact ND2-O 3.24Å; V24-G66 PolarHBondContact O-N 3.18Å; R64-G66 PolarHBondContact O-N 3.31Å
67R85.9Confident81.8Confident131 Ų13175.1 Ų75.149%0.49436%0.357SS..  trans-88149.5172.5-71.3-165.6175.8-179.5-7.4111.7V24 R64 I65V24-R67 PolarHBondContact N-O 3.39Å; R64-R67 HydrophobicContact CB-CG 4.05Å; R64-R67 PolarHBondContact O-N 3.26Å; I65-R67 VanDerWaalsContact C-N 3.31Å; I65-R67 PolarHBondContact O-N 2.97Å
68N86.4Confident82.3Confident64 Ų6470.2 Ų70.234%0.34234%0.343SS..EExtended strand (participates in β ladder)trans-89.8135173.2-58.5-18.1000109.6M21 V22 N23M21-N68 HydrophobicContact CE-CB 3.52Å; M21-N68 HydrophobicContact CG-CB 4.24Å; M21-N68 HydrophobicContact SD-CB 3.87Å; V22-N68 CarbonylContact O-C 3.55Å; V22-N68 WeakPolarHBondContact O-CA 3.41Å; N23-N68 PolarHBondContact ND2-OD1 3.24Å
69E85.8Confident82.7Confident41 Ų4176.1 Ų76.119%0.19236%0.364CS..EExtended strand (participates in β ladder)trans-134.4142.3-179.2-67.7-74.7136.800109.2M21 V22 V24 K87M21-E69 VanDerWaalsContact SD-C 3.57Å; V22-E69 HydrophobicContact CG2-CB 4.47Å; V22-E69 WeakPolarHBondContact CG2-O 3.21Å; V22-E69 PolarHBondContact N-O 2.83Å; V22-E69 PolarHBondContact O-N 3.24Å; V24-E69 HydrophobicContact CG2-CG 4.41Å; E69-K87 WeakPolarHBondContact OE2-CE 3.48Å; E69-K87 IonicContact OE2-NZ 3.34Å; E69-K87 PolarHBondContact OE2-NZ 2.9Å
70C85.8Confident83Confident18 Ų1881.7 Ų81.712%0.12239%0.386CS..EExtended strand (participates in β ladder)trans-84.8128172.3-61.80000109.4M21 A95 C98M21-C70 VanDerWaalsContact SD-SG 3.64Å; C70-A95 HydrophobicContact CB-CB 4.18Å; C70-C98 HydrophobicContact CB-CB 4.49Å
71V88.3Confident83.1Confident0 Ų077.9 Ų77.90%037%0.371CS..EExtended strand (participates in β ladder)trans-137.6152.5-179.8-65.60000110.3V19 V20 V22 I46 L85 K87V19-V71 WeakPolarHBondContact CA-O 3.42Å; V20-V71 HydrophobicContact CG2-CG2 4.18Å; V20-V71 PolarHBondContact N-O 2.89Å; V20-V71 PolarHBondContact O-N 3.33Å; V22-V71 HydrophobicContact CB-CG2 4.13Å; V22-V71 HydrophobicContact CG1-CG2 3.45Å; V22-V71 VanDerWaalsContact CG1-CG2 3.45Å; V22-V71 HydrophobicContact CG2-CB 4.46Å; V22-V71 HydrophobicContact CG2-CG1 4.03Å; V22-V71 HydrophobicContact CG2-CG2 3.54Å; I46-V71 HydrophobicContact CD1-CG1 3.84Å; V71-L85 HydrophobicContact CB-CB 4.35Å; V71-L85 HydrophobicContact CG2-CB 4.12Å; V71-L85 HydrophobicContact CG2-CD1 4.14Å; V71-L85 HydrophobicContact CG2-CD2 3.9Å; V71-L85 HydrophobicContact CG2-CG 4.28Å; V71-K87 HydrophobicContact CG1-CB 4.13Å
72V89.4Confident83.4Confident15 Ų1576.1 Ų76.19%0.09136%0.361CS..EExtended strand (participates in β ladder)trans-97.1142.3173.3700000110.5E17 D18 V19 L85 S86 R89 V90E17-V72 WeakPolarHBondContact O-CG2 3.46Å; D18-V72 WeakPolarHBondContact O-CA 3.45Å; V19-V72 HydrophobicContact CG2-CB 4.35Å; V19-V72 HydrophobicContact CG2-CG2 4.25Å; V72-L85 CarbonylContact O-C 3.56Å; V72-L85 WeakPolarHBondContact O-CA 3.39Å; V72-S86 WeakPolarHBondContact CG1-O 3.36Å; V72-S86 PolarHBondContact N-O 3.29Å; V72-S86 PolarHBondContact O-N 2.88Å; V72-R89 HydrophobicContact CG1-CB 3.59Å; V72-R89 HydrophobicContact CG1-CG 4.46Å; V72-V90 HydrophobicContact CB-CG2 4.1Å; V72-V90 HydrophobicContact CG1-CG2 4.35Å
73V89.2Confident84.1Confident1 Ų173.4 Ų73.41%0.00635%0.346CS..EExtended strand (participates in β ladder)trans-77.4122.7173.8-178.80000109.6P14 E15 E17 D18 V20 V76 I83 L85P14-V73 HydrophobicContact CB-CG2 3.93Å; P14-V73 HydrophobicContact CG-CG1 4.44Å; P14-V73 HydrophobicContact CG-CG2 3.77Å; E15-V73 WeakPolarHBondContact O-CB 3.46Å; E17-V73 WeakPolarHBondContact CA-O 3.25Å; E17-V73 PolarHBondContact N-O 3.26Å; D18-V73 PolarHBondContact O-N 2.93Å; V20-V73 HydrophobicContact CG1-CG2 4.45Å; V20-V73 HydrophobicContact CG2-CG2 3.96Å; V73-V76 HydrophobicContact CG1-CG2 3.37Å; V73-I83 HydrophobicContact CG1-CG2 3.92Å; V73-I83 HydrophobicContact CG2-CG2 4.35Å; V73-L85 HydrophobicContact CB-CD2 4.42Å; V73-L85 HydrophobicContact CG2-CD2 3.77Å
74I88.1Confident84.7Confident50 Ų5075.5 Ų75.526%0.25636%0.357SS..EExtended strand (participates in β ladder)trans-93.8-45.8174.8-60.8168.8000110.3V16 E50 D84V16-I74 WeakPolarHBondContact CG1-O 3.28Å; E50-I74 HydrophobicContact CG-CD1 3.96Å; I74-D84 PolarHBondContact N-O 2.99Å
75R85.3Confident85Confident155 Ų15569 Ų6959%0.58533%0.333SS*.EExtended strand (participates in β ladder)trans-146.1143.2-173.3-158.3179.8-145.6-174.62.5110.3I83 D84R75-I83 WeakPolarHBondContact O-CA 3.46Å; R75-D84 HydrophobicContact CB-CB 4.01Å; R75-D84 PolarHBondContact N-O 3.41Å; R75-D84 PolarHBondContact O-N 2.87Å
76V86.2Confident85Confident25 Ų2563.7 Ų63.715%0.15231%0.305CS..EExtended strand (participates in β ladder)trans-129.1115.4176.8-178.30000108.5F13 V73 K78 I83F13-V76 HydrophobicContact CB-CG1 3.94Å; F13-V76 HydrophobicContact CD1-CG1 4.18Å; F13-V76 HydrophobicContact CG-CG1 4.21Å; V73-V76 HydrophobicContact CG1-CG2 3.37Å; V76-K78 HydrophobicContact CG1-CG 4.12Å; V76-I83 HydrophobicContact CG1-CG1 4.49Å; V76-I83 HydrophobicContact CG2-CG2 4.32Å
77D85.8Confident85.1Confident61 Ų6163.7 Ų63.733%0.32629%0.292SS..EExtended strand (participates in β ladder)trans-95.693.7171.7-83-75.7000109.2E79 K80 G81 Y82D77-E79 PolarHBondContact O-N 3.36Å; D77-K80 PolarHBondContact O-N 3.47Å; D77-G81 WeakPolarHBondContact O-CA 3.19Å; D77-G81 PolarHBondContact O-N 2.72Å; D77-Y82 PolarHBondContact N-O 2.96Å; D77-Y82 PolarHBondContact O-N 2.8Å
78K80.5Confident84.9Confident157 Ų15762 Ų6268%0.68329%0.285SS*.THydrogen-bonded Turntrans-63.3-25.7-176.2-63.6-180-177.7178.40113.7F13 V76F13-K78 HydrophobicContact CD2-CG 4.36Å; V76-K78 HydrophobicContact CG1-CG 4.12Å
79E78.6Confident84.6Confident190 Ų19064.9 Ų64.989%0.88829%0.291SS*.THydrogen-bonded Turntrans-76.9-37.8-178.9-63.1-173.196.800112.8D77D77-E79 PolarHBondContact O-N 3.36Å
80K78Confident84.4Confident163 Ų16364 Ų6471%0.70929%0.289SS*.THydrogen-bonded Turntrans-102.3-11.6-177.8-65.2-176.8178.11780113.1D77 Y82D77-K80 PolarHBondContact O-N 3.47Å; K80-Y82 VanDerWaalsContact C-N 3.27Å; K80-Y82 HydrophobicContact CB-CD2 3.36Å; K80-Y82 HydrophobicContact CB-CE2 3.64Å; K80-Y82 HydrophobicContact CB-CG 4.41Å; K80-Y82 HydrophobicContact CD-CD2 4.04Å; K80-Y82 HydrophobicContact CD-CE2 4.01Å; K80-Y82 HydrophobicContact CG-CD2 4.34Å; K80-Y82 HydrophobicContact CG-CE2 4.39Å; K80-Y82 PolarHBondContact O-N 2.84Å
81G73.6Confident84.3Confident23 Ų2365.2 Ų65.224%0.23730%0.297CS..THydrogen-bonded Turntrans72.916.6-176.900000113.9D77D77-G81 WeakPolarHBondContact O-CA 3.19Å; D77-G81 PolarHBondContact O-N 2.72Å
82Y82.8Confident83.9Confident148 Ų14870.1 Ų70.158%0.5833%0.329SS*.EExtended strand (participates in β ladder)trans-84.8134.9176.9-67.4-64.6000110.8D77 K80D77-Y82 PolarHBondContact N-O 2.96Å; D77-Y82 PolarHBondContact O-N 2.8Å; K80-Y82 VanDerWaalsContact C-N 3.27Å; K80-Y82 HydrophobicContact CB-CD2 3.36Å; K80-Y82 HydrophobicContact CB-CE2 3.64Å; K80-Y82 HydrophobicContact CB-CG 4.41Å; K80-Y82 HydrophobicContact CD-CD2 4.04Å; K80-Y82 HydrophobicContact CD-CE2 4.01Å; K80-Y82 HydrophobicContact CG-CD2 4.34Å; K80-Y82 HydrophobicContact CG-CE2 4.39Å; K80-Y82 PolarHBondContact O-N 2.84Å
83I87Confident83.6Confident1 Ų176 Ų761%0.00536%0.356CS..EExtended strand (participates in β ladder)trans-123.5116.6176.5-54.4174.3000107.8F13 P14 L36 I42 G44 M45 V73 R75 V76 L85F13-I83 HydrophobicContact CD1-CD1 4.35Å; P14-I83 HydrophobicContact CG-CD1 4.17Å; L36-I83 HydrophobicContact CD1-CD1 4.11Å; L36-I83 HydrophobicContact CD2-CD1 3.81Å; I42-I83 HydrophobicContact CG2-CD1 3.74Å; G44-I83 WeakPolarHBondContact CA-O 3.38Å; M45-I83 PolarHBondContact N-O 3.08Å; V73-I83 HydrophobicContact CG1-CG2 3.92Å; V73-I83 HydrophobicContact CG2-CG2 4.35Å; R75-I83 WeakPolarHBondContact O-CA 3.46Å; V76-I83 HydrophobicContact CG1-CG1 4.49Å; V76-I83 HydrophobicContact CG2-CG2 4.32Å; I83-L85 HydrophobicContact CG2-CD2 3.69Å; I83-L85 HydrophobicContact CG2-CG 3.99Å
84D89Confident83.2Confident45 Ų4579.8 Ų79.824%0.24137%0.373CS..EExtended strand (participates in β ladder)trans-86.1125172.6-71.6-59.9000109.6I74 R75I74-D84 PolarHBondContact N-O 2.99Å; R75-D84 HydrophobicContact CB-CB 4.01Å; R75-D84 PolarHBondContact N-O 3.41Å; R75-D84 PolarHBondContact O-N 2.87Å
85L88.9Confident82.9Confident0 Ų078.8 Ų78.80%037%0.372CS..EExtended strand (participates in β ladder)trans-120151.5-172.8-62.3165.3000110.6V20 V22 V34 L36 M45 I46 V71 V72 V73 I83V20-L85 HydrophobicContact CG2-CD2 4.27Å; V22-L85 HydrophobicContact CG1-CD1 4.15Å; V34-L85 HydrophobicContact CG2-CD1 3.21Å; L36-L85 HydrophobicContact CD1-CD1 4.11Å; M45-L85 PolarHBondContact O-N 2.88Å; I46-L85 HydrophobicContact CG1-CB 3.69Å; I46-L85 HydrophobicContact CG1-CD1 4.37Å; V71-L85 HydrophobicContact CB-CB 4.35Å; V71-L85 HydrophobicContact CG2-CB 4.12Å; V71-L85 HydrophobicContact CG2-CD1 4.14Å; V71-L85 HydrophobicContact CG2-CD2 3.9Å; V71-L85 HydrophobicContact CG2-CG 4.28Å; V72-L85 CarbonylContact O-C 3.56Å; V72-L85 WeakPolarHBondContact O-CA 3.39Å; V73-L85 HydrophobicContact CB-CD2 4.42Å; V73-L85 HydrophobicContact CG2-CD2 3.77Å; I83-L85 HydrophobicContact CG2-CD2 3.69Å; I83-L85 HydrophobicContact CG2-CG 3.99Å
86S87.4Confident82.8Confident0 Ų076.9 Ų76.90%037%0.372CS..EExtended strand (participates in β ladder)trans-135.3129.6178.3149.90000111.5E50 V72 R88 R89E50-S86 PolarHBondContact OE2-OG 2.98Å; V72-S86 WeakPolarHBondContact CG1-O 3.36Å; V72-S86 PolarHBondContact N-O 3.29Å; V72-S86 PolarHBondContact O-N 2.88Å; S86-R88 PolarHBondContact OG-N 3.4Å; S86-R89 WeakPolarHBondContact OG-CG 3.33Å; S86-R89 PolarHBondContact OG-N 3Å
87K84.7Confident82.7Confident50 Ų5081.9 Ų81.922%0.21739%0.392CS..SBendtrans-88.3-26.5169.3-173.6174.6170.2175.60111.8E50 L62 E69 V71 R89 V90E50-K87 PolarHBondContact O-N 3.16Å; L62-K87 PolarHBondContact O-NZ 3.03Å; L62-K87 VanDerWaalsContact O-NZ 3.08Å; E69-K87 WeakPolarHBondContact OE2-CE 3.48Å; E69-K87 IonicContact OE2-NZ 3.34Å; E69-K87 PolarHBondContact OE2-NZ 2.9Å; V71-K87 HydrophobicContact CG1-CB 4.13Å; K87-R89 VanDerWaalsContact C-N 3.32Å; K87-R89 PolarHBondContact O-N 2.88Å; K87-V90 PolarHBondContact O-N 3.02Å
88R82.9Confident82.4Confident95 Ų9579.2 Ų79.236%0.35838%0.379SS..THydrogen-bonded Turntrans-64.1-33.9-173.9-169.6178.165.8120-4.7113.8E50 R53 S86E50-R88 WeakPolarHBondContact O-CB 3.39Å; E50-R88 PolarHBondContact O-N 3.32Å; E50-R88 IonicContact OE1-NH2 3.91Å; E50-R88 PolarHBondContact OE1-NH2 2.84Å; E50-R88 IonicContact OE2-CZ 3.93Å; E50-R88 IonicContact OE2-NE 3.26Å; E50-R88 PolarHBondContact OE2-NE 3.33Å; E50-R88 IonicContact OE2-NH2 3.49Å; E50-R88 PolarHBondContact OE2-NH2 2.82Å; R53-R88 HydrophobicContact CB-CG 4.3Å; R53-R88 HydrophobicContact CG-CG 3.32Å; R53-R88 PolarHBondContact NE-O 3.25Å; R53-R88 PolarHBondContact NH2-O 2.91Å; S86-R88 PolarHBondContact OG-N 3.4Å
89R80.1Confident82.5Confident125 Ų12577.1 Ų77.147%0.47237%0.371SS..THydrogen-bonded Turntrans-84.6-13.9-175-66.1178.9-167-147.33.1113.8E50 V72 S86 K87 S91E50-R89 IonicContact OE1-CZ 3.67Å; E50-R89 IonicContact OE1-NE 2.84Å; E50-R89 IonicContact OE1-NH2 3.55Å; E50-R89 PolarHBondContact OE1-NH2 2.81Å; E50-R89 IonicContact OE2-NE 2.82Å; V72-R89 HydrophobicContact CG1-CB 3.59Å; V72-R89 HydrophobicContact CG1-CG 4.46Å; S86-R89 WeakPolarHBondContact OG-CG 3.33Å; S86-R89 PolarHBondContact OG-N 3Å; K87-R89 VanDerWaalsContact C-N 3.32Å; K87-R89 PolarHBondContact O-N 2.88Å; R89-S91 PolarHBondContact O-N 3.04Å
90V81.9Confident82.6Confident23 Ų2371.2 Ų71.214%0.13935%0.346CS..  trans-73.3125.7-178.9-177.60000110.3V19 V72 K87 E94 A95V19-V90 HydrophobicContact CG1-CG1 4.42Å; V72-V90 HydrophobicContact CB-CG2 4.1Å; V72-V90 HydrophobicContact CG1-CG2 4.35Å; K87-V90 PolarHBondContact O-N 3.02Å; V90-E94 HydrophobicContact CG1-CB 4.41Å; V90-A95 HydrophobicContact CG1-CB 3.98Å
91S83.5Confident82.7Confident42 Ų4264.3 Ų64.329%0.29432%0.315SS..  trans-81.7151171-55.80000110.5R89 E93 E94 A95R89-S91 PolarHBondContact O-N 3.04Å; S91-E93 PolarHBondContact O-N 3.33Å; S91-E94 WeakPolarHBondContact CB-OE2 3.37Å; S91-E94 PolarHBondContact N-OE2 3.05Å; S91-E94 PolarHBondContact O-N 3.44Å; S91-E94 PolarHBondContact OG-OE2 3.39Å; S91-A95 PolarHBondContact O-N 3.29Å
92P79.8Confident83.1Confident103 Ų10363.8 Ų63.867%0.66931%0.307SS*.Hα-helixtrans-59.4-33.9178.524.3-33.6000112.3E94 A95 I96P92-E94 VanDerWaalsContact C-N 3.34Å; P92-E94 PolarHBondContact O-N 2.79Å; P92-A95 PolarHBondContact O-N 2.99Å; P92-I96 WeakPolarHBondContact O-CD1 3.46Å; P92-I96 VanDerWaalsContact O-CG1 3.3Å; P92-I96 WeakPolarHBondContact O-CG1 3.47Å; P92-I96 PolarHBondContact O-N 2.82Å; P92-I96 VanDerWaalsContact O-N 3.14Å
93E82.3Confident83Confident139 Ų13960.3 Ų60.365%0.6530%0.301SS*.Hα-helixtrans-64.8-36.8174.9-63.1179.888.400112.6S91 K97S91-E93 PolarHBondContact O-N 3.33Å; E93-K97 WeakPolarHBondContact O-CG 3.5Å; E93-K97 PolarHBondContact O-N 3.34Å
94E81.5Confident82.7Confident80 Ų8062.5 Ų62.537%0.37431%0.31SS..Hα-helixtrans-75-35.7177.8-64.4-179.111000111.7V19 V90 S91 P92 I96 K97 C98V19-E94 HydrophobicContact CG2-CB 4.43Å; V90-E94 HydrophobicContact CG1-CB 4.41Å; S91-E94 WeakPolarHBondContact CB-OE2 3.37Å; S91-E94 PolarHBondContact N-OE2 3.05Å; S91-E94 PolarHBondContact O-N 3.44Å; S91-E94 PolarHBondContact OG-OE2 3.39Å; P92-E94 VanDerWaalsContact C-N 3.34Å; P92-E94 PolarHBondContact O-N 2.79Å; E94-I96 VanDerWaalsContact C-N 3.33Å; E94-I96 PolarHBondContact O-N 3.45Å; E94-K97 PolarHBondContact O-N 2.97Å; E94-C98 VanDerWaalsContact O-CB 3.31Å; E94-C98 WeakPolarHBondContact O-CB 3.47Å; E94-C98 PolarHBondContact O-N 2.89Å
95A81.4Confident82.2Confident29 Ų2960.8 Ų60.824%0.2430%0.302CS..Hα-helixtrans-60.3-43173.100000111.5C70 V90 S91 P92 C98 E99C70-A95 HydrophobicContact CB-CB 4.18Å; V90-A95 HydrophobicContact CG1-CB 3.98Å; S91-A95 PolarHBondContact O-N 3.29Å; P92-A95 PolarHBondContact O-N 2.99Å; A95-C98 PolarHBondContact O-N 3.35Å; A95-E99 WeakPolarHBondContact O-CB 3.47Å; A95-E99 PolarHBondContact O-N 2.79Å
96I83.8Confident81.9Confident115 Ų11566.4 Ų66.459%0.5933%0.327SS*.Hα-helixtrans-64.2-44.7177.2-64.1161.6000110.8P92 E94 C98 E99 D100P92-I96 WeakPolarHBondContact O-CD1 3.46Å; P92-I96 VanDerWaalsContact O-CG1 3.3Å; P92-I96 WeakPolarHBondContact O-CG1 3.47Å; P92-I96 PolarHBondContact O-N 2.82Å; P92-I96 VanDerWaalsContact O-N 3.14Å; E94-I96 VanDerWaalsContact C-N 3.33Å; E94-I96 PolarHBondContact O-N 3.45Å; I96-C98 VanDerWaalsContact C-N 3.33Å; I96-C98 PolarHBondContact O-N 3.22Å; I96-E99 PolarHBondContact O-N 2.9Å; I96-D100 WeakPolarHBondContact O-CB 3.36Å; I96-D100 PolarHBondContact O-N 3.19Å
97K82.1Confident81.5Confident130 Ų13068.8 Ų68.857%0.56534%0.341SS*.Hα-helixtrans-62-41176.1-70.2174-172.7175.50111.8E93 E94 D100 K101 Y147E93-K97 WeakPolarHBondContact O-CG 3.5Å; E93-K97 PolarHBondContact O-N 3.34Å; E94-K97 PolarHBondContact O-N 2.97Å; K97-D100 PolarHBondContact O-N 3.14Å; K97-K101 VanDerWaalsContact O-CB 3.32Å; K97-K101 WeakPolarHBondContact O-CB 3.46Å; K97-K101 PolarHBondContact O-N 3.15Å; K97-Y147 PolarHBondContact O-OH 3.36Å
98C79.9Confident81.2Confident6 Ų666.7 Ų66.74%0.04133%0.333CS..Hα-helixtrans-64.7-42.3176.5-175.60000111.8V19 C70 E94 A95 I96 K101 F102V19-C98 HydrophobicContact CB-CB 4.45Å; V19-C98 HydrophobicContact CG1-CB 3.74Å; C70-C98 HydrophobicContact CB-CB 4.49Å; E94-C98 VanDerWaalsContact O-CB 3.31Å; E94-C98 WeakPolarHBondContact O-CB 3.47Å; E94-C98 PolarHBondContact O-N 2.89Å; A95-C98 PolarHBondContact O-N 3.35Å; I96-C98 VanDerWaalsContact C-N 3.33Å; I96-C98 PolarHBondContact O-N 3.22Å; C98-K101 PolarHBondContact O-N 3.49Å; C98-F102 VanDerWaalsContact O-CB 3.24Å; C98-F102 WeakPolarHBondContact O-CB 3.38Å; C98-F102 PolarHBondContact O-N 3.32Å
99E82.4Confident81.1Confident113 Ų11363.6 Ų63.653%0.52832%0.321SS..Hα-helixtrans-64.9-40.5178.1-173.5170.886.100111.8A95 I96 T103A95-E99 WeakPolarHBondContact O-CB 3.47Å; A95-E99 PolarHBondContact O-N 2.79Å; I96-E99 PolarHBondContact O-N 2.9Å; E99-T103 VanDerWaalsContact O-CB 3.3Å; E99-T103 WeakPolarHBondContact O-CB 3.42Å; E99-T103 PolarHBondContact O-N 3.14Å; E99-T103 PolarHBondContact O-OG1 3.25Å
