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Isoform 5 of Voltage-gated potassium channel KCNC2 AlphaSync

Canonical isoform description: Voltage-gated potassium channel that mediates transmembrane potassium transport in excitable membranes, primarily in the brain. Contributes to the regulation of the fast action potential repolarization and in sustained high-frequency firing in neurons of the central nervous system. Homotetramer channels mediate delayed-rectifier voltage-dependent potassium currents that activate rapidly at high-threshold voltages and inactivate slowly. Forms tetrameric channels through which potassium ions pass in accordance with their electrochemical gradient. The channel alternates between opened and closed conformations in response to the voltage difference across the membrane (Probable)1,2,3. Can form functional homotetrameric and heterotetrameric channels that contain variable proportions of KCNC1, and possibly other family members as well; channel properties depend on the type of alpha subunits that are part of the channel. Channel properties may be modulated either by the association with ancillary subunits, such as KCNE1, KCNE2 or KCNE3 or indirectly by nitric oxide (NO) through a cGMP- and PKG-mediated signaling cascade, slowing channel activation and deactivation of delayed rectifier potassium channels (By similarity). Contributes to fire sustained trains of very brief action potentials at high frequency in retinal ganglion cells, thalamocortical and suprachiasmatic nucleus (SCN) neurons and in hippocampal and neocortical interneurons4. Sustained maximal action potential firing frequency in inhibitory hippocampal interneurons is negatively modulated by histamine H2 receptor activation in a cAMP- and protein kinase (PKA) phosphorylation-dependent manner. Plays a role in maintaining the fidelity of synaptic transmission in neocortical GABAergic interneurons by generating action potential (AP) repolarization at nerve terminals, thus reducing spike-evoked calcium influx and GABA neurotransmitter release. Required for long-range synchronization of gamma oscillations over distance in the neocortex. Contributes to the modulation of the circadian rhythm of spontaneous action potential firing in suprachiasmatic nucleus (SCN) neurons in a light-dependent manner (By similarity).

AlphaFold DB , UniProt , Accession Q96PR1-5 (canonical: Q96PR1), Species HUMAN (Homo sapiens, Human), Gene KCNC2, Length 583 aa.

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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
1M40.3Very low64.4Low239 Ų239115.4 Ų115.4100%1.17759%0.591SS**  0115.60-88.576.2158.200108.4
2G44.1Very low66.9Low82 Ų82105.8 Ų105.885%0.84554%0.542SS*.  trans-161.116.8-177.700000116.1
3K43.1Very low69.1Low194 Ų19499.5 Ų99.584%0.84351%0.51SS*.SBendtrans-120.8-0-175.9-84.4-173.8175-179.40114.8
4I50.2Low71.1Confident150 Ų15092.4 Ų92.477%0.76947%0.473SS*.SBendtrans-93.6-26.9-170.9-58.7176.3000112.5N6I4-N6 VanDerWaalsContact C-N 3.26Å; I4-N6 PolarHBondContact O-N 3.23Å
5E53.2Low72.6Confident156 Ų15688.7 Ų88.773%0.72947%0.467SS*.G310 helixtrans-68.8-18-176-69.3-178.4173.300114.7N7E5-N7 VanDerWaalsContact C-N 3.33Å; E5-N7 PolarHBondContact O-N 3.46Å
6N57.7Low73.9Confident96 Ų9686.6 Ų86.651%0.51347%0.474SS..G310 helixtrans-77.9-12.5-175.7-80.1-11.3000114.6I4 S24I4-N6 VanDerWaalsContact C-N 3.26Å; I4-N6 PolarHBondContact O-N 3.23Å; N6-S24 WeakPolarHBondContact O-CB 2.78Å; N6-S24 PolarHBondContact O-OG 2.9Å
7N66.6Low75.2Confident119 Ų11985.3 Ų85.364%0.63647%0.469SS*.G310 helixtrans-11716.3-175.1-77.5-3.4000114.4E5 R9 Y22E5-N7 VanDerWaalsContact C-N 3.33Å; E5-N7 PolarHBondContact O-N 3.46Å; N7-R9 PolarHBondContact O-N 3.13Å; N7-Y22 WeakPolarHBondContact O-CD1 3.04Å
8E82.3Confident76.3Confident74 Ų7489.1 Ų89.135%0.34648%0.475SS..  trans-65.8124.5173.9-167.1-171.6149.800110.2Y22 R23E8-Y22 WeakPolarHBondContact O-CA 3.48Å; E8-R23 HydrophobicContact CB-CG 4.16Å; E8-R23 PolarHBondContact O-N 2.91Å; E8-R23 IonicContact OE1-CZ 3.61Å; E8-R23 IonicContact OE1-NE 3.71Å; E8-R23 PolarHBondContact OE1-NE 3.43Å; E8-R23 IonicContact OE1-NH2 3.81Å; E8-R23 PolarHBondContact OE1-NH2 2.77Å; E8-R23 WeakPolarHBondContact OE2-CD 3.4Å; E8-R23 IonicContact OE2-CZ 3.53Å; E8-R23 IonicContact OE2-NE 2.96Å; E8-R23 PolarHBondContact OE2-NE 3.41Å; E8-R23 IonicContact OE2-NH2 3.73Å
9R87.8Confident77.3Confident131 Ų13185.8 Ų85.849%0.49446%0.457SS..EExtended strand (participates in β ladder)trans-76.6133.2176.9-170.9-175.1-65.5-160.58.2109.8N7 E20 T21N7-R9 PolarHBondContact O-N 3.13Å; R9-E20 WeakPolarHBondContact CD-OE2 3.37Å; R9-E20 IonicContact CZ-OE2 3.95Å; R9-E20 IonicContact NE-OE2 3.32Å; R9-E20 IonicContact NH1-OE2 3.76Å; R9-E20 PolarHBondContact NH1-OE2 3.13Å; R9-T21 WeakPolarHBondContact CA-O 3.43Å
10V90Very high78.2Confident2 Ų286 Ų861%0.01246%0.455CS..EExtended strand (participates in β ladder)trans-120.7139.8175.4178.30000109.2L12 T21 R23 F102V10-L12 HydrophobicContact CG1-CD2 4Å; V10-L12 HydrophobicContact CG1-CG 4.4Å; V10-T21 PolarHBondContact N-O 2.92Å; V10-T21 PolarHBondContact O-N 3.44Å; V10-R23 HydrophobicContact CG2-CG 3.47Å; V10-R23 VanDerWaalsContact CG2-CG 3.47Å; V10-F102 HydrophobicContact CG1-CD2 3.67Å; V10-F102 HydrophobicContact CG1-CE2 3.69Å
11I93Very high78.9Confident26 Ų2682.2 Ų82.213%0.13344%0.435CS..EExtended strand (participates in β ladder)trans-106.5123.8175.9-52.5-179.8000108R18 E20 R100 E101 F102I11-R18 HydrophobicContact CG2-CB 4.2Å; I11-R18 HydrophobicContact CG2-CG 4.23Å; I11-E20 HydrophobicContact CG1-CG 4.3Å; I11-R100 PolarHBondContact N-O 2.97Å; I11-R100 VanDerWaalsContact N-O 3.09Å; I11-E101 HydrophobicContact CB-CB 4.17Å; I11-E101 HydrophobicContact CB-CG 4.29Å; I11-E101 HydrophobicContact CG2-CB 4.31Å; I11-E101 HydrophobicContact CG2-CG 3.92Å; I11-E101 CarbonylContact O-C 3.49Å; I11-E101 VanDerWaalsContact O-CA 3.28Å; I11-E101 WeakPolarHBondContact O-CA 3.4Å; I11-F102 PolarHBondContact O-N 3.25Å
12L94.5Very high81.4Confident0 Ų075.9 Ų75.90%040%0.399CS..EExtended strand (participates in β ladder)trans-110.6110.1175.5-57.7175.2000108.1V10 H19 T21 L26 L34 F102 F104 F111V10-L12 HydrophobicContact CG1-CD2 4Å; V10-L12 HydrophobicContact CG1-CG 4.4Å; L12-H19 HydrophobicContact CB-CB 4.4Å; L12-H19 PolarHBondContact N-O 3.09Å; L12-H19 PolarHBondContact O-N 3.22Å; L12-T21 HydrophobicContact CD1-CG2 4.4Å; L12-L26 HydrophobicContact CD1-CD1 4.2Å; L12-L26 HydrophobicContact CD1-CD2 4.29Å; L12-L34 HydrophobicContact CD1-CD2 4.16Å; L12-F102 CarbonylContact C-O 3.49Å; L12-F102 HydrophobicContact CD2-CB 4.04Å; L12-F102 HydrophobicContact CD2-CD2 4.07Å; L12-F102 HydrophobicContact CD2-CG 4.44Å; L12-F104 HydrophobicContact CD2-CE2 4.28Å; L12-F111 HydrophobicContact CB-CE1 4.28Å; L12-F111 HydrophobicContact CB-CZ 4.3Å; L12-F111 HydrophobicContact CD1-CE1 4.21Å; L12-F111 HydrophobicContact CD1-CZ 3.64Å
13N95.7Very high83.5Confident24 Ų2472.5 Ų72.513%0.12836%0.361CS..EExtended strand (participates in β ladder)trans-91.3104.5175.9-174.8-22.5000109.5G16 T17 E101 F102 F103 F104N13-G16 WeakPolarHBondContact OD1-CA 3.32Å; N13-G16 PolarHBondContact OD1-N 3.44Å; N13-G16 VanDerWaalsContact OD1-N 3.12Å; N13-T17 CarbonylContact C-O 3.56Å; N13-T17 WeakPolarHBondContact CA-O 2.92Å; N13-E101 HydrophobicContact CB-CG 3.91Å; N13-E101 VanDerWaalsContact CB-OE1 3.29Å; N13-E101 WeakPolarHBondContact CB-OE1 3.46Å; N13-E101 PolarHBondContact ND2-OE1 2.82Å; N13-F102 PolarHBondContact N-O 3.45Å; N13-F103 HydrophobicContact CB-CD2 4.2Å; N13-F103 CarbonylContact O-C 3.37Å; N13-F103 VanDerWaalsContact O-CA 3.29Å; N13-F103 WeakPolarHBondContact O-CA 3.41Å; N13-F104 PolarHBondContact O-N 3.12Å
14V96.7Very high85.8Confident0 Ų065.1 Ų65.10%033%0.334CS..EExtended strand (participates in β ladder)trans-110.3115.4-178.4-174.20000108.9G16 T17 F104 R106 P108 F111 W141V14-G16 PolarHBondContact O-N 3.38Å; V14-G16 VanDerWaalsContact O-N 3.1Å; V14-T17 PolarHBondContact N-O 2.99Å; V14-T17 WeakPolarHBondContact O-CB 3.21Å; V14-T17 PolarHBondContact O-N 3.01Å; V14-F104 CarbonylContact C-O 3.6Å; V14-F104 VanDerWaalsContact CA-O 3.31Å; V14-F104 WeakPolarHBondContact CA-O 3.11Å; V14-F104 HydrophobicContact CG2-CB 4.3Å; V14-F104 HydrophobicContact CG2-CD2 4.46Å; V14-R106 HydrophobicContact CG1-CB 3.93Å; V14-P108 WeakPolarHBondContact O-CB 3.49Å; V14-F111 HydrophobicContact CB-CB 4.35Å; V14-F111 HydrophobicContact CB-CD1 4.09Å; V14-F111 HydrophobicContact CB-CG 4.16Å; V14-F111 HydrophobicContact CG1-CB 3.9Å; V14-F111 HydrophobicContact CG1-CD1 4.49Å; V14-F111 HydrophobicContact CG1-CG 4.07Å; V14-F111 HydrophobicContact CG2-CB 4.39Å; V14-F111 HydrophobicContact CG2-CD1 3.47Å; V14-F111 VanDerWaalsContact CG2-CD1 3.47Å; V14-F111 HydrophobicContact CG2-CD2 4.05Å; V14-F111 HydrophobicContact CG2-CE1 3.65Å; V14-F111 HydrophobicContact CG2-CE2 4.19Å; V14-F111 HydrophobicContact CG2-CG 3.68Å; V14-F111 HydrophobicContact CG2-CZ 4.01Å; V14-W141 HydrophobicContact CG1-CZ2 4.27Å; V14-W141 HydrophobicContact CG2-CH2 4.3Å; V14-W141 HydrophobicContact CG2-CZ2 4.49Å
15G94.4Very high87.9Confident37 Ų3759.1 Ų59.138%0.38130%0.304SS..THydrogen-bonded Turntrans55.530.4-179.900000114.1F104 R106G15-F104 PolarHBondContact N-O 3.17Å; G15-R106 PolarHBondContact N-O 2.97Å
16G93.3Very high89.8Confident56 Ų5651.7 Ų51.758%0.57727%0.269SS*.THydrogen-bonded Turntrans88-5.1-175.200000115.3N13 V14N13-G16 WeakPolarHBondContact OD1-CA 3.32Å; N13-G16 PolarHBondContact OD1-N 3.44Å; N13-G16 VanDerWaalsContact OD1-N 3.12Å; V14-G16 PolarHBondContact O-N 3.38Å; V14-G16 VanDerWaalsContact O-N 3.1Å
17T95.7Very high91.5Very high64 Ų6451.6 Ų51.639%0.39326%0.264SS..EExtended strand (participates in β ladder)trans-97.1126.4177.2-53.20000110.6N13 V14 H19 P108N13-T17 CarbonylContact C-O 3.56Å; N13-T17 WeakPolarHBondContact CA-O 2.92Å; V14-T17 PolarHBondContact N-O 2.99Å; V14-T17 WeakPolarHBondContact O-CB 3.21Å; V14-T17 PolarHBondContact O-N 3.01Å; T17-H19 PolarHBondContact O-CD2 3.01Å; T17-P108 HydrophobicContact CG2-CB 4.37Å; T17-P108 WeakPolarHBondContact OG1-CB 3.4Å
18R95.6Very high92.7Very high153 Ų15349.6 Ų49.658%0.57726%0.256SS*.EExtended strand (participates in β ladder)trans-86.6123.4179.6-67.9-179.4175.4138-5.7111.5I11 E101I11-R18 HydrophobicContact CG2-CB 4.2Å; I11-R18 HydrophobicContact CG2-CG 4.23Å; R18-E101 IonicContact CZ-OE1 3.14Å; R18-E101 IonicContact NE-OE1 2.74Å; R18-E101 PolarHBondContact NE-OE1 3.42Å; R18-E101 IonicContact NE-OE2 3.91Å; R18-E101 IonicContact NH2-OE1 2.86Å; R18-E101 IonicContact NH2-OE2 3.91Å
19H95.3Very high93.3Very high27 Ų2747.6 Ų47.613%0.12525%0.248CC..EExtended strand (participates in β ladder)trans-112.9121.2173.1-63.2-100.3000109.8L12 T17 F111 L115L12-H19 HydrophobicContact CB-CB 4.4Å; L12-H19 PolarHBondContact N-O 3.09Å; L12-H19 PolarHBondContact O-N 3.22Å; T17-H19 PolarHBondContact O-CD2 3.01Å; H19-F111 HydrophobicContact CB-CD1 4.33Å; H19-F111 HydrophobicContact CB-CE1 3.85Å; H19-F111 AromaticContact CD2-CD1 3.57Å; H19-F111 AromaticContact CD2-CE1 3.92Å; H19-F111 AromaticContact CE1-CD1 3.84Å; H19-F111 AromaticContact CG-CD1 3.68Å; H19-F111 AromaticContact CG-CE1 3.72Å; H19-F111 AromaticContact ND1-CD1 3.84Å; H19-F111 AromaticContact NE2-CD1 3.7Å; H19-L115 HydrophobicContact CB-CD2 3.86Å
20E93.9Very high93.4Very high89 Ų8946.6 Ų46.642%0.41626%0.258SS..EExtended strand (participates in β ladder)trans-99.5137.5178.6-61.1-173.6-160.600111.4R9 I11 R119R9-E20 WeakPolarHBondContact CD-OE2 3.37Å; R9-E20 IonicContact CZ-OE2 3.95Å; R9-E20 IonicContact NE-OE2 3.32Å; R9-E20 IonicContact NH1-OE2 3.76Å; R9-E20 PolarHBondContact NH1-OE2 3.13Å; I11-E20 HydrophobicContact CG1-CG 4.3Å; E20-R119 PolarHBondContact O-NH2 3.26Å
21T93.4Very high93.2Very high7 Ų749.9 Ų49.94%0.04329%0.293CS..EExtended strand (participates in β ladder)trans-155.7-177.7176.1-163.80000111.5R9 V10 L12 T25 L26 L115R9-T21 WeakPolarHBondContact CA-O 3.43Å; V10-T21 PolarHBondContact N-O 2.92Å; V10-T21 PolarHBondContact O-N 3.44Å; L12-T21 HydrophobicContact CD1-CG2 4.4Å; T21-T25 WeakPolarHBondContact OG1-CB 3.29Å; T21-L26 HydrophobicContact CG2-CD1 4.06Å; T21-L26 HydrophobicContact CG2-CD2 3.78Å; T21-L26 HydrophobicContact CG2-CG 3.82Å; T21-L115 HydrophobicContact CG2-CD1 4.08Å
22Y92Very high93.3Very high107 Ų10749.2 Ų49.242%0.4229%0.29SS..EExtended strand (participates in β ladder)trans-104.8148177.7-60.9-76.2000110.6N7 E8 S24 T25 L26N7-Y22 WeakPolarHBondContact O-CD1 3.04Å; E8-Y22 WeakPolarHBondContact O-CA 3.48Å; Y22-S24 WeakPolarHBondContact CB-OG 3.07Å; Y22-S24 PolarHBondContact O-N 3.29Å; Y22-T25 WeakPolarHBondContact O-CB 3.3Å; Y22-T25 PolarHBondContact O-N 3.47Å; Y22-L26 PolarHBondContact O-N 2.95Å
23R90.1Very high93.2Very high10 Ų1054 Ų544%0.03831%0.308CS..Hα-helixtrans-54.7-36.2172.6-74-166.5-175.6-80.5-11.1112.5E8 V10 T25 L26 K27 L37 A38E8-R23 HydrophobicContact CB-CG 4.16Å; E8-R23 PolarHBondContact O-N 2.91Å; E8-R23 IonicContact OE1-CZ 3.61Å; E8-R23 IonicContact OE1-NE 3.71Å; E8-R23 PolarHBondContact OE1-NE 3.43Å; E8-R23 IonicContact OE1-NH2 3.81Å; E8-R23 PolarHBondContact OE1-NH2 2.77Å; E8-R23 WeakPolarHBondContact OE2-CD 3.4Å; E8-R23 IonicContact OE2-CZ 3.53Å; E8-R23 IonicContact OE2-NE 2.96Å; E8-R23 PolarHBondContact OE2-NE 3.41Å; E8-R23 IonicContact OE2-NH2 3.73Å; V10-R23 HydrophobicContact CG2-CG 3.47Å; V10-R23 VanDerWaalsContact CG2-CG 3.47Å; R23-T25 VanDerWaalsContact C-N 3.3Å; R23-T25 PolarHBondContact O-N 3.26Å; R23-L26 PolarHBondContact O-N 3.15Å; R23-K27 WeakPolarHBondContact O-CG 3.29Å; R23-K27 PolarHBondContact O-N 3.21Å; R23-L37 PolarHBondContact NH1-O 3.41Å; R23-A38 PolarHBondContact NH1-O 3.17Å
24S91.5Very high93.1Very high39 Ų3952.9 Ų52.927%0.27330%0.302SS..Hα-helixtrans-58.8-40.7175.347.30000112.5N6 Y22 K27 T28N6-S24 WeakPolarHBondContact O-CB 2.78Å; N6-S24 PolarHBondContact O-OG 2.9Å; Y22-S24 WeakPolarHBondContact CB-OG 3.07Å; Y22-S24 PolarHBondContact O-N 3.29Å; S24-K27 PolarHBondContact O-N 3.42Å; S24-T28 WeakPolarHBondContact O-CG2 3.28Å
25T93.8Very high92.9Very high24 Ų2453.4 Ų53.415%0.14731%0.306CS..Hα-helixtrans-63.6-40.9175.9-540000111.8T21 Y22 R23 K27 T28 Y118 R119T21-T25 WeakPolarHBondContact OG1-CB 3.29Å; Y22-T25 WeakPolarHBondContact O-CB 3.3Å; Y22-T25 PolarHBondContact O-N 3.47Å; R23-T25 VanDerWaalsContact C-N 3.3Å; R23-T25 PolarHBondContact O-N 3.26Å; T25-K27 VanDerWaalsContact C-N 3.33Å; T25-K27 PolarHBondContact O-N 2.93Å; T25-T28 WeakPolarHBondContact O-CG2 3.45Å; T25-T28 PolarHBondContact O-N 3.07Å; T25-T28 PolarHBondContact O-OG1 3.37Å; T25-Y118 WeakPolarHBondContact O-CD1 3.47Å; T25-R119 HydrophobicContact CG2-CB 4.48Å; T25-R119 HydrophobicContact CG2-CG 3.74Å
26L93.6Very high92.6Very high1 Ų156.9 Ų56.91%0.00532%0.316CS..Hα-helixtrans-73.9-25.2-179.6-61.3-174.6000113.2L12 T21 Y22 R23 T28 L34 A35 A38 L115 Y118L12-L26 HydrophobicContact CD1-CD1 4.2Å; L12-L26 HydrophobicContact CD1-CD2 4.29Å; T21-L26 HydrophobicContact CG2-CD1 4.06Å; T21-L26 HydrophobicContact CG2-CD2 3.78Å; T21-L26 HydrophobicContact CG2-CG 3.82Å; Y22-L26 PolarHBondContact O-N 2.95Å; R23-L26 PolarHBondContact O-N 3.15Å; L26-T28 VanDerWaalsContact C-N 3.28Å; L26-T28 PolarHBondContact O-N 2.81Å; L26-L34 HydrophobicContact CD2-CB 4.08Å; L26-L34 HydrophobicContact CD2-CD1 4.05Å; L26-A35 WeakPolarHBondContact O-CA 3.44Å; L26-A35 WeakPolarHBondContact O-CB 3.33Å; L26-A38 HydrophobicContact CB-CB 3.68Å; L26-A38 HydrophobicContact CD1-CB 4.49Å; L26-L115 HydrophobicContact CD2-CD1 3.97Å; L26-Y118 HydrophobicContact CD2-CD1 4.41Å; L26-Y118 WeakPolarHBondContact O-CE1 3.34Å
27K92.2Very high92.4Very high93 Ų9354.8 Ų54.840%0.40429%0.291SS..THydrogen-bonded Turntrans-77.2-7.7176.2-71.7177-179.6-177.40113.6R23 S24 T25 L29 A38R23-K27 WeakPolarHBondContact O-CG 3.29Å; R23-K27 PolarHBondContact O-N 3.21Å; S24-K27 PolarHBondContact O-N 3.42Å; T25-K27 VanDerWaalsContact C-N 3.33Å; T25-K27 PolarHBondContact O-N 2.93Å; K27-L29 VanDerWaalsContact C-N 3.31Å; K27-L29 PolarHBondContact O-N 3.35Å; K27-A38 WeakPolarHBondContact CE-O 3.23Å; K27-A38 HydrophobicContact CG-CB 3.76Å
28T92.9Very high91.9Very high77 Ų7751.9 Ų51.947%0.47227%0.274SS..THydrogen-bonded Turntrans-67.5-29.2-176.858.20000113.4S24 T25 L26 P30 Y118S24-T28 WeakPolarHBondContact O-CG2 3.28Å; T25-T28 WeakPolarHBondContact O-CG2 3.45Å; T25-T28 PolarHBondContact O-N 3.07Å; T25-T28 PolarHBondContact O-OG1 3.37Å; L26-T28 VanDerWaalsContact C-N 3.28Å; L26-T28 PolarHBondContact O-N 2.81Å; T28-P30 WeakPolarHBondContact O-CD 3.48Å; T28-Y118 PolarHBondContact OG1-O 3.28Å
29L93.1Very high91Very high33 Ų3348.1 Ų48.117%0.17327%0.271CS..SBendtrans-115.883.6-179.4-62.6171.7000109.9K27 T32 A35 Y117 Y118K27-L29 VanDerWaalsContact C-N 3.31Å; K27-L29 PolarHBondContact O-N 3.35Å; L29-T32 HydrophobicContact CB-CG2 3.93Å; L29-T32 WeakPolarHBondContact O-CG2 3.5Å; L29-T32 PolarHBondContact O-OG1 3.44Å; L29-A35 WeakPolarHBondContact O-CB 3.26Å; L29-Y117 HydrophobicContact CD1-CD1 3.39Å; L29-Y117 HydrophobicContact CD1-CE1 3.23Å; L29-Y117 HydrophobicContact CD1-CE2 4.47Å; L29-Y117 HydrophobicContact CD1-CG 4.1Å; L29-Y117 HydrophobicContact CD2-CE1 4.17Å; L29-Y117 HydrophobicContact CG-CE1 4.33Å; L29-Y118 HydrophobicContact CB-CD1 4.05Å; L29-Y118 HydrophobicContact CB-CE1 3.69Å; L29-Y118 HydrophobicContact CD1-CD1 3.82Å; L29-Y118 HydrophobicContact CD1-CD2 3.93Å; L29-Y118 HydrophobicContact CD1-CE1 3.91Å; L29-Y118 HydrophobicContact CD1-CE2 3.95Å; L29-Y118 HydrophobicContact CD1-CG 3.84Å; L29-Y118 HydrophobicContact CG-CD1 4.11Å; L29-Y118 HydrophobicContact CG-CE1 4.2Å
30P90.7Very high89.9Confident109 Ų10949 Ų4971%0.70828%0.28SS*.THydrogen-bonded Turntrans-63.9153.2-176.128-35.5000112.2T28 T32T28-P30 WeakPolarHBondContact O-CD 3.48Å; P30-T32 PolarHBondContact O-N 2.98Å
31G86.6Confident88.1Confident72 Ų7252.8 Ų52.874%0.74230%0.298SS*.THydrogen-bonded Turntrans82.3-13.8179.500000115
32T94Very high86.2Confident12 Ų1256.1 Ų56.17%0.07432%0.32CS..SBendtrans-75.6162173.763.70000112.3L29 P30 L34 A35 L36 Y118L29-T32 HydrophobicContact CB-CG2 3.93Å; L29-T32 WeakPolarHBondContact O-CG2 3.5Å; L29-T32 PolarHBondContact O-OG1 3.44Å; P30-T32 PolarHBondContact O-N 2.98Å; T32-L34 VanDerWaalsContact C-N 3.28Å; T32-L34 PolarHBondContact O-N 3.45Å; T32-A35 PolarHBondContact O-N 3.39Å; T32-A35 WeakPolarHBondContact OG1-CB 3.33Å; T32-A35 PolarHBondContact OG1-N 2.94Å; T32-L36 WeakPolarHBondContact O-CG 3.48Å; T32-L36 PolarHBondContact O-N 3.42Å; T32-Y118 WeakPolarHBondContact CB-OH 3.39Å; T32-Y118 WeakPolarHBondContact CG2-OH 3.09Å; T32-Y118 PolarHBondContact OG1-OH 3.16Å
33R93Very high84Confident101 Ų10156.5 Ų56.538%0.38134%0.335SS..Hα-helixtrans-57.4-40.7177.7-172.7-173.8-65-103.11.5112.1L36 L37 F140 W141R33-L36 PolarHBondContact O-N 3.2Å; R33-L37 WeakPolarHBondContact O-CG 3.27Å; R33-L37 PolarHBondContact O-N 3.05Å; R33-F140 PolarHBondContact NE-O 3.46Å; R33-F140 PolarHBondContact NH2-O 3.07Å; R33-W141 WeakPolarHBondContact CB-O 3.42Å; R33-W141 PolarHBondContact N-O 3.4Å
34L93.7Very high81.4Confident0 Ų059 Ų590%037%0.365CS..Hα-helixtrans-73.8-32.2-177.8-60.6-178.7000112.8L12 L26 T32 L36 L37 A38 F111 V114 Y118 W141L12-L34 HydrophobicContact CD1-CD2 4.16Å; L26-L34 HydrophobicContact CD2-CB 4.08Å; L26-L34 HydrophobicContact CD2-CD1 4.05Å; T32-L34 VanDerWaalsContact C-N 3.28Å; T32-L34 PolarHBondContact O-N 3.45Å; L34-L36 VanDerWaalsContact C-N 3.31Å; L34-L36 PolarHBondContact O-N 3.38Å; L34-L37 HydrophobicContact CD2-CD1 3.79Å; L34-L37 PolarHBondContact O-N 2.76Å; L34-A38 PolarHBondContact O-N 3.35Å; L34-A38 VanDerWaalsContact O-N 3.12Å; L34-F111 HydrophobicContact CD1-CE2 3.93Å; L34-F111 HydrophobicContact CD1-CZ 4.12Å; L34-F111 HydrophobicContact CD2-CE2 4.39Å; L34-V114 HydrophobicContact CD1-CG1 4.48Å; L34-Y118 HydrophobicContact CB-CE1 4.01Å; L34-Y118 HydrophobicContact CD1-CD2 4.18Å; L34-Y118 HydrophobicContact CD1-CE1 4.45Å; L34-Y118 HydrophobicContact CD1-CE2 3.67Å; L34-Y118 HydrophobicContact CG-CE2 4.47Å; L34-W141 HydrophobicContact CD2-CE3 3.91Å; L34-W141 HydrophobicContact CD2-CZ3 3.62Å; L34-W141 HydrophobicContact CG-CE3 4.12Å; L34-W141 HydrophobicContact CG-CZ3 4.34Å
35A91.2Very high78.5Confident10 Ų1064.3 Ų64.38%0.08339%0.389CS..Hα-helixtrans-64.5-37.5173.800000112L26 L29 T32 L37 A38 S39L26-A35 WeakPolarHBondContact O-CA 3.44Å; L26-A35 WeakPolarHBondContact O-CB 3.33Å; L29-A35 WeakPolarHBondContact O-CB 3.26Å; T32-A35 PolarHBondContact O-N 3.39Å; T32-A35 WeakPolarHBondContact OG1-CB 3.33Å; T32-A35 PolarHBondContact OG1-N 2.94Å; A35-L37 VanDerWaalsContact C-N 3.34Å; A35-L37 PolarHBondContact O-N 2.79Å; A35-A38 WeakPolarHBondContact O-CB 3.28Å; A35-A38 PolarHBondContact O-N 2.93Å; A35-A38 VanDerWaalsContact O-N 3.17Å; A35-S39 PolarHBondContact O-N 2.75Å; A35-S39 VanDerWaalsContact O-N 3.11Å; A35-S39 PolarHBondContact O-OG 3.01Å
36L89.5Confident75.4Confident110 Ų11069.6 Ų69.658%0.57643%0.426SS*.Hα-helixtrans-64.8-35.9175.4-64.9172.5000112.5T32 R33 L34 A38 S39 S40T32-L36 WeakPolarHBondContact O-CG 3.48Å; T32-L36 PolarHBondContact O-N 3.42Å; R33-L36 PolarHBondContact O-N 3.2Å; L34-L36 VanDerWaalsContact C-N 3.31Å; L34-L36 PolarHBondContact O-N 3.38Å; L36-A38 VanDerWaalsContact C-N 3.3Å; L36-S39 WeakPolarHBondContact CA-OG 3.31Å; L36-S39 PolarHBondContact O-N 3.44Å; L36-S39 PolarHBondContact O-OG 3.22Å; L36-S40 PolarHBondContact O-N 3.38Å
37L87.9Confident72.5Confident13 Ų1375.9 Ų75.97%0.06846%0.459CS..Hα-helixtrans-68.3-32.2173.3-64.2165.7000112.2R23 R33 L34 A35 S39 S40 F102 F104R23-L37 PolarHBondContact NH1-O 3.41Å; R33-L37 WeakPolarHBondContact O-CG 3.27Å; R33-L37 PolarHBondContact O-N 3.05Å; L34-L37 HydrophobicContact CD2-CD1 3.79Å; L34-L37 PolarHBondContact O-N 2.76Å; A35-L37 VanDerWaalsContact C-N 3.34Å; A35-L37 PolarHBondContact O-N 2.79Å; L37-S39 VanDerWaalsContact C-N 3.33Å; L37-S40 PolarHBondContact O-OG 2.97Å; L37-F102 HydrophobicContact CD2-CD1 4.19Å; L37-F102 HydrophobicContact CD2-CE1 4.29Å; L37-F104 HydrophobicContact CD1-CE1 4.32Å; L37-F104 HydrophobicContact CD1-CE2 3.85Å; L37-F104 HydrophobicContact CD1-CZ 3.32Å; L37-F104 HydrophobicContact CD2-CZ 4.29Å; L37-F104 HydrophobicContact CG-CZ 4.41Å
38A85.1Confident69.5Low3 Ų377.2 Ų77.23%0.02548%0.475CS..Hα-helixtrans-75.1-25.2179.200000112.5R23 L26 K27 L34 A35 L36R23-A38 PolarHBondContact NH1-O 3.17Å; L26-A38 HydrophobicContact CB-CB 3.68Å; L26-A38 HydrophobicContact CD1-CB 4.49Å; K27-A38 WeakPolarHBondContact CE-O 3.23Å; K27-A38 HydrophobicContact CG-CB 3.76Å; L34-A38 PolarHBondContact O-N 3.35Å; L34-A38 VanDerWaalsContact O-N 3.12Å; A35-A38 WeakPolarHBondContact O-CB 3.28Å; A35-A38 PolarHBondContact O-N 2.93Å; A35-A38 VanDerWaalsContact O-N 3.17Å; L36-A38 VanDerWaalsContact C-N 3.3Å
39S78.4Confident66.6Low74 Ų7480.6 Ų80.652%0.51750%0.496SS..Hα-helixtrans-89.5-17.5178.360.60000114.6A35 L36 L37 E41A35-S39 PolarHBondContact O-N 2.75Å; A35-S39 VanDerWaalsContact O-N 3.11Å; A35-S39 PolarHBondContact O-OG 3.01Å; L36-S39 WeakPolarHBondContact CA-OG 3.31Å; L36-S39 PolarHBondContact O-N 3.44Å; L36-S39 PolarHBondContact O-OG 3.22Å; L37-S39 VanDerWaalsContact C-N 3.33Å; S39-E41 PolarHBondContact O-N 3.21Å
40S70.8Confident63.8Low46 Ų4683.9 Ų83.932%0.32253%0.528SS..SBendtrans-65.8116.9174.662.90000111L36 L37L36-S40 PolarHBondContact O-N 3.38Å; L37-S40 PolarHBondContact O-OG 2.97Å
41E57.1Low61.2Low168 Ų16882.2 Ų82.279%0.78553%0.53SS*.PPolyproline II helixtrans-60.8154.8176.6-72.9-164.5156.100111.9S39S39-E41 PolarHBondContact O-N 3.21Å
42P53.8Low58.7Low77 Ų7786.3 Ų86.350%0.554%0.535SS..PPolyproline II helixtrans-50.8135.7164.3-4.410.8000111G44 R100P42-G44 PolarHBondContact O-N 3.17Å; P42-R100 VanDerWaalsContact CA-NH1 3.33Å
43P45.1Very low56.1Low114 Ų11495.3 Ų95.374%0.7457%0.573SS**  trans-58.6108.5156.5-417.3000106D45P43-D45 PolarHBondContact O-N 3.42Å
44G34.9Very low53.5Low64 Ų6497.6 Ų97.666%0.6659%0.592SS**  trans-59.6134175.300000109.6P42 C46P42-G44 PolarHBondContact O-N 3.17Å; G44-C46 PolarHBondContact O-N 2.8Å
45D32.1Very low50.9Low149 Ų149105.6 Ų105.680%0.79763%0.63SS**  trans-54108.5174.7-69.1-45.4000110.2P43 L47P43-D45 PolarHBondContact O-N 3.42Å; D45-L47 HydrophobicContact CB-CD1 4.4Å; D45-L47 PolarHBondContact O-N 2.88Å
46C28.1Very low48.4Very low136 Ų136110.5 Ų110.592%0.91966%0.661SS**  trans-7277.1160-84.50000108.7G44G44-C46 PolarHBondContact O-N 2.8Å
47L32Very low45.9Very low132 Ų132110.6 Ų110.669%0.69167%0.671SS**  trans-117.1103.3165.4-100.2113.4000110.5D45D45-L47 HydrophobicContact CB-CD1 4.4Å; D45-L47 PolarHBondContact O-N 2.88Å
48T30.4Very low44.1Very low121 Ų121115.6 Ų115.674%0.74270%0.704SS**  trans47.593.9138.659.50000117.6
49T31.3Very low42.6Very low148 Ų148121.1 Ų121.191%0.90874%0.74SS**  trans-107.172.4150.644.30000109.5G51T49-G51 VanDerWaalsContact C-N 3.33Å; T49-G51 PolarHBondContact O-N 3.28Å
50A34.9Very low41Very low103 Ų103123.4 Ų123.485%0.85175%0.752SS**  trans-79.889.115800000107.2
51G34.9Very low39.8Very low73 Ų73129.3 Ų129.375%0.75378%0.78SS**  trans-85.5118.1173.700000110.5T49T49-G51 VanDerWaalsContact C-N 3.33Å; T49-G51 PolarHBondContact O-N 3.28Å
52D34.8Very low39.7Very low159 Ų159126.3 Ų126.385%0.8578%0.777SS**  trans-134108.1164.6-110.5-22.9000108.8
53K39.4Very low39.8Very low200 Ų200128.4 Ų128.487%0.8779%0.791SS**  trans-178.5110141.8-100.6178.2-174.7-164.90110.5
54L37.1Very low40.4Very low150 Ų150128.7 Ų128.779%0.78579%0.793SS**  trans18.6137.6138.6-94.371.2000117.1
55Q40.1Very low41.2Very low167 Ų167131.9 Ų131.978%0.7880%0.802SS**  cis173.7-17214.5-161.1164.925.400105.7
56P39Very low41.5Very low114 Ų114136.5 Ų136.574%0.7481%0.808SS**  -108.5162.9-80.137.7-23.3000115.5
57S36.6Very low42.4Very low112 Ų112134.2 Ų134.278%0.78380%0.799SS**  trans-73.2163.817651.90000116
58P50.5Low43.2Very low117 Ų117133.5 Ų133.576%0.7680%0.802SS**  -150.7-178120.140.3-23.9000114.5
59P53.9Low43.5Very low120 Ų120133.6 Ų133.678%0.77981%0.805SS**  -120.6177-62.537.4-20.8000112.3
60P43.3Very low43.8Very low121 Ų121134.7 Ų134.779%0.78680%0.804SS**  trans-101.5154.4-163.437.5-30.6000114.4
61L46.8Very low44Very low170 Ų170134.9 Ų134.989%0.8980%0.8SS**  trans-145.8112.4166-98.8141.7000113.6
62S54.3Low44.4Very low105 Ų105137.8 Ų137.873%0.73481%0.805SS**  trans61.2127.9147.755.50000122.8
63P57.3Low44.5Very low122 Ų122133.2 Ų133.279%0.79280%0.795SS**  trans-111167.6169.740-29.1000113.8
64P56.9Low44.5Very low120 Ų120130.1 Ų130.178%0.77980%0.796SS**  trans-138.9-177.4146.543.8-28.9000112.3
65P51.5Low44.1Very low130 Ų130126.8 Ų126.884%0.84480%0.797SS**  -110.4165.5-97.322.6-0.3000114.7
66R37.9Very low43.6Very low246 Ų246122 Ų12293%0.92879%0.793SS**  trans-85.6140.2-170.9-152.9178.4-148.9-153.94.1112.8
67A47.4Very low43.2Very low88 Ų88122.6 Ų122.673%0.72780%0.798SS**  trans-111.3155.4161.400000110.1
68P49.3Very low42.8Very low117 Ų117126.3 Ų126.376%0.7680%0.801SS**  trans-84.3162.7-148.133-34.4000115.1
69P36.8Very low41.8Very low124 Ų124128.9 Ų128.981%0.80580%0.803SS**  trans-86.2135.9-169.734-30.6000112.1
70L36.7Very low40.9Very low171 Ų171126.1 Ų126.190%0.89580%0.796SS**  trans-120.3134.5164.9-85.1157.9000109.3
71S40.5Very low40.4Very low107 Ų107123.3 Ų123.375%0.74879%0.789SS**  trans-42.2143.3-166.6-39.20000117.6G73S71-G73 PolarHBondContact O-N 3.18Å
72P42Very low40.2Very low133 Ų133118.3 Ų118.386%0.86477%0.773SS**PPolyproline II helixtrans-80.3116.9171.229.9-25.4000110.7
73G36.3Very low39.7Very low63 Ų63114.1 Ų114.165%0.64975%0.745SS**PPolyproline II helixtrans-72.8153.6163.800000111.1S71 G75S71-G73 PolarHBondContact O-N 3.18Å; G73-G75 PolarHBondContact O-N 2.67Å
74P39.5Very low39Very low135 Ų135114.6 Ų114.688%0.87774%0.741SS**PPolyproline II helixtrans-70.3117.6-165.328.6-32.9000111.1G76P74-G76 PolarHBondContact O-N 3.33Å; P74-G76 VanDerWaalsContact O-N 3.09Å
75G30.4Very low38.4Very low80 Ų80111.8 Ų111.883%0.82572%0.724SS**  trans-65.4102.9165.700000109.5G73 C77G73-G75 PolarHBondContact O-N 2.67Å; G75-C77 PolarHBondContact O-N 3.09Å
76G29.5Very low37.9Very low67 Ų67110.2 Ų110.269%0.69172%0.716SS**  trans-79.7109.1173.300000110.6P74 F78P74-G76 PolarHBondContact O-N 3.33Å; P74-G76 VanDerWaalsContact O-N 3.09Å; G76-F78 PolarHBondContact O-N 3.45Å
77C30.1Very low37.8Very low126 Ų126104 Ų10485%0.85171%0.711SS**  trans-66.5117.8164.3-63.60000109.1G75 E79G75-C77 PolarHBondContact O-N 3.09Å; C77-E79 PolarHBondContact O-N 2.84Å
78F28.1Very low37.1Very low190 Ų190111 Ų11183%0.83372%0.718SS**  trans-83.5102172-111.8-95.8000109.1G76 G80G76-F78 PolarHBondContact O-N 3.45Å; F78-G80 PolarHBondContact O-N 2.82Å
79E29.9Very low36.2Very low172 Ų172109.7 Ų109.780%0.80473%0.726SS**  trans-79.589.7165.8-77-172.3125.500109.3C77C77-E79 PolarHBondContact O-N 2.84Å
80G33.5Very low35.7Very low62 Ų62106.9 Ų106.964%0.63972%0.719SS**  trans-83.5117.2164.100000109.2F78 A82F78-G80 PolarHBondContact O-N 2.82Å; G80-A82 PolarHBondContact O-N 2.96Å
81G33.2Very low35.2Very low62 Ų62110.3 Ų110.364%0.63972%0.721SS**  trans-55.490.5-17900000112.9
82A42.5Very low34.7Very low65 Ų65109.5 Ų109.554%0.53772%0.721SS.*  trans-63.3138.5165.200000108.3G80 N84G80-A82 PolarHBondContact O-N 2.96Å; A82-N84 PolarHBondContact O-N 2.75Å
83G43.5Very low34.3Very low16 Ų16107.7 Ų107.717%0.16571%0.711CS.*  trans-47.2139.5171.600000109.8C85G83-C85 PolarHBondContact O-N 2.79Å
84N43.8Very low34.2Very low132 Ų132112 Ų11271%0.70672%0.719SS**  trans-53.6102.4-178-90.1-7.5000109.4A82 S86A82-N84 PolarHBondContact O-N 2.75Å; N84-S86 PolarHBondContact O-N 2.9Å
85C44.3Very low34.1Very low61 Ų61112.5 Ų112.541%0.41271%0.71SS.*BIsolated β-bridgetrans-62.1110.8163.1-91.90000105.6G83 S87G83-C85 PolarHBondContact O-N 2.79Å; C85-S87 PolarHBondContact O-N 2.74Å
86S40.4Very low34.4Very low98 Ų98115.4 Ų115.469%0.68571%0.714SS**  trans-74.770.4173.4-63.90000109N84 R88N84-S86 PolarHBondContact O-N 2.9Å; S86-R88 PolarHBondContact O-N 2.81Å
87S36.2Very low35.1Very low116 Ų116114.9 Ų114.981%0.81171%0.708SS**  trans-88.254.7167.3-56.60000109C85C85-S87 PolarHBondContact O-N 2.74Å
88R33.4Very low35.9Very low233 Ų233113.2 Ų113.288%0.87971%0.712SS**  trans-105.4110.9174.5-160.4172.5180-178.8-0.6108.9S86 G90S86-R88 PolarHBondContact O-N 2.81Å; R88-G90 PolarHBondContact O-N 2.93Å
89G28.8Very low37.4Very low91 Ų91105.2 Ų105.294%0.93868%0.683SS**  trans-4499.4179.700000113.6
90G27.3Very low39.5Very low64 Ų64100 Ų10066%0.6666%0.656SS**  trans-146.6120.2165.900000105.7R88 A92R88-G90 PolarHBondContact O-N 2.93Å; G90-A92 PolarHBondContact O-N 2.91Å
91R27.2Very low42.1Very low243 Ų243100 Ų10092%0.91764%0.64SS**  trans-5.2115.4-178.9-78176.8178.5171.3-0.9114.4S93R91-S93 VanDerWaalsContact C-N 3.26Å; R91-S93 PolarHBondContact O-N 3.09Å
92A29.9Very low44.8Very low91 Ų9197.2 Ų97.275%0.75261%0.61SS**  trans-45.396.7155.800000108.6G90 D94G90-A92 PolarHBondContact O-N 2.91Å; A92-D94 PolarHBondContact O-N 2.79Å
93S32.7Very low47.3Very low95 Ų9598.1 Ų98.166%0.66460%0.602SS**  trans-69.4107.3155.950.30000104R91 H95R91-S93 VanDerWaalsContact C-N 3.26Å; R91-S93 PolarHBondContact O-N 3.09Å; S93-H95 VanDerWaalsContact C-N 3.28Å; S93-H95 PolarHBondContact O-N 3.33Å
94D34.4Very low49.8Very low153 Ų15398 Ų9882%0.81860%0.597SS**  trans-47.893.4173.2-71.9-46000109.8A92A92-D94 PolarHBondContact O-N 2.79Å
95H38Very low52.3Low146 Ų14698.1 Ų98.168%0.67660%0.598SS**  trans-100.8116.2156.6-85.32.5000105.9S93 G97S93-H95 VanDerWaalsContact C-N 3.28Å; S93-H95 PolarHBondContact O-N 3.33Å; H95-G97 VanDerWaalsContact C-N 3.28Å; H95-G97 PolarHBondContact O-N 3.3Å
96P36.7Very low54.8Low141 Ų14198.6 Ų98.692%0.91659%0.591SS**SBendtrans-71.288.6-178.528.6-30.8000108.4
97G43.6Very low57.4Low55 Ų5597.6 Ų97.657%0.56758%0.575SS**SBendtrans152.571.4-178.600000112.3H95 G99H95-G97 VanDerWaalsContact C-N 3.28Å; H95-G97 PolarHBondContact O-N 3.3Å; G97-G99 VanDerWaalsContact C-N 3.28Å; G97-G99 PolarHBondContact O-N 3.49Å
98G46.9Very low60.3Low91 Ų9193.8 Ų93.894%0.93855%0.548SS*.  trans-66.864-173.700000116.5
99G59.8Low63.3Low22 Ų2284.3 Ų84.323%0.22752%0.523CS..PPolyproline II helixtrans-83.4140.4169.500000111.9G97G97-G99 VanDerWaalsContact C-N 3.28Å; G97-G99 PolarHBondContact O-N 3.49Å
100R73.8Confident66.5Low62 Ų6280 Ų8023%0.23448%0.478CS..PPolyproline II helixtrans-64.9133.8172.8-75.8-177.2-109.4164.70.1110.6I11 P42 F102I11-R100 PolarHBondContact N-O 2.97Å; I11-R100 VanDerWaalsContact N-O 3.09Å; P42-R100 VanDerWaalsContact CA-NH1 3.33Å; R100-F102 HydrophobicContact CB-CE2 4.21Å; R100-F102 HydrophobicContact CB-CZ 4.48Å
101E87.5Confident69.9Low63 Ų6377 Ų7729%0.29445%0.447SS..EExtended strand (participates in β ladder)trans-99.6121.9175.1-174.7172.5-172.300110.3I11 N13 R18I11-E101 HydrophobicContact CB-CB 4.17Å; I11-E101 HydrophobicContact CB-CG 4.29Å; I11-E101 HydrophobicContact CG2-CB 4.31Å; I11-E101 HydrophobicContact CG2-CG 3.92Å; I11-E101 CarbonylContact O-C 3.49Å; I11-E101 VanDerWaalsContact O-CA 3.28Å; I11-E101 WeakPolarHBondContact O-CA 3.4Å; N13-E101 HydrophobicContact CB-CG 3.91Å; N13-E101 VanDerWaalsContact CB-OE1 3.29Å; N13-E101 WeakPolarHBondContact CB-OE1 3.46Å; N13-E101 PolarHBondContact ND2-OE1 2.82Å; R18-E101 IonicContact CZ-OE1 3.14Å; R18-E101 IonicContact NE-OE1 2.74Å; R18-E101 PolarHBondContact NE-OE1 3.42Å; R18-E101 IonicContact NE-OE2 3.91Å; R18-E101 IonicContact NH2-OE1 2.86Å; R18-E101 IonicContact NH2-OE2 3.91Å
102F91.3Very high73.2Confident4 Ų467.5 Ų67.52%0.01842%0.42CS..EExtended strand (participates in β ladder)trans-106.4130.2175.6-63-86.1000110.6V10 I11 L12 N13 L37 R100 F104V10-F102 HydrophobicContact CG1-CD2 3.67Å; V10-F102 HydrophobicContact CG1-CE2 3.69Å; I11-F102 PolarHBondContact O-N 3.25Å; L12-F102 CarbonylContact C-O 3.49Å; L12-F102 HydrophobicContact CD2-CB 4.04Å; L12-F102 HydrophobicContact CD2-CD2 4.07Å; L12-F102 HydrophobicContact CD2-CG 4.44Å; N13-F102 PolarHBondContact N-O 3.45Å; L37-F102 HydrophobicContact CD2-CD1 4.19Å; L37-F102 HydrophobicContact CD2-CE1 4.29Å; R100-F102 HydrophobicContact CB-CE2 4.21Å; R100-F102 HydrophobicContact CB-CZ 4.48Å; F102-F104 HydrophobicContact CB-CE2 3.85Å; F102-F104 HydrophobicContact CB-CZ 4.48Å
103F94Very high76.4Confident83 Ų8367.3 Ų67.336%0.36440%0.401SS..EExtended strand (participates in β ladder)trans-99.4134-178.9178.6-103.7000113.2N13 D105N13-F103 HydrophobicContact CB-CD2 4.2Å; N13-F103 CarbonylContact O-C 3.37Å; N13-F103 VanDerWaalsContact O-CA 3.29Å; N13-F103 WeakPolarHBondContact O-CA 3.41Å; F103-D105 HydrophobicContact CE1-CB 3.99Å; F103-D105 HydrophobicContact CZ-CB 4.12Å
104F95.8Very high79.5Confident14 Ų1462.8 Ų62.86%0.06137%0.369CS..EExtended strand (participates in β ladder)trans-131.4121.6173.3-63.8-83.3000110.6L12 N13 V14 G15 L37 F102 R106 F140 W141L12-F104 HydrophobicContact CD2-CE2 4.28Å; N13-F104 PolarHBondContact O-N 3.12Å; V14-F104 CarbonylContact C-O 3.6Å; V14-F104 VanDerWaalsContact CA-O 3.31Å; V14-F104 WeakPolarHBondContact CA-O 3.11Å; V14-F104 HydrophobicContact CG2-CB 4.3Å; V14-F104 HydrophobicContact CG2-CD2 4.46Å; G15-F104 PolarHBondContact N-O 3.17Å; L37-F104 HydrophobicContact CD1-CE1 4.32Å; L37-F104 HydrophobicContact CD1-CE2 3.85Å; L37-F104 HydrophobicContact CD1-CZ 3.32Å; L37-F104 HydrophobicContact CD2-CZ 4.29Å; L37-F104 HydrophobicContact CG-CZ 4.41Å; F102-F104 HydrophobicContact CB-CE2 3.85Å; F102-F104 HydrophobicContact CB-CZ 4.48Å; F104-R106 HydrophobicContact CB-CG 4.26Å; F104-R106 PolarHBondContact O-N 3.31Å; F104-F140 HydrophobicContact CD1-CE1 4.32Å; F104-F140 HydrophobicContact CD1-CZ 4.26Å; F104-W141 HydrophobicContact CB-CH2 3.73Å; F104-W141 HydrophobicContact CB-CZ2 4.4Å; F104-W141 AromaticContact CD1-CH2 3.82Å; F104-W141 HydrophobicContact CD1-CH2 3.82Å; F104-W141 AromaticContact CD1-CZ3 3.92Å; F104-W141 HydrophobicContact CD1-CZ3 3.92Å; F104-W141 AromaticContact CD2-CH2 3.88Å; F104-W141 HydrophobicContact CD2-CH2 3.88Å; F104-W141 HydrophobicContact CD2-CZ3 4.22Å; F104-W141 HydrophobicContact CE1-CZ3 4.19Å; F104-W141 HydrophobicContact CE2-CZ3 4.46Å; F104-W141 AromaticContact CG-CH2 3.5Å; F104-W141 HydrophobicContact CG-CH2 3.5Å; F104-W141 AromaticContact CG-CZ3 3.98Å; F104-W141 HydrophobicContact CG-CZ3 3.98Å; F104-W141 HydrophobicContact CZ-CZ3 4.49Å
105D96Very high82.4Confident135 Ų13555.6 Ų55.672%0.72233%0.331SS*.  trans-82.468.3176.6-169.422.8000111.3F103F103-D105 HydrophobicContact CE1-CB 3.99Å; F103-D105 HydrophobicContact CZ-CB 4.12Å
106R96.7Very high85.2Confident70 Ų7051.7 Ų51.726%0.26432%0.315SS..SBendtrans-133.1172.6-176.1-56.7-59.2-58.8-174.20111.2V14 G15 F104 P108 E137 F140 W141V14-R106 HydrophobicContact CG1-CB 3.93Å; G15-R106 PolarHBondContact N-O 2.97Å; F104-R106 HydrophobicContact CB-CG 4.26Å; F104-R106 PolarHBondContact O-N 3.31Å; R106-P108 VanDerWaalsContact O-CD 3.23Å; R106-P108 WeakPolarHBondContact O-CD 3.24Å; R106-E137 IonicContact CZ-OE1 3.56Å; R106-E137 VanDerWaalsContact CZ-OE1 3.32Å; R106-E137 IonicContact NE-OE1 3.21Å; R106-E137 PolarHBondContact NE-OE1 3.31Å; R106-E137 IonicContact NE-OE2 2.77Å; R106-E137 PolarHBondContact NE-OE2 2.77Å; R106-E137 IonicContact NH2-OE1 3.82Å; R106-E137 PolarHBondContact NH2-OE1 3.21Å; R106-E137 IonicContact NH2-OE2 2.97Å; R106-F140 HydrophobicContact CG-CD1 3.77Å; R106-F140 HydrophobicContact CG-CE1 3.41Å; R106-F140 VanDerWaalsContact CG-CE1 3.41Å; R106-F140 HydrophobicContact CG-CE2 4.41Å; R106-F140 HydrophobicContact CG-CG 4.44Å; R106-F140 HydrophobicContact CG-CZ 3.76Å; R106-W141 HydrophobicContact CB-CZ2 4.01Å; R106-W141 HydrophobicContact CG-CZ2 3.95Å
107H96.3Very high88.1Confident78 Ų7846 Ų4636%0.36128%0.275SS..  trans-70.5112.7-178.4-169-51.9000112G109 V110 F111H107-G109 PolarHBondContact ND1-N 3.11Å; H107-G109 PolarHBondContact O-N 2.96Å; H107-V110 PolarHBondContact ND1-N 3.34Å; H107-F111 PolarHBondContact O-N 3.39Å
108P96.6Very high90.7Very high35 Ų3543.6 Ų43.623%0.22725%0.249CC..Hα-helixtrans-66.5-37.2-175.822.1-30.8000114V14 T17 R106 V110 F111 A112V14-P108 WeakPolarHBondContact O-CB 3.49Å; T17-P108 HydrophobicContact CG2-CB 4.37Å; T17-P108 WeakPolarHBondContact OG1-CB 3.4Å; R106-P108 VanDerWaalsContact O-CD 3.23Å; R106-P108 WeakPolarHBondContact O-CD 3.24Å; P108-V110 PolarHBondContact O-N 3.38Å; P108-F111 WeakPolarHBondContact O-CB 3.42Å; P108-F111 PolarHBondContact O-N 3.23Å; P108-A112 PolarHBondContact O-N 2.72Å
109G95.8Very high93.1Very high35 Ų3545.6 Ų45.636%0.36123%0.228SC..Hα-helixtrans-57.5-49179.200000113.1H107 A112H107-G109 PolarHBondContact ND1-N 3.11Å; H107-G109 PolarHBondContact O-N 2.96Å; G109-A112 WeakPolarHBondContact O-CB 3.47Å; G109-A112 PolarHBondContact O-N 3.47Å
110V96.4Very high94.8Very high0 Ų048.2 Ų48.20%024%0.24CC..Hα-helixtrans-65.3-39.2174.8173.20000111.8H107 P108 A112 Y113 V114 V129 F134 E137H107-V110 PolarHBondContact ND1-N 3.34Å; P108-V110 PolarHBondContact O-N 3.38Å; V110-A112 PolarHBondContact O-N 2.85Å; V110-A112 VanDerWaalsContact O-N 3.16Å; V110-Y113 WeakPolarHBondContact O-CB 3.44Å; V110-Y113 PolarHBondContact O-N 3.35Å; V110-V114 HydrophobicContact CG1-CG2 4.37Å; V110-V114 PolarHBondContact O-N 3.09Å; V110-V129 HydrophobicContact CG2-CG1 4.2Å; V110-V129 HydrophobicContact CG2-CG2 4.41Å; V110-F134 HydrophobicContact CG1-CD2 3.47Å; V110-F134 VanDerWaalsContact CG1-CD2 3.47Å; V110-F134 HydrophobicContact CG1-CE2 3.73Å; V110-E137 HydrophobicContact CB-CB 4.44Å; V110-E137 HydrophobicContact CB-CG 4.11Å; V110-E137 HydrophobicContact CG1-CB 3.56Å; V110-E137 HydrophobicContact CG1-CG 3.77Å; V110-E137 HydrophobicContact CG2-CG 4.39Å
111F97.6Very high95.9Very high0 Ų047.6 Ų47.60%025%0.253CS..Hα-helixtrans-59.4-28.9179.4-176.4-102.4000113.4L12 V14 H19 L34 H107 P108 Y113 V114 L115 W141L12-F111 HydrophobicContact CB-CE1 4.28Å; L12-F111 HydrophobicContact CB-CZ 4.3Å; L12-F111 HydrophobicContact CD1-CE1 4.21Å; L12-F111 HydrophobicContact CD1-CZ 3.64Å; V14-F111 HydrophobicContact CB-CB 4.35Å; V14-F111 HydrophobicContact CB-CD1 4.09Å; V14-F111 HydrophobicContact CB-CG 4.16Å; V14-F111 HydrophobicContact CG1-CB 3.9Å; V14-F111 HydrophobicContact CG1-CD1 4.49Å; V14-F111 HydrophobicContact CG1-CG 4.07Å; V14-F111 HydrophobicContact CG2-CB 4.39Å; V14-F111 HydrophobicContact CG2-CD1 3.47Å; V14-F111 VanDerWaalsContact CG2-CD1 3.47Å; V14-F111 HydrophobicContact CG2-CD2 4.05Å; V14-F111 HydrophobicContact CG2-CE1 3.65Å; V14-F111 HydrophobicContact CG2-CE2 4.19Å; V14-F111 HydrophobicContact CG2-CG 3.68Å; V14-F111 HydrophobicContact CG2-CZ 4.01Å; H19-F111 HydrophobicContact CB-CD1 4.33Å; H19-F111 HydrophobicContact CB-CE1 3.85Å; H19-F111 AromaticContact CD2-CD1 3.57Å; H19-F111 AromaticContact CD2-CE1 3.92Å; H19-F111 AromaticContact CE1-CD1 3.84Å; H19-F111 AromaticContact CG-CD1 3.68Å; H19-F111 AromaticContact CG-CE1 3.72Å; H19-F111 AromaticContact ND1-CD1 3.84Å; H19-F111 AromaticContact NE2-CD1 3.7Å; L34-F111 HydrophobicContact CD1-CE2 3.93Å; L34-F111 HydrophobicContact CD1-CZ 4.12Å; L34-F111 HydrophobicContact CD2-CE2 4.39Å; H107-F111 PolarHBondContact O-N 3.39Å; P108-F111 WeakPolarHBondContact O-CB 3.42Å; P108-F111 PolarHBondContact O-N 3.23Å; F111-Y113 PolarHBondContact O-N 3.34Å; F111-V114 HydrophobicContact CD2-CB 4.16Å; F111-V114 HydrophobicContact CD2-CG1 4.06Å; F111-V114 HydrophobicContact CE2-CG1 4.12Å; F111-V114 WeakPolarHBondContact O-CB 3.02Å; F111-V114 PolarHBondContact O-N 2.94Å; F111-L115 HydrophobicContact CE1-CB 4.14Å; F111-L115 HydrophobicContact CE1-CD2 4.19Å; F111-L115 HydrophobicContact CZ-CB 4.33Å; F111-L115 WeakPolarHBondContact O-CB 3.47Å; F111-L115 PolarHBondContact O-N 2.97Å; F111-W141 HydrophobicContact CD2-CD2 4.13Å; F111-W141 AromaticContact CD2-CE2 3.49Å; F111-W141 VanDerWaalsContact CD2-CE2 3.49Å; F111-W141 AromaticContact CD2-CH2 3.71Å; F111-W141 HydrophobicContact CD2-CH2 3.71Å; F111-W141 AromaticContact CD2-CZ2 3.27Å; F111-W141 HydrophobicContact CD2-CZ2 3.27Å; F111-W141 HydrophobicContact CD2-CZ3 4.32Å; F111-W141 AromaticContact CD2-NE1 3.94Å; F111-W141 HydrophobicContact CE2-CD2 4.18Å; F111-W141 AromaticContact CE2-CE2 3.94Å; F111-W141 HydrophobicContact CE2-CE3 4.13Å; F111-W141 AromaticContact CE2-CH2 3.57Å; F111-W141 HydrophobicContact CE2-CH2 3.57Å; F111-W141 AromaticContact CE2-CZ2 3.65Å; F111-W141 HydrophobicContact CE2-CZ2 3.65Å; F111-W141 AromaticContact CE2-CZ3 3.85Å; F111-W141 HydrophobicContact CE2-CZ3 3.85Å; F111-W141 HydrophobicContact CG-CZ2 4.19Å
112A97.1Very high96.3Very high44 Ų4450 Ų5036%0.36426%0.263SS..Hα-helixtrans-57.4-38.4172.800000112.5P108 G109 V110 N116P108-A112 PolarHBondContact O-N 2.72Å; G109-A112 WeakPolarHBondContact O-CB 3.47Å; G109-A112 PolarHBondContact O-N 3.47Å; V110-A112 PolarHBondContact O-N 2.85Å; V110-A112 VanDerWaalsContact O-N 3.16Å; A112-N116 VanDerWaalsContact O-CB 3.31Å; A112-N116 WeakPolarHBondContact O-CB 3.34Å; A112-N116 PolarHBondContact O-N 3.1Å
113Y97Very high96.6Very high88 Ų8849.9 Ų49.935%0.34526%0.262SS..Hα-helixtrans-74.4-41.6177.3-71.2-101.7000111.9V110 F111 L115 N116 Y117 P126V110-Y113 WeakPolarHBondContact O-CB 3.44Å; V110-Y113 PolarHBondContact O-N 3.35Å; F111-Y113 PolarHBondContact O-N 3.34Å; Y113-L115 VanDerWaalsContact C-N 3.35Å; Y113-L115 PolarHBondContact O-N 2.83Å; Y113-N116 WeakPolarHBondContact O-CB 3.44Å; Y113-N116 PolarHBondContact O-N 3.12Å; Y113-Y117 PolarHBondContact O-N 3.49Å; Y113-P126 HydrophobicContact CD1-CB 4.24Å; Y113-P126 HydrophobicContact CD1-CG 4.22Å; Y113-P126 HydrophobicContact CD2-CB 3.97Å; Y113-P126 HydrophobicContact CD2-CG 3.93Å; Y113-P126 HydrophobicContact CE1-CB 3.96Å; Y113-P126 HydrophobicContact CE1-CG 4.44Å; Y113-P126 HydrophobicContact CE2-CB 3.69Å; Y113-P126 HydrophobicContact CE2-CG 4.19Å; Y113-P126 HydrophobicContact CG-CB 4.26Å; Y113-P126 HydrophobicContact CG-CG 3.97Å
114V97.2Very high96.8Very high0 Ų049.1 Ų49.10%026%0.26CS..Hα-helixtrans-53.8-52.7171.5171.30000109.6L34 V110 F111 N116 Y117 Y118 L138 W141 I143L34-V114 HydrophobicContact CD1-CG1 4.48Å; V110-V114 HydrophobicContact CG1-CG2 4.37Å; V110-V114 PolarHBondContact O-N 3.09Å; F111-V114 HydrophobicContact CD2-CB 4.16Å; F111-V114 HydrophobicContact CD2-CG1 4.06Å; F111-V114 HydrophobicContact CE2-CG1 4.12Å; F111-V114 WeakPolarHBondContact O-CB 3.02Å; F111-V114 PolarHBondContact O-N 2.94Å; V114-N116 VanDerWaalsContact C-N 3.32Å; V114-N116 PolarHBondContact O-N 2.86Å; V114-Y117 VanDerWaalsContact O-CB 3.32Å; V114-Y117 WeakPolarHBondContact O-CB 3.37Å; V114-Y117 PolarHBondContact O-N 2.7Å; V114-Y117 VanDerWaalsContact O-N 3.15Å; V114-Y118 HydrophobicContact CG1-CE2 4.32Å; V114-Y118 VanDerWaalsContact O-CD2 3.3Å; V114-Y118 WeakPolarHBondContact O-CD2 3.33Å; V114-Y118 PolarHBondContact O-N 2.82Å; V114-L138 HydrophobicContact CG2-CD2 4.31Å; V114-W141 HydrophobicContact CG1-CB 4.14Å; V114-W141 HydrophobicContact CG1-CD2 4.3Å; V114-W141 HydrophobicContact CG1-CG 3.86Å; V114-W141 HydrophobicContact CG2-CG 4.39Å; V114-I143 HydrophobicContact CB-CD1 4.3Å; V114-I143 HydrophobicContact CG1-CD1 3.56Å; V114-I143 HydrophobicContact CG2-CD1 4.37Å
115L97.1Very high96.8Very high1 Ų149.3 Ų49.31%0.00526%0.263CS..Hα-helixtrans-67.2-33.2179.9-174.561.4000112.5H19 T21 L26 F111 Y113 Y117 Y118 R119H19-L115 HydrophobicContact CB-CD2 3.86Å; T21-L115 HydrophobicContact CG2-CD1 4.08Å; L26-L115 HydrophobicContact CD2-CD1 3.97Å; F111-L115 HydrophobicContact CE1-CB 4.14Å; F111-L115 HydrophobicContact CE1-CD2 4.19Å; F111-L115 HydrophobicContact CZ-CB 4.33Å; F111-L115 WeakPolarHBondContact O-CB 3.47Å; F111-L115 PolarHBondContact O-N 2.97Å; Y113-L115 VanDerWaalsContact C-N 3.35Å; Y113-L115 PolarHBondContact O-N 2.83Å; L115-Y117 VanDerWaalsContact C-N 3.26Å; L115-Y117 PolarHBondContact O-N 2.73Å; L115-Y118 PolarHBondContact O-N 3.09Å; L115-R119 WeakPolarHBondContact O-CG 3.33Å; L115-R119 PolarHBondContact O-N 3.03Å; L115-R119 VanDerWaalsContact O-N 3.16Å
116N96.8Very high96.8Very high64 Ų6443 Ų4334%0.34223%0.229SC..Hα-helixtrans-63.5-33.3174-170.161.7000112.2A112 Y113 V114 R119 T120A112-N116 VanDerWaalsContact O-CB 3.31Å; A112-N116 WeakPolarHBondContact O-CB 3.34Å; A112-N116 PolarHBondContact O-N 3.1Å; Y113-N116 WeakPolarHBondContact O-CB 3.44Å; Y113-N116 PolarHBondContact O-N 3.12Å; V114-N116 VanDerWaalsContact C-N 3.32Å; V114-N116 PolarHBondContact O-N 2.86Å; N116-R119 PolarHBondContact O-N 3.35Å; N116-R119 VanDerWaalsContact O-N 3.17Å; N116-T120 WeakPolarHBondContact O-CB 3.43Å; N116-T120 WeakPolarHBondContact O-CG2 3.49Å; N116-T120 PolarHBondContact O-N 2.85Å; N116-T120 PolarHBondContact O-OG1 3.46Å
117Y97.6Very high96.7Very high21 Ų2144.7 Ų44.78%0.08226%0.258CS..Hα-helixtrans-61.1-45173.1175.3-134000111.7L29 Y113 V114 L115 R119 T120 G121 K122 L123 I143 D147L29-Y117 HydrophobicContact CD1-CD1 3.39Å; L29-Y117 HydrophobicContact CD1-CE1 3.23Å; L29-Y117 HydrophobicContact CD1-CE2 4.47Å; L29-Y117 HydrophobicContact CD1-CG 4.1Å; L29-Y117 HydrophobicContact CD2-CE1 4.17Å; L29-Y117 HydrophobicContact CG-CE1 4.33Å; Y113-Y117 PolarHBondContact O-N 3.49Å; V114-Y117 VanDerWaalsContact O-CB 3.32Å; V114-Y117 WeakPolarHBondContact O-CB 3.37Å; V114-Y117 PolarHBondContact O-N 2.7Å; V114-Y117 VanDerWaalsContact O-N 3.15Å; L115-Y117 VanDerWaalsContact C-N 3.26Å; L115-Y117 PolarHBondContact O-N 2.73Å; Y117-R119 VanDerWaalsContact C-N 3.26Å; Y117-R119 PolarHBondContact O-N 3.48Å; Y117-T120 PolarHBondContact O-N 3.22Å; Y117-G121 WeakPolarHBondContact CE2-O 3.21Å; Y117-G121 VanDerWaalsContact O-CA 3.29Å; Y117-G121 WeakPolarHBondContact O-CA 3.35Å; Y117-G121 PolarHBondContact O-N 2.78Å; Y117-K122 VanDerWaalsContact CD2-C 3.42Å; Y117-L123 HydrophobicContact CD1-CB 4.37Å; Y117-L123 HydrophobicContact CD1-CD1 4.16Å; Y117-L123 HydrophobicContact CD2-CB 3.68Å; Y117-L123 HydrophobicContact CE2-CB 4Å; Y117-L123 HydrophobicContact CG-CB 3.88Å; Y117-L123 HydrophobicContact CG-CD1 3.94Å; Y117-L123 HydrophobicContact CG-CG 4.45Å; Y117-I143 HydrophobicContact CD1-CD1 4.09Å; Y117-I143 HydrophobicContact CD1-CG1 4.48Å; Y117-I143 HydrophobicContact CD1-CG2 4.05Å; Y117-I143 HydrophobicContact CE1-CG2 3.82Å; Y117-D147 PolarHBondContact OH-OD2 3.24Å; Y117-D147 VanDerWaalsContact OH-OD2 3.07Å
118Y96.8Very high96.6Very high6 Ų647 Ų472%0.02427%0.273CS..Hα-helixtrans-62-33173.7-73.8-102.6000113.3T25 L26 T28 L29 T32 L34 V114 L115 I143T25-Y118 WeakPolarHBondContact O-CD1 3.47Å; L26-Y118 HydrophobicContact CD2-CD1 4.41Å; L26-Y118 WeakPolarHBondContact O-CE1 3.34Å; T28-Y118 PolarHBondContact OG1-O 3.28Å; L29-Y118 HydrophobicContact CB-CD1 4.05Å; L29-Y118 HydrophobicContact CB-CE1 3.69Å; L29-Y118 HydrophobicContact CD1-CD1 3.82Å; L29-Y118 HydrophobicContact CD1-CD2 3.93Å; L29-Y118 HydrophobicContact CD1-CE1 3.91Å; L29-Y118 HydrophobicContact CD1-CE2 3.95Å; L29-Y118 HydrophobicContact CD1-CG 3.84Å; L29-Y118 HydrophobicContact CG-CD1 4.11Å; L29-Y118 HydrophobicContact CG-CE1 4.2Å; T32-Y118 WeakPolarHBondContact CB-OH 3.39Å; T32-Y118 WeakPolarHBondContact CG2-OH 3.09Å; T32-Y118 PolarHBondContact OG1-OH 3.16Å; L34-Y118 HydrophobicContact CB-CE1 4.01Å; L34-Y118 HydrophobicContact CD1-CD2 4.18Å; L34-Y118 HydrophobicContact CD1-CE1 4.45Å; L34-Y118 HydrophobicContact CD1-CE2 3.67Å; L34-Y118 HydrophobicContact CG-CE2 4.47Å; V114-Y118 HydrophobicContact CG1-CE2 4.32Å; V114-Y118 VanDerWaalsContact O-CD2 3.3Å; V114-Y118 WeakPolarHBondContact O-CD2 3.33Å; V114-Y118 PolarHBondContact O-N 2.82Å; L115-Y118 PolarHBondContact O-N 3.09Å; Y118-I143 HydrophobicContact CE2-CD1 4.14Å
119R97Very high96.5Very high132 Ų13246.7 Ų46.750%0.49827%0.27SS..Hα-helixtrans-76.6-36.5-178.6-71.8169.9174.6173.5-3.8113.1E20 T25 L115 N116 Y117E20-R119 PolarHBondContact O-NH2 3.26Å; T25-R119 HydrophobicContact CG2-CB 4.48Å; T25-R119 HydrophobicContact CG2-CG 3.74Å; L115-R119 WeakPolarHBondContact O-CG 3.33Å; L115-R119 PolarHBondContact O-N 3.03Å; L115-R119 VanDerWaalsContact O-N 3.16Å; N116-R119 PolarHBondContact O-N 3.35Å; N116-R119 VanDerWaalsContact O-N 3.17Å; Y117-R119 VanDerWaalsContact C-N 3.26Å; Y117-R119 PolarHBondContact O-N 3.48Å
120T96.7Very high96.5Very high77 Ų7749.6 Ų49.647%0.47228%0.284SS..Hα-helixtrans-111.6-21.3-169.261.30000114.1N116 Y117 K122N116-T120 WeakPolarHBondContact O-CB 3.43Å; N116-T120 WeakPolarHBondContact O-CG2 3.49Å; N116-T120 PolarHBondContact O-N 2.85Å; N116-T120 PolarHBondContact O-OG1 3.46Å; Y117-T120 PolarHBondContact O-N 3.22Å; T120-K122 VanDerWaalsContact C-N 3.28Å; T120-K122 PolarHBondContact OG1-N 3.42Å; T120-K122 PolarHBondContact OG1-O 3.38Å
121G95.9Very high96.4Very high50 Ų5050 Ų5052%0.51529%0.289SS..SBendtrans776.3-171.500000114.8Y117Y117-G121 WeakPolarHBondContact CE2-O 3.21Å; Y117-G121 VanDerWaalsContact O-CA 3.29Å; Y117-G121 WeakPolarHBondContact O-CA 3.35Å; Y117-G121 PolarHBondContact O-N 2.78Å
122K97.2Very high96.3Very high114 Ų11452 Ų5250%0.49630%0.301SS..  trans-123.8126.3-179.7-59.8-173.4-179.6-177.20111.8Y117 T120 E149Y117-K122 VanDerWaalsContact CD2-C 3.42Å; T120-K122 VanDerWaalsContact C-N 3.28Å; T120-K122 PolarHBondContact OG1-N 3.42Å; T120-K122 PolarHBondContact OG1-O 3.38Å; K122-E149 HydrophobicContact CB-CG 4.11Å; K122-E149 WeakPolarHBondContact CG-OE1 3.19Å
123L97.6Very high96.2Very high1 Ų153 Ų531%0.00530%0.3CS..BIsolated β-bridgetrans-97.9119.6-178-175.865000110.1Y117 F134 L138 I143 D147 V148 E149Y117-L123 HydrophobicContact CD1-CB 4.37Å; Y117-L123 HydrophobicContact CD1-CD1 4.16Å; Y117-L123 HydrophobicContact CD2-CB 3.68Å; Y117-L123 HydrophobicContact CE2-CB 4Å; Y117-L123 HydrophobicContact CG-CB 3.88Å; Y117-L123 HydrophobicContact CG-CD1 3.94Å; Y117-L123 HydrophobicContact CG-CG 4.45Å; L123-F134 HydrophobicContact CD1-CZ 4.11Å; L123-L138 HydrophobicContact CD1-CD2 4.12Å; L123-L138 HydrophobicContact CD2-CD1 4.06Å; L123-L138 HydrophobicContact CD2-CD2 4.14Å; L123-I143 HydrophobicContact CD2-CG2 3.79Å; L123-D147 HydrophobicContact CD2-CB 4.14Å; L123-V148 HydrophobicContact CD2-CG2 3.65Å; L123-V148 HydrophobicContact CG-CG2 4Å; L123-V148 WeakPolarHBondContact O-CA 3.28Å; L123-E149 WeakPolarHBondContact O-CG 3.36Å; L123-E149 PolarHBondContact O-N 3.4Å