100D81.3Confident81.1Confident65 Ų6560.6 Ų60.635%0.34832%0.319SS..Hα-helixtrans-65.1-46.7174.5179.3-106.5000111.8I96 K97 F102 T103 K104 Y147I96-D100 WeakPolarHBondContact O-CB 3.36Å; I96-D100 PolarHBondContact O-N 3.19Å; K97-D100 PolarHBondContact O-N 3.14Å; D100-F102 PolarHBondContact O-N 2.99Å; D100-T103 PolarHBondContact O-N 2.98Å; D100-K104 WeakPolarHBondContact O-CB 3.06Å; D100-K104 WeakPolarHBondContact O-CG 3.17Å; D100-K104 PolarHBondContact O-N 3.46Å; D100-K104 WeakPolarHBondContact OD1-CE 3.35Å; D100-K104 IonicContact OD1-NZ 3.26Å; D100-K104 PolarHBondContact OD1-NZ 3.41Å; D100-K104 WeakPolarHBondContact OD2-CE 3.45Å; D100-K104 IonicContact OD2-NZ 3Å; D100-K104 PolarHBondContact OD2-NZ 3.15Å; D100-Y147 WeakPolarHBondContact OD1-CE1 3.47Å; D100-Y147 PolarHBondContact OD1-OH 2.88Å
101K81.1Confident81Confident18 Ų1859.7 Ų59.78%0.07831%0.313CS..Hα-helixtrans-55.7-52.1173.4-178.8-178.3172.5-168.80110.6Y9 D18 K97 C98 T103 K104 S105 P145 Y147Y9-K101 WeakPolarHBondContact OH-CE 3.42Å; D18-K101 IonicContact OD1-NZ 3.07Å; D18-K101 IonicContact OD2-NZ 3.48Å; K97-K101 VanDerWaalsContact O-CB 3.32Å; K97-K101 WeakPolarHBondContact O-CB 3.46Å; K97-K101 PolarHBondContact O-N 3.15Å; C98-K101 PolarHBondContact O-N 3.49Å; K101-T103 PolarHBondContact O-N 3.32Å; K101-K104 PolarHBondContact O-N 3.03Å; K101-S105 PolarHBondContact O-N 3.2Å; K101-S105 PolarHBondContact O-OG 3.17Å; K101-P145 VanDerWaalsContact CE-O 3.29Å; K101-P145 WeakPolarHBondContact CE-O 3.28Å; K101-Y147 HydrophobicContact CB-CE2 3.87Å; K101-Y147 HydrophobicContact CD-CE2 4.48Å; K101-Y147 HydrophobicContact CG-CD2 4.45Å; K101-Y147 HydrophobicContact CG-CE2 4.13Å
102F80.7Confident80.7Confident13 Ų1357.7 Ų57.76%0.05730%0.299CS..Hα-helixtrans-61.1-43.1-179.7-179.8-103000112.1M21 L37 E38 C98 D100 K104 S105 K106M21-F102 HydrophobicContact CB-CB 4.1Å; M21-F102 HydrophobicContact CB-CD1 4.39Å; M21-F102 HydrophobicContact CB-CD2 3.67Å; M21-F102 HydrophobicContact CB-CE2 4.21Å; M21-F102 HydrophobicContact CB-CG 3.78Å; M21-F102 HydrophobicContact CG-CB 4.44Å; M21-F102 HydrophobicContact CG-CD1 3.96Å; M21-F102 HydrophobicContact CG-CD2 4.03Å; M21-F102 HydrophobicContact CG-CE1 4.21Å; M21-F102 HydrophobicContact CG-CE2 4.3Å; M21-F102 HydrophobicContact CG-CG 3.86Å; M21-F102 HydrophobicContact CG-CZ 4.39Å; L37-F102 HydrophobicContact CB-CE2 3.87Å; L37-F102 HydrophobicContact CB-CZ 4.14Å; L37-F102 HydrophobicContact CD2-CZ 4.05Å; L37-F102 HydrophobicContact CG-CZ 4.5Å; E38-F102 HydrophobicContact CG-CD2 3.67Å; E38-F102 HydrophobicContact CG-CE2 3.96Å; C98-F102 VanDerWaalsContact O-CB 3.24Å; C98-F102 WeakPolarHBondContact O-CB 3.38Å; C98-F102 PolarHBondContact O-N 3.32Å; D100-F102 PolarHBondContact O-N 2.99Å; F102-K104 PolarHBondContact O-N 3.46Å; F102-S105 PolarHBondContact O-N 3.44Å; F102-K106 HydrophobicContact CE1-CD 4.08Å; F102-K106 HydrophobicContact CZ-CD 4.43Å; F102-K106 WeakPolarHBondContact O-CB 3.42Å; F102-K106 PolarHBondContact O-N 2.95Å
103T82.1Confident80.6Confident74 Ų7458.3 Ų58.345%0.45429%0.288SS..Hα-helixtrans-62.9-44.2178.6-61.10000111.2E99 D100 K101 K106 T107E99-T103 VanDerWaalsContact O-CB 3.3Å; E99-T103 WeakPolarHBondContact O-CB 3.42Å; E99-T103 PolarHBondContact O-N 3.14Å; E99-T103 PolarHBondContact O-OG1 3.25Å; D100-T103 PolarHBondContact O-N 2.98Å; K101-T103 PolarHBondContact O-N 3.32Å; T103-K106 PolarHBondContact O-N 3.5Å; T103-T107 PolarHBondContact O-N 2.9Å; T103-T107 PolarHBondContact O-OG1 3.3Å
104K80.6Confident80.5Confident47 Ų4755 Ų5520%0.20427%0.273CS..Hα-helixtrans-62.6-49.7176.7-74.9170.9179.1167.40112D100 K101 F102 K106 T107 V108 Y147 Y150D100-K104 WeakPolarHBondContact O-CB 3.06Å; D100-K104 WeakPolarHBondContact O-CG 3.17Å; D100-K104 PolarHBondContact O-N 3.46Å; D100-K104 WeakPolarHBondContact OD1-CE 3.35Å; D100-K104 IonicContact OD1-NZ 3.26Å; D100-K104 PolarHBondContact OD1-NZ 3.41Å; D100-K104 WeakPolarHBondContact OD2-CE 3.45Å; D100-K104 IonicContact OD2-NZ 3Å; D100-K104 PolarHBondContact OD2-NZ 3.15Å; K101-K104 PolarHBondContact O-N 3.03Å; F102-K104 PolarHBondContact O-N 3.46Å; K104-K106 VanDerWaalsContact C-N 3.29Å; K104-K106 PolarHBondContact O-N 3.46Å; K104-T107 WeakPolarHBondContact O-CB 3.4Å; K104-T107 PolarHBondContact O-N 2.89Å; K104-V108 PolarHBondContact O-N 3.23Å; K104-V108 VanDerWaalsContact O-N 3.08Å; K104-Y147 HydrophobicContact CD-CD1 4.09Å; K104-Y147 HydrophobicContact CD-CE1 4.04Å; K104-Y150 HydrophobicContact CB-CD2 4.19Å; K104-Y150 HydrophobicContact CB-CG 3.97Å; K104-Y150 HydrophobicContact CD-CD1 4.1Å; K104-Y150 HydrophobicContact CD-CG 4.33Å; K104-Y150 HydrophobicContact CG-CD1 4Å; K104-Y150 HydrophobicContact CG-CD2 4.2Å; K104-Y150 HydrophobicContact CG-CE1 4.41Å; K104-Y150 HydrophobicContact CG-CG 3.88Å
105S78.6Confident80.2Confident9 Ų951.2 Ų51.26%0.06326%0.255CS..Hα-helixtrans-67.2-31.7179.2-48.10000112F8 K101 F102 V108 Y109 G146F8-S105 WeakPolarHBondContact CE1-O 3.38Å; K101-S105 PolarHBondContact O-N 3.2Å; K101-S105 PolarHBondContact O-OG 3.17Å; F102-S105 PolarHBondContact O-N 3.44Å; S105-V108 PolarHBondContact O-N 3.45Å; S105-Y109 VanDerWaalsContact O-CB 3.31Å; S105-Y109 WeakPolarHBondContact O-CB 3.47Å; S105-Y109 PolarHBondContact O-N 3.38Å; S105-G146 VanDerWaalsContact OG-CA 3.28Å; S105-G146 WeakPolarHBondContact OG-CA 3.21Å; S105-G146 PolarHBondContact OG-O 3.35Å
106K80.8Confident79.9Confident119 Ų11950 Ų5052%0.51725%0.245SC..Hα-helixtrans-66-38.4172.5-178.3-178.7176.1-173.60112.2F8 F102 T103 K104 Y109 S110F8-K106 HydrophobicContact CE1-CB 4.46Å; F102-K106 HydrophobicContact CE1-CD 4.08Å; F102-K106 HydrophobicContact CZ-CD 4.43Å; F102-K106 WeakPolarHBondContact O-CB 3.42Å; F102-K106 PolarHBondContact O-N 2.95Å; T103-K106 PolarHBondContact O-N 3.5Å; K104-K106 VanDerWaalsContact C-N 3.29Å; K104-K106 PolarHBondContact O-N 3.46Å; K106-Y109 PolarHBondContact O-N 3.14Å; K106-S110 WeakPolarHBondContact O-CB 3.45Å; K106-S110 PolarHBondContact O-N 3.47Å
107T79.5Confident79.6Confident49 Ų4950.4 Ų50.430%0.30125%0.245SC..Hα-helixtrans-63.1-48.5174.4-60.60000110.7T103 K104 Y109 S110 I111 Y150 L184T103-T107 PolarHBondContact O-N 2.9Å; T103-T107 PolarHBondContact O-OG1 3.3Å; K104-T107 WeakPolarHBondContact O-CB 3.4Å; K104-T107 PolarHBondContact O-N 2.89Å; T107-Y109 VanDerWaalsContact C-N 3.32Å; T107-Y109 PolarHBondContact O-N 3.41Å; T107-S110 PolarHBondContact O-N 2.92Å; T107-I111 HydrophobicContact CG2-CD1 4.06Å; T107-I111 VanDerWaalsContact O-CG1 3.31Å; T107-I111 WeakPolarHBondContact O-CG1 3.47Å; T107-I111 PolarHBondContact O-N 2.94Å; T107-Y150 HydrophobicContact CG2-CE2 4.31Å; T107-L184 HydrophobicContact CG2-CD1 3.7Å
108V79.3Confident79.5Confident7 Ų747.9 Ų47.94%0.04224%0.24CC..Hα-helixtrans-57.5-47.9174.2176.20000110.1K104 S105 S110 I111 L112 A149 Y150 F153K104-V108 PolarHBondContact O-N 3.23Å; K104-V108 VanDerWaalsContact O-N 3.08Å; S105-V108 PolarHBondContact O-N 3.45Å; V108-S110 VanDerWaalsContact C-N 3.31Å; V108-S110 PolarHBondContact O-N 2.85Å; V108-I111 PolarHBondContact O-N 3.34Å; V108-I111 VanDerWaalsContact O-N 3.1Å; V108-L112 HydrophobicContact CG1-CD1 3.67Å; V108-L112 WeakPolarHBondContact O-CD1 3.13Å; V108-L112 PolarHBondContact O-N 3.28Å; V108-A149 HydrophobicContact CG1-CB 4.31Å; V108-A149 HydrophobicContact CG2-CB 4.34Å; V108-Y150 HydrophobicContact CG2-CD2 4.44Å; V108-F153 HydrophobicContact CG1-CE2 4.43Å; V108-F153 HydrophobicContact CG1-CZ 4.31Å
109Y79.5Confident79.2Confident29 Ų2949.8 Ų49.811%0.11425%0.25CC..Hα-helixtrans-57.2-43.8177.7179.2-87.5000112.7L4 S5 C6 F8 S105 K106 T107 I111 L112 R113 Y131L4-Y109 PolarHBondContact O-OH 2.8Å; S5-Y109 WeakPolarHBondContact CA-OH 3.25Å; C6-Y109 WeakPolarHBondContact O-CE2 3.36Å; F8-Y109 AromaticContact CD2-CD2 3.75Å; F8-Y109 HydrophobicContact CD2-CD2 3.75Å; F8-Y109 HydrophobicContact CD2-CE2 4.29Å; F8-Y109 HydrophobicContact CD2-CG 4.4Å; F8-Y109 HydrophobicContact CE1-CD2 4.36Å; F8-Y109 HydrophobicContact CE1-CG 4.1Å; F8-Y109 HydrophobicContact CE2-CD1 4.28Å; F8-Y109 AromaticContact CE2-CD2 3.25Å; F8-Y109 HydrophobicContact CE2-CD2 3.25Å; F8-Y109 AromaticContact CE2-CE2 3.74Å; F8-Y109 HydrophobicContact CE2-CE2 3.74Å; F8-Y109 AromaticContact CE2-CG 3.6Å; F8-Y109 HydrophobicContact CE2-CG 3.6Å; F8-Y109 HydrophobicContact CG-CD2 4.47Å; F8-Y109 VanDerWaalsContact CZ-CB 3.46Å; F8-Y109 HydrophobicContact CZ-CD1 4.01Å; F8-Y109 AromaticContact CZ-CD2 3.59Å; F8-Y109 HydrophobicContact CZ-CD2 3.59Å; F8-Y109 HydrophobicContact CZ-CE2 4.39Å; F8-Y109 AromaticContact CZ-CG 3.4Å; F8-Y109 HydrophobicContact CZ-CG 3.4Å; S105-Y109 VanDerWaalsContact O-CB 3.31Å; S105-Y109 WeakPolarHBondContact O-CB 3.47Å; S105-Y109 PolarHBondContact O-N 3.38Å; K106-Y109 PolarHBondContact O-N 3.14Å; T107-Y109 VanDerWaalsContact C-N 3.32Å; T107-Y109 PolarHBondContact O-N 3.41Å; Y109-I111 VanDerWaalsContact C-N 3.32Å; Y109-I111 PolarHBondContact O-N 2.97Å; Y109-L112 PolarHBondContact O-N 2.87Å; Y109-R113 HydrophobicContact CE1-CB 4.4Å; Y109-R113 WeakPolarHBondContact O-CB 3.43Å; Y109-R113 PolarHBondContact O-N 3.26Å; Y109-Y131 VanDerWaalsContact CA-OH 3.25Å; Y109-Y131 WeakPolarHBondContact CA-OH 3.3Å; Y109-Y131 HydrophobicContact CD2-CE1 4.33Å; Y109-Y131 AromaticContact CD2-CZ 3.83Å; Y109-Y131 WeakPolarHBondContact CD2-OH 3.39Å
110S80.5Confident78.7Confident62 Ų6252.3 Ų52.343%0.43426%0.261SS..Hα-helixtrans-64.9-35.6178.5-169.70000112.4K106 T107 V108 H114K106-S110 WeakPolarHBondContact O-CB 3.45Å; K106-S110 PolarHBondContact O-N 3.47Å; T107-S110 PolarHBondContact O-N 2.92Å; V108-S110 VanDerWaalsContact C-N 3.31Å; V108-S110 PolarHBondContact O-N 2.85Å; S110-H114 WeakPolarHBondContact O-CB 3.44Å; S110-H114 PolarHBondContact O-N 2.58Å; S110-H114 VanDerWaalsContact O-N 3.11Å
111I79.4Confident78.2Confident4 Ų450.9 Ų50.92%0.02125%0.251CS..Hα-helixtrans-67.9-52.2176.7-67161.8000109.4T107 V108 Y109 R113 H114 V115 F153 N179 I180 R183 L184T107-I111 HydrophobicContact CG2-CD1 4.06Å; T107-I111 VanDerWaalsContact O-CG1 3.31Å; T107-I111 WeakPolarHBondContact O-CG1 3.47Å; T107-I111 PolarHBondContact O-N 2.94Å; V108-I111 PolarHBondContact O-N 3.34Å; V108-I111 VanDerWaalsContact O-N 3.1Å; Y109-I111 VanDerWaalsContact C-N 3.32Å; Y109-I111 PolarHBondContact O-N 2.97Å; I111-R113 VanDerWaalsContact C-N 3.28Å; I111-R113 PolarHBondContact O-N 3.37Å; I111-H114 PolarHBondContact O-N 2.87Å; I111-H114 VanDerWaalsContact O-N 3.12Å; I111-V115 HydrophobicContact CG2-CG2 4.45Å; I111-V115 WeakPolarHBondContact O-CG2 3.27Å; I111-V115 PolarHBondContact O-N 3.2Å; I111-F153 HydrophobicContact CD1-CD1 4.32Å; I111-F153 HydrophobicContact CG2-CE1 4.15Å; I111-N179 HydrophobicContact CG2-CB 4.24Å; I111-I180 HydrophobicContact CG2-CG1 4.16Å; I111-R183 HydrophobicContact CD1-CB 4.32Å; I111-R183 HydrophobicContact CG1-CB 4.19Å; I111-R183 HydrophobicContact CG1-CG 4.33Å; I111-L184 HydrophobicContact CD1-CD1 3.92Å
112L77.4Confident77.3Confident0 Ų055.6 Ų55.60%028%0.282CS..Hα-helixtrans-62.5-36.6179.5-84.775.9000112V108 Y109 V115 A116 L130 Y131 A135 F153V108-L112 HydrophobicContact CG1-CD1 3.67Å; V108-L112 WeakPolarHBondContact O-CD1 3.13Å; V108-L112 PolarHBondContact O-N 3.28Å; Y109-L112 PolarHBondContact O-N 2.87Å; L112-V115 PolarHBondContact O-N 3.23Å; L112-A116 WeakPolarHBondContact O-CB 3.35Å; L112-A116 PolarHBondContact O-N 2.84Å; L112-L130 HydrophobicContact CG-CD2 4.47Å; L112-Y131 HydrophobicContact CB-CE2 3.72Å; L112-Y131 HydrophobicContact CD2-CD1 4.12Å; L112-Y131 HydrophobicContact CD2-CD2 3.59Å; L112-Y131 HydrophobicContact CD2-CE1 3.97Å; L112-Y131 HydrophobicContact CD2-CE2 3.45Å; L112-Y131 VanDerWaalsContact CD2-CE2 3.45Å; L112-Y131 HydrophobicContact CD2-CG 3.94Å; L112-Y131 HydrophobicContact CG-CE2 4.24Å; L112-A135 HydrophobicContact CD2-CB 4.27Å; L112-F153 HydrophobicContact CD1-CE1 3.91Å; L112-F153 HydrophobicContact CD1-CZ 3.67Å
113R78.9Confident76.7Confident116 Ų11660.7 Ų60.744%0.43830%0.304SS..Hα-helixtrans-62.8-42.9174.7-179.4178.3172.9-175.4-1.1111.7Y109 I111 A116 E117Y109-R113 HydrophobicContact CE1-CB 4.4Å; Y109-R113 WeakPolarHBondContact O-CB 3.43Å; Y109-R113 PolarHBondContact O-N 3.26Å; I111-R113 VanDerWaalsContact C-N 3.28Å; I111-R113 PolarHBondContact O-N 3.37Å; R113-A116 PolarHBondContact O-N 3.1Å; R113-E117 WeakPolarHBondContact O-CB 3.49Å; R113-E117 PolarHBondContact O-N 2.66Å
114H78.8Confident75.9Confident71 Ų7161.3 Ų61.333%0.32931%0.305SS..Hα-helixtrans-71.2-37.2179.3-166.765000111.7S110 I111 A116 E117 V118 N179S110-H114 WeakPolarHBondContact O-CB 3.44Å; S110-H114 PolarHBondContact O-N 2.58Å; S110-H114 VanDerWaalsContact O-N 3.11Å; I111-H114 PolarHBondContact O-N 2.87Å; I111-H114 VanDerWaalsContact O-N 3.12Å; H114-A116 VanDerWaalsContact C-N 3.31Å; H114-A116 PolarHBondContact O-N 3Å; H114-E117 IonicContact ND1-OE1 3.25Å; H114-E117 PolarHBondContact O-N 2.92Å; H114-V118 VanDerWaalsContact O-CG2 3.29Å; H114-V118 WeakPolarHBondContact O-CG2 3.29Å; H114-V118 PolarHBondContact O-N 3.08Å; H114-N179 PolarHBondContact CD2-OD1 2.86Å
115V76.3Confident75.3Confident0 Ų066 Ų660%033%0.327CS..Hα-helixtrans-59.1-44.1171172.70000110.5I111 L112 E117 V118 L119 L130 V175 L176 N179I111-V115 HydrophobicContact CG2-CG2 4.45Å; I111-V115 WeakPolarHBondContact O-CG2 3.27Å; I111-V115 PolarHBondContact O-N 3.2Å; L112-V115 PolarHBondContact O-N 3.23Å; V115-E117 VanDerWaalsContact C-N 3.34Å; V115-E117 PolarHBondContact O-N 3.31Å; V115-V118 PolarHBondContact O-N 2.82Å; V115-L119 HydrophobicContact CG1-CD1 3.65Å; V115-L119 HydrophobicContact CG1-CG 4.46Å; V115-L119 WeakPolarHBondContact O-CB 3.4Å; V115-L119 WeakPolarHBondContact O-CD1 3.45Å; V115-L119 VanDerWaalsContact O-CG 3.24Å; V115-L119 WeakPolarHBondContact O-CG 3.33Å; V115-L119 PolarHBondContact O-N 2.78Å; V115-L130 HydrophobicContact CG1-CD2 4.49Å; V115-V175 HydrophobicContact CG1-CG1 4.24Å; V115-V175 HydrophobicContact CG2-CG1 4.36Å; V115-L176 HydrophobicContact CG2-CB 4.48Å; V115-L176 HydrophobicContact CG2-CD1 4.36Å; V115-N179 HydrophobicContact CG2-CB 4.04Å
116A75.4Confident74.9Confident4 Ų469.1 Ų69.13%0.03334%0.341CS..Hα-helixtrans-65.6-32.9176.100000113.8L112 R113 H114 E120 Y121 L127L112-A116 WeakPolarHBondContact O-CB 3.35Å; L112-A116 PolarHBondContact O-N 2.84Å; R113-A116 PolarHBondContact O-N 3.1Å; H114-A116 VanDerWaalsContact C-N 3.31Å; H114-A116 PolarHBondContact O-N 3Å; A116-E120 PolarHBondContact O-N 3.26Å; A116-Y121 HydrophobicContact CB-CD2 3.67Å; A116-Y121 HydrophobicContact CB-CE2 4.4Å; A116-Y121 HydrophobicContact CB-CG 4.47Å; A116-Y121 PolarHBondContact O-N 3.04Å; A116-L127 HydrophobicContact CB-CD1 3.62Å
117E77.3Confident74.3Confident123 Ų12363.5 Ų63.558%0.57532%0.316SS*.Hα-helixtrans-70.1-41.8175-171173.291.900111.4R113 H114 V115 L119 E120R113-E117 WeakPolarHBondContact O-CB 3.49Å; R113-E117 PolarHBondContact O-N 2.66Å; H114-E117 IonicContact ND1-OE1 3.25Å; H114-E117 PolarHBondContact O-N 2.92Å; V115-E117 VanDerWaalsContact C-N 3.34Å; V115-E117 PolarHBondContact O-N 3.31Å; E117-L119 VanDerWaalsContact C-N 3.32Å; E117-E120 PolarHBondContact O-N 3.4Å
118V79.3Confident73.9Confident76 Ų7663.7 Ų63.746%0.46131%0.314SS..Hα-helixtrans-66.6-34.5176.2172.40000111.8H114 V115 E120 V175H114-V118 VanDerWaalsContact O-CG2 3.29Å; H114-V118 WeakPolarHBondContact O-CG2 3.29Å; H114-V118 PolarHBondContact O-N 3.08Å; V115-V118 PolarHBondContact O-N 2.82Å; V118-E120 PolarHBondContact O-N 3.48Å; V118-V175 HydrophobicContact CB-CG1 4.23Å; V118-V175 HydrophobicContact CG1-CG1 3.83Å
119L73.8Confident73.5Confident47 Ų4765.3 Ų65.325%0.24633%0.326CS..THydrogen-bonded Turntrans-84.85.3176-64.7168000113.3V115 E117 Y121 E172V115-L119 HydrophobicContact CG1-CD1 3.65Å; V115-L119 HydrophobicContact CG1-CG 4.46Å; V115-L119 WeakPolarHBondContact O-CB 3.4Å; V115-L119 WeakPolarHBondContact O-CD1 3.45Å; V115-L119 VanDerWaalsContact O-CG 3.24Å; V115-L119 WeakPolarHBondContact O-CG 3.33Å; V115-L119 PolarHBondContact O-N 2.78Å; E117-L119 VanDerWaalsContact C-N 3.32Å; L119-Y121 VanDerWaalsContact C-N 3.25Å; L119-Y121 HydrophobicContact CB-CD1 4.25Å; L119-Y121 HydrophobicContact CB-CE1 3.98Å; L119-Y121 HydrophobicContact CB-CE2 4.33Å; L119-Y121 HydrophobicContact CD1-CE2 4.09Å; L119-Y121 PolarHBondContact O-N 3.04Å; L119-E172 HydrophobicContact CD1-CB 4.43Å; L119-E172 HydrophobicContact CD1-CG 3.9Å
120E72.1Confident73.2Confident165 Ų16564.1 Ų64.177%0.77132%0.321SS*.THydrogen-bonded Turntrans52.837178.7-58-171.896.700114.3A116 E117 V118 T122A116-E120 PolarHBondContact O-N 3.26Å; E117-E120 PolarHBondContact O-N 3.4Å; V118-E120 PolarHBondContact O-N 3.48Å; E120-T122 PolarHBondContact O-N 3.06Å; E120-T122 VanDerWaalsContact O-N 3.17Å