124H97.5Very high96.2Very high67 Ų6748.8 Ų48.831%0.3128%0.284SS..  trans-116.1144177.4-71-73000110.8C151H124-C151 VanDerWaalsContact CE1-SG 3.54Å
125C96.2Very high96.1Very high18 Ų1851 Ų5112%0.12229%0.294CS..  trans-79.4126.9174.5-171.50000110.2F134 C152C125-F134 HydrophobicContact CB-CD1 4.37Å; C125-F134 HydrophobicContact CB-CE1 4.3Å; C125-C152 HydrophobicContact CB-CB 3.74Å
126P95.9Very high96.1Very high3 Ų357.1 Ų57.12%0.01932%0.323CS..  trans-60.2134.91678.2-9.9000111Y113 D128 V129 F134Y113-P126 HydrophobicContact CD1-CB 4.24Å; Y113-P126 HydrophobicContact CD1-CG 4.22Å; Y113-P126 HydrophobicContact CD2-CB 3.97Å; Y113-P126 HydrophobicContact CD2-CG 3.93Å; Y113-P126 HydrophobicContact CE1-CB 3.96Å; Y113-P126 HydrophobicContact CE1-CG 4.44Å; Y113-P126 HydrophobicContact CE2-CB 3.69Å; Y113-P126 HydrophobicContact CE2-CG 4.19Å; Y113-P126 HydrophobicContact CG-CB 4.26Å; Y113-P126 HydrophobicContact CG-CG 3.97Å; P126-D128 WeakPolarHBondContact CB-OD1 3.43Å; P126-V129 HydrophobicContact CB-CG2 3.87Å; P126-V129 HydrophobicContact CG-CG2 3.59Å; P126-F134 VanDerWaalsContact CD-CE2 3.5Å; P126-F134 HydrophobicContact CG-CD2 3.78Å; P126-F134 HydrophobicContact CG-CE2 3.92Å; P126-F134 HydrophobicContact CG-CG 4.36Å
127A94.1Very high96.1Very high105 Ų10554.6 Ų54.687%0.86831%0.309SS*.THydrogen-bonded Turntrans-86.3-9.7-178.200000113.5
128D94.9Very high96Very high127 Ų12753.6 Ų53.668%0.67931%0.305SS*.THydrogen-bonded Turntrans-93.4-4-178.560.9-45.2000113.4P126P126-D128 WeakPolarHBondContact CB-OD1 3.43Å
129V95.3Very high96Very high28 Ų2856.8 Ų56.817%0.1733%0.333CS..SBendtrans-123.6155.9177.8-54.30000111.6V110 P126 L133 F134V110-V129 HydrophobicContact CG2-CG1 4.2Å; V110-V129 HydrophobicContact CG2-CG2 4.41Å; P126-V129 HydrophobicContact CB-CG2 3.87Å; P126-V129 HydrophobicContact CG-CG2 3.59Å; V129-L133 HydrophobicContact CB-CD2 4.21Å; V129-L133 HydrophobicContact CG1-CD2 4.41Å; V129-F134 HydrophobicContact CG2-CB 4.23Å
130C94.7Very high96Very high95 Ų9552.8 Ų52.864%0.64232%0.319SS*.  trans-72.9143175-57.10000111L133 F134C130-L133 WeakPolarHBondContact O-CB 3.41Å; C130-L133 PolarHBondContact O-N 3.06Å; C130-F134 PolarHBondContact O-N 3.25Å
131G94.6Very high96Very high10 Ų1049.1 Ų49.110%0.10330%0.296CS..Hα-helixtrans-46.9-50.2176.200000114.3L133 F134 E135G131-L133 VanDerWaalsContact C-N 3.3Å; G131-L133 PolarHBondContact O-N 2.85Å; G131-F134 WeakPolarHBondContact O-CB 3.17Å; G131-F134 PolarHBondContact O-N 3.11Å; G131-E135 PolarHBondContact O-N 3.4Å
132P94.7Very high95.9Very high41 Ų4148.9 Ų48.927%0.26629%0.294SS..Hα-helixtrans-60.1-33.3178.8-27.335.6000114.7E136 H159P132-E136 WeakPolarHBondContact O-CG 3.35Å; P132-E136 PolarHBondContact O-N 2.78Å; P132-H159 HydrophobicContact CG-CB 4.14Å
133L96.1Very high95.9Very high64 Ų6444 Ų4434%0.33527%0.273SS..Hα-helixtrans-68.2-40.8175.6175.563.5000110.7V129 C130 G131 E137V129-L133 HydrophobicContact CB-CD2 4.21Å; V129-L133 HydrophobicContact CG1-CD2 4.41Å; C130-L133 WeakPolarHBondContact O-CB 3.41Å; C130-L133 PolarHBondContact O-N 3.06Å; G131-L133 VanDerWaalsContact C-N 3.3Å; G131-L133 PolarHBondContact O-N 2.85Å; L133-E137 PolarHBondContact O-N 2.95Å
134F96.8Very high95.7Very high0 Ų048.2 Ų48.20%030%0.296CS..Hα-helixtrans-66.6-42.4177-171.9-122.9000111.4V110 L123 C125 P126 V129 C130 G131 E136 E137 L138 V148 Y156V110-F134 HydrophobicContact CG1-CD2 3.47Å; V110-F134 VanDerWaalsContact CG1-CD2 3.47Å; V110-F134 HydrophobicContact CG1-CE2 3.73Å; L123-F134 HydrophobicContact CD1-CZ 4.11Å; C125-F134 HydrophobicContact CB-CD1 4.37Å; C125-F134 HydrophobicContact CB-CE1 4.3Å; P126-F134 VanDerWaalsContact CD-CE2 3.5Å; P126-F134 HydrophobicContact CG-CD2 3.78Å; P126-F134 HydrophobicContact CG-CE2 3.92Å; P126-F134 HydrophobicContact CG-CG 4.36Å; V129-F134 HydrophobicContact CG2-CB 4.23Å; C130-F134 PolarHBondContact O-N 3.25Å; G131-F134 WeakPolarHBondContact O-CB 3.17Å; G131-F134 PolarHBondContact O-N 3.11Å; F134-E136 PolarHBondContact O-N 3.27Å; F134-E137 PolarHBondContact O-N 3.21Å; F134-L138 HydrophobicContact CD1-CD1 3.91Å; F134-L138 HydrophobicContact CD1-CG 4.3Å; F134-L138 HydrophobicContact CE1-CD1 3.62Å; F134-L138 HydrophobicContact CE1-CD2 4.24Å; F134-L138 HydrophobicContact CE1-CG 4.07Å; F134-L138 HydrophobicContact CE2-CD2 4.1Å; F134-L138 HydrophobicContact CE2-CG 4.33Å; F134-L138 HydrophobicContact CZ-CD1 4.08Å; F134-L138 HydrophobicContact CZ-CD2 3.81Å; F134-L138 HydrophobicContact CZ-CG 4.09Å; F134-L138 WeakPolarHBondContact O-CG 3.22Å; F134-L138 PolarHBondContact O-N 3.28Å; F134-V148 HydrophobicContact CE1-CG2 4.34Å; F134-Y156 HydrophobicContact CB-CE2 4.39Å; F134-Y156 AromaticContact CD1-CD2 3.77Å; F134-Y156 HydrophobicContact CD1-CD2 3.77Å; F134-Y156 AromaticContact CD1-CE2 3.7Å; F134-Y156 HydrophobicContact CD1-CE2 3.7Å; F134-Y156 HydrophobicContact CG-CE2 4.5Å
135E95.7Very high95.6Very high47 Ų4747.1 Ų47.122%0.2229%0.29CS..Hα-helixtrans-55.1-48.8174.3-177.7178164.100112G131 E137 L138 A139 Y156 R160G131-E135 PolarHBondContact O-N 3.4Å; E135-E137 VanDerWaalsContact C-N 3.31Å; E135-E137 PolarHBondContact O-N 3.3Å; E135-L138 PolarHBondContact O-N 3.24Å; E135-A139 WeakPolarHBondContact O-CB 3.27Å; E135-A139 PolarHBondContact O-N 3.26Å; E135-Y156 WeakPolarHBondContact CA-OH 3.47Å; E135-Y156 HydrophobicContact CB-CE2 4.07Å; E135-Y156 VanDerWaalsContact CB-OH 3.22Å; E135-Y156 WeakPolarHBondContact CB-OH 3.45Å; E135-Y156 WeakPolarHBondContact CG-OH 3.47Å; E135-R160 VanDerWaalsContact CD-NH1 3.34Å; E135-R160 IonicContact OE1-CZ 3.83Å; E135-R160 VanDerWaalsContact OE1-CZ 3.26Å; E135-R160 IonicContact OE1-NE 2.7Å; E135-R160 IonicContact OE1-NH1 3.15Å; E135-R160 PolarHBondContact OE1-NH1 3.29Å; E135-R160 WeakPolarHBondContact OE2-CD 3.44Å; E135-R160 IonicContact OE2-NH1 2.87Å
136E95.9Very high95.5Very high130 Ų13050.2 Ų50.261%0.60731%0.309SS*.Hα-helixtrans-61.5-37177.1-75.9-177.7-175.800112.7P132 F134 F140P132-E136 WeakPolarHBondContact O-CG 3.35Å; P132-E136 PolarHBondContact O-N 2.78Å; F134-E136 PolarHBondContact O-N 3.27Å; E136-F140 PolarHBondContact O-N 3.49Å; E136-F140 VanDerWaalsContact O-N 3.13Å
137E97Very high95.5Very high10 Ų1053.2 Ų53.25%0.04733%0.325CS..Hα-helixtrans-69.6-45.7175.2-73.6-62.8132.800112R106 V110 L133 F134 E135 A139 F140 W141R106-E137 IonicContact CZ-OE1 3.56Å; R106-E137 VanDerWaalsContact CZ-OE1 3.32Å; R106-E137 IonicContact NE-OE1 3.21Å; R106-E137 PolarHBondContact NE-OE1 3.31Å; R106-E137 IonicContact NE-OE2 2.77Å; R106-E137 PolarHBondContact NE-OE2 2.77Å; R106-E137 IonicContact NH2-OE1 3.82Å; R106-E137 PolarHBondContact NH2-OE1 3.21Å; R106-E137 IonicContact NH2-OE2 2.97Å; V110-E137 HydrophobicContact CB-CB 4.44Å; V110-E137 HydrophobicContact CB-CG 4.11Å; V110-E137 HydrophobicContact CG1-CB 3.56Å; V110-E137 HydrophobicContact CG1-CG 3.77Å; V110-E137 HydrophobicContact CG2-CG 4.39Å; L133-E137 PolarHBondContact O-N 2.95Å; F134-E137 PolarHBondContact O-N 3.21Å; E135-E137 VanDerWaalsContact C-N 3.31Å; E135-E137 PolarHBondContact O-N 3.3Å; E137-A139 VanDerWaalsContact C-N 3.3Å; E137-A139 PolarHBondContact O-N 3.47Å; E137-F140 WeakPolarHBondContact O-CB 3.49Å; E137-F140 PolarHBondContact O-N 3.49Å; E137-F140 VanDerWaalsContact O-N 3.11Å; E137-W141 PolarHBondContact O-N 3.43Å; E137-W141 PolarHBondContact OE2-NE1 3Å
138L96.5Very high95.6Very high1 Ų148.6 Ų48.61%0.00529%0.286CS..Hα-helixtrans-58.2-44.4176.4-67.5-178.9000111.5V114 L123 F134 E135 F140 W141 G142 I143 E145 V148V114-L138 HydrophobicContact CG2-CD2 4.31Å; L123-L138 HydrophobicContact CD1-CD2 4.12Å; L123-L138 HydrophobicContact CD2-CD1 4.06Å; L123-L138 HydrophobicContact CD2-CD2 4.14Å; F134-L138 HydrophobicContact CD1-CD1 3.91Å; F134-L138 HydrophobicContact CD1-CG 4.3Å; F134-L138 HydrophobicContact CE1-CD1 3.62Å; F134-L138 HydrophobicContact CE1-CD2 4.24Å; F134-L138 HydrophobicContact CE1-CG 4.07Å; F134-L138 HydrophobicContact CE2-CD2 4.1Å; F134-L138 HydrophobicContact CE2-CG 4.33Å; F134-L138 HydrophobicContact CZ-CD1 4.08Å; F134-L138 HydrophobicContact CZ-CD2 3.81Å; F134-L138 HydrophobicContact CZ-CG 4.09Å; F134-L138 WeakPolarHBondContact O-CG 3.22Å; F134-L138 PolarHBondContact O-N 3.28Å; E135-L138 PolarHBondContact O-N 3.24Å; L138-F140 VanDerWaalsContact C-N 3.3Å; L138-F140 PolarHBondContact O-N 3.38Å; L138-W141 PolarHBondContact O-N 2.72Å; L138-W141 VanDerWaalsContact O-N 3.16Å; L138-G142 PolarHBondContact O-N 2.71Å; L138-I143 HydrophobicContact CB-CB 4.47Å; L138-I143 HydrophobicContact CD2-CB 4.1Å; L138-I143 HydrophobicContact CD2-CD1 4.16Å; L138-I143 HydrophobicContact CD2-CG2 4.04Å; L138-I143 PolarHBondContact O-N 3.28Å; L138-E145 HydrophobicContact CD1-CB 4.5Å; L138-V148 HydrophobicContact CD1-CG2 4.39Å
139A96.1Very high95.7Very high73 Ų7345.3 Ų45.360%0.60327%0.267SS*.Hα-helixtrans-59.2-40.1175.600000112E135 E137 G142E135-A139 WeakPolarHBondContact O-CB 3.27Å; E135-A139 PolarHBondContact O-N 3.26Å; E137-A139 VanDerWaalsContact C-N 3.3Å; E137-A139 PolarHBondContact O-N 3.47Å; A139-G142 PolarHBondContact O-N 3.07Å
140F96.4Very high95.7Very high47 Ų4749 Ų4921%0.20629%0.291CS..Hα-helixtrans-64.1-42.9175.1173-91.4000112.6R33 F104 R106 E136 E137 L138 G142R33-F140 PolarHBondContact NE-O 3.46Å; R33-F140 PolarHBondContact NH2-O 3.07Å; F104-F140 HydrophobicContact CD1-CE1 4.32Å; F104-F140 HydrophobicContact CD1-CZ 4.26Å; R106-F140 HydrophobicContact CG-CD1 3.77Å; R106-F140 HydrophobicContact CG-CE1 3.41Å; R106-F140 VanDerWaalsContact CG-CE1 3.41Å; R106-F140 HydrophobicContact CG-CE2 4.41Å; R106-F140 HydrophobicContact CG-CG 4.44Å; R106-F140 HydrophobicContact CG-CZ 3.76Å; E136-F140 PolarHBondContact O-N 3.49Å; E136-F140 VanDerWaalsContact O-N 3.13Å; E137-F140 WeakPolarHBondContact O-CB 3.49Å; E137-F140 PolarHBondContact O-N 3.49Å; E137-F140 VanDerWaalsContact O-N 3.11Å; L138-F140 VanDerWaalsContact C-N 3.3Å; L138-F140 PolarHBondContact O-N 3.38Å; F140-G142 PolarHBondContact O-N 3.23Å
141W96.7Very high95.8Very high0 Ų049 Ų490%029%0.291CS..Hα-helixtrans-76.4-10.5-179.2-66.2112.5000113.7V14 R33 L34 F104 R106 F111 V114 E137 L138 I143V14-W141 HydrophobicContact CG1-CZ2 4.27Å; V14-W141 HydrophobicContact CG2-CH2 4.3Å; V14-W141 HydrophobicContact CG2-CZ2 4.49Å; R33-W141 WeakPolarHBondContact CB-O 3.42Å; R33-W141 PolarHBondContact N-O 3.4Å; L34-W141 HydrophobicContact CD2-CE3 3.91Å; L34-W141 HydrophobicContact CD2-CZ3 3.62Å; L34-W141 HydrophobicContact CG-CE3 4.12Å; L34-W141 HydrophobicContact CG-CZ3 4.34Å; F104-W141 HydrophobicContact CB-CH2 3.73Å; F104-W141 HydrophobicContact CB-CZ2 4.4Å; F104-W141 AromaticContact CD1-CH2 3.82Å; F104-W141 HydrophobicContact CD1-CH2 3.82Å; F104-W141 AromaticContact CD1-CZ3 3.92Å; F104-W141 HydrophobicContact CD1-CZ3 3.92Å; F104-W141 AromaticContact CD2-CH2 3.88Å; F104-W141 HydrophobicContact CD2-CH2 3.88Å; F104-W141 HydrophobicContact CD2-CZ3 4.22Å; F104-W141 HydrophobicContact CE1-CZ3 4.19Å; F104-W141 HydrophobicContact CE2-CZ3 4.46Å; F104-W141 AromaticContact CG-CH2 3.5Å; F104-W141 HydrophobicContact CG-CH2 3.5Å; F104-W141 AromaticContact CG-CZ3 3.98Å; F104-W141 HydrophobicContact CG-CZ3 3.98Å; F104-W141 HydrophobicContact CZ-CZ3 4.49Å; R106-W141 HydrophobicContact CB-CZ2 4.01Å; R106-W141 HydrophobicContact CG-CZ2 3.95Å; F111-W141 HydrophobicContact CD2-CD2 4.13Å; F111-W141 AromaticContact CD2-CE2 3.49Å; F111-W141 VanDerWaalsContact CD2-CE2 3.49Å; F111-W141 AromaticContact CD2-CH2 3.71Å; F111-W141 HydrophobicContact CD2-CH2 3.71Å; F111-W141 AromaticContact CD2-CZ2 3.27Å; F111-W141 HydrophobicContact CD2-CZ2 3.27Å; F111-W141 HydrophobicContact CD2-CZ3 4.32Å; F111-W141 AromaticContact CD2-NE1 3.94Å; F111-W141 HydrophobicContact CE2-CD2 4.18Å; F111-W141 AromaticContact CE2-CE2 3.94Å; F111-W141 HydrophobicContact CE2-CE3 4.13Å; F111-W141 AromaticContact CE2-CH2 3.57Å; F111-W141 HydrophobicContact CE2-CH2 3.57Å; F111-W141 AromaticContact CE2-CZ2 3.65Å; F111-W141 HydrophobicContact CE2-CZ2 3.65Å; F111-W141 AromaticContact CE2-CZ3 3.85Å; F111-W141 HydrophobicContact CE2-CZ3 3.85Å; F111-W141 HydrophobicContact CG-CZ2 4.19Å; V114-W141 HydrophobicContact CG1-CB 4.14Å; V114-W141 HydrophobicContact CG1-CD2 4.3Å; V114-W141 HydrophobicContact CG1-CG 3.86Å; V114-W141 HydrophobicContact CG2-CG 4.39Å; E137-W141 PolarHBondContact O-N 3.43Å; E137-W141 PolarHBondContact OE2-NE1 3Å; L138-W141 PolarHBondContact O-N 2.72Å; L138-W141 VanDerWaalsContact O-N 3.16Å; W141-I143 HydrophobicContact CB-CD1 4.19Å; W141-I143 HydrophobicContact CB-CG1 4.32Å
142G94.6Very high95.9Very high45 Ų4549.5 Ų49.546%0.46429%0.293SS..THydrogen-bonded Turntrans7332.2-178.600000112.5L138 A139 F140L138-G142 PolarHBondContact O-N 2.71Å; A139-G142 PolarHBondContact O-N 3.07Å; F140-G142 PolarHBondContact O-N 3.23Å
143I96Very high95.9Very high11 Ų1150.6 Ų50.66%0.05629%0.292CS..  trans-96136.6174-65.1169.3000108.1V114 Y117 Y118 L123 L138 W141 E145V114-I143 HydrophobicContact CB-CD1 4.3Å; V114-I143 HydrophobicContact CG1-CD1 3.56Å; V114-I143 HydrophobicContact CG2-CD1 4.37Å; Y117-I143 HydrophobicContact CD1-CD1 4.09Å; Y117-I143 HydrophobicContact CD1-CG1 4.48Å; Y117-I143 HydrophobicContact CD1-CG2 4.05Å; Y117-I143 HydrophobicContact CE1-CG2 3.82Å; Y118-I143 HydrophobicContact CE2-CD1 4.14Å; L123-I143 HydrophobicContact CD2-CG2 3.79Å; L138-I143 HydrophobicContact CB-CB 4.47Å; L138-I143 HydrophobicContact CD2-CB 4.1Å; L138-I143 HydrophobicContact CD2-CD1 4.16Å; L138-I143 HydrophobicContact CD2-CG2 4.04Å; L138-I143 PolarHBondContact O-N 3.28Å; W141-I143 HydrophobicContact CB-CD1 4.19Å; W141-I143 HydrophobicContact CB-CG1 4.32Å; I143-E145 PolarHBondContact O-N 3.2Å
144D94.7Very high95.8Very high91 Ų9154.4 Ų54.449%0.48731%0.31SS..  trans-71.2129.3175.9-157.5-28000110T146 D147D144-T146 PolarHBondContact O-N 3.11Å; D144-T146 PolarHBondContact OD1-N 3.4Å; D144-T146 PolarHBondContact OD1-OG1 3.38Å; D144-D147 WeakPolarHBondContact O-CB 3.38Å; D144-D147 PolarHBondContact O-N 3.02Å
145E93.9Very high95.6Very high43 Ų4359 Ų5920%0.20134%0.338CS..G310 helixtrans-66-22.4179.160174.3178.600112.4L138 I143 D147 V148 W153 Y156 R160L138-E145 HydrophobicContact CD1-CB 4.5Å; I143-E145 PolarHBondContact O-N 3.2Å; E145-D147 PolarHBondContact O-N 2.87Å; E145-V148 WeakPolarHBondContact O-CG2 3.2Å; E145-V148 PolarHBondContact O-N 2.93Å; E145-W153 WeakPolarHBondContact O-CZ3 3.37Å; E145-Y156 HydrophobicContact CB-CE1 4.2Å; E145-Y156 WeakPolarHBondContact CB-OH 3.28Å; E145-Y156 PolarHBondContact OE2-OH 3.39Å; E145-R160 IonicContact OE1-CZ 3.64Å; E145-R160 IonicContact OE1-NH1 2.77Å; E145-R160 PolarHBondContact OE1-NH1 3.4Å; E145-R160 IonicContact OE2-NH1 3.98Å; E145-R160 PolarHBondContact OE2-NH1 3.5Å; E145-R160 VanDerWaalsContact OE2-NH1 3.13Å
146T94.6Very high95.6Very high83 Ų8357 Ų5751%0.50933%0.328SS..G310 helixtrans-72.2-10.3178.562.70000113.9D144 V148D144-T146 PolarHBondContact O-N 3.11Å; D144-T146 PolarHBondContact OD1-N 3.4Å; D144-T146 PolarHBondContact OD1-OG1 3.38Å; T146-V148 PolarHBondContact O-N 2.9Å
147D95.5Very high95.5Very high67 Ų6753.5 Ų53.536%0.35831%0.309SS..G310 helixtrans-78.3-6.1178.1-66.6-24.9000112.9Y117 L123 D144 E145 E149Y117-D147 PolarHBondContact OH-OD2 3.24Å; Y117-D147 VanDerWaalsContact OH-OD2 3.07Å; L123-D147 HydrophobicContact CD2-CB 4.14Å; D144-D147 WeakPolarHBondContact O-CB 3.38Å; D144-D147 PolarHBondContact O-N 3.02Å; E145-D147 PolarHBondContact O-N 2.87Å; D147-E149 PolarHBondContact O-N 3.22Å
148V96.5Very high95.3Very high8 Ų857.4 Ų57.45%0.04833%0.328CS..BIsolated β-bridgetrans-63.4128.3177.3175.40000110.7L123 F134 L138 E145 T146 C152 W153L123-V148 HydrophobicContact CD2-CG2 3.65Å; L123-V148 HydrophobicContact CG-CG2 4Å; L123-V148 WeakPolarHBondContact O-CA 3.28Å; F134-V148 HydrophobicContact CE1-CG2 4.34Å; L138-V148 HydrophobicContact CD1-CG2 4.39Å; E145-V148 WeakPolarHBondContact O-CG2 3.2Å; E145-V148 PolarHBondContact O-N 2.93Å; T146-V148 PolarHBondContact O-N 2.9Å; V148-C152 HydrophobicContact CG1-CB 3.77Å; V148-W153 HydrophobicContact CB-CE3 4.19Å
149E96.9Very high95Very high58 Ų5861.3 Ų61.327%0.27135%0.345SS..  trans-60.1146.4-178.2-69.3-72.5156.200112.7K122 L123 D147 C151 C152 W153K122-E149 HydrophobicContact CB-CG 4.11Å; K122-E149 WeakPolarHBondContact CG-OE1 3.19Å; L123-E149 WeakPolarHBondContact O-CG 3.36Å; L123-E149 PolarHBondContact O-N 3.4Å; D147-E149 PolarHBondContact O-N 3.22Å; E149-C151 PolarHBondContact O-N 3.44Å; E149-C152 PolarHBondContact O-N 2.97Å; E149-W153 PolarHBondContact O-N 3.15Å; E149-W153 VanDerWaalsContact O-N 3.13Å
150P96.6Very high94.7Very high105 Ų10561.3 Ų61.368%0.68233%0.33SS*.Hα-helixtrans-55.5-28.6-176.6-28.335000115.2C152P150-C152 PolarHBondContact O-N 3.16Å
151C96.1Very high94.4Very high96 Ų9662 Ų6265%0.64934%0.336SS*.Hα-helixtrans-66.8-21.2177.961.90000113.8H124 E149H124-C151 VanDerWaalsContact CE1-SG 3.54Å; E149-C151 PolarHBondContact O-N 3.44Å
152C96.2Very high94Very high20 Ų2062.4 Ų62.414%0.13534%0.339CS..Hα-helixtrans-109.2-22.8-179.2-65.10000112.7C125 V148 E149 P150 M154 T155 Y156C125-C152 HydrophobicContact CB-CB 3.74Å; V148-C152 HydrophobicContact CG1-CB 3.77Å; E149-C152 PolarHBondContact O-N 2.97Å; P150-C152 PolarHBondContact O-N 3.16Å; C152-M154 PolarHBondContact O-N 3.33Å; C152-T155 PolarHBondContact O-N 3.43Å; C152-T155 VanDerWaalsContact O-N 3.16Å; C152-Y156 WeakPolarHBondContact O-CB 3.42Å; C152-Y156 PolarHBondContact O-N 3.36Å
153W96Very high93.7Very high64 Ų6463.5 Ų63.524%0.24233%0.332CS..Hα-helixtrans-51.9-48.8-172.3180-99.6000113.8E145 V148 E149 T155 Y156 R157E145-W153 WeakPolarHBondContact O-CZ3 3.37Å; V148-W153 HydrophobicContact CB-CE3 4.19Å; E149-W153 PolarHBondContact O-N 3.15Å; E149-W153 VanDerWaalsContact O-N 3.13Å; W153-T155 VanDerWaalsContact C-N 3.31Å; W153-T155 PolarHBondContact O-N 3.04Å; W153-Y156 HydrophobicContact CE3-CD1 4.32Å; W153-Y156 HydrophobicContact CZ3-CD1 4.38Å; W153-Y156 HydrophobicContact CZ3-CE1 4.45Å; W153-Y156 PolarHBondContact O-N 2.97Å; W153-R157 WeakPolarHBondContact O-CB 3.32Å; W153-R157 PolarHBondContact O-N 3.07Å
154M92.8Very high93.2Very high144 Ų14466.7 Ų66.771%0.70935%0.347SS*.Hα-helixtrans-62.2-38.6-177-64-63.2-92.700112.1C152 Q158C152-M154 PolarHBondContact O-N 3.33Å; M154-Q158 WeakPolarHBondContact O-CB 3.46Å; M154-Q158 PolarHBondContact O-N 2.91Å
155T93.5Very high92.7Very high96 Ų9663 Ų6359%0.58933%0.329SS*.Hα-helixtrans-75.2-40.7177.5-52.60000111.5C152 W153C152-T155 PolarHBondContact O-N 3.43Å; C152-T155 VanDerWaalsContact O-N 3.16Å; W153-T155 VanDerWaalsContact C-N 3.31Å; W153-T155 PolarHBondContact O-N 3.04Å
156Y95.3Very high92.1Very high6 Ų661.8 Ų61.82%0.02432%0.324CS..Hα-helixtrans-57.6-50177.2168.3-109.5000111.4F134 E135 E145 C152 W153F134-Y156 HydrophobicContact CB-CE2 4.39Å; F134-Y156 AromaticContact CD1-CD2 3.77Å; F134-Y156 HydrophobicContact CD1-CD2 3.77Å; F134-Y156 AromaticContact CD1-CE2 3.7Å; F134-Y156 HydrophobicContact CD1-CE2 3.7Å; F134-Y156 HydrophobicContact CG-CE2 4.5Å; E135-Y156 WeakPolarHBondContact CA-OH 3.47Å; E135-Y156 HydrophobicContact CB-CE2 4.07Å; E135-Y156 VanDerWaalsContact CB-OH 3.22Å; E135-Y156 WeakPolarHBondContact CB-OH 3.45Å; E135-Y156 WeakPolarHBondContact CG-OH 3.47Å; E145-Y156 HydrophobicContact CB-CE1 4.2Å; E145-Y156 WeakPolarHBondContact CB-OH 3.28Å; E145-Y156 PolarHBondContact OE2-OH 3.39Å; C152-Y156 WeakPolarHBondContact O-CB 3.42Å; C152-Y156 PolarHBondContact O-N 3.36Å; W153-Y156 HydrophobicContact CE3-CD1 4.32Å; W153-Y156 HydrophobicContact CZ3-CD1 4.38Å; W153-Y156 HydrophobicContact CZ3-CE1 4.45Å; W153-Y156 PolarHBondContact O-N 2.97Å
157R94.1Very high91Very high56 Ų5660.7 Ų60.721%0.21132%0.315CS..Hα-helixtrans-85.8-11.8-173.3-153.5179.7170.8105.97.1114.2W153 H159 R160 D161W153-R157 WeakPolarHBondContact O-CB 3.32Å; W153-R157 PolarHBondContact O-N 3.07Å; R157-H159 VanDerWaalsContact C-N 3.3Å; R157-H159 PolarHBondContact O-N 3.31Å; R157-H159 VanDerWaalsContact O-N 3.13Å; R157-R160 PolarHBondContact O-N 2.94Å; R157-D161 WeakPolarHBondContact CD-OD1 3.49Å; R157-D161 WeakPolarHBondContact CG-OD1 3.37Å; R157-D161 IonicContact CZ-OD1 3.8Å; R157-D161 IonicContact NE-OD1 4Å; R157-D161 PolarHBondContact NE-OD1 3.1Å; R157-D161 IonicContact NE-OD2 3.11Å; R157-D161 PolarHBondContact O-N 3Å
158Q91.5Very high89.3Confident92 Ų9261.8 Ų61.843%0.4332%0.32SS..Hα-helixtrans-47-47.2-175.1-171.1179.535.900114M154 A162 M478M154-Q158 WeakPolarHBondContact O-CB 3.46Å; M154-Q158 PolarHBondContact O-N 2.91Å; Q158-A162 VanDerWaalsContact O-CB 3.29Å; Q158-A162 WeakPolarHBondContact O-CB 3.3Å; Q158-A162 PolarHBondContact O-N 3.07Å; Q158-A162 VanDerWaalsContact O-N 3.1Å; Q158-M478 HydrophobicContact CG-SD 3.77Å; Q158-M478 PolarHBondContact NE2-SD 3.48Å
159H89.9Confident87.1Confident82 Ų8265.6 Ų65.638%0.3834%0.336SS..Hα-helixtrans-69.5-42.6-178.8-173.8-80000111.7P132 R157 A162 E163P132-H159 HydrophobicContact CG-CB 4.14Å; R157-H159 VanDerWaalsContact C-N 3.3Å; R157-H159 PolarHBondContact O-N 3.31Å; R157-H159 VanDerWaalsContact O-N 3.13Å; H159-A162 PolarHBondContact O-N 3.47Å; H159-E163 IonicContact CE1-OE2 3.74Å; H159-E163 IonicContact ND1-OE2 3.49Å; H159-E163 WeakPolarHBondContact O-CB 3.46Å; H159-E163 PolarHBondContact O-N 3.17Å
160R91.2Very high85Confident74 Ų7467.2 Ų67.228%0.27934%0.343SS..Hα-helixtrans-69-42.4-179-171.6165.8174.3-165.7-0.5111.4E135 E145 R157 A162 E163 E164E135-R160 VanDerWaalsContact CD-NH1 3.34Å; E135-R160 IonicContact OE1-CZ 3.83Å; E135-R160 VanDerWaalsContact OE1-CZ 3.26Å; E135-R160 IonicContact OE1-NE 2.7Å; E135-R160 IonicContact OE1-NH1 3.15Å; E135-R160 PolarHBondContact OE1-NH1 3.29Å; E135-R160 WeakPolarHBondContact OE2-CD 3.44Å; E135-R160 IonicContact OE2-NH1 2.87Å; E145-R160 IonicContact OE1-CZ 3.64Å; E145-R160 IonicContact OE1-NH1 2.77Å; E145-R160 PolarHBondContact OE1-NH1 3.4Å; E145-R160 IonicContact OE2-NH1 3.98Å; E145-R160 PolarHBondContact OE2-NH1 3.5Å; E145-R160 VanDerWaalsContact OE2-NH1 3.13Å; R157-R160 PolarHBondContact O-N 2.94Å; R160-A162 VanDerWaalsContact C-N 3.29Å; R160-A162 PolarHBondContact O-N 3.19Å; R160-E163 PolarHBondContact O-N 3.38Å; R160-E164 HydrophobicContact CG-CG 4.44Å; R160-E164 IonicContact NE-OE1 3.17Å; R160-E164 PolarHBondContact NE-OE1 3.19Å; R160-E164 WeakPolarHBondContact O-CB 3.43Å; R160-E164 VanDerWaalsContact O-CG 3.31Å; R160-E164 WeakPolarHBondContact O-CG 3.45Å; R160-E164 PolarHBondContact O-N 3.19Å
161D90.2Very high82.3Confident62 Ų6265.6 Ų65.633%0.33233%0.331SS..Hα-helixtrans-63.3-36.6174.2-70.7-21.9000111.7R157 A165R157-D161 WeakPolarHBondContact CD-OD1 3.49Å; R157-D161 WeakPolarHBondContact CG-OD1 3.37Å; R157-D161 IonicContact CZ-OD1 3.8Å; R157-D161 IonicContact NE-OD1 4Å; R157-D161 PolarHBondContact NE-OD1 3.1Å; R157-D161 IonicContact NE-OD2 3.11Å; R157-D161 PolarHBondContact O-N 3Å; D161-A165 VanDerWaalsContact O-CB 3.25Å; D161-A165 WeakPolarHBondContact O-CB 3.44Å; D161-A165 PolarHBondContact O-N 3.18Å
162A88.2Confident79.2Confident8 Ų866.1 Ų66.17%0.06633%0.334CS..Hα-helixtrans-70.2-39.3174.700000112.9Q158 H159 R160 L166 Y479 L482Q158-A162 VanDerWaalsContact O-CB 3.29Å; Q158-A162 WeakPolarHBondContact O-CB 3.3Å; Q158-A162 PolarHBondContact O-N 3.07Å; Q158-A162 VanDerWaalsContact O-N 3.1Å; H159-A162 PolarHBondContact O-N 3.47Å; R160-A162 VanDerWaalsContact C-N 3.29Å; R160-A162 PolarHBondContact O-N 3.19Å; A162-L166 WeakPolarHBondContact O-CG 3.44Å; A162-L166 PolarHBondContact O-N 3.48Å; A162-Y479 HydrophobicContact CB-CD1 3.89Å; A162-Y479 HydrophobicContact CB-CE1 3.84Å; A162-L482 HydrophobicContact CB-CD2 3.7Å
163E87.3Confident76.3Confident67 Ų6770.4 Ų70.431%0.31336%0.356SS..Hα-helixtrans-66.4-48.1174.7-176.8151.9-134.100111.2H159 R160 A165 L166 D167 K486H159-E163 IonicContact CE1-OE2 3.74Å; H159-E163 IonicContact ND1-OE2 3.49Å; H159-E163 WeakPolarHBondContact O-CB 3.46Å; H159-E163 PolarHBondContact O-N 3.17Å; R160-E163 PolarHBondContact O-N 3.38Å; E163-A165 VanDerWaalsContact C-N 3.3Å; E163-A165 PolarHBondContact O-N 3.13Å; E163-L166 CarbonylContact O-C 3.52Å; E163-L166 PolarHBondContact O-N 3.37Å; E163-D167 WeakPolarHBondContact CG-OD2 3.38Å; E163-D167 VanDerWaalsContact O-CB 3.31Å; E163-D167 WeakPolarHBondContact O-CB 3.4Å; E163-D167 VanDerWaalsContact O-CG 3.23Å; E163-D167 PolarHBondContact O-N 3.02Å; E163-K486 IonicContact OE1-NZ 2.65Å; E163-K486 PolarHBondContact OE1-NZ 3.23Å
164E86.9Confident73.7Confident79 Ų7972.5 Ų72.537%0.36937%0.371SS..Hα-helixtrans-58.6-38.7175.4-73.6178.8-169.300112.3R160 L166 I168R160-E164 HydrophobicContact CG-CG 4.44Å; R160-E164 IonicContact NE-OE1 3.17Å; R160-E164 PolarHBondContact NE-OE1 3.19Å; R160-E164 WeakPolarHBondContact O-CB 3.43Å; R160-E164 VanDerWaalsContact O-CG 3.31Å; R160-E164 WeakPolarHBondContact O-CG 3.45Å; R160-E164 PolarHBondContact O-N 3.19Å; E164-L166 VanDerWaalsContact C-N 3.32Å; E164-L166 PolarHBondContact O-N 3.25Å; E164-I168 WeakPolarHBondContact O-CD1 3.31Å; E164-I168 WeakPolarHBondContact O-CG1 3.44Å
165A83.6Confident70.8Confident14 Ų1473.3 Ų73.312%0.11638%0.376CS..Hα-helixtrans-66.7-32.2176.900000113D161 E163 Y479D161-A165 VanDerWaalsContact O-CB 3.25Å; D161-A165 WeakPolarHBondContact O-CB 3.44Å; D161-A165 PolarHBondContact O-N 3.18Å; E163-A165 VanDerWaalsContact C-N 3.3Å; E163-A165 PolarHBondContact O-N 3.13Å; A165-Y479 HydrophobicContact CB-CE1 3.92Å; A165-Y479 HydrophobicContact CB-CE2 4.06Å
166L80Confident67.7Low16 Ų1671.2 Ų71.28%0.08437%0.373CS..Hα-helixtrans-87.7-34.1177.8-67.1-174.6000112.9A162 E163 E164 I168 F169 L482 A483A162-L166 WeakPolarHBondContact O-CG 3.44Å; A162-L166 PolarHBondContact O-N 3.48Å; E163-L166 CarbonylContact O-C 3.52Å; E163-L166 PolarHBondContact O-N 3.37Å; E164-L166 VanDerWaalsContact C-N 3.32Å; E164-L166 PolarHBondContact O-N 3.25Å; L166-I168 PolarHBondContact O-N 3.47Å; L166-F169 VanDerWaalsContact O-CB 3.31Å; L166-F169 WeakPolarHBondContact O-CB 3.43Å; L166-F169 PolarHBondContact O-N 2.94Å; L166-L482 HydrophobicContact CD1-CB 3.87Å; L166-L482 HydrophobicContact CD1-CD2 3.62Å; L166-L482 HydrophobicContact CD1-CG 3.61Å; L166-L482 HydrophobicContact CG-CD2 4.45Å; L166-A483 HydrophobicContact CD1-CB 4.16Å
167D71.6Confident64.5Low61 Ų6172.8 Ų72.833%0.32639%0.391SS..Hα-helixtrans-70.9-16.1-175.2-76.53.1000112.7E163 F169 E170 K486E163-D167 WeakPolarHBondContact CG-OD2 3.38Å; E163-D167 VanDerWaalsContact O-CB 3.31Å; E163-D167 WeakPolarHBondContact O-CB 3.4Å; E163-D167 VanDerWaalsContact O-CG 3.23Å; E163-D167 PolarHBondContact O-N 3.02Å; D167-F169 PolarHBondContact O-N 3.2Å; D167-E170 PolarHBondContact O-N 2.65Å; D167-K486 IonicContact OD1-NZ 3.26Å; D167-K486 PolarHBondContact OD1-NZ 3.02Å
168I61Low61.6Low89 Ų8974.2 Ų74.246%0.45640%0.403SS..THydrogen-bonded Turntrans-55.6-16166.1-67164000111.7E164 L166E164-I168 WeakPolarHBondContact O-CD1 3.31Å; E164-I168 WeakPolarHBondContact O-CG1 3.44Å; L166-I168 PolarHBondContact O-N 3.47Å
169F50.3Low58.9Low88 Ų8875.3 Ų75.339%0.38642%0.418SS..THydrogen-bonded Turntrans-93.1-20.9176.9-74.6-93.2000113.9L166 D167 T171 H373L166-F169 VanDerWaalsContact O-CB 3.31Å; L166-F169 WeakPolarHBondContact O-CB 3.43Å; L166-F169 PolarHBondContact O-N 2.94Å; D167-F169 PolarHBondContact O-N 3.2Å; F169-T171 PolarHBondContact O-N 2.96Å; F169-T171 VanDerWaalsContact O-N 3.1Å; F169-H373 AromaticContact CD1-CE1 3.44Å; F169-H373 VanDerWaalsContact CD1-CE1 3.44Å; F169-H373 WeakPolarHBondContact CD1-CE1 3.47Å; F169-H373 AromaticContact CD1-NE2 3.5Å; F169-H373 AromaticContact CD2-CD2 3.42Å; F169-H373 VanDerWaalsContact CD2-CD2 3.42Å; F169-H373 WeakPolarHBondContact CD2-CD2 3.47Å; F169-H373 AromaticContact CD2-CE1 3.08Å; F169-H373 WeakPolarHBondContact CD2-CE1 3.49Å; F169-H373 AromaticContact CD2-CG 3.73Å; F169-H373 AromaticContact CD2-ND1 3.45Å; F169-H373 WeakPolarHBondContact CD2-ND1 3.36Å; F169-H373 AromaticContact CD2-NE2 2.99Å; F169-H373 WeakPolarHBondContact CD2-NE2 3.36Å; F169-H373 AromaticContact CE1-CE1 3.05Å; F169-H373 WeakPolarHBondContact CE1-CE1 3.45Å; F169-H373 AromaticContact CE1-ND1 3.89Å; F169-H373 AromaticContact CE1-NE2 3.64Å; F169-H373 AromaticContact CE2-CD2 3.68Å; F169-H373 AromaticContact CE2-CE1 2.76Å; F169-H373 WeakPolarHBondContact CE2-CE1 3.23Å; F169-H373 AromaticContact CE2-CG 3.51Å; F169-H373 AromaticContact CE2-ND1 2.83Å; F169-H373 WeakPolarHBondContact CE2-ND1 3.43Å; F169-H373 AromaticContact CE2-NE2 3.26Å; F169-H373 VanDerWaalsContact CE2-NE2 3.26Å; F169-H373 WeakPolarHBondContact CE2-NE2 3.26Å; F169-H373 AromaticContact CG-CE1 3.49Å; F169-H373 VanDerWaalsContact CG-CE1 3.49Å; F169-H373 WeakPolarHBondContact CG-CE1 3.21Å; F169-H373 AromaticContact CG-NE2 3.23Å; F169-H373 WeakPolarHBondContact CG-NE2 3.49Å; F169-H373 AromaticContact CZ-CE1 2.74Å; F169-H373 WeakPolarHBondContact CZ-CE1 3.36Å; F169-H373 AromaticContact CZ-ND1 3.1Å; F169-H373 WeakPolarHBondContact CZ-ND1 3.32Å; F169-H373 AromaticContact CZ-NE2 3.58Å
170E51.9Low56.3Low93 Ų9374.1 Ų74.144%0.43543%0.428SS..  trans-88.173.7172.1-66.2-174.7-175.600107.6D167D167-E170 PolarHBondContact O-N 2.65Å
171T40.6Very low53.8Low70 Ų7076.2 Ų76.243%0.42945%0.445SS..  trans-50.4142.5156.832.70000108.3F169 D173 E309F169-T171 PolarHBondContact O-N 2.96Å; F169-T171 VanDerWaalsContact O-N 3.1Å; T171-D173 PolarHBondContact O-N 3.3Å; T171-E309 WeakPolarHBondContact CG2-OE1 3.44Å
172P31.5Very low51.7Low108 Ų10875.1 Ų75.170%0.70144%0.439SS*.SBendtrans-74.347.9-152.430.1-37.4000116
173D35.5Very low49.6Very low110 Ų11083.2 Ų83.259%0.58848%0.476SS*.SBendtrans-11310.1178.1-70.5-23.7000113.4T171T171-D173 PolarHBondContact O-N 3.3Å
174L41.2Very low47.4Very low107 Ų10786.5 Ų86.556%0.5650%0.496SS*.SBendtrans-120.61.4175.8-73.2168.1000115.3
175I30.9Very low45.4Very low162 Ų16286.1 Ų86.183%0.83150%0.495SS*.SBendtrans-107.576.5168.3-52.7-179.7000108.6
176G28.2Very low43.3Very low51 Ų5188 Ų8853%0.52651%0.511SS..SBendtrans147.989.9177.500000109.1
177G29.1Very low41.4Very low39 Ų3989.2 Ų89.240%0.40252%0.523SS..  cis-167.9-142.110.300000107.8D182G177-D182 WeakPolarHBondContact CA-OD1 3.45Å; G177-D182 WeakPolarHBondContact CA-OD2 3.31Å; G177-D182 VanDerWaalsContact N-CG 3.35Å; G177-D182 PolarHBondContact N-OD1 3.47Å; G177-D182 PolarHBondContact N-OD2 3.29Å
178D32.7Very low40.2Very low86 Ų8692.1 Ų92.146%0.4653%0.533SS..  trans-70.2130.9178.4-168.332.5000110.7G180 D181 D182D178-G180 PolarHBondContact O-N 3.39Å; D178-D181 PolarHBondContact O-N 3.05Å; D178-D181 VanDerWaalsContact O-N 3.07Å; D178-D182 PolarHBondContact N-OD2 3.32Å; D178-D182 VanDerWaalsContact N-OD2 3.09Å; D178-D182 PolarHBondContact O-N 2.98Å
179P35Very low39.7Very low115 Ų11596.7 Ų96.775%0.74755%0.545SS*.THydrogen-bonded Turntrans-60.44.1169.8-18.230.1000114.4
180G34.6Very low39.4Very low57 Ų5797.7 Ų97.759%0.58855%0.553SS**THydrogen-bonded Turntrans-96.2-26.4173.600000115.2D178D178-G180 PolarHBondContact O-N 3.39Å
181D40.4Very low38.5Very low118 Ų11896.4 Ų96.463%0.63157%0.566SS**THydrogen-bonded Turntrans-128.1-8.6-166.1-62.1-18.9000114.1D178D178-D181 PolarHBondContact O-N 3.05Å; D178-D181 VanDerWaalsContact O-N 3.07Å
182D45.6Very low38.9Very low39 Ų3997.5 Ų97.521%0.20957%0.568CS.*Hα-helixtrans-84.1-10.4-169.9-68.7-40.8000116.3G177 D178 D184 L185 A186G177-D182 WeakPolarHBondContact CA-OD1 3.45Å; G177-D182 WeakPolarHBondContact CA-OD2 3.31Å; G177-D182 VanDerWaalsContact N-CG 3.35Å; G177-D182 PolarHBondContact N-OD1 3.47Å; G177-D182 PolarHBondContact N-OD2 3.29Å; D178-D182 PolarHBondContact N-OD2 3.32Å; D178-D182 VanDerWaalsContact N-OD2 3.09Å; D178-D182 PolarHBondContact O-N 2.98Å; D182-D184 PolarHBondContact O-N 2.84Å; D182-L185 PolarHBondContact O-N 2.89Å; D182-A186 WeakPolarHBondContact O-CB 3.5Å; D182-A186 PolarHBondContact O-N 2.85Å
183E44Very low39.3Very low179 Ų17998.2 Ų98.284%0.83656%0.562SS**Hα-helixtrans-63.1-32.3172.9-84.3-166.4114.700111.2
184D40.3Very low39.5Very low136 Ų136100.9 Ų100.973%0.72758%0.576SS**Hα-helixtrans-86.7-31.4177.4-78.8-17.2000113.1D182 K188D182-D184 PolarHBondContact O-N 2.84Å; D184-K188 PolarHBondContact O-N 3.21Å; D184-K188 VanDerWaalsContact O-N 3.13Å
185L44.4Very low39.5Very low70 Ų7099.9 Ų99.937%0.36658%0.583SS.*Hα-helixtrans-83.6-30.6-177.7-164.562.2000113.4D182 A187 K188 R189D182-L185 PolarHBondContact O-N 2.89Å; L185-A187 VanDerWaalsContact C-N 3.31Å; L185-K188 HydrophobicContact CD1-CB 4.27Å; L185-K188 PolarHBondContact O-N 3.42Å; L185-R189 PolarHBondContact O-N 2.77Å
186A40.5Very low40Very low53 Ų5397.6 Ų97.644%0.43859%0.588SS.*Hα-helixtrans-67.3-34.217000000111.3D182 L190D182-A186 WeakPolarHBondContact O-CB 3.5Å; D182-A186 PolarHBondContact O-N 2.85Å; A186-L190 WeakPolarHBondContact O-CB 3.18Å; A186-L190 PolarHBondContact O-N 3.07Å
187A40.8Very low40.3Very low42 Ų4298.2 Ų98.235%0.34759%0.594SS.*Hα-helixtrans-65.4-39170.900000112L185 I192L185-A187 VanDerWaalsContact C-N 3.31Å; A187-I192 PolarHBondContact O-N 3.5Å
188K44.7Very low40.8Very low123 Ų123104.2 Ų104.254%0.53562%0.616SS.*Hα-helixtrans-69.6-39.9177-100.9171.8178.4169.50114.7D184 L185 L190 G191 E193D184-K188 PolarHBondContact O-N 3.21Å; D184-K188 VanDerWaalsContact O-N 3.13Å; L185-K188 HydrophobicContact CD1-CB 4.27Å; L185-K188 PolarHBondContact O-N 3.42Å; K188-L190 VanDerWaalsContact C-N 3.27Å; K188-L190 PolarHBondContact O-N 3.27Å; K188-G191 PolarHBondContact O-N 2.78Å; K188-E193 WeakPolarHBondContact CE-OE2 3.34Å; K188-E193 WeakPolarHBondContact CG-OE2 3.48Å
189R50.8Low40.8Very low185 Ų185104.5 Ų104.570%0.69864%0.64SS**Hα-helixtrans-74.7-16.2178.8-75.1-168.2176.4103.52.5114L185L185-R189 PolarHBondContact O-N 2.77Å
190L44Very low40.9Very low108 Ų108101.7 Ų101.757%0.56563%0.632SS**THydrogen-bonded Turntrans-96.922175-91.3141.9000113.2A186 K188 I192A186-L190 WeakPolarHBondContact O-CB 3.18Å; A186-L190 PolarHBondContact O-N 3.07Å; K188-L190 VanDerWaalsContact C-N 3.27Å; K188-L190 PolarHBondContact O-N 3.27Å; L190-I192 HydrophobicContact CB-CD1 4.18Å; L190-I192 WeakPolarHBondContact O-CG1 3.1Å; L190-I192 PolarHBondContact O-N 3.4Å; L190-I192 VanDerWaalsContact O-N 3.15Å
191G33.5Very low41.3Very low67 Ų67105.5 Ų105.569%0.69165%0.646SS**THydrogen-bonded Turntrans58.632.1169.800000114.6K188K188-G191 PolarHBondContact O-N 2.78Å
192I48.5Very low41.6Very low93 Ų93105.6 Ų105.648%0.47765%0.647SS.*  trans-103.846.2179-59.1156.7000110.2A187 L190A187-I192 PolarHBondContact O-N 3.5Å; L190-I192 HydrophobicContact CB-CD1 4.18Å; L190-I192 WeakPolarHBondContact O-CG1 3.1Å; L190-I192 PolarHBondContact O-N 3.4Å; L190-I192 VanDerWaalsContact O-N 3.15Å
193E40.4Very low41.8Very low123 Ų123107.1 Ų107.158%0.57567%0.671SS**SBendtrans-138.179.1162.7-75.4-177.9132.400106.4K188K188-E193 WeakPolarHBondContact CE-OE2 3.34Å; K188-E193 WeakPolarHBondContact CG-OE2 3.48Å
194D39.3Very low42.4Very low166 Ų166107.2 Ų107.289%0.88867%0.669SS**SBendtrans177.6-6.2160.9-88.9-21.6000111.7A196D194-A196 VanDerWaalsContact C-N 3.35Å
195A41Very low43.3Very low86 Ų86104.1 Ų104.171%0.71166%0.658SS**  trans-8911.8172.800000114.7G197A195-G197 PolarHBondContact O-N 3.07Å; A195-G197 VanDerWaalsContact O-N 3.13Å
196A41.7Very low44.5Very low113 Ų113102.4 Ų102.493%0.93466%0.657SS**THydrogen-bonded Turntrans-759.417700000114.1D194D194-A196 VanDerWaalsContact C-N 3.35Å
197G35.8Very low46.3Very low64 Ų64109.3 Ų109.366%0.6667%0.672SS**THydrogen-bonded Turntrans-114-7.8-173.400000117.6A195A195-G197 PolarHBondContact O-N 3.07Å; A195-G197 VanDerWaalsContact O-N 3.13Å
198L38.9Very low48.2Very low165 Ų165113 Ų11386%0.86468%0.677SS**  trans-134.6104.5179.8-80.3116000111.5G200L198-G200 VanDerWaalsContact C-N 3.34Å; L198-G200 PolarHBondContact O-N 3.43Å
199G32.3Very low49.8Very low93 Ų93113.6 Ų113.696%0.95968%0.676SS**  trans-62.19216700000110.9
200G38.2Very low51.3Low55 Ų55114 Ų11457%0.56768%0.678SS**  trans-108.9140.2167.100000110.1L198 D202L198-G200 VanDerWaalsContact C-N 3.34Å; L198-G200 PolarHBondContact O-N 3.43Å; G200-D202 VanDerWaalsContact C-N 3.26Å; G200-D202 PolarHBondContact O-N 3.19Å
201P41.8Very low53.3Low137 Ų137112.4 Ų112.489%0.8967%0.669SS**SBendtrans-76.573.6-173.632.9-34.5000111.2
202D47.4Very low55.9Low121 Ų121111.4 Ų111.465%0.64765%0.646SS**  trans-128.549.5173.5-93.9-28.8000112G200 K204 S205G200-D202 VanDerWaalsContact C-N 3.26Å; G200-D202 PolarHBondContact O-N 3.19Å; D202-K204 PolarHBondContact O-N 3.45Å; D202-S205 PolarHBondContact O-N 3.33Å; D202-S205 PolarHBondContact O-OG 2.91Å
203G49.5Very low57.6Low70 Ų70110.6 Ų110.672%0.72265%0.647SS**Hα-helixtrans-60.3-9.6172.100000114.7
204K55.7Low59.8Low182 Ų182113.6 Ų113.679%0.79165%0.653SS**Hα-helixtrans-79.8-36.9177.6-69.3-179.7179.8175.20112.8D202 G206 R207 W208D202-K204 PolarHBondContact O-N 3.45Å; K204-G206 VanDerWaalsContact C-N 3.34Å; K204-G206 PolarHBondContact O-N 2.86Å; K204-R207 PolarHBondContact O-N 3.45Å; K204-W208 PolarHBondContact O-N 3.43Å
205S60.4Low62.2Low71 Ų71107.7 Ų107.750%0.49762%0.621SS.*Hα-helixtrans-67.2-37-177.665.30000111.6D202 W208 R209D202-S205 PolarHBondContact O-N 3.33Å; D202-S205 PolarHBondContact O-OG 2.91Å; S205-W208 PolarHBondContact O-N 3.19Å; S205-R209 PolarHBondContact O-N 3.3Å; S205-R209 VanDerWaalsContact O-N 3.07Å
206G68.6Low64.5Low34 Ų34106 Ų10635%0.35160%0.596SS.*Hα-helixtrans-65.2-38.8176.500000113.7K204 R210K204-G206 VanDerWaalsContact C-N 3.34Å; K204-G206 PolarHBondContact O-N 2.86Å; G206-R210 WeakPolarHBondContact O-CG 3.31Å; G206-R210 PolarHBondContact O-N 3.19Å
207R78.9Confident66.5Low198 Ų198102.3 Ų102.375%0.74757%0.566SS**Hα-helixtrans-70.9-39.4178-165-177.4-63.4-166.80.4111.5K204 R210 L211K204-R207 PolarHBondContact O-N 3.45Å; R207-R210 PolarHBondContact O-N 3Å; R207-L211 VanDerWaalsContact O-CB 3.32Å; R207-L211 WeakPolarHBondContact O-CB 3.37Å; R207-L211 PolarHBondContact O-N 3.16Å
208W80.8Confident69Low119 Ų119101 Ų10145%0.45154%0.543SS..Hα-helixtrans-66.7-42.4179.7-149.188.5000111.7K204 S205 R210 L211 Q212 V302 F303K204-W208 PolarHBondContact O-N 3.43Å; S205-W208 PolarHBondContact O-N 3.19Å; W208-R210 VanDerWaalsContact C-N 3.28Å; W208-R210 PolarHBondContact O-N 2.93Å; W208-L211 PolarHBondContact O-N 3.16Å; W208-Q212 HydrophobicContact CE3-CB 4.27Å; W208-Q212 HydrophobicContact CZ3-CB 4.3Å; W208-Q212 HydrophobicContact CZ3-CG 4.2Å; W208-Q212 VanDerWaalsContact O-CB 3.3Å; W208-Q212 WeakPolarHBondContact O-CB 3.47Å; W208-Q212 PolarHBondContact O-N 3.03Å; W208-V302 HydrophobicContact CH2-CG1 4.47Å; W208-V302 VanDerWaalsContact CH2-O 3.24Å; W208-V302 WeakPolarHBondContact CH2-O 3.48Å; W208-V302 HydrophobicContact CZ2-CG1 3.77Å; W208-F303 HydrophobicContact CH2-CD1 4.46Å; W208-F303 HydrophobicContact CZ2-CD1 4.17Å; W208-F303 HydrophobicContact CZ2-CE1 4.13Å
209R79.5Confident71.3Confident136 Ų13693.8 Ų93.851%0.51351%0.505SS..Hα-helixtrans-61.1-32.6173.2-76.7-167.9-179.1-145.93.2113.6S205 P213S205-R209 PolarHBondContact O-N 3.3Å; S205-R209 VanDerWaalsContact O-N 3.07Å; R209-P213 WeakPolarHBondContact O-CD 3.31Å
210R81.5Confident73.6Confident194 Ų19492 Ų9273%0.73247%0.471SS*.Hα-helixtrans-78.5-33.2174.6-68.5179.5-169.7-149.92.8112.9G206 R207 W208G206-R210 WeakPolarHBondContact O-CG 3.31Å; G206-R210 PolarHBondContact O-N 3.19Å; R207-R210 PolarHBondContact O-N 3Å; W208-R210 VanDerWaalsContact C-N 3.28Å; W208-R210 PolarHBondContact O-N 2.93Å
211L84.9Confident75.4Confident74 Ų7492.8 Ų92.839%0.38746%0.463SS..Hα-helixtrans-78-34.9-179.2-174.864.6000112R207 W208 R214 M215 F303R207-L211 VanDerWaalsContact O-CB 3.32Å; R207-L211 WeakPolarHBondContact O-CB 3.37Å; R207-L211 PolarHBondContact O-N 3.16Å; W208-L211 PolarHBondContact O-N 3.16Å; L211-R214 PolarHBondContact O-N 3.43Å; L211-M215 HydrophobicContact CD1-CG 3.64Å; L211-M215 HydrophobicContact CD1-SD 4.22Å; L211-M215 HydrophobicContact CD2-CG 4.34Å; L211-M215 HydrophobicContact CG-CG 3.62Å; L211-M215 WeakPolarHBondContact O-CB 3.46Å; L211-M215 WeakPolarHBondContact O-CG 3.22Å; L211-M215 PolarHBondContact O-N 3.41Å; L211-F303 HydrophobicContact CD2-CE1 4.33Å; L211-F303 HydrophobicContact CD2-CZ 4.37Å; L211-F303 HydrophobicContact CG-CE1 4.39Å
212Q88.1Confident77.1Confident45 Ų4587.6 Ų87.621%0.2143%0.429CS..Hα-helixtrans-52.6-57.7-177.4-177.7-178.22.100113.7W208 R214 M215 W216 F303 S304W208-Q212 HydrophobicContact CE3-CB 4.27Å; W208-Q212 HydrophobicContact CZ3-CB 4.3Å; W208-Q212 HydrophobicContact CZ3-CG 4.2Å; W208-Q212 VanDerWaalsContact O-CB 3.3Å; W208-Q212 WeakPolarHBondContact O-CB 3.47Å; W208-Q212 PolarHBondContact O-N 3.03Å; Q212-R214 VanDerWaalsContact C-N 3.29Å; Q212-R214 PolarHBondContact O-N 2.94Å; Q212-M215 PolarHBondContact O-N 3.22Å; Q212-W216 VanDerWaalsContact O-CB 3.27Å; Q212-W216 WeakPolarHBondContact O-CB 3.41Å; Q212-W216 PolarHBondContact O-N 2.83Å; Q212-F303 HydrophobicContact CB-CD1 4.25Å; Q212-F303 HydrophobicContact CG-CB 4.39Å; Q212-F303 HydrophobicContact CG-CD1 4.36Å; Q212-F303 VanDerWaalsContact CG-O 3.28Å; Q212-F303 WeakPolarHBondContact CG-O 3.2Å; Q212-F303 PolarHBondContact NE2-O 2.99Å; Q212-S304 PolarHBondContact NE2-O 3.06Å
213P85.8Confident78.4Confident76 Ų7689.6 Ų89.649%0.49443%0.429SS..Hα-helixtrans-65.4-33-179.625.4-34.3000112.4R209 A217R209-P213 WeakPolarHBondContact O-CD 3.31Å; P213-A217 VanDerWaalsContact O-CB 3.26Å; P213-A217 WeakPolarHBondContact O-CB 3.4Å; P213-A217 PolarHBondContact O-N 3.18Å
214R86.4Confident79.8Confident186 Ų18688.8 Ų88.870%0.70241%0.412SS*.Hα-helixtrans-67.1-45.8177.5-69.1-178.1175.6-179.7-0.8111.9L211 Q212 L218L211-R214 PolarHBondContact O-N 3.43Å; Q212-R214 VanDerWaalsContact C-N 3.29Å; Q212-R214 PolarHBondContact O-N 2.94Å; R214-L218 WeakPolarHBondContact O-CB 3.37Å; R214-L218 PolarHBondContact O-N 3.36Å; R214-L218 VanDerWaalsContact O-N 3.09Å
215M89.4Confident81.2Confident42 Ų4282.5 Ų82.521%0.20739%0.391CS..Hα-helixtrans-69.7-38178-73.1-61.8-59.400111.9L211 Q212 L218 F219 V299 F303L211-M215 HydrophobicContact CD1-CG 3.64Å; L211-M215 HydrophobicContact CD1-SD 4.22Å; L211-M215 HydrophobicContact CD2-CG 4.34Å; L211-M215 HydrophobicContact CG-CG 3.62Å; L211-M215 WeakPolarHBondContact O-CB 3.46Å; L211-M215 WeakPolarHBondContact O-CG 3.22Å; L211-M215 PolarHBondContact O-N 3.41Å; Q212-M215 PolarHBondContact O-N 3.22Å; M215-L218 HydrophobicContact CE-CD2 4.5Å; M215-L218 WeakPolarHBondContact O-CB 3.35Å; M215-L218 PolarHBondContact O-N 2.89Å; M215-L218 HydrophobicContact SD-CD2 4.25Å; M215-F219 HydrophobicContact CE-CE2 4.03Å; M215-F219 PolarHBondContact O-N 2.93Å; M215-V299 HydrophobicContact CE-CG1 3.86Å; M215-F303 HydrophobicContact CB-CB 4.2Å; M215-F303 HydrophobicContact CB-CD1 4Å; M215-F303 HydrophobicContact CB-CD2 3.57Å; M215-F303 HydrophobicContact CB-CE1 4.23Å; M215-F303 HydrophobicContact CB-CE2 3.86Å; M215-F303 HydrophobicContact CB-CG 3.65Å; M215-F303 HydrophobicContact CB-CZ 4.16Å; M215-F303 HydrophobicContact CE-CD2 4.41Å; M215-F303 HydrophobicContact CE-CE2 3.95Å; M215-F303 HydrophobicContact CG-CD1 4.46Å; M215-F303 HydrophobicContact CG-CD2 4.19Å; M215-F303 HydrophobicContact CG-CE1 4.19Å; M215-F303 HydrophobicContact CG-CE2 3.94Å; M215-F303 HydrophobicContact CG-CG 4.44Å; M215-F303 HydrophobicContact CG-CZ 3.92Å
216W88.7Confident82.5Confident50 Ų5090.4 Ų90.419%0.18941%0.41CS..Hα-helixtrans-61-52.2173.7-179.9-109.5000111.4Q212 L218 F219 E220 R300 F303 F310Q212-W216 VanDerWaalsContact O-CB 3.27Å; Q212-W216 WeakPolarHBondContact O-CB 3.41Å; Q212-W216 PolarHBondContact O-N 2.83Å; W216-L218 PolarHBondContact O-N 2.87Å; W216-F219 PolarHBondContact O-N 3.33Å; W216-F219 VanDerWaalsContact O-N 3.16Å; W216-E220 HydrophobicContact CZ2-CB 4.44Å; W216-E220 HydrophobicContact CZ2-CG 4.01Å; W216-E220 WeakPolarHBondContact O-CB 3.45Å; W216-E220 PolarHBondContact O-N 3.5Å; W216-R300 HydrophobicContact CZ3-CB 4.31Å; W216-R300 WeakPolarHBondContact CZ3-O 3.46Å; W216-F303 HydrophobicContact CB-CB 4.48Å; W216-F310 AromaticContact CH2-CD2 3.84Å; W216-F310 HydrophobicContact CH2-CD2 3.84Å; W216-F310 HydrophobicContact CH2-CE2 4.11Å; W216-F310 HydrophobicContact CZ3-CD2 4.06Å; W216-F310 HydrophobicContact CZ3-CE2 4.11Å
217A84.9Confident83.6Confident36 Ų3691.4 Ų91.430%0.29842%0.415SS..Hα-helixtrans-60-33.5177.900000112.9P213 F219 D221 S224P213-A217 VanDerWaalsContact O-CB 3.26Å; P213-A217 WeakPolarHBondContact O-CB 3.4Å; P213-A217 PolarHBondContact O-N 3.18Å; A217-F219 VanDerWaalsContact C-N 3.33Å; A217-F219 PolarHBondContact O-N 2.88Å; A217-D221 PolarHBondContact O-N 3.46Å; A217-S224 PolarHBondContact O-OG 2.96Å
218L88Confident84.1Confident36 Ų3682 Ų8219%0.18838%0.38CS..Hα-helixtrans-64-34.1178.7-174.869.4000113.3R214 M215 W216 A227 A228 I231R214-L218 WeakPolarHBondContact O-CB 3.37Å; R214-L218 PolarHBondContact O-N 3.36Å; R214-L218 VanDerWaalsContact O-N 3.09Å; M215-L218 HydrophobicContact CE-CD2 4.5Å; M215-L218 WeakPolarHBondContact O-CB 3.35Å; M215-L218 PolarHBondContact O-N 2.89Å; M215-L218 HydrophobicContact SD-CD2 4.25Å; W216-L218 PolarHBondContact O-N 2.87Å; L218-A227 HydrophobicContact CD1-CB 3.62Å; L218-A228 HydrophobicContact CD1-CB 4.15Å; L218-A228 WeakPolarHBondContact O-CA 3.49Å; L218-A228 WeakPolarHBondContact O-CB 3.34Å; L218-I231 HydrophobicContact CD1-CD1 3.78Å; L218-I231 HydrophobicContact CD2-CD1 3.59Å; L218-I231 HydrophobicContact CG-CD1 3.46Å; L218-I231 VanDerWaalsContact CG-CD1 3.46Å
219F86.2Confident84.4Confident14 Ų1483.3 Ų83.36%0.06138%0.384CS..Hα-helixtrans-102.3-21-176.4-83.5-98.5000114.3M215 W216 A217 I231 F295 E296 V299 R300 R363M215-F219 HydrophobicContact CE-CE2 4.03Å; M215-F219 PolarHBondContact O-N 2.93Å; W216-F219 PolarHBondContact O-N 3.33Å; W216-F219 VanDerWaalsContact O-N 3.16Å; A217-F219 VanDerWaalsContact C-N 3.33Å; A217-F219 PolarHBondContact O-N 2.88Å; F219-I231 HydrophobicContact CD1-CG2 4.16Å; F219-I231 HydrophobicContact CE1-CG2 4.03Å; F219-I231 HydrophobicContact CE2-CD1 4.17Å; F219-I231 HydrophobicContact CZ-CD1 4.34Å; F219-I231 HydrophobicContact CZ-CG2 4.38Å; F219-F295 HydrophobicContact CE1-CE1 4.31Å; F219-F295 AromaticContact CZ-CE1 3.87Å; F219-F295 HydrophobicContact CZ-CE1 3.87Å; F219-F295 HydrophobicContact CZ-CZ 4.34Å; F219-E296 HydrophobicContact CD1-CG 3.95Å; F219-E296 HydrophobicContact CE1-CB 4.43Å; F219-E296 HydrophobicContact CE1-CG 4.15Å; F219-V299 HydrophobicContact CD1-CG1 4.42Å; F219-V299 HydrophobicContact CD2-CG1 3.64Å; F219-V299 HydrophobicContact CE1-CB 4.44Å; F219-V299 HydrophobicContact CE1-CG1 4.35Å; F219-V299 HydrophobicContact CE2-CB 4.43Å; F219-V299 HydrophobicContact CE2-CG1 3.57Å; F219-V299 HydrophobicContact CG-CG1 4.08Å; F219-V299 HydrophobicContact CZ-CB 4.31Å; F219-V299 HydrophobicContact CZ-CG1 3.94Å; F219-V299 HydrophobicContact CZ-CG2 4.43Å; F219-R300 HydrophobicContact CB-CG 4.03Å; F219-R300 PolarHBondContact O-NE 3.39Å; F219-R300 PolarHBondContact O-NH2 2.72Å; F219-R363 PolarHBondContact O-NH1 2.75Å
220E81.7Confident85Confident55 Ų5584 Ų8426%0.25739%0.391SS..Hα-helixtrans-94.5-47.1-177.1-161.762.7-161.700112.8W216 R300 R363W216-E220 HydrophobicContact CZ2-CB 4.44Å; W216-E220 HydrophobicContact CZ2-CG 4.01Å; W216-E220 WeakPolarHBondContact O-CB 3.45Å; W216-E220 PolarHBondContact O-N 3.5Å; E220-R300 IonicContact OE2-NE 2.73Å; E220-R363 IonicContact OE1-CZ 3.91Å; E220-R363 IonicContact OE1-NH1 3.86Å; E220-R363 IonicContact OE1-NH2 3.48Å; E220-R363 PolarHBondContact OE1-NH2 2.93Å; E220-R363 IonicContact OE2-CZ 2.61Å; E220-R363 VanDerWaalsContact OE2-CZ 3.26Å; E220-R363 IonicContact OE2-NH1 3.22Å; E220-R363 PolarHBondContact OE2-NH1 3.49Å; E220-R363 IonicContact OE2-NH2 3.87Å; E220-R363 PolarHBondContact OE2-NH2 3.43Å
221D74.6Confident85.5Confident73 Ų7376 Ų7639%0.3936%0.363SS..  trans-108.9108.2-177.1178.912.9000111.5A217 Y223 S224 A228A217-D221 PolarHBondContact O-N 3.46Å; D221-Y223 PolarHBondContact O-N 3.2Å; D221-Y223 VanDerWaalsContact O-N 3.16Å; D221-Y223 PolarHBondContact OD1-N 3.41Å; D221-S224 WeakPolarHBondContact O-CB 3.38Å; D221-S224 PolarHBondContact O-N 3Å; D221-S224 PolarHBondContact O-OG 3Å; D221-S224 PolarHBondContact OD2-N 2.95Å; D221-A228 WeakPolarHBondContact O-CB 3.48Å
222P78.6Confident85.7Confident27 Ų2773.2 Ų73.218%0.17535%0.351CS..THydrogen-bonded Turntrans-64.6-18.8179.327.9-35.2000113.5R229 A232P222-R229 VanDerWaalsContact O-CA 3.31Å; P222-R229 WeakPolarHBondContact O-CA 3.32Å; P222-R229 WeakPolarHBondContact O-CB 3.46Å; P222-R229 PolarHBondContact O-N 3.06Å; P222-R229 VanDerWaalsContact O-N 3.16Å; P222-A232 HydrophobicContact CB-CB 3.62Å
223Y74.8Confident85.8Confident164 Ų16476.8 Ų76.864%0.64337%0.366SS*.THydrogen-bonded Turntrans-95.5-4.9-178.8-55.2-75.1000113.2D221 S225D221-Y223 PolarHBondContact O-N 3.2Å; D221-Y223 VanDerWaalsContact O-N 3.16Å; D221-Y223 PolarHBondContact OD1-N 3.41Å; Y223-S225 VanDerWaalsContact C-N 3.31Å; Y223-S225 PolarHBondContact O-N 3.25Å
224S78Confident86.1Confident52 Ų5274 Ų7436%0.36435%0.35SS..SBendtrans-63.4-36.7-178.266.70000112.8A217 D221 A228A217-S224 PolarHBondContact O-OG 2.96Å; D221-S224 WeakPolarHBondContact O-CB 3.38Å; D221-S224 PolarHBondContact O-N 3Å; D221-S224 PolarHBondContact O-OG 3Å; D221-S224 PolarHBondContact OD2-N 2.95Å; S224-A228 WeakPolarHBondContact OG-CB 3.47Å
225S86.2Confident86.3Confident51 Ų5165.2 Ų65.236%0.35732%0.316SS..  trans-156.3164.2-179.4690000111.8Y223 A227 A228 R229Y223-S225 VanDerWaalsContact C-N 3.31Å; Y223-S225 PolarHBondContact O-N 3.25Å; S225-A227 PolarHBondContact O-N 3.32Å; S225-A228 WeakPolarHBondContact O-CB 3.49Å; S225-A228 PolarHBondContact O-N 3.03Å; S225-A228 WeakPolarHBondContact OG-CB 3.31Å; S225-A228 PolarHBondContact OG-N 2.76Å; S225-R229 PolarHBondContact O-N 3.23Å
226R87.7Confident86.4Confident237 Ų23765.9 Ų65.989%0.89432%0.32SS*.Hα-helixtrans-59.4-35.5172.7-65.8-177-177.8175.80.8111.9R229 F230R226-R229 PolarHBondContact O-N 3.07Å; R226-F230 PolarHBondContact O-N 3.21Å; R226-F230 VanDerWaalsContact O-N 3.07Å
227A91.6Very high86.6Confident55 Ų5569.5 Ų69.546%0.45534%0.338SS..Hα-helixtrans-68.9-40.4176.400000111.8L218 S225 R229 F230 I231L218-A227 HydrophobicContact CD1-CB 3.62Å; S225-A227 PolarHBondContact O-N 3.32Å; A227-R229 VanDerWaalsContact C-N 3.3Å; A227-R229 PolarHBondContact O-N 3.27Å; A227-F230 PolarHBondContact O-N 2.94Å; A227-I231 PolarHBondContact O-N 3.38Å
228A89Confident87.1Confident1 Ų169.7 Ų69.71%0.00833%0.332CS..Hα-helixtrans-59.7-43.6173.400000111.2L218 D221 S224 S225 F230 I231 A232L218-A228 HydrophobicContact CD1-CB 4.15Å; L218-A228 WeakPolarHBondContact O-CA 3.49Å; L218-A228 WeakPolarHBondContact O-CB 3.34Å; D221-A228 WeakPolarHBondContact O-CB 3.48Å; S224-A228 WeakPolarHBondContact OG-CB 3.47Å; S225-A228 WeakPolarHBondContact O-CB 3.49Å; S225-A228 PolarHBondContact O-N 3.03Å; S225-A228 WeakPolarHBondContact OG-CB 3.31Å; S225-A228 PolarHBondContact OG-N 2.76Å; A228-F230 VanDerWaalsContact C-N 3.33Å; A228-F230 PolarHBondContact O-N 3.16Å; A228-I231 PolarHBondContact O-N 3.42Å; A228-A232 WeakPolarHBondContact O-CB 3.29Å; A228-A232 PolarHBondContact O-N 2.89Å
229R88Confident87.3Confident145 Ų14568 Ų6855%0.54732%0.323SS..Hα-helixtrans-60.8-42.5176-165.4176-178169-1.4111.9P222 S225 R226 A227 A232 F233P222-R229 VanDerWaalsContact O-CA 3.31Å; P222-R229 WeakPolarHBondContact O-CA 3.32Å; P222-R229 WeakPolarHBondContact O-CB 3.46Å; P222-R229 PolarHBondContact O-N 3.06Å; P222-R229 VanDerWaalsContact O-N 3.16Å; S225-R229 PolarHBondContact O-N 3.23Å; R226-R229 PolarHBondContact O-N 3.07Å; A227-R229 VanDerWaalsContact C-N 3.3Å; A227-R229 PolarHBondContact O-N 3.27Å; R229-A232 PolarHBondContact O-N 3.33Å; R229-F233 HydrophobicContact CG-CD2 4.05Å; R229-F233 HydrophobicContact CG-CE2 3.81Å; R229-F233 WeakPolarHBondContact O-CD2 3.49Å; R229-F233 PolarHBondContact O-N 3.46Å