121Y70.6Confident72.8Confident35 Ų3561.4 Ų61.414%0.13730%0.301CS..  trans-66121.3173.3-65.3-25000110.2L4 A116 L119 Q126 L130 E172L4-Y121 WeakPolarHBondContact CD2-O 3.46Å; A116-Y121 HydrophobicContact CB-CD2 3.67Å; A116-Y121 HydrophobicContact CB-CE2 4.4Å; A116-Y121 HydrophobicContact CB-CG 4.47Å; A116-Y121 PolarHBondContact O-N 3.04Å; L119-Y121 VanDerWaalsContact C-N 3.25Å; L119-Y121 HydrophobicContact CB-CD1 4.25Å; L119-Y121 HydrophobicContact CB-CE1 3.98Å; L119-Y121 HydrophobicContact CB-CE2 4.33Å; L119-Y121 HydrophobicContact CD1-CE2 4.09Å; L119-Y121 PolarHBondContact O-N 3.04Å; Y121-Q126 HydrophobicContact CD1-CB 4.22Å; Y121-Q126 HydrophobicContact CD2-CB 4.27Å; Y121-Q126 HydrophobicContact CG-CB 4Å; Y121-L130 HydrophobicContact CE2-CD2 4.33Å; Y121-E172 PolarHBondContact OH-OE1 2.98Å
122T61.5Low72.4Confident118 Ų11865.3 Ų65.372%0.72432%0.32SS*.  trans-101.8-5.9-177.645.10000112.8E120E120-T122 PolarHBondContact O-N 3.06Å; E120-T122 VanDerWaalsContact O-N 3.17Å
123K70Confident72Confident120 Ų12071 Ų7152%0.52234%0.341SS..  trans-121.7136.1-178.2-60.5-177.4-179.2-178.90112E125 Q126 L127K123-E125 PolarHBondContact O-N 3.26Å; K123-Q126 HydrophobicContact CB-CG 4.28Å; K123-Q126 PolarHBondContact O-N 3.44Å; K123-Q126 VanDerWaalsContact O-N 3.12Å; K123-L127 PolarHBondContact O-N 3.02Å
124D64.9Low71.5Confident87 Ų8765.5 Ų65.547%0.46532%0.32SS..Hα-helixtrans-59.5-28.3173.9-56.9-91.3000112.7L4 S5 Q126 L127 E128L4-D124 WeakPolarHBondContact CA-OD1 3.4Å; S5-D124 PolarHBondContact N-OD1 3.14Å; D124-Q126 PolarHBondContact O-N 2.79Å; D124-L127 PolarHBondContact O-N 2.81Å; D124-E128 WeakPolarHBondContact O-CB 3.33Å; D124-E128 PolarHBondContact O-N 3.09Å
125E68.3Low70.9Confident144 Ų14462.4 Ų62.467%0.67331%0.307SS*.Hα-helixtrans-67.4-32176.4-69.4176.6102.600113.4K123 E128 S129K123-E125 PolarHBondContact O-N 3.26Å; E125-E128 PolarHBondContact O-N 3.41Å; E125-S129 WeakPolarHBondContact O-CB 3.46Å; E125-S129 PolarHBondContact O-N 3.49Å; E125-S129 PolarHBondContact O-OG 2.84Å
126Q68.4Low70.7Confident75 Ų7563.1 Ų63.135%0.3531%0.31SS..Hα-helixtrans-73.1-39.3176.7-67.8175.4-78.300110.4Y121 K123 D124 S129 L130Y121-Q126 HydrophobicContact CD1-CB 4.22Å; Y121-Q126 HydrophobicContact CD2-CB 4.27Å; Y121-Q126 HydrophobicContact CG-CB 4Å; K123-Q126 HydrophobicContact CB-CG 4.28Å; K123-Q126 PolarHBondContact O-N 3.44Å; K123-Q126 VanDerWaalsContact O-N 3.12Å; D124-Q126 PolarHBondContact O-N 2.79Å; Q126-S129 PolarHBondContact O-N 2.83Å; Q126-L130 PolarHBondContact O-N 2.85Å
127L69.8Low70.3Confident1 Ų166 Ų661%0.00533%0.327CS..Hα-helixtrans-62.6-45.8171.2-172.862.7000110.5L4 C6 A116 K123 D124 S129 L130 Y131L4-L127 HydrophobicContact CB-CD2 4.03Å; L4-L127 HydrophobicContact CD2-CB 4.45Å; C6-L127 HydrophobicContact CB-CD2 3.66Å; C6-L127 HydrophobicContact CB-CG 3.84Å; A116-L127 HydrophobicContact CB-CD1 3.62Å; K123-L127 PolarHBondContact O-N 3.02Å; D124-L127 PolarHBondContact O-N 2.81Å; L127-S129 VanDerWaalsContact C-N 3.3Å; L127-S129 PolarHBondContact O-N 2.89Å; L127-L130 WeakPolarHBondContact O-CB 3.49Å; L127-L130 PolarHBondContact O-N 3.33Å; L127-L130 VanDerWaalsContact O-N 3.13Å; L127-Y131 HydrophobicContact CD1-CD2 4.06Å; L127-Y131 HydrophobicContact CD1-CE2 3.69Å; L127-Y131 HydrophobicContact CD2-CE2 4.5Å; L127-Y131 HydrophobicContact CG-CD2 4.06Å; L127-Y131 HydrophobicContact CG-CE2 3.87Å; L127-Y131 VanDerWaalsContact O-CD2 3.24Å; L127-Y131 WeakPolarHBondContact O-CD2 3.4Å; L127-Y131 PolarHBondContact O-N 3.46Å
128E70.8Confident69.6Low54 Ų5460.3 Ų60.325%0.25230%0.3SS..Hα-helixtrans-61.2-39.3176.9-172.7167.810500112.3R7 D124 E125 L130 Y131 Q132 W136R7-E128 IonicContact CZ-OE2 3.45Å; R7-E128 IonicContact NE-OE2 3.92Å; R7-E128 PolarHBondContact NE-OE2 3.26Å; R7-E128 IonicContact NH2-OE1 3.75Å; R7-E128 PolarHBondContact NH2-OE1 3.24Å; R7-E128 IonicContact NH2-OE2 2.82Å; R7-E128 PolarHBondContact NH2-OE2 3.16Å; D124-E128 WeakPolarHBondContact O-CB 3.33Å; D124-E128 PolarHBondContact O-N 3.09Å; E125-E128 PolarHBondContact O-N 3.41Å; E128-L130 VanDerWaalsContact C-N 3.34Å; E128-L130 PolarHBondContact O-N 2.93Å; E128-Y131 PolarHBondContact O-N 3.43Å; E128-Q132 WeakPolarHBondContact O-CB 3.41Å; E128-Q132 WeakPolarHBondContact O-CG 3.42Å; E128-Q132 PolarHBondContact O-N 3.33Å; E128-W136 HydrophobicContact CG-CH2 3.78Å
129S70.3Confident68.9Low41 Ų4157.9 Ų57.929%0.28728%0.284SS..Hα-helixtrans-63.8-38.3174.7-600000112.1E125 Q126 L127 Q132 R133E125-S129 WeakPolarHBondContact O-CB 3.46Å; E125-S129 PolarHBondContact O-N 3.49Å; E125-S129 PolarHBondContact O-OG 2.84Å; Q126-S129 PolarHBondContact O-N 2.83Å; L127-S129 VanDerWaalsContact C-N 3.3Å; L127-S129 PolarHBondContact O-N 2.89Å; S129-Q132 PolarHBondContact O-N 3.27Å; S129-R133 WeakPolarHBondContact O-CB 3.4Å; S129-R133 VanDerWaalsContact O-CG 3.28Å; S129-R133 WeakPolarHBondContact O-CG 3.47Å; S129-R133 PolarHBondContact O-N 2.95Å
130L73.1Confident68.3Low4 Ų461.9 Ų61.92%0.02130%0.302CS..Hα-helixtrans-64.1-42.5173.3-17273.9000111L112 V115 Y121 Q126 L127 E128 R133 T134 L168L112-L130 HydrophobicContact CG-CD2 4.47Å; V115-L130 HydrophobicContact CG1-CD2 4.49Å; Y121-L130 HydrophobicContact CE2-CD2 4.33Å; Q126-L130 PolarHBondContact O-N 2.85Å; L127-L130 WeakPolarHBondContact O-CB 3.49Å; L127-L130 PolarHBondContact O-N 3.33Å; L127-L130 VanDerWaalsContact O-N 3.13Å; E128-L130 VanDerWaalsContact C-N 3.34Å; E128-L130 PolarHBondContact O-N 2.93Å; L130-R133 PolarHBondContact O-N 2.9Å; L130-T134 HydrophobicContact CD1-CG2 4.41Å; L130-T134 WeakPolarHBondContact O-CB 3.31Å; L130-T134 WeakPolarHBondContact O-CG2 3.32Å; L130-T134 PolarHBondContact O-N 3.48Å; L130-T134 PolarHBondContact O-OG1 3.17Å; L130-L168 HydrophobicContact CD1-CD2 3.9Å
131Y71.7Confident67.8Low4 Ų460.6 Ų60.62%0.01629%0.294CS..Hα-helixtrans-64.9-40.8175.7-88.3-107.9000112.3C6 Y109 L112 L127 E128 R133 T134 A135 W136C6-Y131 HydrophobicContact CB-CD2 4.32Å; C6-Y131 HydrophobicContact CB-CE2 4.25Å; Y109-Y131 VanDerWaalsContact CA-OH 3.25Å; Y109-Y131 WeakPolarHBondContact CA-OH 3.3Å; Y109-Y131 HydrophobicContact CD2-CE1 4.33Å; Y109-Y131 AromaticContact CD2-CZ 3.83Å; Y109-Y131 WeakPolarHBondContact CD2-OH 3.39Å; L112-Y131 HydrophobicContact CB-CE2 3.72Å; L112-Y131 HydrophobicContact CD2-CD1 4.12Å; L112-Y131 HydrophobicContact CD2-CD2 3.59Å; L112-Y131 HydrophobicContact CD2-CE1 3.97Å; L112-Y131 HydrophobicContact CD2-CE2 3.45Å; L112-Y131 VanDerWaalsContact CD2-CE2 3.45Å; L112-Y131 HydrophobicContact CD2-CG 3.94Å; L112-Y131 HydrophobicContact CG-CE2 4.24Å; L127-Y131 HydrophobicContact CD1-CD2 4.06Å; L127-Y131 HydrophobicContact CD1-CE2 3.69Å; L127-Y131 HydrophobicContact CD2-CE2 4.5Å; L127-Y131 HydrophobicContact CG-CD2 4.06Å; L127-Y131 HydrophobicContact CG-CE2 3.87Å; L127-Y131 VanDerWaalsContact O-CD2 3.24Å; L127-Y131 WeakPolarHBondContact O-CD2 3.4Å; L127-Y131 PolarHBondContact O-N 3.46Å; E128-Y131 PolarHBondContact O-N 3.43Å; Y131-R133 VanDerWaalsContact C-N 3.33Å; Y131-R133 PolarHBondContact O-N 3.47Å; Y131-T134 CarbonylContact O-C 3.56Å; Y131-T134 PolarHBondContact O-N 2.69Å; Y131-A135 HydrophobicContact CD1-CB 3.8Å; Y131-A135 HydrophobicContact CE1-CB 4.37Å; Y131-A135 HydrophobicContact CG-CB 4.38Å; Y131-A135 PolarHBondContact O-N 3.2Å; Y131-W136 PolarHBondContact O-N 2.74Å
132Q71.4Confident67.3Low87 Ų8762.6 Ų62.641%0.40730%0.302SS..Hα-helixtrans-59.1-45.1174.9-8017518.100111.6E128 S129 W136 V137E128-Q132 WeakPolarHBondContact O-CB 3.41Å; E128-Q132 WeakPolarHBondContact O-CG 3.42Å; E128-Q132 PolarHBondContact O-N 3.33Å; S129-Q132 PolarHBondContact O-N 3.27Å; Q132-W136 HydrophobicContact CB-CE3 4.08Å; Q132-W136 HydrophobicContact CB-CZ3 4.29Å; Q132-W136 HydrophobicContact CG-CD2 4.28Å; Q132-W136 HydrophobicContact CG-CE3 3.26Å; Q132-W136 HydrophobicContact CG-CH2 3.92Å; Q132-W136 HydrophobicContact CG-CZ3 3.07Å; Q132-V137 WeakPolarHBondContact O-CG2 3.34Å
133R69.2Low66.9Low119 Ų11966.1 Ų66.145%0.44931%0.307SS..Hα-helixtrans-73.1-35.6-179.2-69.3171.8-172.3173.31.5112.1S129 L130 Y131 V137 L166S129-R133 WeakPolarHBondContact O-CB 3.4Å; S129-R133 VanDerWaalsContact O-CG 3.28Å; S129-R133 WeakPolarHBondContact O-CG 3.47Å; S129-R133 PolarHBondContact O-N 2.95Å; L130-R133 PolarHBondContact O-N 2.9Å; Y131-R133 VanDerWaalsContact C-N 3.33Å; Y131-R133 PolarHBondContact O-N 3.47Å; R133-V137 VanDerWaalsContact O-CG2 3.27Å; R133-V137 WeakPolarHBondContact O-CG2 3.45Å; R133-L166 WeakPolarHBondContact O-CD2 3.4Å
134T68.5Low66.4Low1 Ų168.5 Ų68.51%0.00631%0.313CS..THydrogen-bonded Turntrans-104.5-81.2-173.5630000113.1L130 Y131 W136 V137 F138 L166 L168L130-T134 HydrophobicContact CD1-CG2 4.41Å; L130-T134 WeakPolarHBondContact O-CB 3.31Å; L130-T134 WeakPolarHBondContact O-CG2 3.32Å; L130-T134 PolarHBondContact O-N 3.48Å; L130-T134 PolarHBondContact O-OG1 3.17Å; Y131-T134 CarbonylContact O-C 3.56Å; Y131-T134 PolarHBondContact O-N 2.69Å; T134-W136 VanDerWaalsContact C-N 3.33Å; T134-W136 PolarHBondContact O-N 2.69Å; T134-V137 PolarHBondContact O-N 3.48Å; T134-F138 WeakPolarHBondContact O-CD2 3.32Å; T134-F138 PolarHBondContact O-N 2.93Å; T134-L166 HydrophobicContact CG2-CD2 3.88Å; T134-L168 HydrophobicContact CG2-CD1 3.76Å; T134-L168 HydrophobicContact CG2-CD2 3.75Å; T134-L168 HydrophobicContact CG2-CG 4.19Å
135A66.8Low66Low6 Ų667.3 Ų67.35%0.0531%0.309CS..Hα-helixtrans-57.5-41.2-169.200000113.1L112 Y131 F138 D139L112-A135 HydrophobicContact CD2-CB 4.27Å; Y131-A135 HydrophobicContact CD1-CB 3.8Å; Y131-A135 HydrophobicContact CE1-CB 4.37Å; Y131-A135 HydrophobicContact CG-CB 4.38Å; Y131-A135 PolarHBondContact O-N 3.2Å; A135-F138 PolarHBondContact O-N 2.93Å; A135-D139 PolarHBondContact O-N 3.38Å
136W70.9Confident65.4Low14 Ų1460.6 Ų60.65%0.05328%0.279CS..Hα-helixtrans-78.9-31.3-177-58.9-12.9000113.3R7 F8 Y9 Q10 E128 Y131 Q132 T134 F138 D139 E140R7-W136 HydrophobicContact CG-CH2 4.31Å; R7-W136 HydrophobicContact CG-CZ2 3.8Å; F8-W136 PolarHBondContact O-NE1 3.39Å; Y9-W136 VanDerWaalsContact C-NE1 3.32Å; Q10-W136 HydrophobicContact CB-CB 4.2Å; Q10-W136 HydrophobicContact CB-CD2 3.69Å; Q10-W136 HydrophobicContact CB-CE3 3.88Å; Q10-W136 HydrophobicContact CB-CG 3.78Å; Q10-W136 HydrophobicContact CG-CD2 4.05Å; Q10-W136 HydrophobicContact CG-CE3 3.71Å; Q10-W136 HydrophobicContact CG-CG 4.38Å; Q10-W136 HydrophobicContact CG-CZ3 4.29Å; E128-W136 HydrophobicContact CG-CH2 3.78Å; Y131-W136 PolarHBondContact O-N 2.74Å; Q132-W136 HydrophobicContact CB-CE3 4.08Å; Q132-W136 HydrophobicContact CB-CZ3 4.29Å; Q132-W136 HydrophobicContact CG-CD2 4.28Å; Q132-W136 HydrophobicContact CG-CE3 3.26Å; Q132-W136 HydrophobicContact CG-CH2 3.92Å; Q132-W136 HydrophobicContact CG-CZ3 3.07Å; T134-W136 VanDerWaalsContact C-N 3.33Å; T134-W136 PolarHBondContact O-N 2.69Å; W136-F138 VanDerWaalsContact C-N 3.29Å; W136-F138 PolarHBondContact O-N 3.38Å; W136-D139 PolarHBondContact O-N 3.03Å; W136-E140 WeakPolarHBondContact O-CB 3.32Å; W136-E140 PolarHBondContact O-N 2.87Å
137V66.6Low65Low64 Ų6460.5 Ų60.539%0.38828%0.276SS..Hα-helixtrans-62-41.2170.7172.10000110.4Q132 R133 T134 E140 K141Q132-V137 WeakPolarHBondContact O-CG2 3.34Å; R133-V137 VanDerWaalsContact O-CG2 3.27Å; R133-V137 WeakPolarHBondContact O-CG2 3.45Å; T134-V137 PolarHBondContact O-N 3.48Å; V137-E140 PolarHBondContact O-N 3.01Å; V137-K141 VanDerWaalsContact O-CB 3.27Å; V137-K141 WeakPolarHBondContact O-CB 3.22Å; V137-K141 PolarHBondContact O-N 3.32Å
138F64.4Low64.5Low5 Ų560.6 Ų60.62%0.02228%0.277CS..Hα-helixtrans-70.4-34.6176.2-62.1-52.4000112.7T134 A135 W136 Y142 V152 F153 I162 L166T134-F138 WeakPolarHBondContact O-CD2 3.32Å; T134-F138 PolarHBondContact O-N 2.93Å; A135-F138 PolarHBondContact O-N 2.93Å; W136-F138 VanDerWaalsContact C-N 3.29Å; W136-F138 PolarHBondContact O-N 3.38Å; F138-Y142 WeakPolarHBondContact O-CD2 3.47Å; F138-Y142 PolarHBondContact O-N 2.8Å; F138-V152 HydrophobicContact CB-CG2 4.37Å; F138-V152 HydrophobicContact CD1-CB 4.13Å; F138-V152 HydrophobicContact CD1-CG1 3.54Å; F138-V152 HydrophobicContact CD1-CG2 3.98Å; F138-V152 HydrophobicContact CD2-CG1 4.32Å; F138-V152 HydrophobicContact CE1-CG1 3.48Å; F138-V152 VanDerWaalsContact CE1-CG1 3.48Å; F138-V152 HydrophobicContact CE2-CG1 4.28Å; F138-V152 HydrophobicContact CG-CB 4.27Å; F138-V152 HydrophobicContact CG-CG1 3.98Å; F138-V152 HydrophobicContact CG-CG2 4.33Å; F138-V152 HydrophobicContact CZ-CG1 3.86Å; F138-F153 HydrophobicContact CD2-CE2 4.14Å; F138-F153 HydrophobicContact CE2-CE2 4.16Å; F138-I162 HydrophobicContact CE1-CG2 4.17Å; F138-L166 HydrophobicContact CE1-CD1 3.86Å; F138-L166 HydrophobicContact CE2-CD1 4.42Å; F138-L166 HydrophobicContact CE2-CD2 3.96Å; F138-L166 HydrophobicContact CZ-CD1 3.47Å; F138-L166 VanDerWaalsContact CZ-CD1 3.47Å; F138-L166 HydrophobicContact CZ-CD2 3.81Å; F138-L166 HydrophobicContact CZ-CG 4.31Å
139D63.3Low64.2Low24 Ų2458.3 Ų58.313%0.12827%0.268CS..Hα-helixtrans-63.7-43.8174.5-145.5-104.6000111.7A135 W136 K143 P145 G146A135-D139 PolarHBondContact O-N 3.38Å; W136-D139 PolarHBondContact O-N 3.03Å; D139-K143 WeakPolarHBondContact O-CA 3.12Å; D139-K143 PolarHBondContact O-N 2.92Å; D139-P145 WeakPolarHBondContact OD1-CA 3.45Å; D139-P145 WeakPolarHBondContact OD2-CA 3.49Å; D139-G146 PolarHBondContact OD2-N 2.79Å
140E60.8Low64.1Low132 Ų13259.6 Ų59.662%0.61727%0.267SS*.Hα-helixtrans-69-42178.8-166174.897.400112W136 V137 Y142 K143W136-E140 WeakPolarHBondContact O-CB 3.32Å; W136-E140 PolarHBondContact O-N 2.87Å; V137-E140 PolarHBondContact O-N 3.01Å; E140-Y142 VanDerWaalsContact C-N 3.34Å; E140-Y142 PolarHBondContact O-N 2.89Å; E140-K143 PolarHBondContact O-N 3.01Å
141K62.4Low63.9Low138 Ų13863.5 Ų63.560%0.629%0.288SS*.Hα-helixtrans-63.6-37.2179.3-173.1174-177.5-179.90112.7V137V137-K141 VanDerWaalsContact O-CB 3.27Å; V137-K141 WeakPolarHBondContact O-CB 3.22Å; V137-K141 PolarHBondContact O-N 3.32Å
142Y59.2Low63.7Low77 Ų7763.4 Ų63.430%0.30229%0.287SS..Hα-helixtrans-100-3.8-177.1-73-94.9000113.9F138 E140 R144 V152F138-Y142 WeakPolarHBondContact O-CD2 3.47Å; F138-Y142 PolarHBondContact O-N 2.8Å; E140-Y142 VanDerWaalsContact C-N 3.34Å; E140-Y142 PolarHBondContact O-N 2.89Å; Y142-R144 PolarHBondContact O-N 3.22Å; Y142-V152 HydrophobicContact CD2-CG2 3.63Å; Y142-V152 HydrophobicContact CE1-CG2 4.4Å; Y142-V152 HydrophobicContact CE2-CG2 3.04Å; Y142-V152 VanDerWaalsContact CZ-CG2 3.48Å
143K54.5Low63.7Low191 Ų19159.4 Ų59.483%0.8327%0.268SS*.THydrogen-bonded Turntrans46.431.1-178.4-63-171.5178.1-174.70113.5D139 E140D139-K143 WeakPolarHBondContact O-CA 3.12Å; D139-K143 PolarHBondContact O-N 2.92Å; E140-K143 PolarHBondContact O-N 3.01Å
144R59.7Low63.7Low171 Ų17159.5 Ų59.565%0.64527%0.272SS*.  trans-133.596.5-178.2-77-169.1179.6-1802.3109.3Y142 G146 Y147 G148Y142-R144 PolarHBondContact O-N 3.22Å; R144-G146 PolarHBondContact O-N 3.39Å; R144-G146 VanDerWaalsContact O-N 3.13Å; R144-Y147 PolarHBondContact O-N 2.8Å; R144-G148 PolarHBondContact O-N 2.89Å; R144-G148 VanDerWaalsContact O-N 3.12Å
145P55.2Low63.7Low61 Ų6163.4 Ų63.440%0.39629%0.291SS..THydrogen-bonded Turntrans-56.7119.1-178.519.6-30000111.3Y9 K101 D139 Y147Y9-P145 HydrophobicContact CD1-CB 4.15Å; Y9-P145 HydrophobicContact CE1-CB 4.06Å; K101-P145 VanDerWaalsContact CE-O 3.29Å; K101-P145 WeakPolarHBondContact CE-O 3.28Å; D139-P145 WeakPolarHBondContact OD1-CA 3.45Å; D139-P145 WeakPolarHBondContact OD2-CA 3.49Å; P145-Y147 VanDerWaalsContact C-N 3.27Å; P145-Y147 PolarHBondContact O-N 2.68Å; P145-Y147 VanDerWaalsContact O-N 3.17Å
146G55.4Low63.7Low3 Ų363.6 Ų63.63%0.03129%0.292CS..THydrogen-bonded Turntrans82.2-22.1173.400000116.5S105 D139 R144S105-G146 VanDerWaalsContact OG-CA 3.28Å; S105-G146 WeakPolarHBondContact OG-CA 3.21Å; S105-G146 PolarHBondContact OG-O 3.35Å; D139-G146 PolarHBondContact OD2-N 2.79Å; R144-G146 PolarHBondContact O-N 3.39Å; R144-G146 VanDerWaalsContact O-N 3.13Å