230F91.8Very high87.6Confident150 Ų15071.5 Ų71.566%0.65834%0.342SS*.Hα-helixtrans-63.8-45.6175.9-179.5-95.3000112.2R226 A227 A228 A232 F233 A234R226-F230 PolarHBondContact O-N 3.21Å; R226-F230 VanDerWaalsContact O-N 3.07Å; A227-F230 PolarHBondContact O-N 2.94Å; A228-F230 VanDerWaalsContact C-N 3.33Å; A228-F230 PolarHBondContact O-N 3.16Å; F230-A232 VanDerWaalsContact C-N 3.31Å; F230-A232 PolarHBondContact O-N 3.07Å; F230-F233 PolarHBondContact O-N 2.91Å; F230-A234 PolarHBondContact O-N 3.19Å
231I91.3Very high88.2Confident28 Ų2870.9 Ų70.914%0.14434%0.342CS..Hα-helixtrans-61.2-42176.4-73.6164.8000110.7L218 F219 A227 A228 F233 A234 S235L218-I231 HydrophobicContact CD1-CD1 3.78Å; L218-I231 HydrophobicContact CD2-CD1 3.59Å; L218-I231 HydrophobicContact CG-CD1 3.46Å; L218-I231 VanDerWaalsContact CG-CD1 3.46Å; F219-I231 HydrophobicContact CD1-CG2 4.16Å; F219-I231 HydrophobicContact CE1-CG2 4.03Å; F219-I231 HydrophobicContact CE2-CD1 4.17Å; F219-I231 HydrophobicContact CZ-CD1 4.34Å; F219-I231 HydrophobicContact CZ-CG2 4.38Å; A227-I231 PolarHBondContact O-N 3.38Å; A228-I231 PolarHBondContact O-N 3.42Å; I231-F233 VanDerWaalsContact C-N 3.33Å; I231-F233 PolarHBondContact O-N 3.13Å; I231-A234 WeakPolarHBondContact O-CB 3.15Å; I231-A234 PolarHBondContact O-N 2.98Å; I231-A234 VanDerWaalsContact O-N 3.16Å; I231-S235 WeakPolarHBondContact O-CB 3.5Å; I231-S235 PolarHBondContact O-N 3.45Å; I231-S235 PolarHBondContact O-OG 3.48Å
232A88.4Confident89Confident15 Ų1567.4 Ų67.412%0.12432%0.323CS..Hα-helixtrans-61.7-39.6175.300000112.7P222 A228 R229 F230 L236P222-A232 HydrophobicContact CB-CB 3.62Å; A228-A232 WeakPolarHBondContact O-CB 3.29Å; A228-A232 PolarHBondContact O-N 2.89Å; R229-A232 PolarHBondContact O-N 3.33Å; F230-A232 VanDerWaalsContact C-N 3.31Å; F230-A232 PolarHBondContact O-N 3.07Å; A232-L236 WeakPolarHBondContact O-CB 3.38Å; A232-L236 PolarHBondContact O-N 3.25Å
233F90.1Very high89.6Confident119 Ų11967.9 Ų67.952%0.52232%0.324SS..Hα-helixtrans-65.9-40172.3-83.6-65.8000112.5R229 F230 I231 L236 F237R229-F233 HydrophobicContact CG-CD2 4.05Å; R229-F233 HydrophobicContact CG-CE2 3.81Å; R229-F233 WeakPolarHBondContact O-CD2 3.49Å; R229-F233 PolarHBondContact O-N 3.46Å; F230-F233 PolarHBondContact O-N 2.91Å; I231-F233 VanDerWaalsContact C-N 3.33Å; I231-F233 PolarHBondContact O-N 3.13Å; F233-L236 PolarHBondContact O-N 2.84Å; F233-F237 WeakPolarHBondContact O-CB 3.35Å; F233-F237 PolarHBondContact O-N 3.27Å
234A92.8Very high90.5Very high19 Ų1963.9 Ų63.916%0.15732%0.316CS..Hα-helixtrans-63.5-47.2175.400000111.2F230 I231 L236 F237 F238 W292F230-A234 PolarHBondContact O-N 3.19Å; I231-A234 WeakPolarHBondContact O-CB 3.15Å; I231-A234 PolarHBondContact O-N 2.98Å; I231-A234 VanDerWaalsContact O-N 3.16Å; A234-L236 VanDerWaalsContact C-N 3.34Å; A234-L236 PolarHBondContact O-N 3.41Å; A234-F237 WeakPolarHBondContact O-CB 3.47Å; A234-F237 PolarHBondContact O-N 2.97Å; A234-F237 VanDerWaalsContact O-N 3.16Å; A234-F238 VanDerWaalsContact O-CD2 3.27Å; A234-F238 WeakPolarHBondContact O-CD2 3.5Å; A234-F238 PolarHBondContact O-N 3.21Å; A234-W292 HydrophobicContact CB-CH2 4Å; A234-W292 HydrophobicContact CB-CZ2 3.84Å
235S91.3Very high91.2Very high1 Ų161.8 Ų61.81%0.00730%0.301CS..Hα-helixtrans-57.7-45174-66.30000111.7I231 F237 F238 I239 E296I231-S235 WeakPolarHBondContact O-CB 3.5Å; I231-S235 PolarHBondContact O-N 3.45Å; I231-S235 PolarHBondContact O-OG 3.48Å; S235-F237 VanDerWaalsContact C-N 3.35Å; S235-F237 PolarHBondContact O-N 3.43Å; S235-F238 PolarHBondContact O-N 3.27Å; S235-I239 WeakPolarHBondContact O-CD1 3.5Å; S235-I239 WeakPolarHBondContact O-CG1 3.37Å; S235-I239 PolarHBondContact O-N 2.78Å; S235-E296 WeakPolarHBondContact CB-OE2 3.44Å; S235-E296 PolarHBondContact OG-OE2 3.35Å
236L90.4Very high91.3Very high55 Ų5561 Ų6129%0.28829%0.292SS..Hα-helixtrans-58.9-45174.8176.361000111.9A232 F233 A234 I239 L240 L361A232-L236 WeakPolarHBondContact O-CB 3.38Å; A232-L236 PolarHBondContact O-N 3.25Å; F233-L236 PolarHBondContact O-N 2.84Å; A234-L236 VanDerWaalsContact C-N 3.34Å; A234-L236 PolarHBondContact O-N 3.41Å; L236-I239 PolarHBondContact O-N 3.4Å; L236-L240 HydrophobicContact CD1-CD1 4.45Å; L236-L240 HydrophobicContact CD1-CG 4.39Å; L236-L240 HydrophobicContact CG-CD1 4.42Å; L236-L240 WeakPolarHBondContact O-CG 3.37Å; L236-L240 PolarHBondContact O-N 3.15Å; L236-L361 HydrophobicContact CD1-CD2 3.28Å
237F93.6Very high91.5Very high126 Ų12653 Ų5355%0.55327%0.272SS*.Hα-helixtrans-59.7-49.4177173-98.4000111.9F233 A234 S235 I239 L240 V241F233-F237 WeakPolarHBondContact O-CB 3.35Å; F233-F237 PolarHBondContact O-N 3.27Å; A234-F237 WeakPolarHBondContact O-CB 3.47Å; A234-F237 PolarHBondContact O-N 2.97Å; A234-F237 VanDerWaalsContact O-N 3.16Å; S235-F237 VanDerWaalsContact C-N 3.35Å; S235-F237 PolarHBondContact O-N 3.43Å; F237-I239 VanDerWaalsContact C-N 3.31Å; F237-I239 PolarHBondContact O-N 3.28Å; F237-L240 PolarHBondContact O-N 3.25Å; F237-L240 VanDerWaalsContact O-N 3.17Å; F237-V241 HydrophobicContact CD1-CG2 4.25Å; F237-V241 HydrophobicContact CD2-CG2 4.35Å; F237-V241 HydrophobicContact CE1-CG2 3.81Å; F237-V241 HydrophobicContact CE2-CG2 3.92Å; F237-V241 HydrophobicContact CZ-CG2 3.63Å; F237-V241 WeakPolarHBondContact O-CG2 3.27Å; F237-V241 PolarHBondContact O-N 3.47Å
238F94.1Very high91.6Very high40 Ų4053.2 Ų53.218%0.17527%0.265CS..Hα-helixtrans-63.2-35.3177.6-82.3-75.2000112.7A234 S235 S242 V288 W292 F293A234-F238 VanDerWaalsContact O-CD2 3.27Å; A234-F238 WeakPolarHBondContact O-CD2 3.5Å; A234-F238 PolarHBondContact O-N 3.21Å; S235-F238 PolarHBondContact O-N 3.27Å; F238-S242 WeakPolarHBondContact O-CB 3.33Å; F238-S242 PolarHBondContact O-N 2.91Å; F238-V288 HydrophobicContact CE1-CG1 4.09Å; F238-W292 HydrophobicContact CB-CG 4.18Å; F238-W292 HydrophobicContact CD1-CB 4.04Å; F238-W292 HydrophobicContact CD1-CG 4.17Å; F238-W292 HydrophobicContact CD2-CB 4.2Å; F238-W292 AromaticContact CD2-CD1 3.57Å; F238-W292 AromaticContact CD2-CD2 3.57Å; F238-W292 HydrophobicContact CD2-CD2 3.57Å; F238-W292 AromaticContact CD2-CE2 3.72Å; F238-W292 HydrophobicContact CD2-CE3 4.24Å; F238-W292 AromaticContact CD2-CG 3.49Å; F238-W292 HydrophobicContact CD2-CG 3.49Å; F238-W292 VanDerWaalsContact CD2-CG 3.49Å; F238-W292 HydrophobicContact CD2-CZ2 4.47Å; F238-W292 AromaticContact CD2-NE1 3.75Å; F238-W292 HydrophobicContact CE1-CB 4.18Å; F238-W292 HydrophobicContact CE1-CG 4.47Å; F238-W292 HydrophobicContact CE2-CB 4.34Å; F238-W292 AromaticContact CE2-CD2 3.66Å; F238-W292 HydrophobicContact CE2-CD2 3.66Å; F238-W292 AromaticContact CE2-CE3 3.85Å; F238-W292 HydrophobicContact CE2-CE3 3.85Å; F238-W292 AromaticContact CE2-CG 3.85Å; F238-W292 HydrophobicContact CE2-CG 3.85Å; F238-W292 HydrophobicContact CE2-CZ3 4.45Å; F238-W292 HydrophobicContact CG-CB 4.06Å; F238-W292 AromaticContact CG-CD1 3.6Å; F238-W292 HydrophobicContact CG-CD2 4.26Å; F238-W292 AromaticContact CG-CG 3.68Å; F238-W292 HydrophobicContact CG-CG 3.68Å; F238-W292 HydrophobicContact CZ-CB 4.33Å; F238-W292 HydrophobicContact CZ-CD2 4.4Å; F238-W292 HydrophobicContact CZ-CE3 4.45Å; F238-W292 HydrophobicContact CZ-CG 4.33Å; F238-F293 HydrophobicContact CB-CE1 3.87Å; F238-F293 HydrophobicContact CB-CZ 4.12Å
239I92.2Very high91.7Very high0 Ų054.2 Ų54.20%027%0.269CS..Hα-helixtrans-61.4-47.5172.9-67.4160.8000110.5S235 L236 F237 S242 I243 F293 K360 L361S235-I239 WeakPolarHBondContact O-CD1 3.5Å; S235-I239 WeakPolarHBondContact O-CG1 3.37Å; S235-I239 PolarHBondContact O-N 2.78Å; L236-I239 PolarHBondContact O-N 3.4Å; F237-I239 VanDerWaalsContact C-N 3.31Å; F237-I239 PolarHBondContact O-N 3.28Å; I239-S242 PolarHBondContact O-N 3.17Å; I239-I243 HydrophobicContact CG2-CD1 3.73Å; I239-I243 HydrophobicContact CG2-CG1 4.43Å; I239-I243 VanDerWaalsContact O-CG1 3.29Å; I239-I243 WeakPolarHBondContact O-CG1 3.35Å; I239-I243 PolarHBondContact O-N 3.29Å; I239-F293 HydrophobicContact CB-CZ 4.47Å; I239-F293 HydrophobicContact CG1-CE1 3.78Å; I239-F293 HydrophobicContact CG1-CZ 3.89Å; I239-K360 HydrophobicContact CD1-CB 3.53Å; I239-K360 HydrophobicContact CG1-CB 4.03Å; I239-K360 HydrophobicContact CG1-CD 4.41Å; I239-L361 HydrophobicContact CB-CD2 4.17Å; I239-L361 HydrophobicContact CD1-CD2 4.18Å; I239-L361 HydrophobicContact CG2-CD1 4.47Å; I239-L361 HydrophobicContact CG2-CD2 3.59Å; I239-L361 HydrophobicContact CG2-CG 3.8Å
240L92.6Very high91.7Very high89 Ų8952.1 Ų52.147%0.46627%0.273SS..Hα-helixtrans-63.2-47.6178.7-68.2175.8000111.9L236 F237 S242 I243 T244L236-L240 HydrophobicContact CD1-CD1 4.45Å; L236-L240 HydrophobicContact CD1-CG 4.39Å; L236-L240 HydrophobicContact CG-CD1 4.42Å; L236-L240 WeakPolarHBondContact O-CG 3.37Å; L236-L240 PolarHBondContact O-N 3.15Å; F237-L240 PolarHBondContact O-N 3.25Å; F237-L240 VanDerWaalsContact O-N 3.17Å; L240-S242 VanDerWaalsContact C-N 3.25Å; L240-S242 PolarHBondContact O-N 3.16Å; L240-I243 PolarHBondContact O-N 3.43Å; L240-T244 PolarHBondContact O-N 2.87Å; L240-T244 PolarHBondContact O-OG1 2.94Å; L240-T244 VanDerWaalsContact O-OG1 3.08Å
241V94.4Very high91.7Very high41 Ų4149.5 Ų49.525%0.24826%0.262CS..Hα-helixtrans-57.4-41.8176.9172.30000111.1F237 T244 T245 V285F237-V241 HydrophobicContact CD1-CG2 4.25Å; F237-V241 HydrophobicContact CD2-CG2 4.35Å; F237-V241 HydrophobicContact CE1-CG2 3.81Å; F237-V241 HydrophobicContact CE2-CG2 3.92Å; F237-V241 HydrophobicContact CZ-CG2 3.63Å; F237-V241 WeakPolarHBondContact O-CG2 3.27Å; F237-V241 PolarHBondContact O-N 3.47Å; V241-T244 PolarHBondContact O-N 2.76Å; V241-T245 WeakPolarHBondContact O-CB 3.45Å; V241-T245 PolarHBondContact O-N 3.44Å; V241-T245 PolarHBondContact O-OG1 3.06Å; V241-V285 HydrophobicContact CG1-CG1 3.64Å
242S92.2Very high91.7Very high0 Ų056 Ų560%029%0.292CS..Hα-helixtrans-70.2-39.4-179.7-173.30000113.2F238 I239 L240 T245 F246 E286 R357F238-S242 WeakPolarHBondContact O-CB 3.33Å; F238-S242 PolarHBondContact O-N 2.91Å; I239-S242 PolarHBondContact O-N 3.17Å; L240-S242 VanDerWaalsContact C-N 3.25Å; L240-S242 PolarHBondContact O-N 3.16Å; S242-T245 PolarHBondContact O-N 3.43Å; S242-F246 WeakPolarHBondContact O-CB 3.49Å; S242-F246 PolarHBondContact O-N 3.26Å; S242-E286 PolarHBondContact OG-OE2 2.86Å; S242-E286 VanDerWaalsContact OG-OE2 3.08Å; S242-R357 WeakPolarHBondContact OG-CD 3.28Å; S242-R357 VanDerWaalsContact OG-CZ 3.32Å; S242-R357 PolarHBondContact OG-NE 3.35Å; S242-R357 PolarHBondContact OG-NH1 2.99Å
243I91.3Very high91.9Very high38 Ų3858.7 Ų58.720%0.19532%0.315CS..Hα-helixtrans-63.5-44.7172.4-66.7164.2000110.2I239 L240 T245 F246 C247 R357 I358 L361I239-I243 HydrophobicContact CG2-CD1 3.73Å; I239-I243 HydrophobicContact CG2-CG1 4.43Å; I239-I243 VanDerWaalsContact O-CG1 3.29Å; I239-I243 WeakPolarHBondContact O-CG1 3.35Å; I239-I243 PolarHBondContact O-N 3.29Å; L240-I243 PolarHBondContact O-N 3.43Å; I243-T245 VanDerWaalsContact C-N 3.34Å; I243-T245 PolarHBondContact O-N 3.22Å; I243-F246 WeakPolarHBondContact O-CB 3.21Å; I243-F246 PolarHBondContact O-N 3.46Å; I243-C247 PolarHBondContact O-N 3.07Å; I243-C247 PolarHBondContact O-SG 3.16Å; I243-C247 VanDerWaalsContact O-SG 3.32Å; I243-R357 HydrophobicContact CG1-CG 4.2Å; I243-I358 HydrophobicContact CD1-CB 4.1Å; I243-I358 HydrophobicContact CD1-CD1 4.45Å; I243-I358 HydrophobicContact CD1-CG1 3.87Å; I243-L361 HydrophobicContact CD1-CD1 4.44Å
244T93.1Very high91.9Very high79 Ų7956.2 Ų56.249%0.48530%0.304SS..Hα-helixtrans-60-45.3176.1-60.20000111.1L240 V241 F246 C247 L248L240-T244 PolarHBondContact O-N 2.87Å; L240-T244 PolarHBondContact O-OG1 2.94Å; L240-T244 VanDerWaalsContact O-OG1 3.08Å; V241-T244 PolarHBondContact O-N 2.76Å; T244-F246 VanDerWaalsContact C-N 3.33Å; T244-F246 PolarHBondContact O-N 3.43Å; T244-C247 PolarHBondContact O-N 3.17Å; T244-L248 HydrophobicContact CG2-CD1 4.02Å; T244-L248 HydrophobicContact CG2-CG 4.25Å; T244-L248 VanDerWaalsContact O-CG 3.3Å; T244-L248 WeakPolarHBondContact O-CG 3.41Å; T244-L248 PolarHBondContact O-N 3.03Å
245T92.7Very high91.7Very high8 Ų857.1 Ų57.15%0.04931%0.306CS..Hα-helixtrans-59.7-43.7177.3-56.60000111.2V241 S242 I243 C247 L248 E249 L282 V285 E286V241-T245 WeakPolarHBondContact O-CB 3.45Å; V241-T245 PolarHBondContact O-N 3.44Å; V241-T245 PolarHBondContact O-OG1 3.06Å; S242-T245 PolarHBondContact O-N 3.43Å; I243-T245 VanDerWaalsContact C-N 3.34Å; I243-T245 PolarHBondContact O-N 3.22Å; T245-C247 PolarHBondContact O-N 2.81Å; T245-L248 PolarHBondContact O-N 3.08Å; T245-E249 WeakPolarHBondContact O-CB 3.22Å; T245-E249 PolarHBondContact O-N 3.2Å; T245-L282 HydrophobicContact CG2-CB 4.05Å; T245-L282 HydrophobicContact CG2-CD2 4.08Å; T245-L282 WeakPolarHBondContact CG2-O 2.74Å; T245-V285 HydrophobicContact CG2-CB 4.45Å; T245-V285 HydrophobicContact CG2-CG1 4.41Å; T245-V285 WeakPolarHBondContact OG1-CG1 2.76Å; T245-E286 HydrophobicContact CG2-CB 4.27Å
246F89.6Confident91.3Very high34 Ų3461 Ų6115%0.14933%0.326CS..Hα-helixtrans-60.7-43.6174.8174.3-106.8000112.4S242 I243 T244 E249 R354 I355S242-F246 WeakPolarHBondContact O-CB 3.49Å; S242-F246 PolarHBondContact O-N 3.26Å; I243-F246 WeakPolarHBondContact O-CB 3.21Å; I243-F246 PolarHBondContact O-N 3.46Å; T244-F246 VanDerWaalsContact C-N 3.33Å; T244-F246 PolarHBondContact O-N 3.43Å; F246-E249 PolarHBondContact O-N 2.61Å; F246-R354 HydrophobicContact CD2-CB 4.04Å; F246-R354 HydrophobicContact CE2-CB 4.16Å; F246-I355 HydrophobicContact CE1-CB 4.13Å; F246-I355 HydrophobicContact CE1-CD1 4.32Å; F246-I355 HydrophobicContact CE1-CG1 4.12Å; F246-I355 HydrophobicContact CZ-CB 4.29Å
247C92.2Very high91Very high70 Ų7062.4 Ų62.447%0.47334%0.336SS..Hα-helixtrans-63.4-44.5175.3-65.80000111.7I243 T244 T245 E249 T250I243-C247 PolarHBondContact O-N 3.07Å; I243-C247 PolarHBondContact O-SG 3.16Å; I243-C247 VanDerWaalsContact O-SG 3.32Å; T244-C247 PolarHBondContact O-N 3.17Å; T245-C247 PolarHBondContact O-N 2.81Å; C247-E249 PolarHBondContact O-N 3.46Å; C247-T250 PolarHBondContact O-N 3.4Å; C247-T250 PolarHBondContact O-OG1 2.88Å
248L93.6Very high90.2Very high60 Ų6061.1 Ų61.131%0.31433%0.331SS..Hα-helixtrans-67-34179.7-65.5179.4000112.7T244 T245 T250 H251 F254 L282T244-L248 HydrophobicContact CG2-CD1 4.02Å; T244-L248 HydrophobicContact CG2-CG 4.25Å; T244-L248 VanDerWaalsContact O-CG 3.3Å; T244-L248 WeakPolarHBondContact O-CG 3.41Å; T244-L248 PolarHBondContact O-N 3.03Å; T245-L248 PolarHBondContact O-N 3.08Å; L248-T250 PolarHBondContact O-N 3.48Å; L248-H251 WeakPolarHBondContact O-CB 3.21Å; L248-H251 PolarHBondContact O-N 3.21Å; L248-F254 HydrophobicContact CB-CD2 4.09Å; L248-F254 HydrophobicContact CB-CE2 4.13Å; L248-F254 HydrophobicContact CD1-CE2 4.47Å; L248-F254 HydrophobicContact CD1-CZ 4.45Å; L248-F254 HydrophobicContact CD2-CD2 4.44Å; L248-F254 HydrophobicContact CD2-CE2 3.79Å; L248-F254 HydrophobicContact CD2-CZ 4.45Å; L248-F254 HydrophobicContact CG-CE2 4.33Å; L248-F254 WeakPolarHBondContact O-CD2 3.47Å; L248-L282 HydrophobicContact CB-CD1 4.17Å; L248-L282 HydrophobicContact CB-CD2 4.12Å; L248-L282 HydrophobicContact CD1-CD2 4.32Å
249E89.1Confident89.3Confident21 Ų2164.1 Ų64.110%0.09835%0.349CS..Hα-helixtrans-58.6-27.8174.5172.2172.6-163.900112.2T245 F246 C247 N255 T278 L282 R351 R354T245-E249 WeakPolarHBondContact O-CB 3.22Å; T245-E249 PolarHBondContact O-N 3.2Å; F246-E249 PolarHBondContact O-N 2.61Å; C247-E249 PolarHBondContact O-N 3.46Å; E249-N255 PolarHBondContact O-ND2 3.05Å; E249-N255 PolarHBondContact O-OD1 3.27Å; E249-T278 HydrophobicContact CB-CG2 4.24Å; E249-T278 HydrophobicContact CG-CG2 3.86Å; E249-L282 HydrophobicContact CB-CD1 4.35Å; E249-R351 VanDerWaalsContact OE1-CD 3.26Å; E249-R351 WeakPolarHBondContact OE1-CD 3.49Å; E249-R351 IonicContact OE1-CZ 3.69Å; E249-R351 IonicContact OE1-NE 2.75Å; E249-R351 PolarHBondContact OE1-NE 2.91Å; E249-R351 IonicContact OE1-NH1 3.06Å; E249-R351 PolarHBondContact OE1-NH1 3.39Å; E249-R351 IonicContact OE1-NH2 2.71Å; E249-R354 IonicContact OE1-NH1 2.91Å; E249-R354 PolarHBondContact OE1-NH1 3.18Å; E249-R354 IonicContact OE2-NH1 3.13Å; E249-R354 PolarHBondContact OE2-NH1 3.23Å; E249-R354 VanDerWaalsContact OE2-NH1 3.17Å
250T88.8Confident88.2Confident102 Ų10268.7 Ų68.763%0.62637%0.368SS*.THydrogen-bonded Turntrans-86-13.2176.267.70000114.1C247 L248C247-T250 PolarHBondContact O-N 3.4Å; C247-T250 PolarHBondContact O-OG1 2.88Å; L248-T250 PolarHBondContact O-N 3.48Å
251H92.5Very high87Confident94 Ų9468.3 Ų68.344%0.43537%0.37SS..SBendtrans-79.4135.6-175.1-170-78.2000110.9L248 A253 F254 N255L248-H251 WeakPolarHBondContact O-CB 3.21Å; L248-H251 PolarHBondContact O-N 3.21Å; H251-A253 VanDerWaalsContact ND1-CB 3.25Å; H251-A253 WeakPolarHBondContact ND1-CB 3.33Å; H251-A253 PolarHBondContact ND1-N 3.2Å; H251-A253 VanDerWaalsContact ND1-N 3.12Å; H251-A253 PolarHBondContact O-N 2.91Å; H251-A253 VanDerWaalsContact O-N 3.15Å; H251-F254 HydrophobicContact CB-CD2 4.21Å; H251-F254 PolarHBondContact O-N 3.46Å; H251-N255 PolarHBondContact O-ND2 3.41Å
252E91.6Very high85.5Confident165 Ų16570.5 Ų70.577%0.77138%0.377SS*.G310 helixtrans-55-36-176.760.4-177.5-178.900113.3F254 N255E252-F254 PolarHBondContact O-N 2.9Å; E252-N255 PolarHBondContact O-N 3.4Å; E252-N255 VanDerWaalsContact O-N 3.08Å
253A91.4Very high84Confident72 Ų7275.7 Ų75.760%0.59541%0.411SS*.G310 helixtrans-60.3-25.9178.700000114.9H251H251-A253 VanDerWaalsContact ND1-CB 3.25Å; H251-A253 WeakPolarHBondContact ND1-CB 3.33Å; H251-A253 PolarHBondContact ND1-N 3.2Å; H251-A253 VanDerWaalsContact ND1-N 3.12Å; H251-A253 PolarHBondContact O-N 2.91Å; H251-A253 VanDerWaalsContact O-N 3.15Å
254F91.3Very high82.6Confident66 Ų6677.4 Ų77.429%0.28942%0.423SS..G310 helixtrans-102.71.8178.6-62.6-82.2000112.9L248 H251 E252 T278 D279 L282L248-F254 HydrophobicContact CB-CD2 4.09Å; L248-F254 HydrophobicContact CB-CE2 4.13Å; L248-F254 HydrophobicContact CD1-CE2 4.47Å; L248-F254 HydrophobicContact CD1-CZ 4.45Å; L248-F254 HydrophobicContact CD2-CD2 4.44Å; L248-F254 HydrophobicContact CD2-CE2 3.79Å; L248-F254 HydrophobicContact CD2-CZ 4.45Å; L248-F254 HydrophobicContact CG-CE2 4.33Å; L248-F254 WeakPolarHBondContact O-CD2 3.47Å; H251-F254 HydrophobicContact CB-CD2 4.21Å; H251-F254 PolarHBondContact O-N 3.46Å; E252-F254 PolarHBondContact O-N 2.9Å; F254-T278 WeakPolarHBondContact O-CA 2.99Å; F254-D279 HydrophobicContact CB-CB 4.47Å; F254-D279 HydrophobicContact CD1-CB 4.39Å; F254-D279 PolarHBondContact O-N 3.15Å; F254-L282 HydrophobicContact CB-CD1 3.67Å; F254-L282 HydrophobicContact CD1-CD1 4.04Å; F254-L282 HydrophobicContact CD1-CG 4.44Å; F254-L282 HydrophobicContact CG-CD1 3.85Å
255N88.7Confident81.1Confident39 Ų3981.6 Ų81.621%0.20944%0.441CS..EExtended strand (participates in β ladder)trans-106.693.5-178.8-81.7-38.3000109.2E249 H251 E252 I276 T278E249-N255 PolarHBondContact O-ND2 3.05Å; E249-N255 PolarHBondContact O-OD1 3.27Å; H251-N255 PolarHBondContact O-ND2 3.41Å; E252-N255 PolarHBondContact O-N 3.4Å; E252-N255 VanDerWaalsContact O-N 3.08Å; N255-I276 HydrophobicContact CB-CG2 3.58Å; N255-T278 PolarHBondContact OD1-OG1 3.5Å
256I82.9Confident79.7Confident82 Ų8288.7 Ų88.742%0.42148%0.479SS..EExtended strand (participates in β ladder)trans-84.6120.7-175.5-56.6171000108.7K258 E277I256-K258 HydrophobicContact CG2-CG 4.33Å; I256-K258 PolarHBondContact O-N 2.78Å; I256-E277 PolarHBondContact N-O 3.05Å; I256-E277 PolarHBondContact O-N 3.43Å
257V83.1Confident77.9Confident85 Ų8589 Ų8952%0.51549%0.491SS..EExtended strand (participates in β ladder)trans-76.6111.8174.1-174.80000108.8Y274 I276V257-Y274 HydrophobicContact CG1-CD1 3.82Å; V257-Y274 HydrophobicContact CG1-CG 4.38Å; V257-I276 HydrophobicContact CG2-CG1 4.46Å
258K77.5Confident76.5Confident99 Ų9993 Ų9343%0.4351%0.513SS..EExtended strand (participates in β ladder)trans-103.4138.6172.9-68.8-171-171.7163.50110.8I256 K260 E275 E277I256-K258 HydrophobicContact CG2-CG 4.33Å; I256-K258 PolarHBondContact O-N 2.78Å; K258-K260 PolarHBondContact O-N 3.31Å; K258-E275 PolarHBondContact N-O 3.01Å; K258-E275 PolarHBondContact O-N 2.91Å; K258-E277 WeakPolarHBondContact CD-OE2 3.15Å; K258-E277 VanDerWaalsContact CE-OE2 3.31Å; K258-E277 WeakPolarHBondContact CE-OE2 3.49Å; K258-E277 IonicContact NZ-OE2 2.67Å; K258-E277 PolarHBondContact NZ-OE2 2.65Å
259N75Confident74.9Confident103 Ų10393.7 Ų93.755%0.55152%0.524SS*.EExtended strand (participates in β ladder)trans-85.5107.1175.8-64.6-13000108.6L272 Y274N259-L272 HydrophobicContact CB-CD1 4.47Å; N259-L272 HydrophobicContact CB-CD2 4.4Å; N259-Y274 VanDerWaalsContact OD1-CD1 3.27Å; N259-Y274 WeakPolarHBondContact OD1-CD1 3.24Å; N259-Y274 VanDerWaalsContact OD1-CE1 3.26Å; N259-Y274 WeakPolarHBondContact OD1-CE1 3.05Å
260K68.8Low73.6Confident95 Ų9597.4 Ų97.441%0.41355%0.548SS..EExtended strand (participates in β ladder)trans-106.4134.8175.7-161.3176.5-174.4177.10110.2K258 Q273 E275K258-K260 PolarHBondContact O-N 3.31Å; K260-Q273 PolarHBondContact N-O 3.36Å; K260-Q273 PolarHBondContact O-N 2.71Å; K260-E275 VanDerWaalsContact CD-OE2 3.27Å; K260-E275 WeakPolarHBondContact CD-OE2 3.26Å; K260-E275 IonicContact NZ-OE2 2.78Å; K260-E275 PolarHBondContact NZ-OE2 3.49Å; K260-E275 VanDerWaalsContact NZ-OE2 3.15Å
261T67.1Low72.5Confident82 Ų8296.4 Ų96.450%0.50354%0.541SS..EExtended strand (participates in β ladder)trans-108.996.8-174.6-47.70000108.1V270T261-V270 HydrophobicContact CG2-CB 4.42Å; T261-V270 HydrophobicContact CG2-CG1 2.97Å
262E63.8Low71.1Confident86 Ų8695.7 Ų95.740%0.40254%0.54SS..EExtended strand (participates in β ladder)trans-90.8124.6174.1-73.3-159.7164.300110V264E262-V264 PolarHBondContact O-N 2.75Å
263P59.8Low69.9Low109 Ų10993.1 Ų93.171%0.70853%0.528SS*.EExtended strand (participates in β ladder)trans-71.5119.5171.728.2-31.3000109.3I265P263-I265 PolarHBondContact O-N 2.92Å
264V62.7Low68.8Low74 Ų7497 Ų9745%0.44853%0.528SS..PPolyproline II helixtrans-67.5122.1172.1-179.70000108.3E262 N266 G267 V271E262-V264 PolarHBondContact O-N 2.75Å; V264-N266 PolarHBondContact O-N 2.67Å; V264-G267 PolarHBondContact O-N 2.78Å; V264-V271 HydrophobicContact CG2-CB 4.43Å; V264-V271 HydrophobicContact CG2-CG2 3.76Å
265I61.2Low67.9Low167 Ų16797 Ų9786%0.85653%0.529SS*.THydrogen-bonded Turntrans-59.2-11.2-172.1-66.3171.9000113.8P263P263-I265 PolarHBondContact O-N 2.92Å
266N62.6Low67.4Low158 Ų158100.5 Ų100.585%0.84555%0.547SS*.THydrogen-bonded Turntrans-114.827.3-176.5-78.4-4000116.2V264V264-N266 PolarHBondContact O-N 2.67Å
267G52.9Low67.4Low40 Ų4099.9 Ų99.941%0.41254%0.542SS..SBendtrans118.6123.7158.600000114.9V264 S269V264-G267 PolarHBondContact O-N 2.78Å; G267-S269 PolarHBondContact O-N 2.75Å
268T61.4Low67.4Low153 Ų15397.2 Ų97.294%0.93953%0.526SS*.SBendtrans49-13.4162.546.50000120.6
269S60.3Low68Low76 Ų7694.8 Ų94.853%0.53152%0.518SS..  trans-93.1111.3-176.8-57.30000110G267G267-S269 PolarHBondContact O-N 2.75Å
270V62.1Low68.6Low99 Ų9993.5 Ų93.560%0.652%0.515SS*.EExtended strand (participates in β ladder)trans-85.8108.1172.3178.60000107.8T261T261-V270 HydrophobicContact CG2-CB 4.42Å; T261-V270 HydrophobicContact CG2-CG1 2.97Å
271V65.7Low69.8Low80 Ų8091.6 Ų91.649%0.48552%0.517SS..EExtended strand (participates in β ladder)trans-90.6117.6174.9-179.10000107.9V264 Q273V264-V271 HydrophobicContact CG2-CB 4.43Å; V264-V271 HydrophobicContact CG2-CG2 3.76Å; V271-Q273 PolarHBondContact O-N 3.42Å
272L63.4Low71Confident79 Ų7988.5 Ų88.541%0.41450%0.497SS..EExtended strand (participates in β ladder)trans-74.6111.5171.8-15594.9000107.7N259 Y274N259-L272 HydrophobicContact CB-CD1 4.47Å; N259-L272 HydrophobicContact CB-CD2 4.4Å; L272-Y274 HydrophobicContact CD2-CE1 3.86Å; L272-Y274 HydrophobicContact CD2-CE2 4.31Å
273Q65.4Low72.1Confident111 Ų11188.2 Ų88.252%0.51950%0.501SS..EExtended strand (participates in β ladder)trans-104.5120.4175.4-165.7169.3-28.500108.2K260 V271 E275K260-Q273 PolarHBondContact N-O 3.36Å; K260-Q273 PolarHBondContact O-N 2.71Å; V271-Q273 PolarHBondContact O-N 3.42Å; Q273-E275 PolarHBondContact O-N 3.22Å
274Y68.9Low73.7Confident155 Ų15591.6 Ų91.661%0.60850%0.501SS*.EExtended strand (participates in β ladder)trans-76.3117.7172.3-60.7-79.8000108.2V257 N259 L272V257-Y274 HydrophobicContact CG1-CD1 3.82Å; V257-Y274 HydrophobicContact CG1-CG 4.38Å; N259-Y274 VanDerWaalsContact OD1-CD1 3.27Å; N259-Y274 WeakPolarHBondContact OD1-CD1 3.24Å; N259-Y274 VanDerWaalsContact OD1-CE1 3.26Å; N259-Y274 WeakPolarHBondContact OD1-CE1 3.05Å; L272-Y274 HydrophobicContact CD2-CE1 3.86Å; L272-Y274 HydrophobicContact CD2-CE2 4.31Å
275E72.1Confident75.3Confident66 Ų6690.8 Ų90.831%0.30850%0.496SS..EExtended strand (participates in β ladder)trans-109.7122.1174.5-167.3164-161.600107.8K258 K260 Q273 E277K258-E275 PolarHBondContact N-O 3.01Å; K258-E275 PolarHBondContact O-N 2.91Å; K260-E275 VanDerWaalsContact CD-OE2 3.27Å; K260-E275 WeakPolarHBondContact CD-OE2 3.26Å; K260-E275 IonicContact NZ-OE2 2.78Å; K260-E275 PolarHBondContact NZ-OE2 3.49Å; K260-E275 VanDerWaalsContact NZ-OE2 3.15Å; Q273-E275 PolarHBondContact O-N 3.22Å; E275-E277 HydrophobicContact CG-CG 4.39Å; E275-E277 PolarHBondContact O-N 3.01Å
276I79Confident76.7Confident111 Ų11183 Ų8357%0.56946%0.457SS*.EExtended strand (participates in β ladder)trans-83.3109.4174.4-59.4172.9000106.5N255 V257N255-I276 HydrophobicContact CB-CG2 3.58Å; V257-I276 HydrophobicContact CG2-CG1 4.46Å
277E81.7Confident78.1Confident69 Ų6976.2 Ų76.232%0.32242%0.423SS..EExtended strand (participates in β ladder)trans-104.1130.6175.2-70.7-175.2-171.200109.7I256 K258 E275I256-E277 PolarHBondContact N-O 3.05Å; I256-E277 PolarHBondContact O-N 3.43Å; K258-E277 WeakPolarHBondContact CD-OE2 3.15Å; K258-E277 VanDerWaalsContact CE-OE2 3.31Å; K258-E277 WeakPolarHBondContact CE-OE2 3.49Å; K258-E277 IonicContact NZ-OE2 2.67Å; K258-E277 PolarHBondContact NZ-OE2 2.65Å; E275-E277 HydrophobicContact CG-CG 4.39Å; E275-E277 PolarHBondContact O-N 3.01Å