147Y60.4Low63.7Low73 Ų7364.9 Ų64.929%0.28630%0.301SS..Hα-helixtrans-86.2-38.5172.6-78.5-87.3000112.3K97 D100 K101 K104 R144 P145 A149 Y150 D151K97-Y147 PolarHBondContact O-OH 3.36Å; D100-Y147 WeakPolarHBondContact OD1-CE1 3.47Å; D100-Y147 PolarHBondContact OD1-OH 2.88Å; K101-Y147 HydrophobicContact CB-CE2 3.87Å; K101-Y147 HydrophobicContact CD-CE2 4.48Å; K101-Y147 HydrophobicContact CG-CD2 4.45Å; K101-Y147 HydrophobicContact CG-CE2 4.13Å; K104-Y147 HydrophobicContact CD-CD1 4.09Å; K104-Y147 HydrophobicContact CD-CE1 4.04Å; R144-Y147 PolarHBondContact O-N 2.8Å; P145-Y147 VanDerWaalsContact C-N 3.27Å; P145-Y147 PolarHBondContact O-N 2.68Å; P145-Y147 VanDerWaalsContact O-N 3.17Å; Y147-A149 PolarHBondContact O-N 2.85Å; Y147-Y150 PolarHBondContact O-N 3.37Å; Y147-D151 WeakPolarHBondContact O-CB 3.16Å; Y147-D151 PolarHBondContact O-N 3.32Å; Y147-D151 VanDerWaalsContact O-N 3.09Å
148G59.8Low63.7Low3 Ų366.4 Ų66.43%0.03132%0.315CS..Hα-helixtrans-62.3-44-176.400000112.7R144 Y150 D151 V152R144-G148 PolarHBondContact O-N 2.89Å; R144-G148 VanDerWaalsContact O-N 3.12Å; G148-Y150 PolarHBondContact O-N 2.89Å; G148-D151 PolarHBondContact O-N 3.42Å; G148-V152 WeakPolarHBondContact O-CB 3.29Å; G148-V152 WeakPolarHBondContact O-CG2 3.27Å; G148-V152 PolarHBondContact O-N 3.3Å
149A64.1Low63.7Low7 Ų769.4 Ų69.46%0.05833%0.331CS..Hα-helixtrans-63.4-44.4179.100000112.4V108 Y147 F153V108-A149 HydrophobicContact CG1-CB 4.31Å; V108-A149 HydrophobicContact CG2-CB 4.34Å; Y147-A149 PolarHBondContact O-N 2.85Å; A149-F153 WeakPolarHBondContact O-CB 3.14Å; A149-F153 WeakPolarHBondContact O-CD2 3.33Å; A149-F153 WeakPolarHBondContact O-CG 3.47Å; A149-F153 PolarHBondContact O-N 3.41Å
150Y68.1Low63.6Low68 Ų6871.7 Ų71.727%0.26735%0.347SS..Hα-helixtrans-67.5-40.8179.8-178.8-93.3000112.5K104 T107 V108 Y147 G148 F153 K154 L184K104-Y150 HydrophobicContact CB-CD2 4.19Å; K104-Y150 HydrophobicContact CB-CG 3.97Å; K104-Y150 HydrophobicContact CD-CD1 4.1Å; K104-Y150 HydrophobicContact CD-CG 4.33Å; K104-Y150 HydrophobicContact CG-CD1 4Å; K104-Y150 HydrophobicContact CG-CD2 4.2Å; K104-Y150 HydrophobicContact CG-CE1 4.41Å; K104-Y150 HydrophobicContact CG-CG 3.88Å; T107-Y150 HydrophobicContact CG2-CE2 4.31Å; V108-Y150 HydrophobicContact CG2-CD2 4.44Å; Y147-Y150 PolarHBondContact O-N 3.37Å; G148-Y150 PolarHBondContact O-N 2.89Å; Y150-F153 PolarHBondContact O-N 3.34Å; Y150-K154 PolarHBondContact O-N 2.88Å; Y150-L184 HydrophobicContact CE2-CD1 4.05Å; Y150-L184 HydrophobicContact CE2-CD2 4.22Å; Y150-L184 HydrophobicContact CE2-CG 4.38Å
151D68.6Low63.7Low86 Ų8669.9 Ų69.946%0.4635%0.345SS..Hα-helixtrans-65.5-41.7179.3-161.1-114.6000111.4Y147 G148 F153 K154 Q155Y147-D151 WeakPolarHBondContact O-CB 3.16Å; Y147-D151 PolarHBondContact O-N 3.32Å; Y147-D151 VanDerWaalsContact O-N 3.09Å; G148-D151 PolarHBondContact O-N 3.42Å; D151-F153 PolarHBondContact O-N 3.08Å; D151-K154 WeakPolarHBondContact O-CB 3.47Å; D151-K154 PolarHBondContact O-N 2.88Å; D151-Q155 WeakPolarHBondContact O-CB 3.46Å; D151-Q155 PolarHBondContact O-N 2.87Å
152V68.6Low63.8Low1 Ų164.5 Ų64.51%0.00632%0.323CS..Hα-helixtrans-63.5-41.6172.71730000111.8F138 Y142 G148 K154 Q155 A156 I162F138-V152 HydrophobicContact CB-CG2 4.37Å; F138-V152 HydrophobicContact CD1-CB 4.13Å; F138-V152 HydrophobicContact CD1-CG1 3.54Å; F138-V152 HydrophobicContact CD1-CG2 3.98Å; F138-V152 HydrophobicContact CD2-CG1 4.32Å; F138-V152 HydrophobicContact CE1-CG1 3.48Å; F138-V152 VanDerWaalsContact CE1-CG1 3.48Å; F138-V152 HydrophobicContact CE2-CG1 4.28Å; F138-V152 HydrophobicContact CG-CB 4.27Å; F138-V152 HydrophobicContact CG-CG1 3.98Å; F138-V152 HydrophobicContact CG-CG2 4.33Å; F138-V152 HydrophobicContact CZ-CG1 3.86Å; Y142-V152 HydrophobicContact CD2-CG2 3.63Å; Y142-V152 HydrophobicContact CE1-CG2 4.4Å; Y142-V152 HydrophobicContact CE2-CG2 3.04Å; Y142-V152 VanDerWaalsContact CZ-CG2 3.48Å; G148-V152 WeakPolarHBondContact O-CB 3.29Å; G148-V152 WeakPolarHBondContact O-CG2 3.27Å; G148-V152 PolarHBondContact O-N 3.3Å; V152-K154 PolarHBondContact O-N 2.86Å; V152-Q155 CarbonylContact O-C 3.57Å; V152-Q155 PolarHBondContact O-N 2.92Å; V152-A156 WeakPolarHBondContact O-CB 3.19Å; V152-A156 PolarHBondContact O-N 2.82Å; V152-I162 HydrophobicContact CG1-CG2 3.68Å
153F70.7Confident63.9Low3 Ų361 Ų611%0.01331%0.31CS..Hα-helixtrans-64.2-33.1177.4-87-122.5000111.7V108 I111 L112 F138 A149 Y150 D151 I180 L184V108-F153 HydrophobicContact CG1-CE2 4.43Å; V108-F153 HydrophobicContact CG1-CZ 4.31Å; I111-F153 HydrophobicContact CD1-CD1 4.32Å; I111-F153 HydrophobicContact CG2-CE1 4.15Å; L112-F153 HydrophobicContact CD1-CE1 3.91Å; L112-F153 HydrophobicContact CD1-CZ 3.67Å; F138-F153 HydrophobicContact CD2-CE2 4.14Å; F138-F153 HydrophobicContact CE2-CE2 4.16Å; A149-F153 WeakPolarHBondContact O-CB 3.14Å; A149-F153 WeakPolarHBondContact O-CD2 3.33Å; A149-F153 WeakPolarHBondContact O-CG 3.47Å; A149-F153 PolarHBondContact O-N 3.41Å; Y150-F153 PolarHBondContact O-N 3.34Å; D151-F153 PolarHBondContact O-N 3.08Å; F153-I180 HydrophobicContact CD1-CD1 3.49Å; F153-I180 VanDerWaalsContact CD1-CD1 3.49Å; F153-I180 HydrophobicContact CD1-CG1 3.57Å; F153-I180 HydrophobicContact CE1-CD1 3.58Å; F153-I180 HydrophobicContact CE1-CG1 3.81Å; F153-I180 HydrophobicContact CG-CD1 4.18Å; F153-I180 HydrophobicContact CZ-CD1 4.38Å; F153-I180 WeakPolarHBondContact O-CG2 3.33Å; F153-L184 HydrophobicContact CB-CD2 3.78Å
154K69.9Low64Low121 Ų12157.1 Ų57.153%0.52630%0.297SS..Hα-helixtrans-70.8-43.7172.3-171.6-177.1176.3-166.70111.4Y150 D151 V152 A156 V157Y150-K154 PolarHBondContact O-N 2.88Å; D151-K154 WeakPolarHBondContact O-CB 3.47Å; D151-K154 PolarHBondContact O-N 2.88Å; V152-K154 PolarHBondContact O-N 2.86Å; K154-A156 PolarHBondContact O-N 3.05Å; K154-V157 WeakPolarHBondContact O-CB 3.4Å; K154-V157 PolarHBondContact O-N 3.5Å
155Q67.3Low63.7Low84 Ų8452.5 Ų52.539%0.39330%0.303SS..Hα-helixtrans-66.5-29.8177.1-159.6178.8-5.500111.7D151 V152 V157 S158 D159 I162D151-Q155 WeakPolarHBondContact O-CB 3.46Å; D151-Q155 PolarHBondContact O-N 2.87Å; V152-Q155 CarbonylContact O-C 3.57Å; V152-Q155 PolarHBondContact O-N 2.92Å; Q155-V157 VanDerWaalsContact C-N 3.26Å; Q155-V157 PolarHBondContact O-N 3.27Å; Q155-S158 CarbonylContact O-C 3.58Å; Q155-S158 PolarHBondContact O-N 2.99Å; Q155-D159 PolarHBondContact O-N 2.77Å; Q155-I162 HydrophobicContact CB-CD1 3.77Å; Q155-I162 HydrophobicContact CG-CD1 3.38Å
156A68.6Low63.9Low9 Ų950.6 Ų50.67%0.07429%0.29CS..Hα-helixtrans-65.9-23.9175.600000113.8V152 K154 S158 L163V152-A156 WeakPolarHBondContact O-CB 3.19Å; V152-A156 PolarHBondContact O-N 2.82Å; K154-A156 PolarHBondContact O-N 3.05Å; A156-S158 VanDerWaalsContact C-N 3.34Å; A156-L163 HydrophobicContact CB-CD1 3.61Å; A156-L163 HydrophobicContact CB-CG 4.4Å
157V69.8Low63.8Low41 Ų4157.5 Ų57.525%0.24833%0.326CS..Hα-helixtrans-69.3-37.1170.5176.90000110.5K154 Q155 I180 L184K154-V157 WeakPolarHBondContact O-CB 3.4Å; K154-V157 PolarHBondContact O-N 3.5Å; Q155-V157 VanDerWaalsContact C-N 3.26Å; Q155-V157 PolarHBondContact O-N 3.27Å; V157-I180 HydrophobicContact CG2-CG2 3.59Å; V157-L184 HydrophobicContact CG2-CB 4.41Å
158S67.2Low63.9Low97 Ų9755.3 Ų55.368%0.67832%0.319SS*.Hα-helixtrans-86-36.4-178.6-58.90000112.9Q155 A156Q155-S158 CarbonylContact O-C 3.58Å; Q155-S158 PolarHBondContact O-N 2.99Å; A156-S158 VanDerWaalsContact C-N 3.34Å
159D63.3Low64.3Low68 Ų6858.6 Ų58.636%0.36434%0.339SS..  trans-137.1102.9-176.2-159.3-64.3000111.4Q155 T161Q155-D159 PolarHBondContact O-N 2.77Å; D159-T161 PolarHBondContact O-N 2.84Å; D159-T161 VanDerWaalsContact OD1-CB 3.29Å; D159-T161 WeakPolarHBondContact OD1-CB 3.48Å; D159-T161 WeakPolarHBondContact OD1-CG2 3.24Å; D159-T161 PolarHBondContact OD1-N 2.79Å; D159-T161 PolarHBondContact OD1-OG1 2.85Å
160P62.6Low64.3Low72 Ų7266.4 Ų66.447%0.46837%0.374SS..G310 helixtrans-750.3-17729.3-34.1000114.2R173P160-R173 PolarHBondContact O-NH2 2.91Å
161T62.8Low64.4Low94 Ų9469.9 Ų69.958%0.57739%0.392SS*.G310 helixtrans-78.6-20.8179.9680000113.3D159 L163 D164D159-T161 PolarHBondContact O-N 2.84Å; D159-T161 VanDerWaalsContact OD1-CB 3.29Å; D159-T161 WeakPolarHBondContact OD1-CB 3.48Å; D159-T161 WeakPolarHBondContact OD1-CG2 3.24Å; D159-T161 PolarHBondContact OD1-N 2.79Å; D159-T161 PolarHBondContact OD1-OG1 2.85Å; T161-L163 PolarHBondContact O-N 2.8Å; T161-D164 VanDerWaalsContact O-CB 3.23Å; T161-D164 WeakPolarHBondContact O-CB 3.3Å; T161-D164 PolarHBondContact O-N 2.84Å
162I64.2Low64.6Low25 Ų2566.7 Ų66.713%0.12838%0.375CS..G310 helixtrans-65.9-23.2178.1-56.8169000111.3F138 V152 Q155F138-I162 HydrophobicContact CE1-CG2 4.17Å; V152-I162 HydrophobicContact CG1-CG2 3.68Å; Q155-I162 HydrophobicContact CB-CD1 3.77Å; Q155-I162 HydrophobicContact CG-CD1 3.38Å
163L60.7Low64.8Low4 Ų469.8 Ų69.82%0.02139%0.386CS..G310 helixtrans-85.1-9.4175.6-77144.5000113.8A156 T161 L176 I177A156-L163 HydrophobicContact CB-CD1 3.61Å; A156-L163 HydrophobicContact CB-CG 4.4Å; T161-L163 PolarHBondContact O-N 2.8Å; L163-L176 HydrophobicContact CD2-CD2 3.43Å; L163-L176 VanDerWaalsContact CD2-CD2 3.43Å; L163-I177 HydrophobicContact CD1-CD1 4.23Å; L163-I177 HydrophobicContact CD1-CG1 3.95Å
164D57Low64.9Low108 Ų10873 Ų7358%0.57841%0.409SS*.THydrogen-bonded Turntrans-78.8-22.6-174.7-147.6-109.6000112.7T161 L166 R173T161-D164 VanDerWaalsContact O-CB 3.23Å; T161-D164 WeakPolarHBondContact O-CB 3.3Å; T161-D164 PolarHBondContact O-N 2.84Å; D164-L166 PolarHBondContact O-N 2.83Å; D164-R173 IonicContact OD2-CZ 3.09Å; D164-R173 VanDerWaalsContact OD2-CZ 3.26Å; D164-R173 IonicContact OD2-NH1 3.81Å; D164-R173 PolarHBondContact OD2-NH1 3.18Å; D164-R173 IonicContact OD2-NH2 3.19Å; D164-R173 PolarHBondContact OD2-NH2 2.96Å
165G54.4Low65.4Low74 Ų7468.8 Ų68.876%0.76339%0.393SS*.THydrogen-bonded Turntrans-83.814.2177.400000115
166L58.5Low65.9Low22 Ų2265 Ų6512%0.11538%0.376CS..SBendtrans-111.8133.8-179.2-76.192.7000111.1R133 T134 F138 D164 L168R133-L166 WeakPolarHBondContact O-CD2 3.4Å; T134-L166 HydrophobicContact CG2-CD2 3.88Å; F138-L166 HydrophobicContact CE1-CD1 3.86Å; F138-L166 HydrophobicContact CE2-CD1 4.42Å; F138-L166 HydrophobicContact CE2-CD2 3.96Å; F138-L166 HydrophobicContact CZ-CD1 3.47Å; F138-L166 VanDerWaalsContact CZ-CD1 3.47Å; F138-L166 HydrophobicContact CZ-CD2 3.81Å; F138-L166 HydrophobicContact CZ-CG 4.31Å; D164-L166 PolarHBondContact O-N 2.83Å; L166-L168 HydrophobicContact CB-CD1 3.82Å; L166-L168 HydrophobicContact CB-CG 4.03Å; L166-L168 HydrophobicContact CD2-CD1 3.94Å; L166-L168 HydrophobicContact CG-CD1 4.49Å; L166-L168 PolarHBondContact O-N 2.8Å
167D52.5Low66.3Low148 Ų14866.7 Ų66.779%0.79138%0.383SS*.  trans-68.264.3167.7-75.8-89.2000111.4
168L62.6Low66.7Low27 Ų2767.7 Ų67.714%0.14139%0.387CS..  trans-108.1144.3173.4-72.1164000109.7L130 T134 L166 E172L130-L168 HydrophobicContact CD1-CD2 3.9Å; T134-L168 HydrophobicContact CG2-CD1 3.76Å; T134-L168 HydrophobicContact CG2-CD2 3.75Å; T134-L168 HydrophobicContact CG2-CG 4.19Å; L166-L168 HydrophobicContact CB-CD1 3.82Å; L166-L168 HydrophobicContact CB-CG 4.03Å; L166-L168 HydrophobicContact CD2-CD1 3.94Å; L166-L168 HydrophobicContact CG-CD1 4.49Å; L166-L168 PolarHBondContact O-N 2.8Å; L168-E172 HydrophobicContact CD2-CB 4.37Å
169T68.1Low67.2Low72 Ų7263.5 Ų63.544%0.44236%0.357SS..  trans-64.6141.5170.7-43.20000108.5E171 E172 R173T169-E171 HydrophobicContact CG2-CB 4.42Å; T169-E171 PolarHBondContact O-N 3.43Å; T169-E171 VanDerWaalsContact O-N 3.09Å; T169-E172 WeakPolarHBondContact CB-OE2 3.21Å; T169-E172 PolarHBondContact N-OE2 3.07Å; T169-E172 WeakPolarHBondContact O-CB 3.4Å; T169-E172 PolarHBondContact O-N 2.81Å; T169-E172 PolarHBondContact OG1-OE2 2.97Å; T169-R173 PolarHBondContact O-N 3.2Å
170E66Low67.8Low170 Ų17060.4 Ų60.479%0.79434%0.341SS*.Hα-helixtrans-55.3-32.1-178.9-166.7169.489.900112.2R173 S174E170-R173 PolarHBondContact O-N 3.17Å; E170-S174 PolarHBondContact O-N 2.96Å; E170-S174 VanDerWaalsContact O-N 3.1Å
171E69.6Low68.3Low141 Ų14159.9 Ų59.966%0.65933%0.334SS*.Hα-helixtrans-65-46.4173.4-60.8-173.191.300112.6T169 R173 S174 V175T169-E171 HydrophobicContact CG2-CB 4.42Å; T169-E171 PolarHBondContact O-N 3.43Å; T169-E171 VanDerWaalsContact O-N 3.09Å; E171-R173 VanDerWaalsContact C-N 3.31Å; E171-R173 PolarHBondContact O-N 3.35Å; E171-S174 PolarHBondContact O-N 3.12Å; E171-S174 PolarHBondContact O-OG 3.2Å; E171-V175 WeakPolarHBondContact O-CG2 3.43Å; E171-V175 PolarHBondContact O-N 3.05Å
172E72.8Confident68.8Low20 Ų2064.2 Ų64.29%0.09334%0.34CS..Hα-helixtrans-62.8-40.5177.9-63.8167.1153.700110.7L119 Y121 L168 T169 L176L119-E172 HydrophobicContact CD1-CB 4.43Å; L119-E172 HydrophobicContact CD1-CG 3.9Å; Y121-E172 PolarHBondContact OH-OE1 2.98Å; L168-E172 HydrophobicContact CD2-CB 4.37Å; T169-E172 WeakPolarHBondContact CB-OE2 3.21Å; T169-E172 PolarHBondContact N-OE2 3.07Å; T169-E172 WeakPolarHBondContact O-CB 3.4Å; T169-E172 PolarHBondContact O-N 2.81Å; T169-E172 PolarHBondContact OG1-OE2 2.97Å; E172-L176 WeakPolarHBondContact O-CB 3.42Å; E172-L176 PolarHBondContact O-N 3.45Å
173R71.6Confident69.1Low65 Ų6571.2 Ų71.225%0.24537%0.365CS..Hα-helixtrans-64-45.3178.9-175.1179.4179.5-1803.7111.8P160 D164 T169 E170 E171 L176 I177P160-R173 PolarHBondContact O-NH2 2.91Å; D164-R173 IonicContact OD2-CZ 3.09Å; D164-R173 VanDerWaalsContact OD2-CZ 3.26Å; D164-R173 IonicContact OD2-NH1 3.81Å; D164-R173 PolarHBondContact OD2-NH1 3.18Å; D164-R173 IonicContact OD2-NH2 3.19Å; D164-R173 PolarHBondContact OD2-NH2 2.96Å; T169-R173 PolarHBondContact O-N 3.2Å; E170-R173 PolarHBondContact O-N 3.17Å; E171-R173 VanDerWaalsContact C-N 3.31Å; E171-R173 PolarHBondContact O-N 3.35Å; R173-L176 PolarHBondContact O-N 3.13Å; R173-I177 HydrophobicContact CG-CD1 3.87Å; R173-I177 VanDerWaalsContact O-CG1 3.3Å; R173-I177 WeakPolarHBondContact O-CG1 3.4Å; R173-I177 PolarHBondContact O-N 2.98Å
174S74.5Confident69.4Low71 Ų7171.9 Ų71.950%0.49737%0.368SS..Hα-helixtrans-64.7-43.6-179.270.50000112.2E170 E171 L176 I177 D178E170-S174 PolarHBondContact O-N 2.96Å; E170-S174 VanDerWaalsContact O-N 3.1Å; E171-S174 PolarHBondContact O-N 3.12Å; E171-S174 PolarHBondContact O-OG 3.2Å; S174-L176 VanDerWaalsContact C-N 3.34Å; S174-I177 PolarHBondContact O-N 3.46Å; S174-D178 PolarHBondContact O-N 3.09Å
175V79.3Confident69.6Low32 Ų3269.9 Ų69.919%0.19436%0.36CS..Hα-helixtrans-67.8-36.6177.7176.20000111.3V115 V118 E171 N179V115-V175 HydrophobicContact CG1-CG1 4.24Å; V115-V175 HydrophobicContact CG2-CG1 4.36Å; V118-V175 HydrophobicContact CB-CG1 4.23Å; V118-V175 HydrophobicContact CG1-CG1 3.83Å; E171-V175 WeakPolarHBondContact O-CG2 3.43Å; E171-V175 PolarHBondContact O-N 3.05Å; V175-N179 WeakPolarHBondContact O-CB 3.38Å; V175-N179 PolarHBondContact O-N 3.49Å; V175-N179 PolarHBondContact O-ND2 3.49Å
176L77.4Confident70Confident4 Ų469 Ų692%0.02134%0.34CS..Hα-helixtrans-65.2-47.5174.7-170.2112.4000110.8V115 L163 E172 R173 S174 N179 I180V115-L176 HydrophobicContact CG2-CB 4.48Å; V115-L176 HydrophobicContact CG2-CD1 4.36Å; L163-L176 HydrophobicContact CD2-CD2 3.43Å; L163-L176 VanDerWaalsContact CD2-CD2 3.43Å; E172-L176 WeakPolarHBondContact O-CB 3.42Å; E172-L176 PolarHBondContact O-N 3.45Å; R173-L176 PolarHBondContact O-N 3.13Å; S174-L176 VanDerWaalsContact C-N 3.34Å; L176-N179 PolarHBondContact O-N 3.49Å; L176-I180 HydrophobicContact CD2-CD1 3.47Å; L176-I180 VanDerWaalsContact CD2-CD1 3.47Å; L176-I180 HydrophobicContact CG-CD1 3.74Å; L176-I180 HydrophobicContact CG-CG1 4.35Å; L176-I180 WeakPolarHBondContact O-CB 3.36Å; L176-I180 WeakPolarHBondContact O-CG1 3.19Å; L176-I180 PolarHBondContact O-N 3.4Å
177I77.3Confident70.1Confident46 Ų4676.2 Ų76.224%0.23637%0.374CS..Hα-helixtrans-63.5-43.6178.4-69168.9000111.5L163 R173 S174 N179 I180 N181L163-I177 HydrophobicContact CD1-CD1 4.23Å; L163-I177 HydrophobicContact CD1-CG1 3.95Å; R173-I177 HydrophobicContact CG-CD1 3.87Å; R173-I177 VanDerWaalsContact O-CG1 3.3Å; R173-I177 WeakPolarHBondContact O-CG1 3.4Å; R173-I177 PolarHBondContact O-N 2.98Å; S174-I177 PolarHBondContact O-N 3.46Å; I177-N179 VanDerWaalsContact C-N 3.31Å; I177-N179 PolarHBondContact O-N 3.21Å; I177-I180 PolarHBondContact O-N 3.47Å; I177-N181 WeakPolarHBondContact O-CB 3.46Å; I177-N181 PolarHBondContact O-N 3.02Å; I177-N181 PolarHBondContact O-ND2 3.42Å
178D78.9Confident70.8Confident62 Ų6271.8 Ų71.833%0.33236%0.358SS..Hα-helixtrans-60.2-42.1175.5175.4-97.1000111.1S174 N181 R182S174-D178 PolarHBondContact O-N 3.09Å; D178-N181 PolarHBondContact O-N 2.96Å; D178-R182 WeakPolarHBondContact O-CB 3.31Å; D178-R182 VanDerWaalsContact O-CG 3.27Å; D178-R182 WeakPolarHBondContact O-CG 3.47Å; D178-R182 PolarHBondContact O-N 2.89Å; D178-R182 WeakPolarHBondContact OD1-CD 3.46Å; D178-R182 IonicContact OD1-CZ 2.69Å; D178-R182 IonicContact OD1-NE 3.96Å; D178-R182 PolarHBondContact OD1-NE 3.33Å; D178-R182 IonicContact OD1-NH1 3.77Å; D178-R182 IonicContact OD1-NH2 2.68Å; D178-R182 PolarHBondContact OD1-NH2 3.38Å; D178-R182 IonicContact OD2-CZ 2.58Å; D178-R182 IonicContact OD2-NE 3.64Å; D178-R182 PolarHBondContact OD2-NE 2.93Å; D178-R182 VanDerWaalsContact OD2-NE 3.09Å; D178-R182 IonicContact OD2-NH2 2.8Å; D178-R182 PolarHBondContact OD2-NH2 2.81Å; D178-R182 VanDerWaalsContact OD2-NH2 3.09Å
179N76.3Confident71.4Confident9 Ų971.8 Ų71.85%0.04836%0.358CS..Hα-helixtrans-70.1-39.4177.7-90.6-69.4000114.1I111 H114 V115 V175 L176 I177 N181 R182 R183I111-N179 HydrophobicContact CG2-CB 4.24Å; H114-N179 PolarHBondContact CD2-OD1 2.86Å; V115-N179 HydrophobicContact CG2-CB 4.04Å; V175-N179 WeakPolarHBondContact O-CB 3.38Å; V175-N179 PolarHBondContact O-N 3.49Å; V175-N179 PolarHBondContact O-ND2 3.49Å; L176-N179 PolarHBondContact O-N 3.49Å; I177-N179 VanDerWaalsContact C-N 3.31Å; I177-N179 PolarHBondContact O-N 3.21Å; N179-N181 VanDerWaalsContact C-N 3.34Å; N179-R182 PolarHBondContact O-N 2.83Å; N179-R183 WeakPolarHBondContact O-CB 3.29Å; N179-R183 WeakPolarHBondContact O-CG 3.19Å; N179-R183 PolarHBondContact O-N 3.2Å
180I77.3Confident71.7Confident3 Ų371.9 Ų71.92%0.01535%0.353CS..Hα-helixtrans-62.5-46.2173.9-67.7169.7000108.8I111 F153 V157 L176 I177 R182 R183 L184I111-I180 HydrophobicContact CG2-CG1 4.16Å; F153-I180 HydrophobicContact CD1-CD1 3.49Å; F153-I180 VanDerWaalsContact CD1-CD1 3.49Å; F153-I180 HydrophobicContact CD1-CG1 3.57Å; F153-I180 HydrophobicContact CE1-CD1 3.58Å; F153-I180 HydrophobicContact CE1-CG1 3.81Å; F153-I180 HydrophobicContact CG-CD1 4.18Å; F153-I180 HydrophobicContact CZ-CD1 4.38Å; F153-I180 WeakPolarHBondContact O-CG2 3.33Å; V157-I180 HydrophobicContact CG2-CG2 3.59Å; L176-I180 HydrophobicContact CD2-CD1 3.47Å; L176-I180 VanDerWaalsContact CD2-CD1 3.47Å; L176-I180 HydrophobicContact CG-CD1 3.74Å; L176-I180 HydrophobicContact CG-CG1 4.35Å; L176-I180 WeakPolarHBondContact O-CB 3.36Å; L176-I180 WeakPolarHBondContact O-CG1 3.19Å; L176-I180 PolarHBondContact O-N 3.4Å; I177-I180 PolarHBondContact O-N 3.47Å; I180-R182 PolarHBondContact O-N 2.65Å; I180-R183 PolarHBondContact O-N 3.45Å; I180-L184 HydrophobicContact CG2-CB 4.13Å; I180-L184 HydrophobicContact CG2-CD2 4.44Å; I180-L184 VanDerWaalsContact O-CA 3.27Å; I180-L184 WeakPolarHBondContact O-CA 3.28Å; I180-L184 WeakPolarHBondContact O-CB 3.28Å; I180-L184 PolarHBondContact O-N 3.41Å
181N73.3Confident72.5Confident60 Ų6063.8 Ų63.832%0.32132%0.315SS..Hα-helixtrans-61.7-47.3175.4-77.3-31.3000111.1I177 D178 N179 R183 T185I177-N181 WeakPolarHBondContact O-CB 3.46Å; I177-N181 PolarHBondContact O-N 3.02Å; I177-N181 PolarHBondContact O-ND2 3.42Å; D178-N181 PolarHBondContact O-N 2.96Å; N179-N181 VanDerWaalsContact C-N 3.34Å; N181-R183 VanDerWaalsContact C-N 3.3Å; N181-R183 PolarHBondContact O-N 3.24Å; N181-T185 VanDerWaalsContact C-OG1 3.24Å; N181-T185 WeakPolarHBondContact CA-OG1 3.42Å; N181-T185 WeakPolarHBondContact O-CB 3.46Å; N181-T185 PolarHBondContact O-N 3.4Å; N181-T185 PolarHBondContact O-OG1 2.77Å
182R73.7Confident73Confident186 Ų18658 Ų5870%0.70229%0.287SS*.Hα-helixtrans-62.9-33.1-179.7-73.6177.2-170.6-165.89.2114.3D178 N179 I180D178-R182 WeakPolarHBondContact O-CB 3.31Å; D178-R182 VanDerWaalsContact O-CG 3.27Å; D178-R182 WeakPolarHBondContact O-CG 3.47Å; D178-R182 PolarHBondContact O-N 2.89Å; D178-R182 WeakPolarHBondContact OD1-CD 3.46Å; D178-R182 IonicContact OD1-CZ 2.69Å; D178-R182 IonicContact OD1-NE 3.96Å; D178-R182 PolarHBondContact OD1-NE 3.33Å; D178-R182 IonicContact OD1-NH1 3.77Å; D178-R182 IonicContact OD1-NH2 2.68Å; D178-R182 PolarHBondContact OD1-NH2 3.38Å; D178-R182 IonicContact OD2-CZ 2.58Å; D178-R182 IonicContact OD2-NE 3.64Å; D178-R182 PolarHBondContact OD2-NE 2.93Å; D178-R182 VanDerWaalsContact OD2-NE 3.09Å; D178-R182 IonicContact OD2-NH2 2.8Å; D178-R182 PolarHBondContact OD2-NH2 2.81Å; D178-R182 VanDerWaalsContact OD2-NH2 3.09Å; N179-R182 PolarHBondContact O-N 2.83Å; I180-R182 PolarHBondContact O-N 2.65Å
183R69.1Low73.5Confident172 Ų17257 Ų5765%0.64928%0.283SS*.Hα-helixtrans-98.7-29.9-175-70.7-66.9-170.7-166.3-0.5114.2I111 N179 I180 N181I111-R183 HydrophobicContact CD1-CB 4.32Å; I111-R183 HydrophobicContact CG1-CB 4.19Å; I111-R183 HydrophobicContact CG1-CG 4.33Å; N179-R183 WeakPolarHBondContact O-CB 3.29Å; N179-R183 WeakPolarHBondContact O-CG 3.19Å; N179-R183 PolarHBondContact O-N 3.2Å; I180-R183 PolarHBondContact O-N 3.45Å; N181-R183 VanDerWaalsContact C-N 3.3Å; N181-R183 PolarHBondContact O-N 3.24Å
184L67.8Low74.1Confident17 Ų1755.3 Ų55.39%0.08928%0.279CS..Hα-helixtrans-118.6-4-170-117.471.5000113.6T107 I111 Y150 F153 V157 I180 P186T107-L184 HydrophobicContact CG2-CD1 3.7Å; I111-L184 HydrophobicContact CD1-CD1 3.92Å; Y150-L184 HydrophobicContact CE2-CD1 4.05Å; Y150-L184 HydrophobicContact CE2-CD2 4.22Å; Y150-L184 HydrophobicContact CE2-CG 4.38Å; F153-L184 HydrophobicContact CB-CD2 3.78Å; V157-L184 HydrophobicContact CG2-CB 4.41Å; I180-L184 HydrophobicContact CG2-CB 4.13Å; I180-L184 HydrophobicContact CG2-CD2 4.44Å; I180-L184 VanDerWaalsContact O-CA 3.27Å; I180-L184 WeakPolarHBondContact O-CA 3.28Å; I180-L184 WeakPolarHBondContact O-CB 3.28Å; I180-L184 PolarHBondContact O-N 3.41Å; L184-P186 VanDerWaalsContact O-CD 3.31Å; L184-P186 WeakPolarHBondContact O-CD 3.47Å
185T61.8Low74.5Confident67 Ų6752 Ų5241%0.41126%0.255SS..SBendtrans-54.9119.4171.6-66.10000107.5N181 Q187N181-T185 VanDerWaalsContact C-OG1 3.24Å; N181-T185 WeakPolarHBondContact CA-OG1 3.42Å; N181-T185 WeakPolarHBondContact O-CB 3.46Å; N181-T185 PolarHBondContact O-N 3.4Å; N181-T185 PolarHBondContact O-OG1 2.77Å; T185-Q187 PolarHBondContact O-N 3.47Å
186P62.6Low74.7Confident54 Ų5452.5 Ų52.535%0.35126%0.255SS..PPolyproline II helixtrans-56.9117176.521.9-30.3000107.3L184 A188 L242L184-P186 VanDerWaalsContact O-CD 3.31Å; L184-P186 WeakPolarHBondContact O-CD 3.47Å; P186-A188 PolarHBondContact O-N 3.5Å; P186-L242 HydrophobicContact CG-CB 4.5Å; P186-L242 WeakPolarHBondContact O-CD2 3.44Å
187Q60.6Low74.7Confident175 Ų17552.5 Ų52.582%0.81826%0.256SS*.PPolyproline II helixtrans-58.4129.3170.9-67.8-174.2-0.900106.9T185 V189T185-Q187 PolarHBondContact O-N 3.47Å; Q187-V189 WeakPolarHBondContact O-CG2 3.36Å; Q187-V189 PolarHBondContact O-N 3.03Å
188A66.8Low74.8Confident55 Ų5551 Ų5146%0.45525%0.25SS..PPolyproline II helixtrans-56.3119.7-176.800000109P186 T240 T241 L242P186-A188 PolarHBondContact O-N 3.5Å; A188-T240 HydrophobicContact CB-CG2 3.48Å; A188-T240 VanDerWaalsContact CB-CG2 3.48Å; A188-T241 CarbonylContact C-O 3.59Å; A188-L242 HydrophobicContact CB-CD2 4.17Å
189V74.9Confident74.7Confident26 Ų2649.4 Ų49.416%0.15824%0.243CC..EExtended strand (participates in β ladder)trans-87126.8-176.6-179.30000107.3Q187 T241 V277Q187-V189 WeakPolarHBondContact O-CG2 3.36Å; Q187-V189 PolarHBondContact O-N 3.03Å; V189-T241 PolarHBondContact N-O 3.18Å; V189-T241 PolarHBondContact O-N 2.99Å; V189-V277 HydrophobicContact CG1-CB 3.97Å; V189-V277 HydrophobicContact CG1-CG1 3.15Å; V189-V277 HydrophobicContact CG1-CG2 3.78Å
190K75.2Confident74.6Confident75 Ų7558.2 Ų58.233%0.32628%0.277SS..EExtended strand (participates in β ladder)trans-79.7127.6170.8-65.5176.4-172.6159.80108.4T239 V278 E283K190-T239 CarbonylContact C-O 3.46Å; K190-T239 VanDerWaalsContact CA-O 3.28Å; K190-T239 WeakPolarHBondContact CA-O 3.31Å; K190-V278 HydrophobicContact CB-CB 4.18Å; K190-V278 HydrophobicContact CB-CG2 4.46Å; K190-V278 WeakPolarHBondContact O-CB 3.49Å; K190-V278 PolarHBondContact O-N 2.93Å; K190-E283 IonicContact NZ-OE1 2.7Å; K190-E283 PolarHBondContact NZ-OE1 2.96Å; K190-E283 IonicContact NZ-OE2 2.9Å; K190-E283 PolarHBondContact NZ-OE2 3.35Å
191I82.6Confident74.3Confident0 Ų060.1 Ų60.10%030%0.298CS..EExtended strand (participates in β ladder)trans-109.4133.2171.9-51.4171.5000107.1T238 T239 T241 L248 L251 P275 K276 V277I191-T238 CarbonylContact O-C 3.45Å; I191-T238 WeakPolarHBondContact O-CA 3.38Å; I191-T239 HydrophobicContact CB-CG2 3.72Å; I191-T239 HydrophobicContact CD1-CG2 4.4Å; I191-T239 HydrophobicContact CG1-CG2 4.37Å; I191-T239 PolarHBondContact N-O 3.08Å; I191-T239 PolarHBondContact O-N 2.98Å; I191-T241 HydrophobicContact CD1-CG2 4.36Å; I191-L248 HydrophobicContact CD1-CG 4.44Å; I191-L248 HydrophobicContact CG2-CD2 4.1Å; I191-L251 HydrophobicContact CB-CD1 3.64Å; I191-L251 HydrophobicContact CG2-CD1 3.25Å; I191-P275 HydrophobicContact CG2-CB 3.97Å; I191-K276 WeakPolarHBondContact CA-O 3.28Å; I191-V277 HydrophobicContact CG1-CG2 4.22Å
192R79.1Confident74Confident18 Ų1869.2 Ų69.27%0.06833%0.329CS..EExtended strand (participates in β ladder)trans-121.7142.4-179.2173.8179.4168.9-167.7-1.8110D194 V236 M237 M273 P275 K276 V278 L286R192-D194 IonicContact CZ-OD1 3.09Å; R192-D194 IonicContact CZ-OD2 2.99Å; R192-D194 IonicContact NE-OD1 3.75Å; R192-D194 PolarHBondContact NE-OD1 2.78Å; R192-D194 IonicContact NE-OD2 2.71Å; R192-D194 VanDerWaalsContact NH2-CG 3.32Å; R192-D194 IonicContact NH2-OD1 2.89Å; R192-D194 PolarHBondContact NH2-OD1 3.36Å; R192-D194 IonicContact NH2-OD2 2.84Å; R192-D194 PolarHBondContact NH2-OD2 3.31Å; R192-V236 HydrophobicContact CG-CG2 3.67Å; R192-M237 CarbonylContact C-O 3.6Å; R192-M237 VanDerWaalsContact CA-O 3.29Å; R192-M237 WeakPolarHBondContact CA-O 3.16Å; R192-M273 HydrophobicContact CG-CE 4.07Å; R192-P275 CarbonylContact O-C 3.24Å; R192-P275 VanDerWaalsContact O-CA 3.28Å; R192-P275 WeakPolarHBondContact O-CA 3.48Å; R192-K276 PolarHBondContact N-O 3.13Å; R192-K276 PolarHBondContact O-N 2.94Å; R192-V278 HydrophobicContact CB-CG2 3.22Å; R192-V278 HydrophobicContact CG-CG2 4.38Å; R192-L286 VanDerWaalsContact NH1-CD1 3.33Å
193A82.9Confident73.9Confident0 Ų067.7 Ų67.70%033%0.33CS..EExtended strand (participates in β ladder)trans-135.1151160.500000110.3M237 M273 P275A193-M237 HydrophobicContact CB-CE 3.15Å; A193-M237 HydrophobicContact CB-CG 3.71Å; A193-M237 HydrophobicContact CB-SD 4.24Å; A193-M237 PolarHBondContact N-O 3.23Å; A193-M237 WeakPolarHBondContact O-CG 3.42Å; A193-M237 PolarHBondContact O-N 2.87Å; A193-M273 WeakPolarHBondContact CB-O 3.34Å; A193-P275 HydrophobicContact CB-CB 4.14Å
194D84Confident74Confident30 Ų3059.9 Ų59.916%0.1630%0.303CS..EExtended strand (participates in β ladder)trans-110118.3176.5-61.2-23.5000108.2R192 V236 Q272 M273R192-D194 IonicContact CZ-OD1 3.09Å; R192-D194 IonicContact CZ-OD2 2.99Å; R192-D194 IonicContact NE-OD1 3.75Å; R192-D194 PolarHBondContact NE-OD1 2.78Å; R192-D194 IonicContact NE-OD2 2.71Å; R192-D194 VanDerWaalsContact NH2-CG 3.32Å; R192-D194 IonicContact NH2-OD1 2.89Å; R192-D194 PolarHBondContact NH2-OD1 3.36Å; R192-D194 IonicContact NH2-OD2 2.84Å; R192-D194 PolarHBondContact NH2-OD2 3.31Å; D194-V236 WeakPolarHBondContact OD1-CG2 3.12Å; D194-Q272 HydrophobicContact CB-CB 4.12Å; D194-Q272 PolarHBondContact O-N 3.38Å; D194-M273 HydrophobicContact CB-CB 3.88Å; D194-M273 PolarHBondContact N-O 3.48Å; D194-M273 VanDerWaalsContact N-O 3.08Å; D194-M273 PolarHBondContact O-N 3.48Å; D194-M273 VanDerWaalsContact O-N 3.14Å
195I83.2Confident74.3Confident1 Ų165.2 Ų65.21%0.00533%0.33CS..EExtended strand (participates in β ladder)trans-116.4140.6-17965.4-179.2000109.2V197 Y235 M237 M255 I258 F269I195-V197 HydrophobicContact CD1-CG2 4.29Å; I195-V197 HydrophobicContact CG1-CG2 4.33Å; I195-Y235 PolarHBondContact N-O 3.47Å; I195-Y235 PolarHBondContact O-N 3.41Å; I195-M237 HydrophobicContact CG2-CE 4.43Å; I195-M237 HydrophobicContact CG2-SD 4.45Å; I195-M255 HydrophobicContact CG2-CG 4.34Å; I195-M255 HydrophobicContact CG2-SD 4.23Å; I195-I258 HydrophobicContact CD1-CD1 4.29Å; I195-F269 HydrophobicContact CB-CE2 3.9Å; I195-F269 HydrophobicContact CB-CZ 4.05Å; I195-F269 HydrophobicContact CD1-CE2 4.25Å; I195-F269 HydrophobicContact CG2-CE2 4.15Å; I195-F269 HydrophobicContact CG2-CZ 3.81Å
196E83.3Confident75.1Confident42 Ų4266.4 Ų66.420%0.19633%0.334CS..EExtended strand (participates in β ladder)trans-109.5121.5174.1-166.5174.789.100108P233 R234 F269 N270 Q272E196-P233 CarbonylContact C-O 3.58Å; E196-P233 VanDerWaalsContact CA-O 3.32Å; E196-P233 WeakPolarHBondContact CA-O 3.44Å; E196-P233 HydrophobicContact CG-CB 3.98Å; E196-P233 HydrophobicContact CG-CG 3.7Å; E196-R234 IonicContact OE2-NE 3.9Å; E196-F269 WeakPolarHBondContact O-CA 3.44Å; E196-N270 WeakPolarHBondContact CA-O 3.5Å; E196-N270 HydrophobicContact CB-CB 4.17Å; E196-N270 WeakPolarHBondContact CB-O 3.44Å; E196-N270 PolarHBondContact N-O 3.35Å; E196-N270 PolarHBondContact O-N 2.9Å; E196-Q272 HydrophobicContact CB-CG 4.32Å; E196-Q272 PolarHBondContact OE2-NE2 3.22Å
197V78.2Confident75.8Confident5 Ų564.1 Ų64.13%0.0332%0.32CS..EExtended strand (participates in β ladder)trans-124.3116.3-177.2176.70000108I195 V208 P233 Y235 I262 F269I195-V197 HydrophobicContact CD1-CG2 4.29Å; I195-V197 HydrophobicContact CG1-CG2 4.33Å; V197-V208 HydrophobicContact CG1-CB 4.35Å; V197-V208 HydrophobicContact CG1-CG1 3.91Å; V197-V208 HydrophobicContact CG1-CG2 3.61Å; V197-P233 PolarHBondContact N-O 2.94Å; V197-P233 WeakPolarHBondContact O-CB 3.4Å; V197-Y235 HydrophobicContact CB-CD2 3.94Å; V197-Y235 HydrophobicContact CB-CE2 3.82Å; V197-Y235 HydrophobicContact CG2-CD2 4.14Å; V197-Y235 HydrophobicContact CG2-CE2 4.46Å; V197-I262 HydrophobicContact CB-CD1 4.15Å; V197-I262 HydrophobicContact CG1-CD1 3.38Å; V197-I262 HydrophobicContact CG1-CG1 4.12Å; V197-I262 HydrophobicContact CG2-CD1 3.77Å; V197-F269 HydrophobicContact CG2-CD2 3.92Å; V197-F269 HydrophobicContact CG2-CE2 4.13Å
198A79.4Confident76.7Confident15 Ų1556.3 Ų56.312%0.12428%0.284CS..EExtended strand (participates in β ladder)trans-126.5122.8175.800000110.2Y200 P233 G267 V268A198-Y200 HydrophobicContact CB-CE2 4.15Å; A198-P233 HydrophobicContact CB-CB 4.23Å; A198-G267 CarbonylContact O-C 3.55Å; A198-G267 WeakPolarHBondContact O-CA 3.44Å; A198-V268 PolarHBondContact N-O 2.83Å; A198-V268 PolarHBondContact O-N 3.42Å
199C76.5Confident77.4Confident27 Ų2760.1 Ų60.118%0.18229%0.29CS..EExtended strand (participates in β ladder)trans-118.9120.8171-73.90000108.9V208C199-V208 HydrophobicContact CB-CG2 3.99Å
200Y74.8Confident77.7Confident194 Ų19463 Ų6376%0.76130%0.302SS*.  trans-93.98.7-178.2-60.8-78.6000113.6A198 V268A198-Y200 HydrophobicContact CB-CE2 4.15Å; Y200-V268 HydrophobicContact CE2-CG2 4.2Å
201G71.3Confident78Confident43 Ų4359.4 Ų59.444%0.44329%0.287SS..SBendtrans-82.1158.7178.500000113.4E203 G204G201-E203 PolarHBondContact O-N 3.49Å; G201-G204 WeakPolarHBondContact O-CA 3.31Å; G201-G204 PolarHBondContact O-N 2.92Å
202Y66.8Low77.9Confident252 Ų25260.6 Ų60.699%0.98829%0.293SS*.THydrogen-bonded Turntrans-60.8-29.1177.5-160.8-99000112.7
203E72Confident78.1Confident154 Ų15469 Ų6972%0.7233%0.325SS*.THydrogen-bonded Turntrans-100.422.8171.9-71176.98600113G201 I205 D206 A207G201-E203 PolarHBondContact O-N 3.49Å; E203-I205 VanDerWaalsContact C-N 3.28Å; E203-I205 PolarHBondContact O-N 2.51Å; E203-D206 PolarHBondContact O-N 3.25Å; E203-D206 VanDerWaalsContact O-N 3.13Å; E203-A207 PolarHBondContact O-N 3.47Å; E203-A207 VanDerWaalsContact O-N 3.08Å
204G70.2Confident77.9Confident8 Ų869.8 Ų69.88%0.08233%0.331CS..Hα-helixtrans-58.3-35-173.400000114.1G201 A207 V208G201-G204 WeakPolarHBondContact O-CA 3.31Å; G201-G204 PolarHBondContact O-N 2.92Å; G204-A207 WeakPolarHBondContact O-CB 3.2Å; G204-A207 PolarHBondContact O-N 3.18Å; G204-V208 VanDerWaalsContact O-CG2 3.26Å; G204-V208 WeakPolarHBondContact O-CG2 3.41Å; G204-V208 PolarHBondContact O-N 3.49Å
205I74.3Confident77.5Confident129 Ų12968.4 Ų68.466%0.66232%0.324SS*.Hα-helixtrans-68.5-37.7179.9-58.3170.1000111.2E203 K209E203-I205 VanDerWaalsContact C-N 3.28Å; E203-I205 PolarHBondContact O-N 2.51Å; I205-K209 HydrophobicContact CG2-CD 4.28Å; I205-K209 WeakPolarHBondContact O-CB 3.27Å; I205-K209 WeakPolarHBondContact O-CG 3.43Å; I205-K209 PolarHBondContact O-N 3.41Å
206D78.4Confident77.2Confident92 Ų9271.9 Ų71.949%0.49234%0.342SS..Hα-helixtrans-72.7-40179-158.3-97.3000110.8E203 V208 K209 E210E203-D206 PolarHBondContact O-N 3.25Å; E203-D206 VanDerWaalsContact O-N 3.13Å; D206-V208 PolarHBondContact O-N 3.24Å; D206-K209 PolarHBondContact O-N 3.42Å; D206-E210 WeakPolarHBondContact O-CB 3.46Å; D206-E210 PolarHBondContact O-N 3.02Å