278T84.3Confident80.1Confident29 Ų2978.4 Ų78.418%0.17843%0.429CS..EExtended strand (participates in β ladder)trans-71.3144.4173.5-52.40000110.1E249 F254 N255 L282E249-T278 HydrophobicContact CB-CG2 4.24Å; E249-T278 HydrophobicContact CG-CG2 3.86Å; F254-T278 WeakPolarHBondContact O-CA 2.99Å; N255-T278 PolarHBondContact OD1-OG1 3.5Å; T278-L282 HydrophobicContact CG2-CB 4.2Å; T278-L282 HydrophobicContact CG2-CD1 3.86Å
279D88.9Confident81.7Confident49 Ų4971.2 Ų71.226%0.26238%0.384SS..  trans-50.6125.7174.7-170.2-42.9000111.2F254 A281 L282F254-D279 HydrophobicContact CB-CB 4.47Å; F254-D279 HydrophobicContact CD1-CB 4.39Å; F254-D279 PolarHBondContact O-N 3.15Å; D279-A281 PolarHBondContact O-N 3.25Å; D279-A281 VanDerWaalsContact O-N 3.09Å; D279-A281 VanDerWaalsContact OD1-CB 3.26Å; D279-A281 WeakPolarHBondContact OD1-CB 3.42Å; D279-A281 PolarHBondContact OD1-N 2.86Å; D279-L282 PolarHBondContact O-N 3.1Å
280P89.2Confident83.3Confident76 Ų7667.6 Ų67.649%0.49436%0.359SS..Hα-helixtrans-56.8-27.2-178.923.4-35.2000113.5L282 T283 Y284P280-L282 VanDerWaalsContact C-N 3.3Å; P280-L282 PolarHBondContact O-N 3.47Å; P280-T283 WeakPolarHBondContact O-CB 3.23Å; P280-T283 PolarHBondContact O-N 3.21Å; P280-Y284 HydrophobicContact CB-CE2 4.38Å; P280-Y284 WeakPolarHBondContact O-CD2 3.1Å; P280-Y284 PolarHBondContact O-N 2.8Å
281A93Very high84.9Confident54 Ų5467.4 Ų67.445%0.44636%0.358SS..Hα-helixtrans-58.6-40.9176.600000112.1D279 T283 Y284 V285D279-A281 PolarHBondContact O-N 3.25Å; D279-A281 VanDerWaalsContact O-N 3.09Å; D279-A281 VanDerWaalsContact OD1-CB 3.26Å; D279-A281 WeakPolarHBondContact OD1-CB 3.42Å; D279-A281 PolarHBondContact OD1-N 2.86Å; A281-T283 VanDerWaalsContact C-N 3.34Å; A281-T283 PolarHBondContact O-N 3.4Å; A281-Y284 PolarHBondContact O-N 3.36Å; A281-V285 WeakPolarHBondContact O-CG2 2.83Å; A281-V285 PolarHBondContact O-N 3.32Å
282L92.3Very high86.3Confident18 Ų1866 Ų669%0.09434%0.344CS..Hα-helixtrans-66.8-37.4177.7-64.2179.4000111.3T245 L248 E249 F254 T278 D279 P280 V285 E286T245-L282 HydrophobicContact CG2-CB 4.05Å; T245-L282 HydrophobicContact CG2-CD2 4.08Å; T245-L282 WeakPolarHBondContact CG2-O 2.74Å; L248-L282 HydrophobicContact CB-CD1 4.17Å; L248-L282 HydrophobicContact CB-CD2 4.12Å; L248-L282 HydrophobicContact CD1-CD2 4.32Å; E249-L282 HydrophobicContact CB-CD1 4.35Å; F254-L282 HydrophobicContact CB-CD1 3.67Å; F254-L282 HydrophobicContact CD1-CD1 4.04Å; F254-L282 HydrophobicContact CD1-CG 4.44Å; F254-L282 HydrophobicContact CG-CD1 3.85Å; T278-L282 HydrophobicContact CG2-CB 4.2Å; T278-L282 HydrophobicContact CG2-CD1 3.86Å; D279-L282 PolarHBondContact O-N 3.1Å; P280-L282 VanDerWaalsContact C-N 3.3Å; P280-L282 PolarHBondContact O-N 3.47Å; L282-V285 PolarHBondContact O-N 3.06Å; L282-E286 WeakPolarHBondContact O-CB 3.08Å; L282-E286 PolarHBondContact O-N 2.96Å
283T88.1Confident87.8Confident80 Ų8062.2 Ų62.249%0.49132%0.324SS..Hα-helixtrans-63.5-40.8175-49.70000111.9P280 A281 G287P280-T283 WeakPolarHBondContact O-CB 3.23Å; P280-T283 PolarHBondContact O-N 3.21Å; A281-T283 VanDerWaalsContact C-N 3.34Å; A281-T283 PolarHBondContact O-N 3.4Å; T283-G287 PolarHBondContact O-N 2.85Å
284Y92.9Very high89.2Confident179 Ų17957.9 Ų57.970%0.70231%0.305SS*.Hα-helixtrans-64.5-45175.2-77.1-68.6000112.2P280 A281 E286 G287 V288P280-Y284 HydrophobicContact CB-CE2 4.38Å; P280-Y284 WeakPolarHBondContact O-CD2 3.1Å; P280-Y284 PolarHBondContact O-N 2.8Å; A281-Y284 PolarHBondContact O-N 3.36Å; Y284-E286 VanDerWaalsContact C-N 3.34Å; Y284-E286 PolarHBondContact O-N 3Å; Y284-G287 PolarHBondContact O-N 3.13Å; Y284-V288 WeakPolarHBondContact O-CG2 3.44Å; Y284-V288 PolarHBondContact O-N 2.95Å
285V95Very high90.4Very high57 Ų5755.5 Ų55.535%0.34530%0.298SS..Hα-helixtrans-62-43.3178174.60000111.1V241 T245 A281 L282 G287 V288 C289V241-V285 HydrophobicContact CG1-CG1 3.64Å; T245-V285 HydrophobicContact CG2-CB 4.45Å; T245-V285 HydrophobicContact CG2-CG1 4.41Å; T245-V285 WeakPolarHBondContact OG1-CG1 2.76Å; A281-V285 WeakPolarHBondContact O-CG2 2.83Å; A281-V285 PolarHBondContact O-N 3.32Å; L282-V285 PolarHBondContact O-N 3.06Å; V285-G287 VanDerWaalsContact C-N 3.35Å; V285-G287 PolarHBondContact O-N 3.04Å; V285-V288 PolarHBondContact O-N 3.27Å; V285-C289 PolarHBondContact O-N 3.41Å; V285-C289 PolarHBondContact O-SG 3.19Å
286E91.6Very high91.4Very high5 Ų552.4 Ų52.42%0.02328%0.284CS..Hα-helixtrans-61.3-43.9174.4176.764.4-177.200111.1S242 T245 L282 Y284 V288 C289 V290 F326 R354 R357S242-E286 PolarHBondContact OG-OE2 2.86Å; S242-E286 VanDerWaalsContact OG-OE2 3.08Å; T245-E286 HydrophobicContact CG2-CB 4.27Å; L282-E286 WeakPolarHBondContact O-CB 3.08Å; L282-E286 PolarHBondContact O-N 2.96Å; Y284-E286 VanDerWaalsContact C-N 3.34Å; Y284-E286 PolarHBondContact O-N 3Å; E286-V288 VanDerWaalsContact C-N 3.33Å; E286-V288 PolarHBondContact O-N 2.92Å; E286-C289 WeakPolarHBondContact O-CB 3.49Å; E286-C289 PolarHBondContact O-N 3.4Å; E286-V290 HydrophobicContact CG-CG2 4.38Å; E286-V290 WeakPolarHBondContact O-CG2 3.45Å; E286-V290 PolarHBondContact O-N 3.38Å; E286-F326 HydrophobicContact CG-CD2 4.07Å; E286-F326 HydrophobicContact CG-CE2 4.41Å; E286-R354 IonicContact OE1-NE 2.68Å; E286-R357 VanDerWaalsContact CD-NH1 3.33Å; E286-R357 IonicContact OE1-CZ 2.65Å; E286-R357 IonicContact OE1-NH1 3.8Å; E286-R357 PolarHBondContact OE1-NH1 3.31Å; E286-R357 IonicContact OE1-NH2 3.35Å; E286-R357 PolarHBondContact OE1-NH2 3.01Å; E286-R357 IonicContact OE2-CZ 2.74Å; E286-R357 IonicContact OE2-NH1 3.59Å; E286-R357 PolarHBondContact OE2-NH1 3.42Å; E286-R357 VanDerWaalsContact OE2-NH1 3.14Å
287G92.4Very high92.1Very high14 Ų1448 Ų4814%0.14426%0.261CS..Hα-helixtrans-56.8-44174.800000112.7T283 Y284 V285 V290 V291T283-G287 PolarHBondContact O-N 2.85Å; Y284-G287 PolarHBondContact O-N 3.13Å; V285-G287 VanDerWaalsContact C-N 3.35Å; V285-G287 PolarHBondContact O-N 3.04Å; G287-V290 PolarHBondContact O-N 3.2Å; G287-V291 VanDerWaalsContact O-CG2 3.27Å; G287-V291 WeakPolarHBondContact O-CG2 3.29Å; G287-V291 PolarHBondContact O-N 3.32Å
288V95.3Very high92.6Very high87 Ų8749.4 Ų49.453%0.52727%0.27SS..Hα-helixtrans-63.3-43.6175.9175.90000111.3F238 Y284 V285 E286 V290 V291 W292F238-V288 HydrophobicContact CE1-CG1 4.09Å; Y284-V288 WeakPolarHBondContact O-CG2 3.44Å; Y284-V288 PolarHBondContact O-N 2.95Å; V285-V288 PolarHBondContact O-N 3.27Å; E286-V288 VanDerWaalsContact C-N 3.33Å; E286-V288 PolarHBondContact O-N 2.92Å; V288-V290 PolarHBondContact O-N 3.39Å; V288-V291 PolarHBondContact O-N 2.89Å; V288-W292 PolarHBondContact O-N 3.48Å
289C95.1Very high93Very high1 Ų148.9 Ų48.91%0.00727%0.266CS..Hα-helixtrans-61.5-43.9176.1-63.50000111.8V285 E286 W292 F293V285-C289 PolarHBondContact O-N 3.41Å; V285-C289 PolarHBondContact O-SG 3.19Å; E286-C289 WeakPolarHBondContact O-CB 3.49Å; E286-C289 PolarHBondContact O-N 3.4Å; C289-W292 WeakPolarHBondContact O-CB 3.3Å; C289-W292 PolarHBondContact O-N 3.43Å; C289-F293 HydrophobicContact CB-CE2 4.18Å; C289-F293 VanDerWaalsContact O-CD2 3.29Å; C289-F293 WeakPolarHBondContact O-CD2 3.36Å; C289-F293 WeakPolarHBondContact O-CG 3.31Å; C289-F293 PolarHBondContact O-N 3.42Å
290V93.7Very high93.1Very high0 Ų046.7 Ų46.70%025%0.254CS..Hα-helixtrans-66.4-38.8178.6172.70000111.2E286 G287 V288 W292 F293 T294 F326 Y327E286-V290 HydrophobicContact CG-CG2 4.38Å; E286-V290 WeakPolarHBondContact O-CG2 3.45Å; E286-V290 PolarHBondContact O-N 3.38Å; G287-V290 PolarHBondContact O-N 3.2Å; V288-V290 PolarHBondContact O-N 3.39Å; V290-W292 VanDerWaalsContact C-N 3.32Å; V290-W292 PolarHBondContact O-N 2.95Å; V290-F293 PolarHBondContact O-N 3.16Å; V290-T294 VanDerWaalsContact O-CB 3.28Å; V290-T294 WeakPolarHBondContact O-CB 3.49Å; V290-T294 PolarHBondContact O-N 2.92Å; V290-T294 PolarHBondContact O-OG1 3.31Å; V290-F326 HydrophobicContact CB-CB 4.42Å; V290-F326 HydrophobicContact CB-CD1 4.13Å; V290-F326 HydrophobicContact CB-CD2 4.47Å; V290-F326 HydrophobicContact CB-CG 4.09Å; V290-F326 HydrophobicContact CG1-CB 4.01Å; V290-F326 HydrophobicContact CG1-CD1 3.62Å; V290-F326 HydrophobicContact CG1-CE1 4.27Å; V290-F326 HydrophobicContact CG1-CG 3.87Å; V290-F326 HydrophobicContact CG2-CB 3.78Å; V290-F326 HydrophobicContact CG2-CD1 4.33Å; V290-F326 HydrophobicContact CG2-CD2 3.99Å; V290-F326 HydrophobicContact CG2-CG 3.78Å; V290-Y327 HydrophobicContact CG1-CD2 4.44Å; V290-Y327 HydrophobicContact CG1-CE2 3.81Å
291V95.2Very high93.3Very high95 Ų9545.6 Ų45.658%0.57624%0.244SC*.Hα-helixtrans-58.9-45.6173.2167.90000110.5G287 V288 T294 F295G287-V291 VanDerWaalsContact O-CG2 3.27Å; G287-V291 WeakPolarHBondContact O-CG2 3.29Å; G287-V291 PolarHBondContact O-N 3.32Å; V288-V291 PolarHBondContact O-N 2.89Å; V291-T294 PolarHBondContact O-N 3.45Å; V291-F295 WeakPolarHBondContact O-CB 3.48Å; V291-F295 PolarHBondContact O-N 3Å
292W95.3Very high93.3Very high51 Ų5146.2 Ų46.219%0.19324%0.242CC..Hα-helixtrans-60.5-49.3175174.4-94000112.3A234 F238 V288 C289 V290 T294 F295 E296A234-W292 HydrophobicContact CB-CH2 4Å; A234-W292 HydrophobicContact CB-CZ2 3.84Å; F238-W292 HydrophobicContact CB-CG 4.18Å; F238-W292 HydrophobicContact CD1-CB 4.04Å; F238-W292 HydrophobicContact CD1-CG 4.17Å; F238-W292 HydrophobicContact CD2-CB 4.2Å; F238-W292 AromaticContact CD2-CD1 3.57Å; F238-W292 AromaticContact CD2-CD2 3.57Å; F238-W292 HydrophobicContact CD2-CD2 3.57Å; F238-W292 AromaticContact CD2-CE2 3.72Å; F238-W292 HydrophobicContact CD2-CE3 4.24Å; F238-W292 AromaticContact CD2-CG 3.49Å; F238-W292 HydrophobicContact CD2-CG 3.49Å; F238-W292 VanDerWaalsContact CD2-CG 3.49Å; F238-W292 HydrophobicContact CD2-CZ2 4.47Å; F238-W292 AromaticContact CD2-NE1 3.75Å; F238-W292 HydrophobicContact CE1-CB 4.18Å; F238-W292 HydrophobicContact CE1-CG 4.47Å; F238-W292 HydrophobicContact CE2-CB 4.34Å; F238-W292 AromaticContact CE2-CD2 3.66Å; F238-W292 HydrophobicContact CE2-CD2 3.66Å; F238-W292 AromaticContact CE2-CE3 3.85Å; F238-W292 HydrophobicContact CE2-CE3 3.85Å; F238-W292 AromaticContact CE2-CG 3.85Å; F238-W292 HydrophobicContact CE2-CG 3.85Å; F238-W292 HydrophobicContact CE2-CZ3 4.45Å; F238-W292 HydrophobicContact CG-CB 4.06Å; F238-W292 AromaticContact CG-CD1 3.6Å; F238-W292 HydrophobicContact CG-CD2 4.26Å; F238-W292 AromaticContact CG-CG 3.68Å; F238-W292 HydrophobicContact CG-CG 3.68Å; F238-W292 HydrophobicContact CZ-CB 4.33Å; F238-W292 HydrophobicContact CZ-CD2 4.4Å; F238-W292 HydrophobicContact CZ-CE3 4.45Å; F238-W292 HydrophobicContact CZ-CG 4.33Å; V288-W292 PolarHBondContact O-N 3.48Å; C289-W292 WeakPolarHBondContact O-CB 3.3Å; C289-W292 PolarHBondContact O-N 3.43Å; V290-W292 VanDerWaalsContact C-N 3.32Å; V290-W292 PolarHBondContact O-N 2.95Å; W292-T294 VanDerWaalsContact C-N 3.31Å; W292-T294 PolarHBondContact O-N 3.39Å; W292-F295 WeakPolarHBondContact O-CB 3.46Å; W292-F295 PolarHBondContact O-N 3.17Å; W292-E296 PolarHBondContact NE1-OE2 3.02Å; W292-E296 WeakPolarHBondContact O-CB 3.29Å; W292-E296 PolarHBondContact O-N 2.94Å
293F93.9Very high93.2Very high0 Ų046.5 Ų46.50%024%0.242CC..Hα-helixtrans-65.3-34.7179.2-62.7-33.6000113F238 I239 C289 V290 E296 F297 I323 K360F238-F293 HydrophobicContact CB-CE1 3.87Å; F238-F293 HydrophobicContact CB-CZ 4.12Å; I239-F293 HydrophobicContact CB-CZ 4.47Å; I239-F293 HydrophobicContact CG1-CE1 3.78Å; I239-F293 HydrophobicContact CG1-CZ 3.89Å; C289-F293 HydrophobicContact CB-CE2 4.18Å; C289-F293 VanDerWaalsContact O-CD2 3.29Å; C289-F293 WeakPolarHBondContact O-CD2 3.36Å; C289-F293 WeakPolarHBondContact O-CG 3.31Å; C289-F293 PolarHBondContact O-N 3.42Å; V290-F293 PolarHBondContact O-N 3.16Å; F293-E296 PolarHBondContact O-N 3.31Å; F293-F297 WeakPolarHBondContact O-CB 3.37Å; F293-F297 PolarHBondContact O-N 3.4Å; F293-I323 HydrophobicContact CB-CG2 3.55Å; F293-K360 HydrophobicContact CD1-CD 4.44Å
294T94.6Very high93.2Very high20 Ų2043 Ų4312%0.12322%0.222CC..Hα-helixtrans-64.9-46.2174.5-54.30000109.8V290 V291 W292 E296 F297 L298 Y327V290-T294 VanDerWaalsContact O-CB 3.28Å; V290-T294 WeakPolarHBondContact O-CB 3.49Å; V290-T294 PolarHBondContact O-N 2.92Å; V290-T294 PolarHBondContact O-OG1 3.31Å; V291-T294 PolarHBondContact O-N 3.45Å; W292-T294 VanDerWaalsContact C-N 3.31Å; W292-T294 PolarHBondContact O-N 3.39Å; T294-E296 PolarHBondContact O-N 3.28Å; T294-F297 PolarHBondContact O-N 2.96Å; T294-L298 HydrophobicContact CG2-CD1 3.85Å; T294-L298 HydrophobicContact CG2-CG 4.15Å; T294-L298 VanDerWaalsContact O-CB 3.32Å; T294-L298 WeakPolarHBondContact O-CB 3.41Å; T294-L298 VanDerWaalsContact O-CG 3.23Å; T294-L298 WeakPolarHBondContact O-CG 3.33Å; T294-L298 PolarHBondContact O-N 3.39Å; T294-Y327 WeakPolarHBondContact CB-OH 3.25Å; T294-Y327 HydrophobicContact CG2-CE2 4.33Å; T294-Y327 WeakPolarHBondContact CG2-OH 3.11Å; T294-Y327 WeakPolarHBondContact OG1-CE2 3.38Å; T294-Y327 PolarHBondContact OG1-OH 3.02Å
295F94.8Very high92.9Very high104 Ų10437.6 Ų37.646%0.45621%0.208SC..Hα-helixtrans-58.4-49.1175.3169.9-103.6000111.4F219 V291 W292 F297 L298 V299F219-F295 HydrophobicContact CE1-CE1 4.31Å; F219-F295 AromaticContact CZ-CE1 3.87Å; F219-F295 HydrophobicContact CZ-CE1 3.87Å; F219-F295 HydrophobicContact CZ-CZ 4.34Å; V291-F295 WeakPolarHBondContact O-CB 3.48Å; V291-F295 PolarHBondContact O-N 3Å; W292-F295 WeakPolarHBondContact O-CB 3.46Å; W292-F295 PolarHBondContact O-N 3.17Å; F295-F297 VanDerWaalsContact C-N 3.34Å; F295-F297 PolarHBondContact O-N 3.49Å; F295-L298 PolarHBondContact O-N 3.35Å; F295-V299 HydrophobicContact CD2-CG2 4.05Å; F295-V299 HydrophobicContact CE1-CG2 4.35Å; F295-V299 HydrophobicContact CE2-CG2 3.67Å; F295-V299 HydrophobicContact CZ-CG2 3.84Å; F295-V299 WeakPolarHBondContact O-CB 3.49Å; F295-V299 VanDerWaalsContact O-CG2 3.27Å; F295-V299 WeakPolarHBondContact O-CG2 3.43Å; F295-V299 PolarHBondContact O-N 3.07Å
296E93.1Very high92.6Very high1 Ų139.2 Ų39.21%0.00522%0.215CC..Hα-helixtrans-56.6-46.8176.9-171.3-175.6130.700111.7F219 S235 W292 F293 T294 R300 K360F219-E296 HydrophobicContact CD1-CG 3.95Å; F219-E296 HydrophobicContact CE1-CB 4.43Å; F219-E296 HydrophobicContact CE1-CG 4.15Å; S235-E296 WeakPolarHBondContact CB-OE2 3.44Å; S235-E296 PolarHBondContact OG-OE2 3.35Å; W292-E296 PolarHBondContact NE1-OE2 3.02Å; W292-E296 WeakPolarHBondContact O-CB 3.29Å; W292-E296 PolarHBondContact O-N 2.94Å; F293-E296 PolarHBondContact O-N 3.31Å; T294-E296 PolarHBondContact O-N 3.28Å; E296-R300 VanDerWaalsContact CD-NH2 3.32Å; E296-R300 WeakPolarHBondContact O-CG 3.46Å; E296-R300 PolarHBondContact O-N 3.45Å; E296-R300 VanDerWaalsContact O-N 3.15Å; E296-R300 IonicContact OE1-CZ 3.26Å; E296-R300 IonicContact OE1-NH1 2.75Å; E296-R300 PolarHBondContact OE1-NH1 3.35Å; E296-R300 IonicContact OE1-NH2 3.88Å; E296-R300 PolarHBondContact OE1-NH2 3.23Å; E296-K360 IonicContact OE1-NZ 3.79Å; E296-K360 PolarHBondContact OE1-NZ 3.06Å
297F92.8Very high92.6Very high20 Ų2045.4 Ų45.49%0.08824%0.242CC..Hα-helixtrans-67.7-43179.7-176.3-109.6000112.8F293 T294 F295 R300 I301 F310 D319 F320 I323F293-F297 WeakPolarHBondContact O-CB 3.37Å; F293-F297 PolarHBondContact O-N 3.4Å; T294-F297 PolarHBondContact O-N 2.96Å; F295-F297 VanDerWaalsContact C-N 3.34Å; F295-F297 PolarHBondContact O-N 3.49Å; F297-R300 PolarHBondContact O-N 3.38Å; F297-I301 HydrophobicContact CD1-CD1 3.67Å; F297-I301 HydrophobicContact CD2-CD1 4.45Å; F297-I301 HydrophobicContact CE1-CD1 3.12Å; F297-I301 HydrophobicContact CE1-CG1 4.26Å; F297-I301 HydrophobicContact CE2-CD1 3.99Å; F297-I301 HydrophobicContact CE2-CG1 4.43Å; F297-I301 HydrophobicContact CG-CD1 4.31Å; F297-I301 HydrophobicContact CZ-CD1 3.31Å; F297-I301 HydrophobicContact CZ-CG1 4.2Å; F297-I301 WeakPolarHBondContact O-CG1 3.27Å; F297-I301 PolarHBondContact O-N 2.99Å; F297-F310 HydrophobicContact CD2-CZ 4.42Å; F297-F310 AromaticContact CE2-CE1 3.93Å; F297-F310 HydrophobicContact CE2-CE1 3.93Å; F297-F310 HydrophobicContact CE2-CZ 4.19Å; F297-F310 HydrophobicContact CZ-CE1 4.41Å; F297-D319 HydrophobicContact CD2-CB 3.95Å; F297-D319 HydrophobicContact CE2-CB 4.32Å; F297-F320 HydrophobicContact CE1-CB 4.35Å; F297-F320 AromaticContact CE1-CD2 3.61Å; F297-F320 HydrophobicContact CE1-CD2 3.61Å; F297-F320 HydrophobicContact CE1-CE2 4.45Å; F297-F320 HydrophobicContact CE1-CG 4.42Å; F297-F320 HydrophobicContact CE2-CB 3.86Å; F297-F320 HydrophobicContact CZ-CB 3.59Å; F297-F320 AromaticContact CZ-CD2 3.62Å; F297-F320 HydrophobicContact CZ-CD2 3.62Å; F297-F320 AromaticContact CZ-CG 3.98Å; F297-F320 HydrophobicContact CZ-CG 3.98Å; F297-I323 HydrophobicContact CD1-CD1 3.95Å; F297-I323 HydrophobicContact CE1-CD1 4.46Å; F297-I323 HydrophobicContact CG-CD1 4.38Å
298L93.7Very high92.5Very high98 Ų9851.3 Ų51.351%0.51327%0.269SS..Hα-helixtrans-63.3-45.5177.7-74.7175.5000111.5T294 F295 R300 I301 V302T294-L298 HydrophobicContact CG2-CD1 3.85Å; T294-L298 HydrophobicContact CG2-CG 4.15Å; T294-L298 VanDerWaalsContact O-CB 3.32Å; T294-L298 WeakPolarHBondContact O-CB 3.41Å; T294-L298 VanDerWaalsContact O-CG 3.23Å; T294-L298 WeakPolarHBondContact O-CG 3.33Å; T294-L298 PolarHBondContact O-N 3.39Å; F295-L298 PolarHBondContact O-N 3.35Å; L298-R300 VanDerWaalsContact C-N 3.31Å; L298-R300 PolarHBondContact O-N 3.48Å; L298-I301 PolarHBondContact O-N 3.23Å; L298-V302 WeakPolarHBondContact O-CB 3.4Å; L298-V302 WeakPolarHBondContact O-CG2 3.42Å; L298-V302 PolarHBondContact O-N 3.38Å
299V93Very high92.1Very high17 Ų1750.9 Ų50.910%0.10326%0.262CS..Hα-helixtrans-59.3-45176.91730000110.2M215 F219 F295 V302 F303M215-V299 HydrophobicContact CE-CG1 3.86Å; F219-V299 HydrophobicContact CD1-CG1 4.42Å; F219-V299 HydrophobicContact CD2-CG1 3.64Å; F219-V299 HydrophobicContact CE1-CB 4.44Å; F219-V299 HydrophobicContact CE1-CG1 4.35Å; F219-V299 HydrophobicContact CE2-CB 4.43Å; F219-V299 HydrophobicContact CE2-CG1 3.57Å; F219-V299 HydrophobicContact CG-CG1 4.08Å; F219-V299 HydrophobicContact CZ-CB 4.31Å; F219-V299 HydrophobicContact CZ-CG1 3.94Å; F219-V299 HydrophobicContact CZ-CG2 4.43Å; F295-V299 HydrophobicContact CD2-CG2 4.05Å; F295-V299 HydrophobicContact CE1-CG2 4.35Å; F295-V299 HydrophobicContact CE2-CG2 3.67Å; F295-V299 HydrophobicContact CZ-CG2 3.84Å; F295-V299 WeakPolarHBondContact O-CB 3.49Å; F295-V299 VanDerWaalsContact O-CG2 3.27Å; F295-V299 WeakPolarHBondContact O-CG2 3.43Å; F295-V299 PolarHBondContact O-N 3.07Å; V299-V302 PolarHBondContact O-N 3.22Å; V299-F303 HydrophobicContact CG1-CD2 3.72Å; V299-F303 HydrophobicContact CG1-CE2 4.01Å; V299-F303 WeakPolarHBondContact O-CD2 3.25Å; V299-F303 PolarHBondContact O-N 2.92Å
300R91.3Very high91.8Very high3 Ų351.3 Ų51.31%0.01126%0.263CS..Hα-helixtrans-61.8-45.4176.7-74.3-178.4-175.2139.912.9113.1W216 F219 E220 E296 F297 L298 V302 S304 F310 D319 R363W216-R300 HydrophobicContact CZ3-CB 4.31Å; W216-R300 WeakPolarHBondContact CZ3-O 3.46Å; F219-R300 HydrophobicContact CB-CG 4.03Å; F219-R300 PolarHBondContact O-NE 3.39Å; F219-R300 PolarHBondContact O-NH2 2.72Å; E220-R300 IonicContact OE2-NE 2.73Å; E296-R300 VanDerWaalsContact CD-NH2 3.32Å; E296-R300 WeakPolarHBondContact O-CG 3.46Å; E296-R300 PolarHBondContact O-N 3.45Å; E296-R300 VanDerWaalsContact O-N 3.15Å; E296-R300 IonicContact OE1-CZ 3.26Å; E296-R300 IonicContact OE1-NH1 2.75Å; E296-R300 PolarHBondContact OE1-NH1 3.35Å; E296-R300 IonicContact OE1-NH2 3.88Å; E296-R300 PolarHBondContact OE1-NH2 3.23Å; F297-R300 PolarHBondContact O-N 3.38Å; L298-R300 VanDerWaalsContact C-N 3.31Å; L298-R300 PolarHBondContact O-N 3.48Å; R300-V302 PolarHBondContact O-N 3.24Å; R300-S304 VanDerWaalsContact O-CB 3.28Å; R300-S304 WeakPolarHBondContact O-CB 3.42Å; R300-S304 PolarHBondContact O-N 3.2Å; R300-F310 HydrophobicContact CB-CE2 3.74Å; R300-F310 HydrophobicContact CB-CZ 3.87Å; R300-D319 IonicContact NH1-OD2 3.2Å; R300-D319 PolarHBondContact NH1-OD2 2.84Å; R300-R363 VanDerWaalsContact NE-CZ 3.35Å; R300-R363 VanDerWaalsContact NH2-NH1 3.15Å
301I91.9Very high91.6Very high53 Ų5356.7 Ų56.727%0.27229%0.291SS..Hα-helixtrans-62.7-43.4177.1-74174.7000111.5F297 L298 F310F297-I301 HydrophobicContact CD1-CD1 3.67Å; F297-I301 HydrophobicContact CD2-CD1 4.45Å; F297-I301 HydrophobicContact CE1-CD1 3.12Å; F297-I301 HydrophobicContact CE1-CG1 4.26Å; F297-I301 HydrophobicContact CE2-CD1 3.99Å; F297-I301 HydrophobicContact CE2-CG1 4.43Å; F297-I301 HydrophobicContact CG-CD1 4.31Å; F297-I301 HydrophobicContact CZ-CD1 3.31Å; F297-I301 HydrophobicContact CZ-CG1 4.2Å; F297-I301 WeakPolarHBondContact O-CG1 3.27Å; F297-I301 PolarHBondContact O-N 2.99Å; L298-I301 PolarHBondContact O-N 3.23Å; I301-F310 HydrophobicContact CB-CE1 4.46Å; I301-F310 HydrophobicContact CD1-CE1 4.05Å; I301-F310 HydrophobicContact CG1-CD1 3.83Å; I301-F310 HydrophobicContact CG1-CE1 3.24Å; I301-F310 HydrophobicContact CG1-CZ 3.79Å
302V92.5Very high91.3Very high67 Ų6760.5 Ų60.541%0.40630%0.3SS..Hα-helixtrans-66.3-42-175.6169.40000111W208 L298 V299 R300W208-V302 HydrophobicContact CH2-CG1 4.47Å; W208-V302 VanDerWaalsContact CH2-O 3.24Å; W208-V302 WeakPolarHBondContact CH2-O 3.48Å; W208-V302 HydrophobicContact CZ2-CG1 3.77Å; L298-V302 WeakPolarHBondContact O-CB 3.4Å; L298-V302 WeakPolarHBondContact O-CG2 3.42Å; L298-V302 PolarHBondContact O-N 3.38Å; V299-V302 PolarHBondContact O-N 3.22Å; R300-V302 PolarHBondContact O-N 3.24Å
303F91.4Very high90.8Very high24 Ų2460.8 Ų60.811%0.10531%0.305CS..Hα-helixtrans-96.50-175.8-63.3-67.3000114.9W208 L211 Q212 M215 W216 V299W208-F303 HydrophobicContact CH2-CD1 4.46Å; W208-F303 HydrophobicContact CZ2-CD1 4.17Å; W208-F303 HydrophobicContact CZ2-CE1 4.13Å; L211-F303 HydrophobicContact CD2-CE1 4.33Å; L211-F303 HydrophobicContact CD2-CZ 4.37Å; L211-F303 HydrophobicContact CG-CE1 4.39Å; Q212-F303 HydrophobicContact CB-CD1 4.25Å; Q212-F303 HydrophobicContact CG-CB 4.39Å; Q212-F303 HydrophobicContact CG-CD1 4.36Å; Q212-F303 VanDerWaalsContact CG-O 3.28Å; Q212-F303 WeakPolarHBondContact CG-O 3.2Å; Q212-F303 PolarHBondContact NE2-O 2.99Å; M215-F303 HydrophobicContact CB-CB 4.2Å; M215-F303 HydrophobicContact CB-CD1 4Å; M215-F303 HydrophobicContact CB-CD2 3.57Å; M215-F303 HydrophobicContact CB-CE1 4.23Å; M215-F303 HydrophobicContact CB-CE2 3.86Å; M215-F303 HydrophobicContact CB-CG 3.65Å; M215-F303 HydrophobicContact CB-CZ 4.16Å; M215-F303 HydrophobicContact CE-CD2 4.41Å; M215-F303 HydrophobicContact CE-CE2 3.95Å; M215-F303 HydrophobicContact CG-CD1 4.46Å; M215-F303 HydrophobicContact CG-CD2 4.19Å; M215-F303 HydrophobicContact CG-CE1 4.19Å; M215-F303 HydrophobicContact CG-CE2 3.94Å; M215-F303 HydrophobicContact CG-CG 4.44Å; M215-F303 HydrophobicContact CG-CZ 3.92Å; W216-F303 HydrophobicContact CB-CB 4.48Å; V299-F303 HydrophobicContact CG1-CD2 3.72Å; V299-F303 HydrophobicContact CG1-CE2 4.01Å; V299-F303 WeakPolarHBondContact O-CD2 3.25Å; V299-F303 PolarHBondContact O-N 2.92Å
304S87.9Confident90.3Very high8 Ų866.3 Ų66.36%0.05633%0.334CS..  trans-61.4135175173.60000111.5Q212 R300 N306Q212-S304 PolarHBondContact NE2-O 3.06Å; R300-S304 VanDerWaalsContact O-CB 3.28Å; R300-S304 WeakPolarHBondContact O-CB 3.42Å; R300-S304 PolarHBondContact O-N 3.2Å; S304-N306 PolarHBondContact OG-N 3.26Å; S304-N306 PolarHBondContact OG-O 3.14Å
305P86.9Confident89.7Confident64 Ų6467 Ų6742%0.41634%0.337SS..SBendtrans-65.2-43.117725.5-32.8000111.8
306N89.4Confident89.4Confident92 Ų9262.3 Ų62.349%0.49232%0.316SS..  trans-125.699.4-175.6-70.2-30.4000110.9S304 L308 E309 F310S304-N306 PolarHBondContact OG-N 3.26Å; S304-N306 PolarHBondContact OG-O 3.14Å; N306-L308 VanDerWaalsContact C-N 3.29Å; N306-L308 PolarHBondContact O-N 2.85Å; N306-E309 HydrophobicContact CB-CB 3.78Å; N306-E309 PolarHBondContact ND2-OE2 3.03Å; N306-E309 VanDerWaalsContact ND2-OE2 3.09Å; N306-E309 PolarHBondContact O-N 3.49Å; N306-F310 PolarHBondContact O-N 3.29Å
307K89.9Confident89.2Confident134 Ų13465.8 Ų65.858%0.58333%0.334SS*.Hα-helixtrans-61.1-33.7-177.3-62-178.6-178.9-1780113.8F310 I311K307-F310 WeakPolarHBondContact O-CB 3.29Å; K307-F310 PolarHBondContact O-N 2.96Å; K307-I311 VanDerWaalsContact O-CG1 3.28Å; K307-I311 WeakPolarHBondContact O-CG1 3.3Å; K307-I311 PolarHBondContact O-N 3.37Å
308L90.4Very high88.9Confident138 Ų13866.2 Ų66.272%0.72334%0.337SS*.Hα-helixtrans-69.9-40.4178.2-70.7174.1000112.2N306 F310 I311 K312N306-L308 VanDerWaalsContact C-N 3.29Å; N306-L308 PolarHBondContact O-N 2.85Å; L308-F310 VanDerWaalsContact C-N 3.33Å; L308-I311 PolarHBondContact O-N 3.35Å; L308-K312 WeakPolarHBondContact O-CG 3.32Å; L308-K312 PolarHBondContact O-N 3.45Å; L308-K312 VanDerWaalsContact O-N 3.07Å
309E88.1Confident88.6Confident79 Ų7961.7 Ų61.737%0.36931%0.314SS..Hα-helixtrans-66.6-40174.6-173.8172.8-169.300110.6T171 N306 I311 K312 N313T171-E309 WeakPolarHBondContact CG2-OE1 3.44Å; N306-E309 HydrophobicContact CB-CB 3.78Å; N306-E309 PolarHBondContact ND2-OE2 3.03Å; N306-E309 VanDerWaalsContact ND2-OE2 3.09Å; N306-E309 PolarHBondContact O-N 3.49Å; E309-I311 PolarHBondContact O-N 3.31Å; E309-K312 PolarHBondContact O-N 3Å; E309-N313 PolarHBondContact O-N 3.2Å; E309-N313 VanDerWaalsContact O-N 3.07Å