207A77.8Confident76.8Confident5 Ų573.8 Ų73.84%0.04137%0.365CS..Hα-helixtrans-53.5-49.1170.700000112.7E203 G204 E210 A211 K265E203-A207 PolarHBondContact O-N 3.47Å; E203-A207 VanDerWaalsContact O-N 3.08Å; G204-A207 WeakPolarHBondContact O-CB 3.2Å; G204-A207 PolarHBondContact O-N 3.18Å; A207-E210 PolarHBondContact O-N 3.07Å; A207-A211 WeakPolarHBondContact O-CB 3.29Å; A207-A211 PolarHBondContact O-N 3.36Å; A207-K265 HydrophobicContact CB-CB 4.06Å; A207-K265 HydrophobicContact CB-CD 3.27Å; A207-K265 HydrophobicContact CB-CG 4.26Å
208V79.8Confident76.4Confident12 Ų1276 Ų767%0.07338%0.38CS..Hα-helixtrans-67.9-43.4-179.8175.10000110.8V197 C199 G204 D206 E210 A211 L212 Y235V197-V208 HydrophobicContact CG1-CB 4.35Å; V197-V208 HydrophobicContact CG1-CG1 3.91Å; V197-V208 HydrophobicContact CG1-CG2 3.61Å; C199-V208 HydrophobicContact CB-CG2 3.99Å; G204-V208 VanDerWaalsContact O-CG2 3.26Å; G204-V208 WeakPolarHBondContact O-CG2 3.41Å; G204-V208 PolarHBondContact O-N 3.49Å; D206-V208 PolarHBondContact O-N 3.24Å; V208-E210 VanDerWaalsContact C-N 3.33Å; V208-E210 PolarHBondContact O-N 3.28Å; V208-A211 PolarHBondContact O-N 2.73Å; V208-L212 HydrophobicContact CG1-CD1 3.83Å; V208-L212 HydrophobicContact CG1-CG 4.21Å; V208-L212 WeakPolarHBondContact O-CB 3.49Å; V208-L212 WeakPolarHBondContact O-CG 3.21Å; V208-L212 PolarHBondContact O-N 3.37Å; V208-Y235 HydrophobicContact CG1-CE2 4.46Å
209K81.3Confident75.6Confident135 Ų13576.9 Ų76.959%0.58739%0.385SS*.Hα-helixtrans-61.8-39.9176.8-76.7176.3-178.61760112.4I205 D206 R213I205-K209 HydrophobicContact CG2-CD 4.28Å; I205-K209 WeakPolarHBondContact O-CB 3.27Å; I205-K209 WeakPolarHBondContact O-CG 3.43Å; I205-K209 PolarHBondContact O-N 3.41Å; D206-K209 PolarHBondContact O-N 3.42Å; K209-R213 VanDerWaalsContact O-CB 3.25Å; K209-R213 WeakPolarHBondContact O-CB 3.38Å; K209-R213 PolarHBondContact O-N 2.74Å
210E81.8Confident75.3Confident85 Ų8579.7 Ų79.740%0.39740%0.402SS..Hα-helixtrans-70.8-38.1178.8-170.5175.971.600112.4D206 A207 V208 R213 A214 K265D206-E210 WeakPolarHBondContact O-CB 3.46Å; D206-E210 PolarHBondContact O-N 3.02Å; A207-E210 PolarHBondContact O-N 3.07Å; V208-E210 VanDerWaalsContact C-N 3.33Å; V208-E210 PolarHBondContact O-N 3.28Å; E210-R213 PolarHBondContact O-N 2.94Å; E210-A214 WeakPolarHBondContact O-CB 3.18Å; E210-A214 PolarHBondContact O-N 3.05Å; E210-K265 IonicContact OE1-NZ 3.24Å; E210-K265 PolarHBondContact OE1-NZ 2.9Å
211A80.5Confident74.4Confident1 Ų180.2 Ų80.21%0.00841%0.411CS..Hα-helixtrans-63.6-47.3172.700000111.3A207 V208 R213 A214 G215 I258 K261 I262A207-A211 WeakPolarHBondContact O-CB 3.29Å; A207-A211 PolarHBondContact O-N 3.36Å; V208-A211 PolarHBondContact O-N 2.73Å; A211-R213 VanDerWaalsContact C-N 3.35Å; A211-R213 PolarHBondContact O-N 3.4Å; A211-A214 WeakPolarHBondContact O-CB 3.36Å; A211-A214 PolarHBondContact O-N 3.35Å; A211-A214 VanDerWaalsContact O-N 3.17Å; A211-G215 PolarHBondContact O-N 3.32Å; A211-I258 HydrophobicContact CB-CG2 4.37Å; A211-I258 WeakPolarHBondContact O-CG1 3.3Å; A211-K261 HydrophobicContact CB-CB 4Å; A211-I262 HydrophobicContact CB-CD1 4.3Å; A211-I262 HydrophobicContact CB-CG1 3.86Å
212L80.5Confident73.8Confident25 Ų2583.5 Ų83.513%0.13142%0.422CS..Hα-helixtrans-63.6-38.6176.5-68.4177.1000112.2V208 A214 G215 L216 I227 Y235V208-L212 HydrophobicContact CG1-CD1 3.83Å; V208-L212 HydrophobicContact CG1-CG 4.21Å; V208-L212 WeakPolarHBondContact O-CB 3.49Å; V208-L212 WeakPolarHBondContact O-CG 3.21Å; V208-L212 PolarHBondContact O-N 3.37Å; L212-A214 VanDerWaalsContact C-N 3.33Å; L212-A214 PolarHBondContact O-N 2.82Å; L212-G215 PolarHBondContact O-N 3.43Å; L212-L216 WeakPolarHBondContact O-CG 3.3Å; L212-L216 PolarHBondContact O-N 3.43Å; L212-I227 HydrophobicContact CD2-CD1 3.85Å; L212-I227 HydrophobicContact CD2-CG2 3.95Å; L212-Y235 HydrophobicContact CD1-CD1 4.05Å; L212-Y235 HydrophobicContact CD1-CE1 3.76Å
213R83.1Confident73.8Confident194 Ų19472.6 Ų72.673%0.73238%0.381SS*.Hα-helixtrans-65.6-35.3174.4-173.1179.8-77.7170.7-4.5112K209 E210 A211 L216 A217K209-R213 VanDerWaalsContact O-CB 3.25Å; K209-R213 WeakPolarHBondContact O-CB 3.38Å; K209-R213 PolarHBondContact O-N 2.74Å; E210-R213 PolarHBondContact O-N 2.94Å; A211-R213 VanDerWaalsContact C-N 3.35Å; A211-R213 PolarHBondContact O-N 3.4Å; R213-L216 PolarHBondContact O-N 3.4Å; R213-A217 WeakPolarHBondContact O-CB 3.5Å; R213-A217 PolarHBondContact O-N 2.82Å
214A78.3Confident73.9Confident16 Ų1668.7 Ų68.713%0.13237%0.369CS..Hα-helixtrans-67-42.2173.800000111.9E210 A211 L212 L216 A217 C218 K261E210-A214 WeakPolarHBondContact O-CB 3.18Å; E210-A214 PolarHBondContact O-N 3.05Å; A211-A214 WeakPolarHBondContact O-CB 3.36Å; A211-A214 PolarHBondContact O-N 3.35Å; A211-A214 VanDerWaalsContact O-N 3.17Å; L212-A214 VanDerWaalsContact C-N 3.33Å; L212-A214 PolarHBondContact O-N 2.82Å; A214-L216 VanDerWaalsContact C-N 3.29Å; A214-L216 PolarHBondContact O-N 3.37Å; A214-A217 PolarHBondContact O-N 2.85Å; A214-A217 VanDerWaalsContact O-N 3.15Å; A214-C218 PolarHBondContact O-N 3.48Å; A214-K261 HydrophobicContact CB-CD 3.59Å; A214-K261 VanDerWaalsContact CB-CE 3.44Å; A214-K261 VanDerWaalsContact CB-NZ 3.34Å
215G76.4Confident74.4Confident1 Ų168.7 Ų68.71%0.0137%0.367CS..Hα-helixtrans-60.6-38.4172.500000112.6A211 L212 C218A211-G215 PolarHBondContact O-N 3.32Å; L212-G215 PolarHBondContact O-N 3.43Å; G215-C218 PolarHBondContact O-N 3.44Å
216L77.4Confident74.6Confident75 Ų7569.3 Ų69.339%0.39337%0.365SS..Hα-helixtrans-67.3-36.4173.1-75159.9000112.5L212 R213 A214 C218 S219 I225 I227L212-L216 WeakPolarHBondContact O-CG 3.3Å; L212-L216 PolarHBondContact O-N 3.43Å; R213-L216 PolarHBondContact O-N 3.4Å; A214-L216 VanDerWaalsContact C-N 3.29Å; A214-L216 PolarHBondContact O-N 3.37Å; L216-C218 VanDerWaalsContact C-N 3.27Å; L216-C218 PolarHBondContact O-N 2.85Å; L216-S219 WeakPolarHBondContact O-CB 3.24Å; L216-S219 PolarHBondContact O-N 3.43Å; L216-S219 PolarHBondContact O-OG 3.21Å; L216-I225 WeakPolarHBondContact CD2-O 2.96Å; L216-I227 HydrophobicContact CG-CD1 4.3Å
217A74.9Confident74.7Confident82 Ų8266.6 Ų66.668%0.67835%0.35SS*.Hα-helixtrans-69.6-22.3179.300000113.5R213 A214 S219R213-A217 WeakPolarHBondContact O-CB 3.5Å; R213-A217 PolarHBondContact O-N 2.82Å; A214-A217 PolarHBondContact O-N 2.85Å; A214-A217 VanDerWaalsContact O-N 3.15Å; A217-S219 PolarHBondContact O-N 3.32Å
218C68.1Low74.9Confident52 Ų5271.1 Ų71.135%0.35137%0.373SS..THydrogen-bonded Turntrans-75.8-2.5170-65.10000113.3A214 G215 L216A214-C218 PolarHBondContact O-N 3.48Å; G215-C218 PolarHBondContact O-N 3.44Å; L216-C218 VanDerWaalsContact C-N 3.27Å; L216-C218 PolarHBondContact O-N 2.85Å
219S63.6Low75Confident33 Ų3374.8 Ų74.823%0.23139%0.392CS..  trans-75.1135.1175.3-44.70000110.8L216 A217 I225L216-S219 WeakPolarHBondContact O-CB 3.24Å; L216-S219 PolarHBondContact O-N 3.43Å; L216-S219 PolarHBondContact O-OG 3.21Å; A217-S219 PolarHBondContact O-N 3.32Å; S219-I225 WeakPolarHBondContact OG-CB 3.49Å; S219-I225 WeakPolarHBondContact OG-CD1 3.5Å; S219-I225 VanDerWaalsContact OG-CG1 3.32Å; S219-I225 WeakPolarHBondContact OG-CG1 3.26Å
220T69.5Low74.8Confident85 Ų8570 Ų7052%0.52137%0.372SS..BIsolated β-bridgetrans-91.6154.9172.5-24.30000110.2V222 M223T220-V222 PolarHBondContact O-N 2.97Å; T220-V222 VanDerWaalsContact O-N 3.08Å; T220-M223 CarbonylContact O-C 3.51Å; T220-M223 VanDerWaalsContact O-C 3.24Å; T220-M223 PolarHBondContact O-N 3.1Å
221E56.8Low74.4Confident205 Ų20566.8 Ų66.896%0.95836%0.361SS*.THydrogen-bonded Turntrans-57.6-25.4-179.8-72.3179.985.300113.9
222V59Low74.1Confident112 Ų11271.6 Ų71.668%0.67939%0.392SS*.THydrogen-bonded Turntrans-81.2-18.2176-175.80000112.4T220T220-V222 PolarHBondContact O-N 2.97Å; T220-V222 VanDerWaalsContact O-N 3.08Å
223M65.6Low73.9Confident23 Ų2373 Ų7311%0.11340%0.402CS..BIsolated β-bridgetrans-133.980.7-173-61.1-172.9-168.900111.3T220 I225 T241 E246 V250T220-M223 CarbonylContact O-C 3.51Å; T220-M223 VanDerWaalsContact O-C 3.24Å; T220-M223 PolarHBondContact O-N 3.1Å; M223-I225 PolarHBondContact O-N 3.02Å; M223-T241 HydrophobicContact CB-CG2 4.43Å; M223-T241 HydrophobicContact CG-CG2 4.05Å; M223-T241 HydrophobicContact SD-CG2 3.76Å; M223-E246 HydrophobicContact CE-CB 4.27Å; M223-V250 HydrophobicContact SD-CG2 4.39Å
224P74.4Confident74Confident72 Ų7269.4 Ų69.447%0.46839%0.389SS..  trans-71.1115.6178.828.4-33000110.7
225I80.6Confident74.2Confident9 Ų970.6 Ų70.65%0.04639%0.39CS..EExtended strand (participates in β ladder)trans-86.1127.3169.1-50.9176000108.2L216 S219 M223 I227 M237 V250 A254L216-I225 WeakPolarHBondContact CD2-O 2.96Å; S219-I225 WeakPolarHBondContact OG-CB 3.49Å; S219-I225 WeakPolarHBondContact OG-CD1 3.5Å; S219-I225 VanDerWaalsContact OG-CG1 3.32Å; S219-I225 WeakPolarHBondContact OG-CG1 3.26Å; M223-I225 PolarHBondContact O-N 3.02Å; I225-I227 HydrophobicContact CG2-CG1 4.27Å; I225-M237 HydrophobicContact CG2-CB 4.49Å; I225-V250 HydrophobicContact CD1-CG1 4.14Å; I225-A254 HydrophobicContact CD1-CB 4.32Å
226K79.1Confident74.6Confident142 Ų14270.8 Ų70.862%0.61739%0.391SS*.EExtended strand (participates in β ladder)trans-112.2130.6171.5-66.7-177.9-179179.50108.8M237 T238K226-M237 CarbonylContact O-C 3.47Å; K226-M237 WeakPolarHBondContact O-CA 3.36Å; K226-T238 PolarHBondContact N-O 3.27Å; K226-T238 PolarHBondContact O-N 3.38Å
227I81.2Confident74.7Confident34 Ų3467.3 Ų67.317%0.17437%0.373CS..EExtended strand (participates in β ladder)trans-114.9117.1175.1-49.8175.4000107.9L212 L216 I225 Y235 V236 M237L212-I227 HydrophobicContact CD2-CD1 3.85Å; L212-I227 HydrophobicContact CD2-CG2 3.95Å; L216-I227 HydrophobicContact CG-CD1 4.3Å; I225-I227 HydrophobicContact CG2-CG1 4.27Å; I227-Y235 HydrophobicContact CG2-CD1 4.45Å; I227-V236 CarbonylContact C-O 3.59Å; I227-V236 WeakPolarHBondContact CA-O 3.25Å; I227-M237 HydrophobicContact CG1-CB 4.07Å
228N81.3Confident75Confident100 Ų10065.1 Ų65.154%0.53535%0.351SS..EExtended strand (participates in β ladder)trans-109142.7175.2-71.3-21.9000109.6Y235 V236N228-Y235 WeakPolarHBondContact O-CA 3.31Å; N228-V236 HydrophobicContact CB-CG1 3.8Å; N228-V236 PolarHBondContact N-O 3.49Å; N228-V236 WeakPolarHBondContact O-CG1 3.41Å; N228-V236 PolarHBondContact O-N 2.51Å
229L80.9Confident75.6Confident90 Ų9062.7 Ų62.747%0.47134%0.335SS..EExtended strand (participates in β ladder)trans-82.3128167.5-179.793.8000107.7Y235L229-Y235 HydrophobicContact CB-CD1 4.17Å; L229-Y235 HydrophobicContact CB-CE1 4.15Å; L229-Y235 HydrophobicContact CD1-CD1 3.75Å; L229-Y235 HydrophobicContact CD1-CD2 4.47Å; L229-Y235 HydrophobicContact CD1-CE1 3.22Å; L229-Y235 HydrophobicContact CD1-CE2 4.01Å; L229-Y235 HydrophobicContact CD1-CG 4.34Å; L229-Y235 HydrophobicContact CG-CE1 4.3Å
230I78.4Confident76.4Confident33 Ų3363.6 Ų63.617%0.16934%0.339CS..EExtended strand (participates in β ladder)trans-91.2-55.5169.7-57.4179.1000108.7R234 V236 L286 L290 L293I230-R234 PolarHBondContact N-O 2.73Å; I230-V236 HydrophobicContact CD1-CB 3.9Å; I230-V236 HydrophobicContact CD1-CG1 3.89Å; I230-V236 HydrophobicContact CG1-CB 4.21Å; I230-V236 HydrophobicContact CG1-CG1 3.76Å; I230-L286 HydrophobicContact CD1-CD1 4.22Å; I230-L290 HydrophobicContact CG1-CD2 4.36Å; I230-L290 HydrophobicContact CG2-CD2 4.17Å; I230-L293 HydrophobicContact CG2-CD1 3.54Å
231A72.8Confident76.7Confident19 Ų1959.7 Ų59.716%0.15732%0.315CS..EExtended strand (participates in β ladder)trans-155140.6177.300000108P233 R234A231-P233 CarbonylContact O-C 3.5Å; A231-R234 PolarHBondContact N-O 3.25Å; A231-R234 CarbonylContact O-C 3.49Å; A231-R234 VanDerWaalsContact O-CA 3.25Å; A231-R234 WeakPolarHBondContact O-CA 3.46Å; A231-R234 WeakPolarHBondContact O-CB 2.87Å; A231-R234 PolarHBondContact O-N 2.98Å
232P73.4Confident77.3Confident102 Ų10254.6 Ų54.666%0.66229%0.294SS*.THydrogen-bonded Turntrans-58.4133.1171.5-15.628.4000109.8
233P77.6Confident77.9Confident53 Ų5353.5 Ų53.534%0.34428%0.281SS..THydrogen-bonded Turncis-94.117.1-0.434.4-31.7000115.9E196 V197 A198 A231 Y235E196-P233 CarbonylContact C-O 3.58Å; E196-P233 VanDerWaalsContact CA-O 3.32Å; E196-P233 WeakPolarHBondContact CA-O 3.44Å; E196-P233 HydrophobicContact CG-CB 3.98Å; E196-P233 HydrophobicContact CG-CG 3.7Å; V197-P233 PolarHBondContact N-O 2.94Å; V197-P233 WeakPolarHBondContact O-CB 3.4Å; A198-P233 HydrophobicContact CB-CB 4.23Å; A231-P233 CarbonylContact O-C 3.5Å; P233-Y235 WeakPolarHBondContact O-CD2 3.16Å
234R84.8Confident78.2Confident120 Ų12060.2 Ų60.245%0.45331%0.305SS..EExtended strand (participates in β ladder)trans-90.9126.1-176.8-59.8-178.1175.8-1780.6114.3E196 I230 A231E196-R234 IonicContact OE2-NE 3.9Å; I230-R234 PolarHBondContact N-O 2.73Å; A231-R234 PolarHBondContact N-O 3.25Å; A231-R234 CarbonylContact O-C 3.49Å; A231-R234 VanDerWaalsContact O-CA 3.25Å; A231-R234 WeakPolarHBondContact O-CA 3.46Å; A231-R234 WeakPolarHBondContact O-CB 2.87Å; A231-R234 PolarHBondContact O-N 2.98Å
235Y83.1Confident78.3Confident40 Ų4061.3 Ų61.316%0.15731%0.311CS..EExtended strand (participates in β ladder)trans-120.9145.6175.5-60.5-98.8000110.1I195 V197 V208 L212 I227 N228 L229 P233I195-Y235 PolarHBondContact N-O 3.47Å; I195-Y235 PolarHBondContact O-N 3.41Å; V197-Y235 HydrophobicContact CB-CD2 3.94Å; V197-Y235 HydrophobicContact CB-CE2 3.82Å; V197-Y235 HydrophobicContact CG2-CD2 4.14Å; V197-Y235 HydrophobicContact CG2-CE2 4.46Å; V208-Y235 HydrophobicContact CG1-CE2 4.46Å; L212-Y235 HydrophobicContact CD1-CD1 4.05Å; L212-Y235 HydrophobicContact CD1-CE1 3.76Å; I227-Y235 HydrophobicContact CG2-CD1 4.45Å; N228-Y235 WeakPolarHBondContact O-CA 3.31Å; L229-Y235 HydrophobicContact CB-CD1 4.17Å; L229-Y235 HydrophobicContact CB-CE1 4.15Å; L229-Y235 HydrophobicContact CD1-CD1 3.75Å; L229-Y235 HydrophobicContact CD1-CD2 4.47Å; L229-Y235 HydrophobicContact CD1-CE1 3.22Å; L229-Y235 HydrophobicContact CD1-CE2 4.01Å; L229-Y235 HydrophobicContact CD1-CG 4.34Å; L229-Y235 HydrophobicContact CG-CE1 4.3Å; P233-Y235 WeakPolarHBondContact O-CD2 3.16Å
236V83.8Confident78.1Confident5 Ų565.9 Ų65.93%0.0333%0.332CS..EExtended strand (participates in β ladder)trans-112.9125.6173610000109.2R192 D194 I227 N228 I230R192-V236 HydrophobicContact CG-CG2 3.67Å; D194-V236 WeakPolarHBondContact OD1-CG2 3.12Å; I227-V236 CarbonylContact C-O 3.59Å; I227-V236 WeakPolarHBondContact CA-O 3.25Å; N228-V236 HydrophobicContact CB-CG1 3.8Å; N228-V236 PolarHBondContact N-O 3.49Å; N228-V236 WeakPolarHBondContact O-CG1 3.41Å; N228-V236 PolarHBondContact O-N 2.51Å; I230-V236 HydrophobicContact CD1-CB 3.9Å; I230-V236 HydrophobicContact CD1-CG1 3.89Å; I230-V236 HydrophobicContact CG1-CB 4.21Å; I230-V236 HydrophobicContact CG1-CG1 3.76Å
237M80.6Confident77.9Confident2 Ų259.1 Ų59.11%0.0130%0.302CS..EExtended strand (participates in β ladder)trans-103.1126.3170.261.1177.9-16600109.5R192 A193 I195 I225 K226 I227 L251 M255R192-M237 CarbonylContact C-O 3.6Å; R192-M237 VanDerWaalsContact CA-O 3.29Å; R192-M237 WeakPolarHBondContact CA-O 3.16Å; A193-M237 HydrophobicContact CB-CE 3.15Å; A193-M237 HydrophobicContact CB-CG 3.71Å; A193-M237 HydrophobicContact CB-SD 4.24Å; A193-M237 PolarHBondContact N-O 3.23Å; A193-M237 WeakPolarHBondContact O-CG 3.42Å; A193-M237 PolarHBondContact O-N 2.87Å; I195-M237 HydrophobicContact CG2-CE 4.43Å; I195-M237 HydrophobicContact CG2-SD 4.45Å; I225-M237 HydrophobicContact CG2-CB 4.49Å; K226-M237 CarbonylContact O-C 3.47Å; K226-M237 WeakPolarHBondContact O-CA 3.36Å; I227-M237 HydrophobicContact CG1-CB 4.07Å; M237-L251 HydrophobicContact CB-CD2 4.44Å; M237-L251 HydrophobicContact CE-CB 4.04Å; M237-L251 HydrophobicContact CE-CD2 3.45Å; M237-L251 VanDerWaalsContact CE-CD2 3.45Å; M237-L251 HydrophobicContact CE-CG 4.28Å; M237-L251 HydrophobicContact CG-CD2 3.86Å; M237-L251 HydrophobicContact SD-CD2 3.52Å; M237-L251 VanDerWaalsContact SD-CD2 3.52Å; M237-M255 HydrophobicContact CE-CE 4.09Å; M237-M255 HydrophobicContact CE-CG 3.24Å; M237-M255 HydrophobicContact CE-SD 3.39Å; M237-M255 WeakPolarHBondContact CE-SD 3.13Å; M237-M255 HydrophobicContact SD-CG 4.05Å
238T81.3Confident77.8Confident37 Ų3760.6 Ų60.623%0.22731%0.31CS..EExtended strand (participates in β ladder)trans-121.3126.8177.9-53.60000108.6I191 K226I191-T238 CarbonylContact O-C 3.45Å; I191-T238 WeakPolarHBondContact O-CA 3.38Å; K226-T238 PolarHBondContact N-O 3.27Å; K226-T238 PolarHBondContact O-N 3.38Å