310F88.4Confident88.5Confident10 Ų1065.5 Ų65.54%0.04433%0.329CS..Hα-helixtrans-56.8-48.1173.1-175-88.4000112.4W216 F297 R300 I301 N306 K307 L308 K312 N313 N316W216-F310 AromaticContact CH2-CD2 3.84Å; W216-F310 HydrophobicContact CH2-CD2 3.84Å; W216-F310 HydrophobicContact CH2-CE2 4.11Å; W216-F310 HydrophobicContact CZ3-CD2 4.06Å; W216-F310 HydrophobicContact CZ3-CE2 4.11Å; F297-F310 HydrophobicContact CD2-CZ 4.42Å; F297-F310 AromaticContact CE2-CE1 3.93Å; F297-F310 HydrophobicContact CE2-CE1 3.93Å; F297-F310 HydrophobicContact CE2-CZ 4.19Å; F297-F310 HydrophobicContact CZ-CE1 4.41Å; R300-F310 HydrophobicContact CB-CE2 3.74Å; R300-F310 HydrophobicContact CB-CZ 3.87Å; I301-F310 HydrophobicContact CB-CE1 4.46Å; I301-F310 HydrophobicContact CD1-CE1 4.05Å; I301-F310 HydrophobicContact CG1-CD1 3.83Å; I301-F310 HydrophobicContact CG1-CE1 3.24Å; I301-F310 HydrophobicContact CG1-CZ 3.79Å; N306-F310 PolarHBondContact O-N 3.29Å; K307-F310 WeakPolarHBondContact O-CB 3.29Å; K307-F310 PolarHBondContact O-N 2.96Å; L308-F310 VanDerWaalsContact C-N 3.33Å; F310-K312 VanDerWaalsContact C-N 3.33Å; F310-K312 PolarHBondContact O-N 3.02Å; F310-N313 PolarHBondContact O-N 3.1Å; F310-N316 HydrophobicContact CD1-CB 4.21Å; F310-N316 WeakPolarHBondContact CD2-ND2 3.34Å; F310-N316 HydrophobicContact CE1-CB 3.78Å; F310-N316 HydrophobicContact CE2-CB 4.12Å; F310-N316 WeakPolarHBondContact CE2-ND2 3.35Å; F310-N316 WeakPolarHBondContact CE2-OD1 3.41Å; F310-N316 HydrophobicContact CZ-CB 3.74Å; F310-N316 VanDerWaalsContact CZ-CG 3.43Å; F310-N316 VanDerWaalsContact O-CB 3.31Å; F310-N316 WeakPolarHBondContact O-CB 3.15Å; F310-N316 PolarHBondContact O-ND2 2.91Å
311I90.4Very high88.3Confident113 Ų11367.3 Ų67.358%0.57934%0.34SS*.Hα-helixtrans-68-32-179.8-68.5166.1000111.8K307 L308 E309 N313 I317K307-I311 VanDerWaalsContact O-CG1 3.28Å; K307-I311 WeakPolarHBondContact O-CG1 3.3Å; K307-I311 PolarHBondContact O-N 3.37Å; L308-I311 PolarHBondContact O-N 3.35Å; E309-I311 PolarHBondContact O-N 3.31Å; I311-N313 VanDerWaalsContact C-N 3.35Å; I311-I317 WeakPolarHBondContact O-CD1 3.29Å; I311-I317 VanDerWaalsContact O-CG1 3.3Å; I311-I317 WeakPolarHBondContact O-CG1 3.29Å
312K88.2Confident88.1Confident175 Ų17564.8 Ų64.876%0.76133%0.327SS*.Hα-helixtrans-76.8-19.1177.5-74.8179.1175.3-1780113.7L308 E309 F310 L314L308-K312 WeakPolarHBondContact O-CG 3.32Å; L308-K312 PolarHBondContact O-N 3.45Å; L308-K312 VanDerWaalsContact O-N 3.07Å; E309-K312 PolarHBondContact O-N 3Å; F310-K312 VanDerWaalsContact C-N 3.33Å; F310-K312 PolarHBondContact O-N 3.02Å; K312-L314 PolarHBondContact O-N 3.28Å
313N83.7Confident88Confident56 Ų5662 Ų6230%0.29931%0.31SS..  trans-72.1121.6-178.5-176.3-18.6000111.1E309 F310 I311 L315 N316 I317E309-N313 PolarHBondContact O-N 3.2Å; E309-N313 VanDerWaalsContact O-N 3.07Å; F310-N313 PolarHBondContact O-N 3.1Å; I311-N313 VanDerWaalsContact C-N 3.35Å; N313-L315 PolarHBondContact O-N 3.44Å; N313-L315 PolarHBondContact OD1-N 3.37Å; N313-N316 HydrophobicContact CB-CB 4.44Å; N313-N316 WeakPolarHBondContact CB-ND2 3.45Å; N313-N316 PolarHBondContact O-N 3Å; N313-I317 PolarHBondContact O-N 3.2Å
314L84.2Confident87.8Confident116 Ų11663.8 Ų63.861%0.60732%0.32SS*.Hα-helixtrans-53.6-38.1-178.7-177.664.7000112.9K312 N316 I317 I318K312-L314 PolarHBondContact O-N 3.28Å; L314-N316 VanDerWaalsContact C-N 3.31Å; L314-N316 PolarHBondContact O-N 3.45Å; L314-I317 PolarHBondContact O-N 2.84Å; L314-I318 HydrophobicContact CD1-CD1 4.41Å; L314-I318 HydrophobicContact CG-CD1 4.02Å; L314-I318 VanDerWaalsContact O-CG1 3.29Å; L314-I318 WeakPolarHBondContact O-CG1 3.24Å; L314-I318 PolarHBondContact O-N 2.96Å
315L82.3Confident87.6Confident35 Ų3563.7 Ų63.718%0.18332%0.319CS..Hα-helixtrans-64.6-37.4179.8-61.3-179.6000111.8N313 I318 D319 T362N313-L315 PolarHBondContact O-N 3.44Å; N313-L315 PolarHBondContact OD1-N 3.37Å; L315-I318 PolarHBondContact O-N 3.42Å; L315-D319 PolarHBondContact O-N 2.58Å; L315-T362 VanDerWaalsContact CD2-OG1 3.24Å; L315-T362 WeakPolarHBondContact CD2-OG1 3.24Å
316N88Confident87.6Confident5 Ų562.5 Ų62.53%0.02731%0.308CS..Hα-helixtrans-77.6-31.4178.9-61.2-30.6000111.9F310 N313 L314 D319 F320F310-N316 HydrophobicContact CD1-CB 4.21Å; F310-N316 WeakPolarHBondContact CD2-ND2 3.34Å; F310-N316 HydrophobicContact CE1-CB 3.78Å; F310-N316 HydrophobicContact CE2-CB 4.12Å; F310-N316 WeakPolarHBondContact CE2-ND2 3.35Å; F310-N316 WeakPolarHBondContact CE2-OD1 3.41Å; F310-N316 HydrophobicContact CZ-CB 3.74Å; F310-N316 VanDerWaalsContact CZ-CG 3.43Å; F310-N316 VanDerWaalsContact O-CB 3.31Å; F310-N316 WeakPolarHBondContact O-CB 3.15Å; F310-N316 PolarHBondContact O-ND2 2.91Å; N313-N316 HydrophobicContact CB-CB 4.44Å; N313-N316 WeakPolarHBondContact CB-ND2 3.45Å; N313-N316 PolarHBondContact O-N 3Å; L314-N316 VanDerWaalsContact C-N 3.31Å; L314-N316 PolarHBondContact O-N 3.45Å; N316-D319 WeakPolarHBondContact O-CB 3.44Å; N316-D319 PolarHBondContact O-N 3.06Å; N316-F320 PolarHBondContact O-N 3.28Å
317I88.4Confident87.5Confident75 Ų7563.1 Ų63.139%0.38530%0.304SS..Hα-helixtrans-62.9-45.8170.9-63.9171000109.8I311 N313 L314 D319 F320 V321I311-I317 WeakPolarHBondContact O-CD1 3.29Å; I311-I317 VanDerWaalsContact O-CG1 3.3Å; I311-I317 WeakPolarHBondContact O-CG1 3.29Å; N313-I317 PolarHBondContact O-N 3.2Å; L314-I317 PolarHBondContact O-N 2.84Å; I317-D319 VanDerWaalsContact C-N 3.32Å; I317-D319 PolarHBondContact O-N 3.11Å; I317-F320 PolarHBondContact O-N 3.38Å; I317-V321 HydrophobicContact CG2-CG2 4.18Å; I317-V321 WeakPolarHBondContact O-CB 3.31Å; I317-V321 VanDerWaalsContact O-CG2 3.3Å; I317-V321 WeakPolarHBondContact O-CG2 3.16Å; I317-V321 PolarHBondContact O-N 2.96Å
318I86.5Confident87.2Confident29 Ų2959.7 Ų59.715%0.14929%0.292CS..Hα-helixtrans-58.4-45.1175.4-71.9165.6000110.6L314 L315 F320 V321 A322 F359L314-I318 HydrophobicContact CD1-CD1 4.41Å; L314-I318 HydrophobicContact CG-CD1 4.02Å; L314-I318 VanDerWaalsContact O-CG1 3.29Å; L314-I318 WeakPolarHBondContact O-CG1 3.24Å; L314-I318 PolarHBondContact O-N 2.96Å; L315-I318 PolarHBondContact O-N 3.42Å; I318-F320 VanDerWaalsContact C-N 3.33Å; I318-F320 PolarHBondContact O-N 3.08Å; I318-V321 PolarHBondContact O-N 3.26Å; I318-A322 VanDerWaalsContact O-CB 3.31Å; I318-A322 WeakPolarHBondContact O-CB 3.41Å; I318-A322 PolarHBondContact O-N 3.29Å; I318-F359 HydrophobicContact CD1-CB 4.03Å; I318-F359 HydrophobicContact CG2-CB 3.59Å
319D88.3Confident86.7Confident3 Ų356 Ų562%0.01627%0.271CS..Hα-helixtrans-57.7-43.7176.1-79.7-6000112.5F297 R300 L315 N316 I317 K360F297-D319 HydrophobicContact CD2-CB 3.95Å; F297-D319 HydrophobicContact CE2-CB 4.32Å; R300-D319 IonicContact NH1-OD2 3.2Å; R300-D319 PolarHBondContact NH1-OD2 2.84Å; L315-D319 PolarHBondContact O-N 2.58Å; N316-D319 WeakPolarHBondContact O-CB 3.44Å; N316-D319 PolarHBondContact O-N 3.06Å; I317-D319 VanDerWaalsContact C-N 3.32Å; I317-D319 PolarHBondContact O-N 3.11Å; D319-K360 VanDerWaalsContact OD1-CG 3.29Å; D319-K360 WeakPolarHBondContact OD1-CG 3.09Å; D319-K360 IonicContact OD1-NZ 2.72Å; D319-K360 PolarHBondContact OD1-NZ 3.09Å; D319-K360 IonicContact OD2-NZ 3.39Å; D319-K360 PolarHBondContact OD2-NZ 3.49Å
320F90.4Very high86.4Confident97 Ų9756.2 Ų56.243%0.42528%0.277SS..Hα-helixtrans-67.8-47.9178.3179.5-110.8000112.4F297 N316 I317 I318 A322 I323 L324F297-F320 HydrophobicContact CE1-CB 4.35Å; F297-F320 AromaticContact CE1-CD2 3.61Å; F297-F320 HydrophobicContact CE1-CD2 3.61Å; F297-F320 HydrophobicContact CE1-CE2 4.45Å; F297-F320 HydrophobicContact CE1-CG 4.42Å; F297-F320 HydrophobicContact CE2-CB 3.86Å; F297-F320 HydrophobicContact CZ-CB 3.59Å; F297-F320 AromaticContact CZ-CD2 3.62Å; F297-F320 HydrophobicContact CZ-CD2 3.62Å; F297-F320 AromaticContact CZ-CG 3.98Å; F297-F320 HydrophobicContact CZ-CG 3.98Å; N316-F320 PolarHBondContact O-N 3.28Å; I317-F320 PolarHBondContact O-N 3.38Å; I318-F320 VanDerWaalsContact C-N 3.33Å; I318-F320 PolarHBondContact O-N 3.08Å; F320-A322 PolarHBondContact O-N 3.05Å; F320-I323 WeakPolarHBondContact O-CG1 3.43Å; F320-I323 PolarHBondContact O-N 3.22Å; F320-L324 HydrophobicContact CE1-CD2 4.48Å; F320-L324 HydrophobicContact CZ-CD1 4.25Å; F320-L324 PolarHBondContact O-N 2.89Å; F320-L324 VanDerWaalsContact O-N 3.12Å
321V88Confident86.1Confident40 Ų4058 Ų5824%0.24230%0.298CS..Hα-helixtrans-63.8-28.9179.9173.10000111.1I317 I318 P325 V353 L356I317-V321 HydrophobicContact CG2-CG2 4.18Å; I317-V321 WeakPolarHBondContact O-CB 3.31Å; I317-V321 VanDerWaalsContact O-CG2 3.3Å; I317-V321 WeakPolarHBondContact O-CG2 3.16Å; I317-V321 PolarHBondContact O-N 2.96Å; I318-V321 PolarHBondContact O-N 3.26Å; V321-P325 WeakPolarHBondContact O-CD 3.42Å; V321-V353 HydrophobicContact CG1-CG1 3.33Å; V321-L356 HydrophobicContact CG1-CD1 3.82Å
322A87Confident85.5Confident1 Ų154.1 Ų54.11%0.00828%0.279CS..Hα-helixtrans-67.8-33.9176.200000113.9I318 F320 R357 K360I318-A322 VanDerWaalsContact O-CB 3.31Å; I318-A322 WeakPolarHBondContact O-CB 3.41Å; I318-A322 PolarHBondContact O-N 3.29Å; F320-A322 PolarHBondContact O-N 3.05Å; A322-R357 HydrophobicContact CB-CB 3.81Å; A322-K360 HydrophobicContact CB-CD 4.37Å
323I89.1Confident84.8Confident9 Ų949.8 Ų49.85%0.04627%0.271CS..Hα-helixtrans-88.8-24.7179.361.8170.2000113F293 F297 F320 F326 Y327F293-I323 HydrophobicContact CB-CG2 3.55Å; F297-I323 HydrophobicContact CD1-CD1 3.95Å; F297-I323 HydrophobicContact CE1-CD1 4.46Å; F297-I323 HydrophobicContact CG-CD1 4.38Å; F320-I323 WeakPolarHBondContact O-CG1 3.43Å; F320-I323 PolarHBondContact O-N 3.22Å; I323-F326 PolarHBondContact O-N 3.48Å; I323-Y327 HydrophobicContact CB-CE2 4.42Å; I323-Y327 HydrophobicContact CD1-CE2 4.48Å; I323-Y327 WeakPolarHBondContact O-CD2 3.24Å
324L87.8Confident84.1Confident60 Ų6050.4 Ų50.431%0.31429%0.29SS..Hα-helixtrans-55.7-44.2-173.7-178.168.6000114.1F320 F326 Y327 L328F320-L324 HydrophobicContact CE1-CD2 4.48Å; F320-L324 HydrophobicContact CZ-CD1 4.25Å; F320-L324 PolarHBondContact O-N 2.89Å; F320-L324 VanDerWaalsContact O-N 3.12Å; L324-F326 VanDerWaalsContact C-N 3.28Å; L324-F326 PolarHBondContact O-N 3.4Å; L324-Y327 PolarHBondContact O-N 2.74Å; L324-L328 HydrophobicContact CD1-CD1 4.15Å; L324-L328 HydrophobicContact CD1-CD2 4.33Å; L324-L328 HydrophobicContact CD1-CG 3.97Å; L324-L328 HydrophobicContact CD2-CD1 4.21Å; L324-L328 HydrophobicContact CG-CD1 3.76Å; L324-L328 HydrophobicContact CG-CG 4.02Å; L324-L328 WeakPolarHBondContact O-CG 3.39Å; L324-L328 PolarHBondContact O-N 2.94Å
325P83.6Confident83.6Confident6 Ų649.5 Ų49.54%0.03929%0.285CS..Hα-helixtrans-57.6-37.5-178.4-27.935.3000114V321 E329 V350 V353 R354V321-P325 WeakPolarHBondContact O-CD 3.42Å; P325-E329 WeakPolarHBondContact O-CB 3.28Å; P325-E329 PolarHBondContact O-N 3.27Å; P325-V350 HydrophobicContact CB-CG1 4.07Å; P325-V350 HydrophobicContact CG-CG1 4.02Å; P325-V353 HydrophobicContact CG-CB 4.05Å; P325-V353 HydrophobicContact CG-CG1 4.24Å; P325-R354 HydrophobicContact CB-CG 4.07Å; P325-R354 HydrophobicContact CG-CG 4.31Å
326F86.6Confident82.8Confident40 Ų4053.8 Ų53.818%0.17532%0.318CS..Hα-helixtrans-67.6-47-179.8-177.5-88.9000111.4E286 V290 I323 L324 L328 E329 V330E286-F326 HydrophobicContact CG-CD2 4.07Å; E286-F326 HydrophobicContact CG-CE2 4.41Å; V290-F326 HydrophobicContact CB-CB 4.42Å; V290-F326 HydrophobicContact CB-CD1 4.13Å; V290-F326 HydrophobicContact CB-CD2 4.47Å; V290-F326 HydrophobicContact CB-CG 4.09Å; V290-F326 HydrophobicContact CG1-CB 4.01Å; V290-F326 HydrophobicContact CG1-CD1 3.62Å; V290-F326 HydrophobicContact CG1-CE1 4.27Å; V290-F326 HydrophobicContact CG1-CG 3.87Å; V290-F326 HydrophobicContact CG2-CB 3.78Å; V290-F326 HydrophobicContact CG2-CD1 4.33Å; V290-F326 HydrophobicContact CG2-CD2 3.99Å; V290-F326 HydrophobicContact CG2-CG 3.78Å; I323-F326 PolarHBondContact O-N 3.48Å; L324-F326 VanDerWaalsContact C-N 3.28Å; L324-F326 PolarHBondContact O-N 3.4Å; F326-L328 VanDerWaalsContact C-N 3.33Å; F326-L328 PolarHBondContact O-N 3.46Å; F326-E329 PolarHBondContact O-N 3.37Å; F326-V330 HydrophobicContact CD1-CG2 4.24Å; F326-V330 HydrophobicContact CE1-CG2 3.89Å; F326-V330 HydrophobicContact CZ-CG2 4.17Å; F326-V330 WeakPolarHBondContact O-CG2 3.32Å; F326-V330 PolarHBondContact O-N 3.24Å
327Y88.4Confident82.1Confident104 Ų10456.2 Ų56.241%0.40834%0.336SS..Hα-helixtrans-66.5-35.1177.8-74.5-74000112.8V290 T294 I323 L324 G331V290-Y327 HydrophobicContact CG1-CD2 4.44Å; V290-Y327 HydrophobicContact CG1-CE2 3.81Å; T294-Y327 WeakPolarHBondContact CB-OH 3.25Å; T294-Y327 HydrophobicContact CG2-CE2 4.33Å; T294-Y327 WeakPolarHBondContact CG2-OH 3.11Å; T294-Y327 WeakPolarHBondContact OG1-CE2 3.38Å; T294-Y327 PolarHBondContact OG1-OH 3.02Å; I323-Y327 HydrophobicContact CB-CE2 4.42Å; I323-Y327 HydrophobicContact CD1-CE2 4.48Å; I323-Y327 WeakPolarHBondContact O-CD2 3.24Å; L324-Y327 PolarHBondContact O-N 2.74Å; Y327-G331 PolarHBondContact O-N 2.82Å
328L83.7Confident81.4Confident62 Ų6261 Ų6133%0.32535%0.353SS..Hα-helixtrans-64.3-43.8173.6-71.7179.5000111.4L324 F326 G331 L332 L347 V350L324-L328 HydrophobicContact CD1-CD1 4.15Å; L324-L328 HydrophobicContact CD1-CD2 4.33Å; L324-L328 HydrophobicContact CD1-CG 3.97Å; L324-L328 HydrophobicContact CD2-CD1 4.21Å; L324-L328 HydrophobicContact CG-CD1 3.76Å; L324-L328 HydrophobicContact CG-CG 4.02Å; L324-L328 WeakPolarHBondContact O-CG 3.39Å; L324-L328 PolarHBondContact O-N 2.94Å; F326-L328 VanDerWaalsContact C-N 3.33Å; F326-L328 PolarHBondContact O-N 3.46Å; L328-G331 PolarHBondContact O-N 3.4Å; L328-L332 HydrophobicContact CB-CD1 4.47Å; L328-L332 VanDerWaalsContact O-CB 3.24Å; L328-L332 WeakPolarHBondContact O-CB 3.36Å; L328-L332 WeakPolarHBondContact O-CD1 3.45Å; L328-L332 WeakPolarHBondContact O-CG 3.3Å; L328-L332 PolarHBondContact O-N 2.96Å; L328-L347 HydrophobicContact CB-CD1 4.34Å; L328-L347 HydrophobicContact CB-CD2 3.78Å; L328-L347 HydrophobicContact CD1-CD2 4.04Å; L328-V350 HydrophobicContact CD1-CG1 4.42Å
329E78.7Confident80.8Confident62 Ų6262.5 Ų62.529%0.2937%0.371SS..Hα-helixtrans-61.8-47.9177.5-173.7168.5-158.600111.7P325 F326 L332 S333 R351 R354P325-E329 WeakPolarHBondContact O-CB 3.28Å; P325-E329 PolarHBondContact O-N 3.27Å; F326-E329 PolarHBondContact O-N 3.37Å; E329-L332 PolarHBondContact O-N 3.28Å; E329-S333 VanDerWaalsContact O-CB 3.26Å; E329-S333 WeakPolarHBondContact O-CB 3.4Å; E329-S333 PolarHBondContact O-N 3.25Å; E329-S333 PolarHBondContact O-OG 3.43Å; E329-R351 IonicContact OE1-CZ 3.36Å; E329-R351 IonicContact OE1-NH2 3.49Å; E329-R351 PolarHBondContact OE1-NH2 3.47Å; E329-R351 IonicContact OE2-NH2 3.15Å; E329-R354 IonicContact OE2-CZ 3.46Å; E329-R354 IonicContact OE2-NH2 3.91Å; E329-R354 PolarHBondContact OE2-NH2 2.92Å
330V82Confident80Confident82 Ų8262.5 Ų62.550%0.49737%0.371SS..Hα-helixtrans-62.9-48.2177.2175.20000111.2F326 L332 S333F326-V330 HydrophobicContact CD1-CG2 4.24Å; F326-V330 HydrophobicContact CE1-CG2 3.89Å; F326-V330 HydrophobicContact CZ-CG2 4.17Å; F326-V330 WeakPolarHBondContact O-CG2 3.32Å; F326-V330 PolarHBondContact O-N 3.24Å; V330-L332 VanDerWaalsContact C-N 3.32Å; V330-L332 PolarHBondContact O-N 3.12Å; V330-S333 PolarHBondContact O-N 2.89Å; V330-S333 PolarHBondContact O-OG 3.07Å
331G81.8Confident79.2Confident47 Ų4764.3 Ų64.349%0.48538%0.379SS..Hα-helixtrans-63.8-34.5-178.700000113.7Y327 L328Y327-G331 PolarHBondContact O-N 2.82Å; L328-G331 PolarHBondContact O-N 3.4Å
332L78Confident78.5Confident32 Ų3268 Ų6817%0.16840%0.397CS..Hα-helixtrans-85.8-26.5-180-71.5159.5000113.1L328 E329 V330 G334 L335 V343 L344 L347L328-L332 HydrophobicContact CB-CD1 4.47Å; L328-L332 VanDerWaalsContact O-CB 3.24Å; L328-L332 WeakPolarHBondContact O-CB 3.36Å; L328-L332 WeakPolarHBondContact O-CD1 3.45Å; L328-L332 WeakPolarHBondContact O-CG 3.3Å; L328-L332 PolarHBondContact O-N 2.96Å; E329-L332 PolarHBondContact O-N 3.28Å; V330-L332 VanDerWaalsContact C-N 3.32Å; V330-L332 PolarHBondContact O-N 3.12Å; L332-G334 PolarHBondContact O-N 3.35Å; L332-L335 HydrophobicContact CD2-CD1 3.9Å; L332-L335 PolarHBondContact O-N 3.16Å; L332-L335 VanDerWaalsContact O-N 3.1Å; L332-V343 HydrophobicContact CD1-CG1 3.53Å; L332-V343 HydrophobicContact CD2-CG1 4.04Å; L332-V343 HydrophobicContact CG-CG1 4.42Å; L332-L344 HydrophobicContact CB-CD2 4.07Å; L332-L344 HydrophobicContact CB-CG 4.37Å; L332-L347 HydrophobicContact CB-CD1 3.88Å; L332-L347 HydrophobicContact CD1-CD1 3.26Å; L332-L347 HydrophobicContact CD1-CD2 4.04Å; L332-L347 HydrophobicContact CD1-CG 3.84Å; L332-L347 HydrophobicContact CG-CD1 4.16Å
333S73.8Confident77.9Confident85 Ų8570.8 Ų70.859%0.59441%0.414SS*.Hα-helixtrans-60.4-26.6175.769.90000113.8E329 V330E329-S333 VanDerWaalsContact O-CB 3.26Å; E329-S333 WeakPolarHBondContact O-CB 3.4Å; E329-S333 PolarHBondContact O-N 3.25Å; E329-S333 PolarHBondContact O-OG 3.43Å; V330-S333 PolarHBondContact O-N 2.89Å; V330-S333 PolarHBondContact O-OG 3.07Å
334G69.7Low76.9Confident68 Ų6873.2 Ų73.270%0.70143%0.426SS*.THydrogen-bonded Turntrans-82.4-11.8176.900000115L332L332-G334 PolarHBondContact O-N 3.35Å
335L72.5Confident76.1Confident98 Ų9872.3 Ų72.351%0.51343%0.432SS..  trans-90.7109.3-178.8-74.2152.4000108.9L332 S337 A340L332-L335 HydrophobicContact CD2-CD1 3.9Å; L332-L335 PolarHBondContact O-N 3.16Å; L332-L335 VanDerWaalsContact O-N 3.1Å; L335-S337 PolarHBondContact O-N 3.3Å; L335-S337 VanDerWaalsContact O-N 3.17Å; L335-A340 HydrophobicContact CB-CB 3.64Å; L335-A340 WeakPolarHBondContact O-CB 3.1Å
336S66.5Low75.6Confident124 Ų12478.6 Ų78.687%0.86746%0.459SS*.  trans-77.48.2-178.6-175.90000114.2
337S72.4Confident74.7Confident57 Ų5777.5 Ų77.540%0.39946%0.455SS..SBendtrans-78153.3-173.673.50000111.8L335 A339 A340 K341L335-S337 PolarHBondContact O-N 3.3Å; L335-S337 VanDerWaalsContact O-N 3.17Å; S337-A339 PolarHBondContact O-N 3.1Å; S337-A340 WeakPolarHBondContact O-CA 3.36Å; S337-A340 WeakPolarHBondContact O-CB 3.29Å; S337-A340 PolarHBondContact O-N 2.78Å; S337-A340 PolarHBondContact OG-N 3.31Å; S337-A340 VanDerWaalsContact OG-N 3.13Å; S337-K341 PolarHBondContact O-N 3.13Å
338K74.2Confident73.8Confident174 Ų17481 Ų8176%0.75747%0.467SS*.Hα-helixtrans-57.3-36.1173.6-170.5151.6-176.6169.40111.9A340 K341 D342K338-A340 VanDerWaalsContact C-N 3.31Å; K338-A340 PolarHBondContact O-N 3.17Å; K338-K341 PolarHBondContact O-N 3.5Å; K338-D342 PolarHBondContact O-N 2.92Å
339A74.6Confident73.3Confident62 Ų6282.5 Ų82.551%0.51248%0.479SS..Hα-helixtrans-60.1-39.3172.200000112.3S337 K341 D342 V343S337-A339 PolarHBondContact O-N 3.1Å; A339-K341 VanDerWaalsContact C-N 3.34Å; A339-K341 PolarHBondContact O-N 3.02Å; A339-D342 PolarHBondContact O-N 3.29Å; A339-V343 WeakPolarHBondContact O-CB 3.21Å; A339-V343 WeakPolarHBondContact O-CG2 3.34Å; A339-V343 PolarHBondContact O-N 2.92Å
340A71.4Confident73.1Confident3 Ų380.8 Ų80.83%0.02547%0.473CS..Hα-helixtrans-65.1-36.7176.500000112.2L335 S337 K338 V343 L344L335-A340 HydrophobicContact CB-CB 3.64Å; L335-A340 WeakPolarHBondContact O-CB 3.1Å; S337-A340 WeakPolarHBondContact O-CA 3.36Å; S337-A340 WeakPolarHBondContact O-CB 3.29Å; S337-A340 PolarHBondContact O-N 2.78Å; S337-A340 PolarHBondContact OG-N 3.31Å; S337-A340 VanDerWaalsContact OG-N 3.13Å; K338-A340 VanDerWaalsContact C-N 3.31Å; K338-A340 PolarHBondContact O-N 3.17Å; A340-V343 PolarHBondContact O-N 3.39Å; A340-L344 VanDerWaalsContact O-CB 3.23Å; A340-L344 WeakPolarHBondContact O-CB 3.39Å; A340-L344 WeakPolarHBondContact O-CD1 3.49Å; A340-L344 WeakPolarHBondContact O-CG 3.04Å; A340-L344 PolarHBondContact O-N 3.19Å
341K72.4Confident72.9Confident135 Ų13580 Ų8059%0.58746%0.461SS*.Hα-helixtrans-62.7-43.1174.3-68.9-171.4177-170.50112.5S337 K338 A339 L344 G345S337-K341 PolarHBondContact O-N 3.13Å; K338-K341 PolarHBondContact O-N 3.5Å; A339-K341 VanDerWaalsContact C-N 3.34Å; A339-K341 PolarHBondContact O-N 3.02Å; K341-L344 PolarHBondContact O-N 3.04Å; K341-G345 PolarHBondContact O-N 3.38Å
342D74.7Confident72.8Confident117 Ų11784.3 Ų84.363%0.62647%0.466SS*.Hα-helixtrans-66.1-43176.9-68.5-16.7000111.2K338 A339 G345 F346K338-D342 PolarHBondContact O-N 2.92Å; A339-D342 PolarHBondContact O-N 3.29Å; D342-G345 PolarHBondContact O-N 3.21Å; D342-F346 PolarHBondContact O-N 3.34Å
343V73.1Confident73Confident60 Ų6084.7 Ų84.736%0.36447%0.47SS..Hα-helixtrans-65.8-38.1176178.80000110.8L332 A339 A340 G345 F346 L347L332-V343 HydrophobicContact CD1-CG1 3.53Å; L332-V343 HydrophobicContact CD2-CG1 4.04Å; L332-V343 HydrophobicContact CG-CG1 4.42Å; A339-V343 WeakPolarHBondContact O-CB 3.21Å; A339-V343 WeakPolarHBondContact O-CG2 3.34Å; A339-V343 PolarHBondContact O-N 2.92Å; A340-V343 PolarHBondContact O-N 3.39Å; V343-G345 VanDerWaalsContact C-N 3.31Å; V343-G345 PolarHBondContact O-N 3.48Å; V343-F346 CarbonylContact O-C 3.34Å; V343-F346 WeakPolarHBondContact O-CB 3.4Å; V343-F346 PolarHBondContact O-N 2.98Å; V343-F346 VanDerWaalsContact O-N 3.16Å; V343-L347 HydrophobicContact CG1-CG 4.37Å; V343-L347 WeakPolarHBondContact O-CG 3.39Å; V343-L347 PolarHBondContact O-N 3.32Å
344L69.1Low73.5Confident59 Ų5981 Ų8131%0.30944%0.443SS..Hα-helixtrans-62.9-37.1174.4-76.9162.1000111.6L332 A340 K341 L347 R348L332-L344 HydrophobicContact CB-CD2 4.07Å; L332-L344 HydrophobicContact CB-CG 4.37Å; A340-L344 VanDerWaalsContact O-CB 3.23Å; A340-L344 WeakPolarHBondContact O-CB 3.39Å; A340-L344 WeakPolarHBondContact O-CD1 3.49Å; A340-L344 WeakPolarHBondContact O-CG 3.04Å; A340-L344 PolarHBondContact O-N 3.19Å; K341-L344 PolarHBondContact O-N 3.04Å; L344-L347 HydrophobicContact CD2-CD1 4.01Å; L344-L347 WeakPolarHBondContact O-CB 3.3Å; L344-L347 PolarHBondContact O-N 3.01Å; L344-R348 PolarHBondContact O-N 2.93Å; L344-R348 VanDerWaalsContact O-N 3.08Å
345G71Confident74.2Confident42 Ų4281.1 Ų81.143%0.43343%0.427SS..Hα-helixtrans-60.4-45.9170.500000112.1K341 D342 V343 L347 R348K341-G345 PolarHBondContact O-N 3.38Å; D342-G345 PolarHBondContact O-N 3.21Å; V343-G345 VanDerWaalsContact C-N 3.31Å; V343-G345 PolarHBondContact O-N 3.48Å; G345-L347 VanDerWaalsContact C-N 3.34Å; G345-R348 VanDerWaalsContact O-CB 3.31Å; G345-R348 WeakPolarHBondContact O-CB 3.15Å; G345-R348 PolarHBondContact O-N 3.14Å
346F72.9Confident74.8Confident137 Ų13779.2 Ų79.260%0.60142%0.417SS*.Hα-helixtrans-66-35173.1-173.2-99.9000112.4D342 V343 R348 V349 V350D342-F346 PolarHBondContact O-N 3.34Å; V343-F346 CarbonylContact O-C 3.34Å; V343-F346 WeakPolarHBondContact O-CB 3.4Å; V343-F346 PolarHBondContact O-N 2.98Å; V343-F346 VanDerWaalsContact O-N 3.16Å; F346-R348 PolarHBondContact O-N 2.74Å; F346-V349 WeakPolarHBondContact O-CA 3.19Å; F346-V349 VanDerWaalsContact O-CB 3.25Å; F346-V349 WeakPolarHBondContact O-CB 3.14Å; F346-V349 PolarHBondContact O-N 2.64Å; F346-V350 HydrophobicContact CD1-CG2 3.97Å; F346-V350 HydrophobicContact CE1-CG2 3.89Å; F346-V350 PolarHBondContact O-N 3.08Å
347L67.5Low75.6Confident18 Ų1873.4 Ų73.49%0.09438%0.376CS..Hα-helixtrans-64.1-26.7175.6-75.2-175.6000112.6L328 L332 V343 L344 G345 V349 V350 R351L328-L347 HydrophobicContact CB-CD1 4.34Å; L328-L347 HydrophobicContact CB-CD2 3.78Å; L328-L347 HydrophobicContact CD1-CD2 4.04Å; L332-L347 HydrophobicContact CB-CD1 3.88Å; L332-L347 HydrophobicContact CD1-CD1 3.26Å; L332-L347 HydrophobicContact CD1-CD2 4.04Å; L332-L347 HydrophobicContact CD1-CG 3.84Å; L332-L347 HydrophobicContact CG-CD1 4.16Å; V343-L347 HydrophobicContact CG1-CG 4.37Å; V343-L347 WeakPolarHBondContact O-CG 3.39Å; V343-L347 PolarHBondContact O-N 3.32Å; L344-L347 HydrophobicContact CD2-CD1 4.01Å; L344-L347 WeakPolarHBondContact O-CB 3.3Å; L344-L347 PolarHBondContact O-N 3.01Å; G345-L347 VanDerWaalsContact C-N 3.34Å; L347-V349 PolarHBondContact O-N 2.96Å; L347-V350 HydrophobicContact CD2-CB 4.04Å; L347-V350 HydrophobicContact CD2-CG1 4.36Å; L347-V350 HydrophobicContact CD2-CG2 3.98Å; L347-V350 CarbonylContact O-C 3.58Å; L347-V350 WeakPolarHBondContact O-CA 3.24Å; L347-V350 WeakPolarHBondContact O-CB 3.4Å; L347-V350 PolarHBondContact O-N 2.75Å; L347-R351 PolarHBondContact O-N 2.92Å
348R70.4Confident76.2Confident176 Ų17674.3 Ų74.366%0.66438%0.376SS*.Hα-helixtrans-60.4-34.4170.3-166.7178.4-69.6174.1-3.2111.1L344 G345 F346 R351L344-R348 PolarHBondContact O-N 2.93Å; L344-R348 VanDerWaalsContact O-N 3.08Å; G345-R348 VanDerWaalsContact O-CB 3.31Å; G345-R348 WeakPolarHBondContact O-CB 3.15Å; G345-R348 PolarHBondContact O-N 3.14Å; F346-R348 PolarHBondContact O-N 2.74Å; R348-R351 WeakPolarHBondContact O-CB 3.09Å; R348-R351 PolarHBondContact O-N 3.12Å
349V72.8Confident76.7Confident95 Ų9570.8 Ų70.858%0.57636%0.36SS*.Hα-helixtrans-72.5-37.7170-173.10000110.7F346 L347 R351 F352F346-V349 WeakPolarHBondContact O-CA 3.19Å; F346-V349 VanDerWaalsContact O-CB 3.25Å; F346-V349 WeakPolarHBondContact O-CB 3.14Å; F346-V349 PolarHBondContact O-N 2.64Å; L347-V349 PolarHBondContact O-N 2.96Å; V349-R351 PolarHBondContact O-N 3.05Å; V349-F352 WeakPolarHBondContact O-CB 3.36Å; V349-F352 PolarHBondContact O-N 2.94Å
350V74.7Confident77.1Confident26 Ų2668.1 Ų68.116%0.15834%0.337CS..Hα-helixtrans-62.4-23.7172.2-1770000111.9P325 L328 F346 L347 F352 V353P325-V350 HydrophobicContact CB-CG1 4.07Å; P325-V350 HydrophobicContact CG-CG1 4.02Å; L328-V350 HydrophobicContact CD1-CG1 4.42Å; F346-V350 HydrophobicContact CD1-CG2 3.97Å; F346-V350 HydrophobicContact CE1-CG2 3.89Å; F346-V350 PolarHBondContact O-N 3.08Å; L347-V350 HydrophobicContact CD2-CB 4.04Å; L347-V350 HydrophobicContact CD2-CG1 4.36Å; L347-V350 HydrophobicContact CD2-CG2 3.98Å; L347-V350 CarbonylContact O-C 3.58Å; L347-V350 WeakPolarHBondContact O-CA 3.24Å; L347-V350 WeakPolarHBondContact O-CB 3.4Å; L347-V350 PolarHBondContact O-N 2.75Å; V350-F352 PolarHBondContact O-N 2.7Å; V350-V353 HydrophobicContact CG1-CG2 4.23Å; V350-V353 WeakPolarHBondContact O-CB 3.1Å; V350-V353 WeakPolarHBondContact O-CG2 3.45Å; V350-V353 PolarHBondContact O-N 3.5Å
351R77.1Confident77.5Confident64 Ų6469.5 Ų69.524%0.24234%0.344CS..G310 helixtrans-59.8-28.8171.7-161-179.8-77.4178.20.7111.8E249 E329 L347 R348 V349 V353 R354E249-R351 VanDerWaalsContact OE1-CD 3.26Å; E249-R351 WeakPolarHBondContact OE1-CD 3.49Å; E249-R351 IonicContact OE1-CZ 3.69Å; E249-R351 IonicContact OE1-NE 2.75Å; E249-R351 PolarHBondContact OE1-NE 2.91Å; E249-R351 IonicContact OE1-NH1 3.06Å; E249-R351 PolarHBondContact OE1-NH1 3.39Å; E249-R351 IonicContact OE1-NH2 2.71Å; E329-R351 IonicContact OE1-CZ 3.36Å; E329-R351 IonicContact OE1-NH2 3.49Å; E329-R351 PolarHBondContact OE1-NH2 3.47Å; E329-R351 IonicContact OE2-NH2 3.15Å; L347-R351 PolarHBondContact O-N 2.92Å; R348-R351 WeakPolarHBondContact O-CB 3.09Å; R348-R351 PolarHBondContact O-N 3.12Å; V349-R351 PolarHBondContact O-N 3.05Å; R351-V353 PolarHBondContact O-N 3.28Å; R351-R354 HydrophobicContact CG-CG 4.33Å; R351-R354 WeakPolarHBondContact O-CB 3.47Å; R351-R354 WeakPolarHBondContact O-CG 3.49Å; R351-R354 PolarHBondContact O-N 2.91Å; R351-R354 VanDerWaalsContact O-N 3.09Å