239T80.3Confident77.8Confident1 Ų159.5 Ų59.51%0.00631%0.31CS..EExtended strand (participates in β ladder)trans-121.4153.4170.3-173.60000109.5K190 I191 T241 L251K190-T239 CarbonylContact C-O 3.46Å; K190-T239 VanDerWaalsContact CA-O 3.28Å; K190-T239 WeakPolarHBondContact CA-O 3.31Å; I191-T239 HydrophobicContact CB-CG2 3.72Å; I191-T239 HydrophobicContact CD1-CG2 4.4Å; I191-T239 HydrophobicContact CG1-CG2 4.37Å; I191-T239 PolarHBondContact N-O 3.08Å; I191-T239 PolarHBondContact O-N 2.98Å; T239-T241 HydrophobicContact CG2-CG2 3.92Å; T239-L251 HydrophobicContact CG2-CD1 3.31Å; T239-L251 HydrophobicContact CG2-CD2 4.1Å; T239-L251 HydrophobicContact CG2-CG 3.7Å
240T81Confident77.9Confident51 Ų5156.5 Ų56.531%0.31330%0.296SS..EExtended strand (participates in β ladder)trans-116.4118.4174.9-57.50000107.9A188A188-T240 HydrophobicContact CB-CG2 3.48Å; A188-T240 VanDerWaalsContact CB-CG2 3.48Å
241T74.7Confident78.1Confident3 Ų355 Ų552%0.01829%0.288CS..EExtended strand (participates in β ladder)trans-133.8147.6-176.778.60000111.3A188 V189 I191 M223 T239 E243A188-T241 CarbonylContact C-O 3.59Å; V189-T241 PolarHBondContact N-O 3.18Å; V189-T241 PolarHBondContact O-N 2.99Å; I191-T241 HydrophobicContact CD1-CG2 4.36Å; M223-T241 HydrophobicContact CB-CG2 4.43Å; M223-T241 HydrophobicContact CG-CG2 4.05Å; M223-T241 HydrophobicContact SD-CG2 3.76Å; T239-T241 HydrophobicContact CG2-CG2 3.92Å; T241-E243 VanDerWaalsContact C-N 3.34Å; T241-E243 PolarHBondContact OG1-O 3.2Å
242L70.6Confident78.6Confident99 Ų9958.7 Ų58.752%0.51831%0.305SS..SBendtrans-76.6-28.5174-65.3168.9000111.2P186 A188P186-L242 HydrophobicContact CG-CB 4.5Å; P186-L242 WeakPolarHBondContact O-CD2 3.44Å; A188-L242 HydrophobicContact CB-CD2 4.17Å
243E71.4Confident79.1Confident88 Ų8860 Ų6041%0.41130%0.303SS..  trans-117.6130-177.9-166.2163.9114.600112.3T241 T245 E246 G247T241-E243 VanDerWaalsContact C-N 3.34Å; T241-E243 PolarHBondContact OG1-O 3.2Å; E243-T245 WeakPolarHBondContact CG-OG1 3.1Å; E243-T245 PolarHBondContact OE1-OG1 3.35Å; E243-T245 VanDerWaalsContact OE1-OG1 3.09Å; E243-E246 HydrophobicContact CB-CB 4.49Å; E243-G247 PolarHBondContact O-N 3.02Å
244R70.8Confident79.4Confident164 Ų16457.6 Ų57.662%0.61929%0.287SS*.Hα-helixtrans-67.3-42.4-175.1-63.1179.1-178.4169.2-0.9112L248 V277R244-L248 WeakPolarHBondContact O-CD1 3.41Å; R244-L248 WeakPolarHBondContact O-CG 3.08Å; R244-L248 PolarHBondContact O-N 2.99Å; R244-L248 VanDerWaalsContact O-N 3.17Å; R244-V277 HydrophobicContact CG-CG2 4.42Å
245T77.6Confident79.2Confident95 Ų9552.3 Ų52.358%0.58327%0.268SS*.Hα-helixtrans-71.7-49.3-174.430.30000112.2E243 G247 L248 S249E243-T245 WeakPolarHBondContact CG-OG1 3.1Å; E243-T245 PolarHBondContact OE1-OG1 3.35Å; E243-T245 VanDerWaalsContact OE1-OG1 3.09Å; T245-G247 VanDerWaalsContact C-N 3.35Å; T245-G247 PolarHBondContact O-N 3.2Å; T245-L248 PolarHBondContact O-N 3.33Å; T245-S249 PolarHBondContact O-N 2.91Å; T245-S249 VanDerWaalsContact O-N 3.15Å
246E75.9Confident79.3Confident105 Ų10553 Ų5349%0.49128%0.282SS..Hα-helixtrans-63.4-41.8176.4-68.9-171.496.300111.6M223 E243 L248 S249 V250M223-E246 HydrophobicContact CE-CB 4.27Å; E243-E246 HydrophobicContact CB-CB 4.49Å; E246-L248 PolarHBondContact O-N 2.93Å; E246-S249 WeakPolarHBondContact O-CB 3.27Å; E246-S249 PolarHBondContact O-N 3.48Å; E246-S249 VanDerWaalsContact O-N 3.14Å; E246-V250 WeakPolarHBondContact O-CG2 3.27Å; E246-V250 PolarHBondContact O-N 3.26Å
247G74.8Confident79.3Confident0 Ų054.1 Ų54.10%029%0.292CS..Hα-helixtrans-63.1-38.7179.100000114.1E243 T245 L251E243-G247 PolarHBondContact O-N 3.02Å; T245-G247 VanDerWaalsContact C-N 3.35Å; T245-G247 PolarHBondContact O-N 3.2Å; G247-L251 PolarHBondContact O-N 2.71Å; G247-L251 VanDerWaalsContact O-N 3.14Å
248L79.5Confident79.4Confident66 Ų6654 Ų5435%0.34629%0.291SS..Hα-helixtrans-64.5-40.9173.2-72.8168.9000111.6I191 R244 T245 E246 N252 P275I191-L248 HydrophobicContact CD1-CG 4.44Å; I191-L248 HydrophobicContact CG2-CD2 4.1Å; R244-L248 WeakPolarHBondContact O-CD1 3.41Å; R244-L248 WeakPolarHBondContact O-CG 3.08Å; R244-L248 PolarHBondContact O-N 2.99Å; R244-L248 VanDerWaalsContact O-N 3.17Å; T245-L248 PolarHBondContact O-N 3.33Å; E246-L248 PolarHBondContact O-N 2.93Å; L248-N252 WeakPolarHBondContact O-CB 3.39Å; L248-N252 PolarHBondContact O-N 3.4Å; L248-P275 HydrophobicContact CD2-CB 3.81Å; L248-P275 HydrophobicContact CD2-CG 3.96Å; L248-P275 WeakPolarHBondContact CD2-O 3.47Å
249S81.7Confident79.5Confident76 Ų7656.9 Ų56.953%0.53130%0.3SS..Hα-helixtrans-65.8-45.4179.4-168.70000111.9T245 E246 N252 Q253T245-S249 PolarHBondContact O-N 2.91Å; T245-S249 VanDerWaalsContact O-N 3.15Å; E246-S249 WeakPolarHBondContact O-CB 3.27Å; E246-S249 PolarHBondContact O-N 3.48Å; E246-S249 VanDerWaalsContact O-N 3.14Å; S249-N252 PolarHBondContact O-N 3.03Å; S249-Q253 WeakPolarHBondContact O-CB 3.23Å; S249-Q253 PolarHBondContact O-N 2.67Å
250V82.1Confident79.7Confident28 Ų2863.9 Ų63.917%0.1733%0.333CS..Hα-helixtrans-63.3-43.7179.1172.70000111.1M223 I225 E246 N252 Q253 A254M223-V250 HydrophobicContact SD-CG2 4.39Å; I225-V250 HydrophobicContact CD1-CG1 4.14Å; E246-V250 WeakPolarHBondContact O-CG2 3.27Å; E246-V250 PolarHBondContact O-N 3.26Å; V250-N252 VanDerWaalsContact C-N 3.33Å; V250-N252 PolarHBondContact O-N 2.99Å; V250-Q253 PolarHBondContact O-N 2.86Å; V250-A254 WeakPolarHBondContact O-CB 2.95Å; V250-A254 PolarHBondContact O-N 3.46Å
251L82.1Confident79.7Confident0 Ų065 Ų650%033%0.334CS..Hα-helixtrans-62.4-39.9174.6-83.7162.6000112.2I191 M237 T239 G247 A254 M255 P275I191-L251 HydrophobicContact CB-CD1 3.64Å; I191-L251 HydrophobicContact CG2-CD1 3.25Å; M237-L251 HydrophobicContact CB-CD2 4.44Å; M237-L251 HydrophobicContact CE-CB 4.04Å; M237-L251 HydrophobicContact CE-CD2 3.45Å; M237-L251 VanDerWaalsContact CE-CD2 3.45Å; M237-L251 HydrophobicContact CE-CG 4.28Å; M237-L251 HydrophobicContact CG-CD2 3.86Å; M237-L251 HydrophobicContact SD-CD2 3.52Å; M237-L251 VanDerWaalsContact SD-CD2 3.52Å; T239-L251 HydrophobicContact CG2-CD1 3.31Å; T239-L251 HydrophobicContact CG2-CD2 4.1Å; T239-L251 HydrophobicContact CG2-CG 3.7Å; G247-L251 PolarHBondContact O-N 2.71Å; G247-L251 VanDerWaalsContact O-N 3.14Å; L251-A254 PolarHBondContact O-N 3.45Å; L251-M255 WeakPolarHBondContact O-CG 3.16Å; L251-M255 PolarHBondContact O-N 3.34Å; L251-P275 HydrophobicContact CB-CB 4.2Å; L251-P275 HydrophobicContact CD1-CB 3.91Å
252N84.4Confident80Confident98 Ų9864.9 Ų64.952%0.52433%0.333SS..Hα-helixtrans-67-40.3178.2-160.3-0.9000111.8L248 S249 V250 A254 M255 A256L248-N252 WeakPolarHBondContact O-CB 3.39Å; L248-N252 PolarHBondContact O-N 3.4Å; S249-N252 PolarHBondContact O-N 3.03Å; V250-N252 VanDerWaalsContact C-N 3.33Å; V250-N252 PolarHBondContact O-N 2.99Å; N252-A254 VanDerWaalsContact C-N 3.34Å; N252-A254 PolarHBondContact O-N 2.84Å; N252-M255 HydrophobicContact CB-CE 4.2Å; N252-M255 PolarHBondContact O-N 2.66Å; N252-A256 WeakPolarHBondContact O-CB 3.24Å; N252-A256 PolarHBondContact O-N 3.21Å
253Q83.8Confident80.5Confident130 Ų13065.9 Ų65.961%0.60734%0.335SS*.Hα-helixtrans-63.6-40173.4-168.3172.62.600111.8S249 V250 A256 A257S249-Q253 WeakPolarHBondContact O-CB 3.23Å; S249-Q253 PolarHBondContact O-N 2.67Å; V250-Q253 PolarHBondContact O-N 2.86Å; Q253-A256 PolarHBondContact O-N 2.8Å; Q253-A257 PolarHBondContact O-N 2.96Å
254A82.5Confident80.9Confident2 Ų269.2 Ų69.22%0.01735%0.35CS..Hα-helixtrans-64.4-41.7173.900000112I225 V250 L251 N252 A257 I258I225-A254 HydrophobicContact CD1-CB 4.32Å; V250-A254 WeakPolarHBondContact O-CB 2.95Å; V250-A254 PolarHBondContact O-N 3.46Å; L251-A254 PolarHBondContact O-N 3.45Å; N252-A254 VanDerWaalsContact C-N 3.34Å; N252-A254 PolarHBondContact O-N 2.84Å; A254-A257 PolarHBondContact O-N 3.39Å; A254-I258 WeakPolarHBondContact O-CB 3.4Å; A254-I258 WeakPolarHBondContact O-CD1 3.39Å; A254-I258 WeakPolarHBondContact O-CG1 3.33Å; A254-I258 PolarHBondContact O-N 3.25Å
255M81.9Confident81.1Confident8 Ų865.1 Ų65.14%0.03934%0.337CS..Hα-helixtrans-62.4-42.5174.4-73.2-173.4-65.700112.1I195 M237 L251 N252 I258 K259 F269 I271 P275I195-M255 HydrophobicContact CG2-CG 4.34Å; I195-M255 HydrophobicContact CG2-SD 4.23Å; M237-M255 HydrophobicContact CE-CE 4.09Å; M237-M255 HydrophobicContact CE-CG 3.24Å; M237-M255 HydrophobicContact CE-SD 3.39Å; M237-M255 WeakPolarHBondContact CE-SD 3.13Å; M237-M255 HydrophobicContact SD-CG 4.05Å; L251-M255 WeakPolarHBondContact O-CG 3.16Å; L251-M255 PolarHBondContact O-N 3.34Å; N252-M255 HydrophobicContact CB-CE 4.2Å; N252-M255 PolarHBondContact O-N 2.66Å; M255-I258 PolarHBondContact O-N 2.91Å; M255-K259 VanDerWaalsContact O-CB 3.25Å; M255-K259 WeakPolarHBondContact O-CB 3.22Å; M255-K259 PolarHBondContact O-N 3.12Å; M255-F269 HydrophobicContact CB-CZ 4.3Å; M255-F269 HydrophobicContact CG-CZ 4.36Å; M255-I271 HydrophobicContact SD-CD1 3.98Å; M255-I271 HydrophobicContact SD-CG1 4.37Å; M255-P275 HydrophobicContact CE-CG 3.92Å
256A84.7Confident80.9Confident56 Ų5671.6 Ų71.646%0.46335%0.351SS..Hα-helixtrans-62.1-43.9177.400000111.5N252 Q253 K259 E260N252-A256 WeakPolarHBondContact O-CB 3.24Å; N252-A256 PolarHBondContact O-N 3.21Å; Q253-A256 PolarHBondContact O-N 2.8Å; A256-K259 PolarHBondContact O-N 3.37Å; A256-E260 PolarHBondContact O-N 3.42Å
257A83.9Confident80.8Confident28 Ų2867.2 Ų67.223%0.23133%0.334CS..Hα-helixtrans-64.6-39.3176.200000112.7Q253 A254 K261Q253-A257 PolarHBondContact O-N 2.96Å; A254-A257 PolarHBondContact O-N 3.39Å; A257-K261 PolarHBondContact O-N 3.37Å
258I82.4Confident81Confident0 Ų071 Ų710%036%0.357CS..Hα-helixtrans-64.9-44.7174.7-70.9164.2000110.2I195 A211 A254 M255 K261 I262 F269I195-I258 HydrophobicContact CD1-CD1 4.29Å; A211-I258 HydrophobicContact CB-CG2 4.37Å; A211-I258 WeakPolarHBondContact O-CG1 3.3Å; A254-I258 WeakPolarHBondContact O-CB 3.4Å; A254-I258 WeakPolarHBondContact O-CD1 3.39Å; A254-I258 WeakPolarHBondContact O-CG1 3.33Å; A254-I258 PolarHBondContact O-N 3.25Å; M255-I258 PolarHBondContact O-N 2.91Å; I258-K261 PolarHBondContact O-N 3.15Å; I258-I262 HydrophobicContact CG2-CD1 3.43Å; I258-I262 VanDerWaalsContact CG2-CD1 3.43Å; I258-I262 HydrophobicContact CG2-CG1 4.4Å; I258-I262 WeakPolarHBondContact O-CB 3.33Å; I258-I262 WeakPolarHBondContact O-CD1 3.37Å; I258-I262 VanDerWaalsContact O-CG1 3.26Å; I258-I262 WeakPolarHBondContact O-CG1 3.34Å; I258-I262 PolarHBondContact O-N 3.11Å; I258-F269 HydrophobicContact CB-CE2 4.47Å; I258-F269 HydrophobicContact CG2-CD2 3.98Å; I258-F269 HydrophobicContact CG2-CE2 3.67Å
259K83.9Confident81Confident97 Ų9769.3 Ų69.342%0.42235%0.347SS..Hα-helixtrans-60.8-48.2179.5-176-176.2175.3-172.20111.7M255 A256 K261 I262 E263 F269M255-K259 VanDerWaalsContact O-CB 3.25Å; M255-K259 WeakPolarHBondContact O-CB 3.22Å; M255-K259 PolarHBondContact O-N 3.12Å; A256-K259 PolarHBondContact O-N 3.37Å; K259-K261 VanDerWaalsContact C-N 3.34Å; K259-K261 PolarHBondContact O-N 2.84Å; K259-I262 PolarHBondContact O-N 3.42Å; K259-E263 WeakPolarHBondContact CE-OE2 3.49Å; K259-E263 HydrophobicContact CG-CG 4.4Å; K259-E263 WeakPolarHBondContact CG-OE2 3.33Å; K259-E263 WeakPolarHBondContact O-CG 3.27Å; K259-E263 PolarHBondContact O-N 2.83Å; K259-F269 HydrophobicContact CB-CD1 3.99Å; K259-F269 HydrophobicContact CB-CE1 4.34Å; K259-F269 HydrophobicContact CB-CG 4.23Å; K259-F269 HydrophobicContact CD-CD1 4.31Å; K259-F269 HydrophobicContact CG-CB 4.32Å; K259-F269 HydrophobicContact CG-CD1 4Å; K259-F269 HydrophobicContact CG-CG 4.31Å
260E84.4Confident80.9Confident148 Ų14869.9 Ų69.969%0.69234%0.344SS*.Hα-helixtrans-58.2-45179.9-171.6175.588.700111.8A256 I262 E263 E264A256-E260 PolarHBondContact O-N 3.42Å; E260-I262 PolarHBondContact O-N 3.03Å; E260-E263 PolarHBondContact O-N 3.14Å; E260-E264 PolarHBondContact O-N 2.78Å; E260-E264 VanDerWaalsContact O-N 3.1Å
261K80.5Confident81Confident74 Ų7471.8 Ų71.832%0.32235%0.352SS..Hα-helixtrans-68.3-32.5177.8-74.3-169.3174.6-154.90114A211 A214 A257 I258 K259A211-K261 HydrophobicContact CB-CB 4Å; A214-K261 HydrophobicContact CB-CD 3.59Å; A214-K261 VanDerWaalsContact CB-CE 3.44Å; A214-K261 VanDerWaalsContact CB-NZ 3.34Å; A257-K261 PolarHBondContact O-N 3.37Å; I258-K261 PolarHBondContact O-N 3.15Å; K259-K261 VanDerWaalsContact C-N 3.34Å; K259-K261 PolarHBondContact O-N 2.84Å
262I81.3Confident80.8Confident1 Ų176.4 Ų76.41%0.00537%0.374CS..Hα-helixtrans-74.7-39.9177.6-71.5165.7000110.5V197 A211 I258 K259 E260 E264 K265 R266 G267 F269V197-I262 HydrophobicContact CB-CD1 4.15Å; V197-I262 HydrophobicContact CG1-CD1 3.38Å; V197-I262 HydrophobicContact CG1-CG1 4.12Å; V197-I262 HydrophobicContact CG2-CD1 3.77Å; A211-I262 HydrophobicContact CB-CD1 4.3Å; A211-I262 HydrophobicContact CB-CG1 3.86Å; I258-I262 HydrophobicContact CG2-CD1 3.43Å; I258-I262 VanDerWaalsContact CG2-CD1 3.43Å; I258-I262 HydrophobicContact CG2-CG1 4.4Å; I258-I262 WeakPolarHBondContact O-CB 3.33Å; I258-I262 WeakPolarHBondContact O-CD1 3.37Å; I258-I262 VanDerWaalsContact O-CG1 3.26Å; I258-I262 WeakPolarHBondContact O-CG1 3.34Å; I258-I262 PolarHBondContact O-N 3.11Å; K259-I262 PolarHBondContact O-N 3.42Å; E260-I262 PolarHBondContact O-N 3.03Å; I262-E264 VanDerWaalsContact C-N 3.35Å; I262-K265 CarbonylContact O-C 3.57Å; I262-K265 PolarHBondContact O-N 3.33Å; I262-R266 PolarHBondContact O-N 2.7Å; I262-G267 VanDerWaalsContact CG2-C 3.5Å; I262-G267 PolarHBondContact O-N 3.01Å; I262-F269 HydrophobicContact CD1-CB 4.41Å; I262-F269 HydrophobicContact CD1-CD2 3.73Å; I262-F269 HydrophobicContact CG2-CB 4.27Å
263E81.2Confident80.6Confident119 Ų11974.2 Ų74.256%0.55636%0.361SS*.Hα-helixtrans-64.6-38.2176.8-74.8-172.8105.700111.8K259 E260 K265 R266K259-E263 WeakPolarHBondContact CE-OE2 3.49Å; K259-E263 HydrophobicContact CG-CG 4.4Å; K259-E263 WeakPolarHBondContact CG-OE2 3.33Å; K259-E263 WeakPolarHBondContact O-CG 3.27Å; K259-E263 PolarHBondContact O-N 2.83Å; E260-E263 PolarHBondContact O-N 3.14Å; E263-K265 PolarHBondContact O-N 3.09Å; E263-R266 PolarHBondContact O-N 2.89Å; E263-R266 VanDerWaalsContact O-N 3.16Å
264E80.1Confident80.4Confident159 Ų15975.3 Ų75.374%0.74337%0.366SS*.Hα-helixtrans-57.1-36175.1-172.7175.378.100112.3E260 I262E260-E264 PolarHBondContact O-N 2.78Å; E260-E264 VanDerWaalsContact O-N 3.1Å; I262-E264 VanDerWaalsContact C-N 3.35Å
265K73.4Confident80.2Confident78 Ų7876.4 Ų76.434%0.33937%0.373SS..THydrogen-bonded Turntrans-97.718.8-177.4-64.7-176.1176.41750113.4A207 E210 I262 E263 G267A207-K265 HydrophobicContact CB-CB 4.06Å; A207-K265 HydrophobicContact CB-CD 3.27Å; A207-K265 HydrophobicContact CB-CG 4.26Å; E210-K265 IonicContact OE1-NZ 3.24Å; E210-K265 PolarHBondContact OE1-NZ 2.9Å; I262-K265 CarbonylContact O-C 3.57Å; I262-K265 PolarHBondContact O-N 3.33Å; E263-K265 PolarHBondContact O-N 3.09Å; K265-G267 VanDerWaalsContact C-N 3.28Å; K265-G267 PolarHBondContact O-N 3.38Å
266R74.1Confident80.1Confident231 Ų23181.5 Ų81.587%0.87240%0.395SS*.THydrogen-bonded Turntrans56.235.4-178.2-61.9-175.8176-176.3-0.6114.1I262 E263I262-R266 PolarHBondContact O-N 2.7Å; E263-R266 PolarHBondContact O-N 2.89Å; E263-R266 VanDerWaalsContact O-N 3.16Å
267G74.3Confident79.6Confident13 Ų1380.9 Ų80.913%0.13439%0.386CS..EExtended strand (participates in β ladder)trans-89.5165.3170.300000112.9A198 I262 K265A198-G267 CarbonylContact O-C 3.55Å; A198-G267 WeakPolarHBondContact O-CA 3.44Å; I262-G267 VanDerWaalsContact CG2-C 3.5Å; I262-G267 PolarHBondContact O-N 3.01Å; K265-G267 VanDerWaalsContact C-N 3.28Å; K265-G267 PolarHBondContact O-N 3.38Å
268V79Confident79.1Confident80 Ų8080.6 Ų80.649%0.48538%0.381SS..EExtended strand (participates in β ladder)trans-104.2127.3172.6-177.60000108.2A198 Y200A198-V268 PolarHBondContact N-O 2.83Å; A198-V268 PolarHBondContact O-N 3.42Å; Y200-V268 HydrophobicContact CE2-CG2 4.2Å
269F78.3Confident78.5Confident30 Ų3084 Ų8413%0.13240%0.402CS..EExtended strand (participates in β ladder)trans-115.6121.8172.9-179.2-94.9000109I195 E196 V197 M255 I258 K259 I262 I271I195-F269 HydrophobicContact CB-CE2 3.9Å; I195-F269 HydrophobicContact CB-CZ 4.05Å; I195-F269 HydrophobicContact CD1-CE2 4.25Å; I195-F269 HydrophobicContact CG2-CE2 4.15Å; I195-F269 HydrophobicContact CG2-CZ 3.81Å; E196-F269 WeakPolarHBondContact O-CA 3.44Å; V197-F269 HydrophobicContact CG2-CD2 3.92Å; V197-F269 HydrophobicContact CG2-CE2 4.13Å; M255-F269 HydrophobicContact CB-CZ 4.3Å; M255-F269 HydrophobicContact CG-CZ 4.36Å; I258-F269 HydrophobicContact CB-CE2 4.47Å; I258-F269 HydrophobicContact CG2-CD2 3.98Å; I258-F269 HydrophobicContact CG2-CE2 3.67Å; K259-F269 HydrophobicContact CB-CD1 3.99Å; K259-F269 HydrophobicContact CB-CE1 4.34Å; K259-F269 HydrophobicContact CB-CG 4.23Å; K259-F269 HydrophobicContact CD-CD1 4.31Å; K259-F269 HydrophobicContact CG-CB 4.32Å; K259-F269 HydrophobicContact CG-CD1 4Å; K259-F269 HydrophobicContact CG-CG 4.31Å; I262-F269 HydrophobicContact CD1-CB 4.41Å; I262-F269 HydrophobicContact CD1-CD2 3.73Å; I262-F269 HydrophobicContact CG2-CB 4.27Å; F269-I271 HydrophobicContact CD1-CG1 4.33Å; F269-I271 HydrophobicContact CE1-CD1 4Å; F269-I271 HydrophobicContact CE1-CG1 3.5Å; F269-I271 HydrophobicContact CZ-CG1 4.11Å
270N81.3Confident77.6Confident87 Ų8785.6 Ų85.647%0.46542%0.415SS..EExtended strand (participates in β ladder)trans-129.7135.2178.4-158.630.9000110.7E196E196-N270 WeakPolarHBondContact CA-O 3.5Å; E196-N270 HydrophobicContact CB-CB 4.17Å; E196-N270 WeakPolarHBondContact CB-O 3.44Å; E196-N270 PolarHBondContact N-O 3.35Å; E196-N270 PolarHBondContact O-N 2.9Å
271I82.5Confident76.6Confident69 Ų6982.8 Ų82.835%0.35441%0.408SS..EExtended strand (participates in β ladder)trans-94.3110.8178.9-57.5172.4000107.1M255 F269 E274M255-I271 HydrophobicContact SD-CD1 3.98Å; M255-I271 HydrophobicContact SD-CG1 4.37Å; F269-I271 HydrophobicContact CD1-CG1 4.33Å; F269-I271 HydrophobicContact CE1-CD1 4Å; F269-I271 HydrophobicContact CE1-CG1 3.5Å; F269-I271 HydrophobicContact CZ-CG1 4.11Å; I271-E274 HydrophobicContact CG2-CG 4.27Å
272Q79.5Confident75.9Confident96 Ų9680.7 Ų80.745%0.44940%0.4SS..EExtended strand (participates in β ladder)trans-76.7-44.4175.2-74.6-95.72.400110D194 E196D194-Q272 HydrophobicContact CB-CB 4.12Å; D194-Q272 PolarHBondContact O-N 3.38Å; E196-Q272 HydrophobicContact CB-CG 4.32Å; E196-Q272 PolarHBondContact OE2-NE2 3.22Å
273M78.6Confident75.1Confident53 Ų5384.5 Ų84.526%0.26142%0.418SS..EExtended strand (participates in β ladder)trans-136.5119.4178.3-165.6173.173.200110.2R192 A193 D194R192-M273 HydrophobicContact CG-CE 4.07Å; A193-M273 WeakPolarHBondContact CB-O 3.34Å; D194-M273 HydrophobicContact CB-CB 3.88Å; D194-M273 PolarHBondContact N-O 3.48Å; D194-M273 VanDerWaalsContact N-O 3.08Å; D194-M273 PolarHBondContact O-N 3.48Å; D194-M273 VanDerWaalsContact O-N 3.14Å
274E79.8Confident74.4Confident153 Ų15382.2 Ų82.272%0.71541%0.412SS*.EExtended strand (participates in β ladder)trans-57.9154.1171.6-70.6-173.4107.500111.2I271 K276I271-E274 HydrophobicContact CG2-CG 4.27Å; E274-K276 PolarHBondContact O-N 2.87Å
275P78.4Confident73.8Confident25 Ų2580.4 Ų80.416%0.16240%0.404CS..EExtended strand (participates in β ladder)trans-58.8112.6-176.225.5-36000110.4I191 R192 A193 L248 L251 M255I191-P275 HydrophobicContact CG2-CB 3.97Å; R192-P275 CarbonylContact O-C 3.24Å; R192-P275 VanDerWaalsContact O-CA 3.28Å; R192-P275 WeakPolarHBondContact O-CA 3.48Å; A193-P275 HydrophobicContact CB-CB 4.14Å; L248-P275 HydrophobicContact CD2-CB 3.81Å; L248-P275 HydrophobicContact CD2-CG 3.96Å; L248-P275 WeakPolarHBondContact CD2-O 3.47Å; L251-P275 HydrophobicContact CB-CB 4.2Å; L251-P275 HydrophobicContact CD1-CB 3.91Å; M255-P275 HydrophobicContact CE-CG 3.92Å
276K80.3Confident73.3Confident115 Ų11578 Ų7850%0.539%0.394SS..EExtended strand (participates in β ladder)trans-120.2140.8-178.2-168.7-175.6172.6-1590109.5I191 R192 E274 V278 D282I191-K276 WeakPolarHBondContact CA-O 3.28Å; R192-K276 PolarHBondContact N-O 3.13Å; R192-K276 PolarHBondContact O-N 2.94Å; E274-K276 PolarHBondContact O-N 2.87Å; K276-V278 PolarHBondContact O-N 2.97Å; K276-D282 IonicContact NZ-OD1 3.18Å
277V75.4Confident73Confident43 Ų4369.8 Ų69.826%0.26138%0.376SS..EExtended strand (participates in β ladder)trans-63.8120.5169.9166.30000108.9V189 I191 R244V189-V277 HydrophobicContact CG1-CB 3.97Å; V189-V277 HydrophobicContact CG1-CG1 3.15Å; V189-V277 HydrophobicContact CG1-CG2 3.78Å; I191-V277 HydrophobicContact CG1-CG2 4.22Å; R244-V277 HydrophobicContact CG-CG2 4.42Å
278V73.3Confident72.9Confident22 Ų2278.3 Ų78.313%0.13340%0.404CS..PPolyproline II helixtrans-76.2128.3177.9-177.60000108.4K190 R192 K276 D282 E283K190-V278 HydrophobicContact CB-CB 4.18Å; K190-V278 HydrophobicContact CB-CG2 4.46Å; K190-V278 WeakPolarHBondContact O-CB 3.49Å; K190-V278 PolarHBondContact O-N 2.93Å; R192-V278 HydrophobicContact CB-CG2 3.22Å; R192-V278 HydrophobicContact CG-CG2 4.38Å; K276-V278 PolarHBondContact O-N 2.97Å; V278-D282 HydrophobicContact CG1-CB 3.77Å; V278-E283 HydrophobicContact CG1-CG 3.56Å
279T69.7Low72.3Confident71 Ų7179.1 Ų79.144%0.43640%0.403SS..PPolyproline II helixtrans-93.8161.1166.967.90000109.8T281 D282 E283T279-T281 PolarHBondContact O-N 3.37Å; T279-D282 PolarHBondContact N-OD2 2.91Å; T279-D282 WeakPolarHBondContact O-CB 3.04Å; T279-D282 PolarHBondContact O-N 3.48Å; T279-D282 PolarHBondContact OG1-OD2 2.89Å; T279-E283 PolarHBondContact O-N 3.37Å
280D63.5Low71.7Confident131 Ų13180.2 Ų80.270%0.70141%0.41SS*.Hα-helixtrans-52.7-30.2176.4-167.9-105000112.2E283 T284D280-E283 PolarHBondContact O-N 3.45Å; D280-T284 PolarHBondContact O-N 3.1Å
281T63.8Low71.1Confident88 Ų8881 Ų8154%0.5441%0.411SS..Hα-helixtrans-67-43.7175-370000112.2T279 E283 T284 E285T279-T281 PolarHBondContact O-N 3.37Å; T281-E283 VanDerWaalsContact C-N 3.32Å; T281-E283 PolarHBondContact O-N 3.37Å; T281-T284 PolarHBondContact O-N 3.38Å; T281-T284 PolarHBondContact O-OG1 3.45Å; T281-E285 PolarHBondContact O-N 3.39Å; T281-E285 VanDerWaalsContact O-N 3.14Å
282D66.1Low70.5Confident31 Ų3185.7 Ų85.717%0.16642%0.424CS..Hα-helixtrans-64.6-32.5177.4-69.5-101.7000112.3K276 V278 T279 L286K276-D282 IonicContact NZ-OD1 3.18Å; V278-D282 HydrophobicContact CG1-CB 3.77Å; T279-D282 PolarHBondContact N-OD2 2.91Å; T279-D282 WeakPolarHBondContact O-CB 3.04Å; T279-D282 PolarHBondContact O-N 3.48Å; T279-D282 PolarHBondContact OG1-OD2 2.89Å; D282-L286 WeakPolarHBondContact O-CB 3.48Å; D282-L286 PolarHBondContact O-N 3.49Å
283E64.3Low69.8Low80 Ų8083.3 Ų83.337%0.37441%0.414SS..Hα-helixtrans-64.6-41.7175.6-70.4-162.57500111.4K190 V278 T279 D280 T281 L286 A287K190-E283 IonicContact NZ-OE1 2.7Å; K190-E283 PolarHBondContact NZ-OE1 2.96Å; K190-E283 IonicContact NZ-OE2 2.9Å; K190-E283 PolarHBondContact NZ-OE2 3.35Å; V278-E283 HydrophobicContact CG1-CG 3.56Å; T279-E283 PolarHBondContact O-N 3.37Å; D280-E283 PolarHBondContact O-N 3.45Å; T281-E283 VanDerWaalsContact C-N 3.32Å; T281-E283 PolarHBondContact O-N 3.37Å; E283-L286 PolarHBondContact O-N 3.44Å; E283-A287 PolarHBondContact O-N 3Å
284T66.1Low69.1Low72 Ų7287.1 Ų87.144%0.44243%0.431SS..Hα-helixtrans-71.2-3517959.60000113.4D280 T281 R288D280-T284 PolarHBondContact O-N 3.1Å; T281-T284 PolarHBondContact O-N 3.38Å; T281-T284 PolarHBondContact O-OG1 3.45Å; T284-R288 PolarHBondContact O-N 2.95Å
285E67.9Low68.3Low120 Ų12086.9 Ų86.956%0.56142%0.424SS*.Hα-helixtrans-66.9-40.4173.7-71.1-171107.900111.4T281 R288 Q289T281-E285 PolarHBondContact O-N 3.39Å; T281-E285 VanDerWaalsContact O-N 3.14Å; E285-R288 PolarHBondContact O-N 3.29Å; E285-Q289 WeakPolarHBondContact O-CB 3.45Å; E285-Q289 PolarHBondContact O-N 3.2Å
286L64.1Low67.6Low27 Ų2789.9 Ų89.914%0.14144%0.436CS..Hα-helixtrans-65.5-43.3176.9-178.359.1000112.4R192 I230 D282 E283 R288 Q289 L290R192-L286 VanDerWaalsContact NH1-CD1 3.33Å; I230-L286 HydrophobicContact CD1-CD1 4.22Å; D282-L286 WeakPolarHBondContact O-CB 3.48Å; D282-L286 PolarHBondContact O-N 3.49Å; E283-L286 PolarHBondContact O-N 3.44Å; L286-R288 VanDerWaalsContact C-N 3.25Å; L286-R288 PolarHBondContact O-N 3.12Å; L286-Q289 CarbonylContact O-C 3.6Å; L286-Q289 PolarHBondContact O-N 3.2Å; L286-L290 HydrophobicContact CD1-CD1 4.05Å; L286-L290 HydrophobicContact CD1-CG 4.39Å; L286-L290 HydrophobicContact CD2-CD1 4.24Å; L286-L290 HydrophobicContact CG-CD1 3.74Å; L286-L290 WeakPolarHBondContact O-CB 3.4Å; L286-L290 PolarHBondContact O-N 3.09Å
287A67.6Low66.7Low59 Ų5989 Ų8949%0.48844%0.436SS..Hα-helixtrans-58.9-4017800000111.7E283 E291E283-A287 PolarHBondContact O-N 3Å; A287-E291 WeakPolarHBondContact O-CB 3.16Å; A287-E291 PolarHBondContact O-N 3.19Å
288R72.4Confident66Low192 Ų19290.5 Ų90.573%0.72545%0.453SS*.Hα-helixtrans-67.1-36.6173.8-72.2-180-177.3164.73.5112.6T284 E285 L286 R292T284-R288 PolarHBondContact O-N 2.95Å; E285-R288 PolarHBondContact O-N 3.29Å; L286-R288 VanDerWaalsContact C-N 3.25Å; L286-R288 PolarHBondContact O-N 3.12Å; R288-R292 WeakPolarHBondContact O-CB 3.49Å; R288-R292 PolarHBondContact O-N 3.1Å
289Q66.1Low65.3Low97 Ų9797 Ų9745%0.45348%0.482SS..Hα-helixtrans-71.7-39.2179.1-161.2174.117.400111.8E285 L286 R292 L293E285-Q289 WeakPolarHBondContact O-CB 3.45Å; E285-Q289 PolarHBondContact O-N 3.2Å; L286-Q289 CarbonylContact O-C 3.6Å; L286-Q289 PolarHBondContact O-N 3.2Å; Q289-R292 PolarHBondContact O-N 2.95Å; Q289-L293 HydrophobicContact CG-CD1 4.07Å; Q289-L293 WeakPolarHBondContact O-CB 3.24Å; Q289-L293 WeakPolarHBondContact O-CD1 3.32Å; Q289-L293 VanDerWaalsContact O-CG 3.22Å; Q289-L293 WeakPolarHBondContact O-CG 3.5Å; Q289-L293 PolarHBondContact O-N 2.92Å
290L64.4Low64.6Low54 Ų5499.2 Ų99.228%0.28350%0.495SS..Hα-helixtrans-61.1-50.2171.3-88.1150.9000110.8I230 L286 R292 L293 E294I230-L290 HydrophobicContact CG1-CD2 4.36Å; I230-L290 HydrophobicContact CG2-CD2 4.17Å; L286-L290 HydrophobicContact CD1-CD1 4.05Å; L286-L290 HydrophobicContact CD1-CG 4.39Å; L286-L290 HydrophobicContact CD2-CD1 4.24Å; L286-L290 HydrophobicContact CG-CD1 3.74Å; L286-L290 WeakPolarHBondContact O-CB 3.4Å; L286-L290 PolarHBondContact O-N 3.09Å; L290-R292 VanDerWaalsContact C-N 3.27Å; L290-R292 PolarHBondContact O-N 2.85Å; L290-L293 PolarHBondContact O-N 2.79Å; L290-E294 WeakPolarHBondContact O-CB 3.49Å; L290-E294 WeakPolarHBondContact O-CG 3.4Å; L290-E294 PolarHBondContact O-N 2.65Å
291E69.4Low63.6Low104 Ų104100.6 Ų100.649%0.48650%0.503SS..Hα-helixtrans-61.5-36.8179.3-170.1-178112.900112.1A287 R295A287-E291 WeakPolarHBondContact O-CB 3.16Å; A287-E291 PolarHBondContact O-N 3.19Å; E291-R295 WeakPolarHBondContact O-CG 3.33Å; E291-R295 PolarHBondContact O-N 3.06Å; E291-R295 IonicContact OE1-CZ 2.72Å; E291-R295 IonicContact OE1-NH1 3.99Å; E291-R295 IonicContact OE1-NH2 2.8Å; E291-R295 PolarHBondContact OE1-NH2 3.2Å
292R69.3Low62.6Low167 Ų16799.8 Ų99.863%0.6351%0.512SS*.Hα-helixtrans-67.9-46.1176.7-170.1-178.6176.8164.53111.9R288 Q289 L290 R295 E296R288-R292 WeakPolarHBondContact O-CB 3.49Å; R288-R292 PolarHBondContact O-N 3.1Å; Q289-R292 PolarHBondContact O-N 2.95Å; L290-R292 VanDerWaalsContact C-N 3.27Å; L290-R292 PolarHBondContact O-N 2.85Å; R292-R295 PolarHBondContact O-N 3.5Å; R292-E296 IonicContact NE-OE1 3.3Å; R292-E296 WeakPolarHBondContact O-CG 3.37Å; R292-E296 PolarHBondContact O-N 2.92Å
293L64.5Low61.3Low46 Ų46105.8 Ų105.824%0.24154%0.544CS..Hα-helixtrans-70.8-32.2179.5-70.3167.3000112.2I230 Q289 L290 N297I230-L293 HydrophobicContact CG2-CD1 3.54Å; Q289-L293 HydrophobicContact CG-CD1 4.07Å; Q289-L293 WeakPolarHBondContact O-CB 3.24Å; Q289-L293 WeakPolarHBondContact O-CD1 3.32Å; Q289-L293 VanDerWaalsContact O-CG 3.22Å; Q289-L293 WeakPolarHBondContact O-CG 3.5Å; Q289-L293 PolarHBondContact O-N 2.92Å; L290-L293 PolarHBondContact O-N 2.79Å; L293-N297 WeakPolarHBondContact O-CB 3.39Å; L293-N297 PolarHBondContact O-N 3.03Å; L293-N297 PolarHBondContact O-ND2 3.12Å
294E64.4Low60.2Low132 Ų132109.2 Ų109.262%0.61757%0.565SS**Hα-helixtrans-66.2-39.8171.2-79.4-17791.200111.3L290 A298L290-E294 WeakPolarHBondContact O-CB 3.49Å; L290-E294 WeakPolarHBondContact O-CG 3.4Å; L290-E294 PolarHBondContact O-N 2.65Å; E294-A298 WeakPolarHBondContact O-CB 3.29Å; E294-A298 PolarHBondContact O-N 3.42Å
295R63.4Low59Low148 Ų148112.3 Ų112.356%0.55858%0.579SS**Hα-helixtrans-64.5-48.2171.9-78.8-174.6-173.3147.817.7112E291 R292 N297 A298 E299E291-R295 WeakPolarHBondContact O-CG 3.33Å; E291-R295 PolarHBondContact O-N 3.06Å; E291-R295 IonicContact OE1-CZ 2.72Å; E291-R295 IonicContact OE1-NH1 3.99Å; E291-R295 IonicContact OE1-NH2 2.8Å; E291-R295 PolarHBondContact OE1-NH2 3.2Å; R292-R295 PolarHBondContact O-N 3.5Å; R295-N297 VanDerWaalsContact C-N 3.27Å; R295-N297 PolarHBondContact O-N 3.09Å; R295-A298 PolarHBondContact O-N 3.23Å; R295-A298 VanDerWaalsContact O-N 3.16Å; R295-E299 WeakPolarHBondContact O-CG 3.44Å; R295-E299 PolarHBondContact O-N 2.94Å
296E63.3Low57.6Low89 Ų89110.7 Ų110.742%0.41659%0.586SS.*Hα-helixtrans-63.1-31.9-180-73.8169.9133.600112.5R292 V300R292-E296 IonicContact NE-OE1 3.3Å; R292-E296 WeakPolarHBondContact O-CG 3.37Å; R292-E296 PolarHBondContact O-N 2.92Å; E296-V300 WeakPolarHBondContact O-CG2 3.41Å
297N61.5Low56.5Low95 Ų95117.7 Ų117.751%0.50862%0.618SS.*Hα-helixtrans-80.9-33.1173-80.8-33.3000113.3L293 R295 E299L293-N297 WeakPolarHBondContact O-CB 3.39Å; L293-N297 PolarHBondContact O-N 3.03Å; L293-N297 PolarHBondContact O-ND2 3.12Å; R295-N297 VanDerWaalsContact C-N 3.27Å; R295-N297 PolarHBondContact O-N 3.09Å; N297-E299 VanDerWaalsContact C-N 3.34Å
298A60.1Low55.1Low75 Ų75124.1 Ų124.162%0.6264%0.638SS**Hα-helixtrans-72.3-27178.300000112.9E294 R295 V300E294-A298 WeakPolarHBondContact O-CB 3.29Å; E294-A298 PolarHBondContact O-N 3.42Å; R295-A298 PolarHBondContact O-N 3.23Å; R295-A298 VanDerWaalsContact O-N 3.16Å; A298-V300 VanDerWaalsContact C-N 3.28Å; A298-V300 PolarHBondContact O-N 3.2Å
299E58.7Low53.4Low159 Ų159122.8 Ų122.874%0.74364%0.642SS**THydrogen-bonded Turntrans-79.4-3-179.9-72.5177.5111.500114.1R295 N297R295-E299 WeakPolarHBondContact O-CG 3.44Å; R295-E299 PolarHBondContact O-N 2.94Å; N297-E299 VanDerWaalsContact C-N 3.34Å
300V55.3Low51.8Low117 Ų117127.2 Ų127.271%0.70966%0.662SS**THydrogen-bonded Turntrans-1048.9-175.1-178.70000113.4E296 A298 G302E296-V300 WeakPolarHBondContact O-CG2 3.41Å; A298-V300 VanDerWaalsContact C-N 3.28Å; A298-V300 PolarHBondContact O-N 3.2Å; V300-G302 PolarHBondContact O-N 3.17Å
301D42.1Very low50.5Low161 Ų161128.7 Ų128.786%0.86168%0.682SS**SBendtrans-78.683.2174.1-149.7-115.3000111.3
302G43.4Very low49.1Very low71 Ų71133.3 Ų133.373%0.73270%0.701SS**  trans80.490.2148.500000119.9V300V300-G302 PolarHBondContact O-N 3.17Å
303D38.7Very low47.4Very low156 Ų156132 Ų13283%0.83471%0.712SS**  trans-91.5109.6139.8-150.23.1000106.3D305D303-D305 PolarHBondContact O-N 2.97Å
304D41.3Very low46.1Very low153 Ų153138.4 Ų138.482%0.81874%0.74SS**  trans-83.988.7179.6-147.2-22.7000107.1A306D304-A306 PolarHBondContact O-N 3.18Å
305D41Very low44.7Very low136 Ų136143.5 Ų143.573%0.72777%0.772SS**  trans-74.480.6174.6-131.1-59.7000108.9D303 E307D303-D305 PolarHBondContact O-N 2.97Å; D305-E307 PolarHBondContact O-N 3.23Å
306A38.9Very low43.7Very low86 Ų86143.3 Ų143.371%0.71178%0.782SS**  trans-80.784.2165.600000109.5D304 E308D304-A306 PolarHBondContact O-N 3.18Å; A306-E308 VanDerWaalsContact C-N 3.35Å; A306-E308 PolarHBondContact O-N 3.47Å; A306-E308 VanDerWaalsContact O-N 3.08Å
307E40.3Very low42.7Very low175 Ų175146.1 Ų146.182%0.81880%0.802SS**  trans-68.393.1156.6-84.5-168.313800109D305D305-E307 PolarHBondContact O-N 3.23Å
308E37.8Very low41.7Very low194 Ų194148.9 Ų148.991%0.90782%0.818SS**  trans-97.1105.8156.8-148.9170.2172.600108.5A306A306-E308 VanDerWaalsContact C-N 3.35Å; A306-E308 PolarHBondContact O-N 3.47Å; A306-E308 VanDerWaalsContact O-N 3.08Å
309M37Very low40.6Very low163 Ų163153.3 Ų153.380%0.80383%0.83SS**  trans-69.3153.5173-132-172.7-8200110.7
310E33.9Very low39.5Very low190 Ų190152.9 Ų152.989%0.88884%0.835SS**  trans87.5131.6169.1-58.3-173.3153.200116.8
311A35.3Very low38.4Very low85 Ų85155.3 Ų155.370%0.70284%0.843SS**  cis-156.1146.66.300000109.8
312K40Very low38.1Very low202 Ų202154.9 Ų154.988%0.87884%0.842SS**  trans-63.7127.8155.1-77176172.2179.60108.6
313T34.7Very low37.7Very low139 Ų139161.4 Ų161.485%0.85385%0.851SS**  trans-143.4129.2137.3-15.40000109
314E37.3Very low37.7Very low180 Ų180161.8 Ų161.884%0.84185%0.852SS**  trans-64.8169.5178.6-76.415886.700113.3
315D34.3Very low37.3Very low239 Ų239162.6 Ų162.6100%1.27886%0.855SS**  trans-16.10158.6-158.3-110.9000117.1

Retrieved 315 of 315 residues in 858.6 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).