352F80.2Confident77.9Confident138 Ų13864.1 Ų64.161%0.60532%0.322SS*.G310 helixtrans-61.3-32.6172.3177.8-102000112.3V349 V350 R354 I355V349-F352 WeakPolarHBondContact O-CB 3.36Å; V349-F352 PolarHBondContact O-N 2.94Å; V350-F352 PolarHBondContact O-N 2.7Å; F352-R354 PolarHBondContact O-N 3.16Å; F352-I355 HydrophobicContact CE1-CG2 4.31Å; F352-I355 HydrophobicContact CE2-CG2 4.38Å; F352-I355 HydrophobicContact CZ-CG2 4.19Å; F352-I355 WeakPolarHBondContact O-CB 3.35Å; F352-I355 WeakPolarHBondContact O-CG2 3.26Å; F352-I355 PolarHBondContact O-N 3.1Å
353V82.5Confident78Confident40 Ų4059.3 Ų59.324%0.24230%0.296CS..G310 helixtrans-59.8-22177-175.90000111.6V321 P325 V350 R351 I355 L356V321-V353 HydrophobicContact CG1-CG1 3.33Å; P325-V353 HydrophobicContact CG-CB 4.05Å; P325-V353 HydrophobicContact CG-CG1 4.24Å; V350-V353 HydrophobicContact CG1-CG2 4.23Å; V350-V353 WeakPolarHBondContact O-CB 3.1Å; V350-V353 WeakPolarHBondContact O-CG2 3.45Å; V350-V353 PolarHBondContact O-N 3.5Å; R351-V353 PolarHBondContact O-N 3.28Å; V353-I355 PolarHBondContact O-N 2.94Å; V353-I355 VanDerWaalsContact O-N 3.11Å; V353-L356 HydrophobicContact CG1-CD1 3.75Å; V353-L356 HydrophobicContact CG1-CG 4.29Å; V353-L356 VanDerWaalsContact O-CB 3.27Å; V353-L356 WeakPolarHBondContact O-CB 3.29Å; V353-L356 WeakPolarHBondContact O-CG 3.47Å; V353-L356 PolarHBondContact O-N 2.85Å
354R82.8Confident78.3Confident8 Ų858.2 Ų58.23%0.0329%0.286CS..G310 helixtrans-54.3-29.1171.9-66.1-171.5175.3163.23.7112.3F246 E249 E286 P325 E329 R351 F352 L356 R357F246-R354 HydrophobicContact CD2-CB 4.04Å; F246-R354 HydrophobicContact CE2-CB 4.16Å; E249-R354 IonicContact OE1-NH1 2.91Å; E249-R354 PolarHBondContact OE1-NH1 3.18Å; E249-R354 IonicContact OE2-NH1 3.13Å; E249-R354 PolarHBondContact OE2-NH1 3.23Å; E249-R354 VanDerWaalsContact OE2-NH1 3.17Å; E286-R354 IonicContact OE1-NE 2.68Å; P325-R354 HydrophobicContact CB-CG 4.07Å; P325-R354 HydrophobicContact CG-CG 4.31Å; E329-R354 IonicContact OE2-CZ 3.46Å; E329-R354 IonicContact OE2-NH2 3.91Å; E329-R354 PolarHBondContact OE2-NH2 2.92Å; R351-R354 HydrophobicContact CG-CG 4.33Å; R351-R354 WeakPolarHBondContact O-CB 3.47Å; R351-R354 WeakPolarHBondContact O-CG 3.49Å; R351-R354 PolarHBondContact O-N 2.91Å; R351-R354 VanDerWaalsContact O-N 3.09Å; F352-R354 PolarHBondContact O-N 3.16Å; R354-L356 PolarHBondContact O-N 2.61Å; R354-R357 WeakPolarHBondContact O-CB 3.13Å; R354-R357 WeakPolarHBondContact O-CD 3.27Å; R354-R357 WeakPolarHBondContact O-CG 3.4Å; R354-R357 PolarHBondContact O-N 2.86Å; R354-R357 PolarHBondContact O-NE 3.4Å
355I84.8Confident78.9Confident70 Ų7062.1 Ų62.136%0.35930%0.301SS..G310 helixtrans-60.5-28.6177-157.1170.3000112F246 F352 V353 R357 I358F246-I355 HydrophobicContact CE1-CB 4.13Å; F246-I355 HydrophobicContact CE1-CD1 4.32Å; F246-I355 HydrophobicContact CE1-CG1 4.12Å; F246-I355 HydrophobicContact CZ-CB 4.29Å; F352-I355 HydrophobicContact CE1-CG2 4.31Å; F352-I355 HydrophobicContact CE2-CG2 4.38Å; F352-I355 HydrophobicContact CZ-CG2 4.19Å; F352-I355 WeakPolarHBondContact O-CB 3.35Å; F352-I355 WeakPolarHBondContact O-CG2 3.26Å; F352-I355 PolarHBondContact O-N 3.1Å; V353-I355 PolarHBondContact O-N 2.94Å; V353-I355 VanDerWaalsContact O-N 3.11Å; I355-R357 PolarHBondContact O-N 2.95Å; I355-R357 VanDerWaalsContact O-N 3.1Å; I355-I358 WeakPolarHBondContact O-CB 3.24Å; I355-I358 WeakPolarHBondContact O-CG2 2.96Å; I355-I358 PolarHBondContact O-N 2.9Å
356L84.6Confident79.3Confident58 Ų5861 Ų6130%0.30429%0.286SS..G310 helixtrans-64.3-17.2-179.7-59.2-175.3000113V321 V353 R354 I358 F359V321-L356 HydrophobicContact CG1-CD1 3.82Å; V353-L356 HydrophobicContact CG1-CD1 3.75Å; V353-L356 HydrophobicContact CG1-CG 4.29Å; V353-L356 VanDerWaalsContact O-CB 3.27Å; V353-L356 WeakPolarHBondContact O-CB 3.29Å; V353-L356 WeakPolarHBondContact O-CG 3.47Å; V353-L356 PolarHBondContact O-N 2.85Å; R354-L356 PolarHBondContact O-N 2.61Å; L356-I358 PolarHBondContact O-N 3.47Å; L356-I358 VanDerWaalsContact O-N 3.12Å; L356-F359 HydrophobicContact CB-CD2 4.27Å; L356-F359 HydrophobicContact CD2-CD2 3.92Å; L356-F359 HydrophobicContact CD2-CE2 3.66Å; L356-F359 WeakPolarHBondContact O-CB 3.44Å; L356-F359 WeakPolarHBondContact O-CD2 3.37Å; L356-F359 PolarHBondContact O-N 3.01Å
357R83.3Confident79.9Confident3 Ų355.5 Ų55.51%0.01127%0.268CS..G310 helixtrans-59.3-21.8172.480.6-172.863.6-148.95.5112.7S242 I243 E286 A322 R354 I355 F359 K360S242-R357 WeakPolarHBondContact OG-CD 3.28Å; S242-R357 VanDerWaalsContact OG-CZ 3.32Å; S242-R357 PolarHBondContact OG-NE 3.35Å; S242-R357 PolarHBondContact OG-NH1 2.99Å; I243-R357 HydrophobicContact CG1-CG 4.2Å; E286-R357 VanDerWaalsContact CD-NH1 3.33Å; E286-R357 IonicContact OE1-CZ 2.65Å; E286-R357 IonicContact OE1-NH1 3.8Å; E286-R357 PolarHBondContact OE1-NH1 3.31Å; E286-R357 IonicContact OE1-NH2 3.35Å; E286-R357 PolarHBondContact OE1-NH2 3.01Å; E286-R357 IonicContact OE2-CZ 2.74Å; E286-R357 IonicContact OE2-NH1 3.59Å; E286-R357 PolarHBondContact OE2-NH1 3.42Å; E286-R357 VanDerWaalsContact OE2-NH1 3.14Å; A322-R357 HydrophobicContact CB-CB 3.81Å; R354-R357 WeakPolarHBondContact O-CB 3.13Å; R354-R357 WeakPolarHBondContact O-CD 3.27Å; R354-R357 WeakPolarHBondContact O-CG 3.4Å; R354-R357 PolarHBondContact O-N 2.86Å; R354-R357 PolarHBondContact O-NE 3.4Å; I355-R357 PolarHBondContact O-N 2.95Å; I355-R357 VanDerWaalsContact O-N 3.1Å; R357-F359 PolarHBondContact O-N 3.34Å; R357-K360 VanDerWaalsContact O-CB 3.24Å; R357-K360 WeakPolarHBondContact O-CB 3.35Å; R357-K360 WeakPolarHBondContact O-CG 3.34Å; R357-K360 PolarHBondContact O-N 3.23Å
358I86.3Confident80.7Confident76 Ų7657.9 Ų57.939%0.3928%0.28SS..G310 helixtrans-58.4-32.7171.7-162.3167.8000111.9I243 I355 L356 K360 L361I243-I358 HydrophobicContact CD1-CB 4.1Å; I243-I358 HydrophobicContact CD1-CD1 4.45Å; I243-I358 HydrophobicContact CD1-CG1 3.87Å; I355-I358 WeakPolarHBondContact O-CB 3.24Å; I355-I358 WeakPolarHBondContact O-CG2 2.96Å; I355-I358 PolarHBondContact O-N 2.9Å; L356-I358 PolarHBondContact O-N 3.47Å; L356-I358 VanDerWaalsContact O-N 3.12Å; I358-K360 PolarHBondContact O-N 2.93Å; I358-L361 HydrophobicContact CG1-CD1 4.07Å; I358-L361 VanDerWaalsContact O-CB 3.24Å; I358-L361 WeakPolarHBondContact O-CB 3.11Å; I358-L361 VanDerWaalsContact O-CG 3.3Å; I358-L361 WeakPolarHBondContact O-CG 3.47Å; I358-L361 PolarHBondContact O-N 3.49Å
359F84.7Confident81.3Confident99 Ų9953.8 Ų53.843%0.43427%0.265SS..G310 helixtrans-70.1-12.5177.3-66.1-70.3000112.7I318 L356 R357 L361 T362I318-F359 HydrophobicContact CD1-CB 4.03Å; I318-F359 HydrophobicContact CG2-CB 3.59Å; L356-F359 HydrophobicContact CB-CD2 4.27Å; L356-F359 HydrophobicContact CD2-CD2 3.92Å; L356-F359 HydrophobicContact CD2-CE2 3.66Å; L356-F359 WeakPolarHBondContact O-CB 3.44Å; L356-F359 WeakPolarHBondContact O-CD2 3.37Å; L356-F359 PolarHBondContact O-N 3.01Å; R357-F359 PolarHBondContact O-N 3.34Å; F359-L361 PolarHBondContact O-N 3.43Å; F359-T362 HydrophobicContact CB-CG2 4.3Å; F359-T362 HydrophobicContact CD1-CG2 4.14Å; F359-T362 VanDerWaalsContact O-CB 3.24Å; F359-T362 WeakPolarHBondContact O-CB 3.39Å; F359-T362 WeakPolarHBondContact O-CG2 3.33Å; F359-T362 PolarHBondContact O-N 2.75Å; F359-T362 PolarHBondContact O-OG1 2.87Å
360K82Confident82Confident6 Ų649.4 Ų49.43%0.02624%0.238CC..G310 helixtrans-60.3-25.5168-62.1-173.257.8800111.9I239 F293 E296 D319 A322 R357 I358 T362 R363I239-K360 HydrophobicContact CD1-CB 3.53Å; I239-K360 HydrophobicContact CG1-CB 4.03Å; I239-K360 HydrophobicContact CG1-CD 4.41Å; F293-K360 HydrophobicContact CD1-CD 4.44Å; E296-K360 IonicContact OE1-NZ 3.79Å; E296-K360 PolarHBondContact OE1-NZ 3.06Å; D319-K360 VanDerWaalsContact OD1-CG 3.29Å; D319-K360 WeakPolarHBondContact OD1-CG 3.09Å; D319-K360 IonicContact OD1-NZ 2.72Å; D319-K360 PolarHBondContact OD1-NZ 3.09Å; D319-K360 IonicContact OD2-NZ 3.39Å; D319-K360 PolarHBondContact OD2-NZ 3.49Å; A322-K360 HydrophobicContact CB-CD 4.37Å; R357-K360 VanDerWaalsContact O-CB 3.24Å; R357-K360 WeakPolarHBondContact O-CB 3.35Å; R357-K360 WeakPolarHBondContact O-CG 3.34Å; R357-K360 PolarHBondContact O-N 3.23Å; I358-K360 PolarHBondContact O-N 2.93Å; K360-T362 PolarHBondContact O-N 3.2Å; K360-R363 WeakPolarHBondContact O-CB 3.49Å; K360-R363 PolarHBondContact O-N 3.17Å
361L80.5Confident82.7Confident33 Ų3351.6 Ų51.617%0.17325%0.249CC..G310 helixtrans-62.1-25.3173.9-62.8177.3000112.7L236 I239 I243 I358 F359 R363 H364 F365 L368L236-L361 HydrophobicContact CD1-CD2 3.28Å; I239-L361 HydrophobicContact CB-CD2 4.17Å; I239-L361 HydrophobicContact CD1-CD2 4.18Å; I239-L361 HydrophobicContact CG2-CD1 4.47Å; I239-L361 HydrophobicContact CG2-CD2 3.59Å; I239-L361 HydrophobicContact CG2-CG 3.8Å; I243-L361 HydrophobicContact CD1-CD1 4.44Å; I358-L361 HydrophobicContact CG1-CD1 4.07Å; I358-L361 VanDerWaalsContact O-CB 3.24Å; I358-L361 WeakPolarHBondContact O-CB 3.11Å; I358-L361 VanDerWaalsContact O-CG 3.3Å; I358-L361 WeakPolarHBondContact O-CG 3.47Å; I358-L361 PolarHBondContact O-N 3.49Å; F359-L361 PolarHBondContact O-N 3.43Å; L361-R363 PolarHBondContact O-N 3.22Å; L361-H364 PolarHBondContact O-N 2.99Å; L361-F365 PolarHBondContact O-N 3.13Å; L361-F365 VanDerWaalsContact O-N 3.07Å; L361-L368 HydrophobicContact CB-CD1 4.33Å
362T80.7Confident83.2Confident21 Ų2150.2 Ų50.213%0.12925%0.254CS..G310 helixtrans-60.2-31.1-178.964.50000112.6L315 F359 K360 H364 L368 R369L315-T362 VanDerWaalsContact CD2-OG1 3.24Å; L315-T362 WeakPolarHBondContact CD2-OG1 3.24Å; F359-T362 HydrophobicContact CB-CG2 4.3Å; F359-T362 HydrophobicContact CD1-CG2 4.14Å; F359-T362 VanDerWaalsContact O-CB 3.24Å; F359-T362 WeakPolarHBondContact O-CB 3.39Å; F359-T362 WeakPolarHBondContact O-CG2 3.33Å; F359-T362 PolarHBondContact O-N 2.75Å; F359-T362 PolarHBondContact O-OG1 2.87Å; K360-T362 PolarHBondContact O-N 3.2Å; T362-H364 VanDerWaalsContact C-N 3.29Å; T362-H364 PolarHBondContact O-N 3.17Å; T362-L368 HydrophobicContact CG2-CB 4.08Å; T362-L368 HydrophobicContact CG2-CD1 4.06Å; T362-R369 WeakPolarHBondContact O-CG 3.26Å
363R77.6Confident83.4Confident17 Ų1744.4 Ų44.46%0.06423%0.229CC..G310 helixtrans-59.5-38.6174163179.2-72-102.3-7.3112.7F219 E220 R300 K360 L361F219-R363 PolarHBondContact O-NH1 2.75Å; E220-R363 IonicContact OE1-CZ 3.91Å; E220-R363 IonicContact OE1-NH1 3.86Å; E220-R363 IonicContact OE1-NH2 3.48Å; E220-R363 PolarHBondContact OE1-NH2 2.93Å; E220-R363 IonicContact OE2-CZ 2.61Å; E220-R363 VanDerWaalsContact OE2-CZ 3.26Å; E220-R363 IonicContact OE2-NH1 3.22Å; E220-R363 PolarHBondContact OE2-NH1 3.49Å; E220-R363 IonicContact OE2-NH2 3.87Å; E220-R363 PolarHBondContact OE2-NH2 3.43Å; R300-R363 VanDerWaalsContact NE-CZ 3.35Å; R300-R363 VanDerWaalsContact NH2-NH1 3.15Å; K360-R363 WeakPolarHBondContact O-CB 3.49Å; K360-R363 PolarHBondContact O-N 3.17Å; L361-R363 PolarHBondContact O-N 3.22Å
364H78Confident83.8Confident37 Ų3742.6 Ų42.617%0.17122%0.218CC..THydrogen-bonded Turntrans-93.1-26-172.4-60.9-68.7000112.6L361 T362L361-H364 PolarHBondContact O-N 2.99Å; T362-H364 VanDerWaalsContact C-N 3.29Å; T362-H364 PolarHBondContact O-N 3.17Å
365F82.1Confident84.2Confident140 Ų14045.9 Ų45.961%0.61424%0.236SC*.  trans-100.8108-178.4-115.5-93.2000112.2L361 G367 L368 R369L361-F365 PolarHBondContact O-N 3.13Å; L361-F365 VanDerWaalsContact O-N 3.07Å; F365-G367 PolarHBondContact O-N 2.94Å; F365-L368 HydrophobicContact CB-CB 4.2Å; F365-L368 HydrophobicContact CB-CD1 3.88Å; F365-L368 HydrophobicContact CB-CG 4.03Å; F365-L368 PolarHBondContact O-N 3.23Å; F365-R369 PolarHBondContact O-N 3.35Å
366V80.3Confident84.5Confident19 Ų1950.2 Ų50.212%0.11525%0.248CC..Hα-helixtrans-53.6-42.4177.8-177.20000111.4L368 R369 V370 M484V366-L368 VanDerWaalsContact C-N 3.31Å; V366-L368 PolarHBondContact O-N 3.27Å; V366-R369 WeakPolarHBondContact O-CB 3.2Å; V366-R369 PolarHBondContact O-N 3.47Å; V366-R369 VanDerWaalsContact O-N 3.14Å; V366-V370 HydrophobicContact CG1-CG2 4.38Å; V366-V370 WeakPolarHBondContact O-CG2 3.45Å; V366-V370 PolarHBondContact O-N 3.02Å; V366-M484 HydrophobicContact CB-CE 4.31Å; V366-M484 HydrophobicContact CG1-CE 3.71Å
367G84.5Confident84.7Confident21 Ų2149.4 Ų49.422%0.21625%0.249CC..Hα-helixtrans-61.1-35.2179.200000113.7F365 L371F365-G367 PolarHBondContact O-N 2.94Å; G367-L371 WeakPolarHBondContact O-CB 3.46Å; G367-L371 PolarHBondContact O-N 3.4Å
368L85.2Confident85.1Confident69 Ų6949.2 Ų49.236%0.36125%0.249SC..Hα-helixtrans-71.3-35.1175.6-73.5175.4000111.8L361 T362 F365 V366 L371 G372L361-L368 HydrophobicContact CB-CD1 4.33Å; T362-L368 HydrophobicContact CG2-CB 4.08Å; T362-L368 HydrophobicContact CG2-CD1 4.06Å; F365-L368 HydrophobicContact CB-CB 4.2Å; F365-L368 HydrophobicContact CB-CD1 3.88Å; F365-L368 HydrophobicContact CB-CG 4.03Å; F365-L368 PolarHBondContact O-N 3.23Å; V366-L368 VanDerWaalsContact C-N 3.31Å; V366-L368 PolarHBondContact O-N 3.27Å; L368-L371 HydrophobicContact CD2-CD2 4.42Å; L368-L371 PolarHBondContact O-N 3.43Å; L368-G372 PolarHBondContact O-N 2.94Å
369R82.7Confident85.5Confident89 Ų8949.4 Ų49.434%0.33625%0.253SS..Hα-helixtrans-62.8-52.2172.8-57.1-173.5-57.5-170.84.8110.1T362 F365 V366 L371 G372 H373T362-R369 WeakPolarHBondContact O-CG 3.26Å; F365-R369 PolarHBondContact O-N 3.35Å; V366-R369 WeakPolarHBondContact O-CB 3.2Å; V366-R369 PolarHBondContact O-N 3.47Å; V366-R369 VanDerWaalsContact O-N 3.14Å; R369-L371 VanDerWaalsContact C-N 3.27Å; R369-L371 PolarHBondContact O-N 2.84Å; R369-G372 WeakPolarHBondContact O-CA 3.42Å; R369-G372 PolarHBondContact O-N 3.09Å; R369-H373 PolarHBondContact O-CE1 3.18Å; R369-H373 PolarHBondContact O-N 3.31Å; R369-H373 VanDerWaalsContact O-N 3.11Å; R369-H373 PolarHBondContact O-ND1 2.88Å; R369-H373 PolarHBondContact O-NE2 3.43Å; R369-H373 VanDerWaalsContact O-NE2 3.15Å
370V87.4Confident85.9Confident4 Ų450.4 Ų50.42%0.02426%0.263CS..Hα-helixtrans-53.1-46.9175.8173.50000110.9V366 G372 H373 T374 F476 Y480 A483V366-V370 HydrophobicContact CG1-CG2 4.38Å; V366-V370 WeakPolarHBondContact O-CG2 3.45Å; V366-V370 PolarHBondContact O-N 3.02Å; V370-G372 VanDerWaalsContact C-N 3.32Å; V370-G372 PolarHBondContact O-N 3.18Å; V370-H373 PolarHBondContact O-N 2.74Å; V370-T374 PolarHBondContact O-N 3.42Å; V370-T374 PolarHBondContact O-OG1 3.39Å; V370-T374 VanDerWaalsContact O-OG1 3.08Å; V370-F476 HydrophobicContact CG1-CD2 4.25Å; V370-F476 HydrophobicContact CG1-CE2 3.99Å; V370-Y480 HydrophobicContact CG1-CD2 4.45Å; V370-A483 HydrophobicContact CG2-CB 3.62Å
371L90.3Very high86.5Confident72 Ų7252.3 Ų52.338%0.37727%0.272SS..Hα-helixtrans-56-46.7175.9179.463000111.4G367 L368 R369 H373 T374 L375 F476G367-L371 WeakPolarHBondContact O-CB 3.46Å; G367-L371 PolarHBondContact O-N 3.4Å; L368-L371 HydrophobicContact CD2-CD2 4.42Å; L368-L371 PolarHBondContact O-N 3.43Å; R369-L371 VanDerWaalsContact C-N 3.27Å; R369-L371 PolarHBondContact O-N 2.84Å; L371-H373 VanDerWaalsContact C-N 3.26Å; L371-H373 PolarHBondContact O-N 2.85Å; L371-T374 WeakPolarHBondContact O-CB 3.39Å; L371-T374 PolarHBondContact O-N 3.08Å; L371-L375 HydrophobicContact CD1-CG 4.33Å; L371-L375 HydrophobicContact CG-CD1 4.37Å; L371-L375 HydrophobicContact CG-CG 4.41Å; L371-L375 VanDerWaalsContact O-CG 3.29Å; L371-L375 WeakPolarHBondContact O-CG 3.3Å; L371-L375 PolarHBondContact O-N 3.05Å; L371-F476 HydrophobicContact CB-CE2 4.17Å; L371-F476 HydrophobicContact CD1-CD2 4.31Å; L371-F476 HydrophobicContact CD1-CE2 4.34Å
372G86.8Confident87.2Confident35 Ų3553.9 Ų53.936%0.36128%0.278SS..Hα-helixtrans-56.3-36.9175.500000113.8L368 R369 V370 R376L368-G372 PolarHBondContact O-N 2.94Å; R369-G372 WeakPolarHBondContact O-CA 3.42Å; R369-G372 PolarHBondContact O-N 3.09Å; V370-G372 VanDerWaalsContact C-N 3.32Å; V370-G372 PolarHBondContact O-N 3.18Å; G372-R376 PolarHBondContact O-N 3.5Å; G372-R376 VanDerWaalsContact O-N 3.07Å
373H84.8Confident88Confident15 Ų1557.4 Ų57.47%0.06930%0.295CS..Hα-helixtrans-74.9-41178.1-52.9-6.8000110.9F169 R369 V370 L371 L375 R376 A377F169-H373 AromaticContact CD1-CE1 3.44Å; F169-H373 VanDerWaalsContact CD1-CE1 3.44Å; F169-H373 WeakPolarHBondContact CD1-CE1 3.47Å; F169-H373 AromaticContact CD1-NE2 3.5Å; F169-H373 AromaticContact CD2-CD2 3.42Å; F169-H373 VanDerWaalsContact CD2-CD2 3.42Å; F169-H373 WeakPolarHBondContact CD2-CD2 3.47Å; F169-H373 AromaticContact CD2-CE1 3.08Å; F169-H373 WeakPolarHBondContact CD2-CE1 3.49Å; F169-H373 AromaticContact CD2-CG 3.73Å; F169-H373 AromaticContact CD2-ND1 3.45Å; F169-H373 WeakPolarHBondContact CD2-ND1 3.36Å; F169-H373 AromaticContact CD2-NE2 2.99Å; F169-H373 WeakPolarHBondContact CD2-NE2 3.36Å; F169-H373 AromaticContact CE1-CE1 3.05Å; F169-H373 WeakPolarHBondContact CE1-CE1 3.45Å; F169-H373 AromaticContact CE1-ND1 3.89Å; F169-H373 AromaticContact CE1-NE2 3.64Å; F169-H373 AromaticContact CE2-CD2 3.68Å; F169-H373 AromaticContact CE2-CE1 2.76Å; F169-H373 WeakPolarHBondContact CE2-CE1 3.23Å; F169-H373 AromaticContact CE2-CG 3.51Å; F169-H373 AromaticContact CE2-ND1 2.83Å; F169-H373 WeakPolarHBondContact CE2-ND1 3.43Å; F169-H373 AromaticContact CE2-NE2 3.26Å; F169-H373 VanDerWaalsContact CE2-NE2 3.26Å; F169-H373 WeakPolarHBondContact CE2-NE2 3.26Å; F169-H373 AromaticContact CG-CE1 3.49Å; F169-H373 VanDerWaalsContact CG-CE1 3.49Å; F169-H373 WeakPolarHBondContact CG-CE1 3.21Å; F169-H373 AromaticContact CG-NE2 3.23Å; F169-H373 WeakPolarHBondContact CG-NE2 3.49Å; F169-H373 AromaticContact CZ-CE1 2.74Å; F169-H373 WeakPolarHBondContact CZ-CE1 3.36Å; F169-H373 AromaticContact CZ-ND1 3.1Å; F169-H373 WeakPolarHBondContact CZ-ND1 3.32Å; F169-H373 AromaticContact CZ-NE2 3.58Å; R369-H373 PolarHBondContact O-CE1 3.18Å; R369-H373 PolarHBondContact O-N 3.31Å; R369-H373 VanDerWaalsContact O-N 3.11Å; R369-H373 PolarHBondContact O-ND1 2.88Å; R369-H373 PolarHBondContact O-NE2 3.43Å; R369-H373 VanDerWaalsContact O-NE2 3.15Å; V370-H373 PolarHBondContact O-N 2.74Å; L371-H373 VanDerWaalsContact C-N 3.26Å; L371-H373 PolarHBondContact O-N 2.85Å; H373-L375 VanDerWaalsContact C-N 3.29Å; H373-L375 PolarHBondContact O-N 3.39Å; H373-R376 PolarHBondContact O-N 3.46Å; H373-A377 VanDerWaalsContact O-CB 3.28Å; H373-A377 WeakPolarHBondContact O-CB 3.38Å; H373-A377 PolarHBondContact O-N 2.87Å
374T91.2Very high88.8Confident2 Ų260.2 Ų60.21%0.01231%0.311CS..Hα-helixtrans-57.6-45.7173-54.40000110.9V370 L371 R376 A377 S378 N475 F476 Y479V370-T374 PolarHBondContact O-N 3.42Å; V370-T374 PolarHBondContact O-OG1 3.39Å; V370-T374 VanDerWaalsContact O-OG1 3.08Å; L371-T374 WeakPolarHBondContact O-CB 3.39Å; L371-T374 PolarHBondContact O-N 3.08Å; T374-R376 PolarHBondContact O-N 2.95Å; T374-A377 PolarHBondContact O-N 3.29Å; T374-S378 VanDerWaalsContact O-CB 3.24Å; T374-S378 WeakPolarHBondContact O-CB 3.37Å; T374-S378 PolarHBondContact O-N 3.5Å; T374-S378 PolarHBondContact O-OG 3.49Å; T374-N475 HydrophobicContact CG2-CB 4.12Å; T374-F476 HydrophobicContact CG2-CB 3.81Å; T374-F476 HydrophobicContact CG2-CD2 4.44Å; T374-F476 WeakPolarHBondContact OG1-CA 3.28Å; T374-Y479 WeakPolarHBondContact OG1-CD2 3.35Å
375L91.4Very high89.6Confident77 Ų7760.2 Ų60.240%0.40331%0.312SS..Hα-helixtrans-60.3-46.4177.5-68-179.6000111.2L371 H373 S378 T379 F382L371-L375 HydrophobicContact CD1-CG 4.33Å; L371-L375 HydrophobicContact CG-CD1 4.37Å; L371-L375 HydrophobicContact CG-CG 4.41Å; L371-L375 VanDerWaalsContact O-CG 3.29Å; L371-L375 WeakPolarHBondContact O-CG 3.3Å; L371-L375 PolarHBondContact O-N 3.05Å; H373-L375 VanDerWaalsContact C-N 3.29Å; H373-L375 PolarHBondContact O-N 3.39Å; L375-S378 PolarHBondContact O-N 2.89Å; L375-T379 PolarHBondContact O-N 3.25Å; L375-F382 HydrophobicContact CD2-CD2 4.44Å; L375-F382 HydrophobicContact CD2-CE1 4.31Å; L375-F382 HydrophobicContact CD2-CE2 3.35Å; L375-F382 HydrophobicContact CD2-CZ 3.26Å
376R89.3Confident90.3Very high161 Ų16158.6 Ų58.661%0.60831%0.309SS*.Hα-helixtrans-63.1-45.3178.3-176.4179.1179.5179-1.2112.1G372 H373 T374 S378 T379G372-R376 PolarHBondContact O-N 3.5Å; G372-R376 VanDerWaalsContact O-N 3.07Å; H373-R376 PolarHBondContact O-N 3.46Å; T374-R376 PolarHBondContact O-N 2.95Å; R376-S378 VanDerWaalsContact C-N 3.34Å; R376-T379 PolarHBondContact O-OG1 3.28Å
377A89.2Confident91.1Very high41 Ų4161.4 Ų61.434%0.33932%0.323SS..Hα-helixtrans-70-32.1-178.700000112.3H373 T374 T379 Y479H373-A377 VanDerWaalsContact O-CB 3.28Å; H373-A377 WeakPolarHBondContact O-CB 3.38Å; H373-A377 PolarHBondContact O-N 2.87Å; T374-A377 PolarHBondContact O-N 3.29Å; A377-T379 VanDerWaalsContact C-N 3.32Å; A377-T379 PolarHBondContact O-N 2.74Å; A377-Y479 HydrophobicContact CB-CE2 3.68Å; A377-Y479 WeakPolarHBondContact CB-OH 3.11Å
378S93Very high91.6Very high0 Ų063.5 Ų63.50%033%0.326CS..THydrogen-bonded Turntrans-94.422.4-176.3-41.60000113.5T374 L375 R376 N380 E381 F382 N475T374-S378 VanDerWaalsContact O-CB 3.24Å; T374-S378 WeakPolarHBondContact O-CB 3.37Å; T374-S378 PolarHBondContact O-N 3.5Å; T374-S378 PolarHBondContact O-OG 3.49Å; L375-S378 PolarHBondContact O-N 2.89Å; R376-S378 VanDerWaalsContact C-N 3.34Å; S378-N380 PolarHBondContact O-N 2.96Å; S378-E381 WeakPolarHBondContact CA-OE2 3.36Å; S378-E381 PolarHBondContact O-N 3.32Å; S378-F382 VanDerWaalsContact O-CD2 3.23Å; S378-F382 WeakPolarHBondContact O-CD2 3.23Å; S378-F382 PolarHBondContact O-N 2.95Å; S378-N475 PolarHBondContact OG-ND2 3.17Å
379T93.8Very high92.2Very high79 Ų7962.5 Ų62.549%0.48532%0.321SS..Hα-helixtrans-57.4-35-176.4-610000111.8L375 R376 A377 F382 L383L375-T379 PolarHBondContact O-N 3.25Å; R376-T379 PolarHBondContact O-OG1 3.28Å; A377-T379 VanDerWaalsContact C-N 3.32Å; A377-T379 PolarHBondContact O-N 2.74Å; T379-F382 PolarHBondContact O-N 2.65Å; T379-L383 WeakPolarHBondContact O-CB 3.35Å; T379-L383 PolarHBondContact O-N 3.35Å
380N93.8Very high92.9Very high120 Ų12061.1 Ų61.164%0.64233%0.328SS*.Hα-helixtrans-68-41.9179.9-65.5-34.4000111.6S378 L383 L384S378-N380 PolarHBondContact O-N 2.96Å; N380-L383 PolarHBondContact O-N 2.95Å; N380-L384 WeakPolarHBondContact O-CB 3.39Å; N380-L384 PolarHBondContact O-N 3.46Å
381E94.8Very high93.4Very high47 Ų4765.6 Ų65.622%0.2235%0.351CS..Hα-helixtrans-68.8-38.5177.6-64.875.3-171.900111.1S378 L384 L385 V471 I472S378-E381 WeakPolarHBondContact CA-OE2 3.36Å; S378-E381 PolarHBondContact O-N 3.32Å; E381-L384 PolarHBondContact O-N 3.11Å; E381-L385 WeakPolarHBondContact O-CB 3.19Å; E381-L385 PolarHBondContact O-N 3.5Å; E381-V471 HydrophobicContact CG-CB 4.25Å; E381-V471 HydrophobicContact CG-CG1 3.81Å; E381-I472 HydrophobicContact CB-CD1 4.02Å; E381-I472 HydrophobicContact CB-CG1 3.67Å; E381-I472 HydrophobicContact CG-CG1 4.41Å
382F94.8Very high93.7Very high66 Ų6662.6 Ų62.629%0.28934%0.338SS..Hα-helixtrans-62.2-44.2171.4-85.4-71.4000111.8L375 S378 T379 L384 L385 I386 I472L375-F382 HydrophobicContact CD2-CD2 4.44Å; L375-F382 HydrophobicContact CD2-CE1 4.31Å; L375-F382 HydrophobicContact CD2-CE2 3.35Å; L375-F382 HydrophobicContact CD2-CZ 3.26Å; S378-F382 VanDerWaalsContact O-CD2 3.23Å; S378-F382 WeakPolarHBondContact O-CD2 3.23Å; S378-F382 PolarHBondContact O-N 2.95Å; T379-F382 PolarHBondContact O-N 2.65Å; F382-L384 VanDerWaalsContact C-N 3.34Å; F382-L384 PolarHBondContact O-N 2.91Å; F382-L385 PolarHBondContact O-N 3.26Å; F382-I386 VanDerWaalsContact O-CG1 3.31Å; F382-I386 WeakPolarHBondContact O-CG1 3.2Å; F382-I386 PolarHBondContact O-N 3.47Å; F382-I472 HydrophobicContact CD1-CD1 4.34Å; F382-I472 HydrophobicContact CD2-CD1 4.29Å; F382-I472 HydrophobicContact CE1-CD1 4.2Å; F382-I472 HydrophobicContact CE2-CD1 4.11Å; F382-I472 HydrophobicContact CE2-CG2 4.05Å; F382-I472 HydrophobicContact CG-CD1 4.37Å; F382-I472 HydrophobicContact CZ-CD1 4.06Å; F382-I472 HydrophobicContact CZ-CG2 4.09Å
383L96.3Very high94.2Very high95 Ų9561.7 Ų61.750%0.49733%0.325SS..Hα-helixtrans-62-43.5176.1-178.962000111.3T379 N380 L385 I386 I387T379-L383 WeakPolarHBondContact O-CB 3.35Å; T379-L383 PolarHBondContact O-N 3.35Å; N380-L383 PolarHBondContact O-N 2.95Å; L383-L385 PolarHBondContact O-N 3Å; L383-I386 PolarHBondContact O-N 3.32Å; L383-I387 HydrophobicContact CD1-CD1 4.21Å; L383-I387 HydrophobicContact CD1-CG1 4.49Å; L383-I387 HydrophobicContact CG-CD1 3.98Å; L383-I387 VanDerWaalsContact O-CG1 3.29Å; L383-I387 WeakPolarHBondContact O-CG1 3.41Å; L383-I387 PolarHBondContact O-N 3.17Å
384L94.4Very high94.9Very high75 Ų7565.2 Ų65.239%0.39334%0.344SS..Hα-helixtrans-60.5-44.8175.9-174.468.2000111.8N380 E381 F382 I386 I387 F388N380-L384 WeakPolarHBondContact O-CB 3.39Å; N380-L384 PolarHBondContact O-N 3.46Å; E381-L384 PolarHBondContact O-N 3.11Å; F382-L384 VanDerWaalsContact C-N 3.34Å; F382-L384 PolarHBondContact O-N 2.91Å; L384-I386 PolarHBondContact O-N 3.36Å; L384-I387 PolarHBondContact O-N 3.14Å; L384-F388 HydrophobicContact CD1-CD1 4.46Å; L384-F388 HydrophobicContact CD1-CE1 3.9Å; L384-F388 HydrophobicContact CD1-CE2 4.03Å; L384-F388 HydrophobicContact CD1-CZ 3.67Å; L384-F388 HydrophobicContact CD2-CE2 4.14Å; L384-F388 HydrophobicContact CD2-CZ 4.42Å; L384-F388 HydrophobicContact CG-CD2 4.24Å; L384-F388 HydrophobicContact CG-CE2 3.87Å; L384-F388 HydrophobicContact CG-CZ 4.06Å; L384-F388 PolarHBondContact O-N 3.01Å
385L95.6Very high95.2Very high37 Ų3769.5 Ų69.519%0.19437%0.366CS..Hα-helixtrans-59.4-46175.7175.261.1000111.5E381 F382 L383 I387 F388 L389 P468 V469E381-L385 WeakPolarHBondContact O-CB 3.19Å; E381-L385 PolarHBondContact O-N 3.5Å; F382-L385 PolarHBondContact O-N 3.26Å; L383-L385 PolarHBondContact O-N 3Å; L385-I387 VanDerWaalsContact C-N 3.34Å; L385-I387 PolarHBondContact O-N 3.35Å; L385-F388 PolarHBondContact O-N 2.77Å; L385-L389 WeakPolarHBondContact O-CB 3.23Å; L385-L389 PolarHBondContact O-N 2.98Å; L385-P468 HydrophobicContact CB-CB 4.27Å; L385-P468 HydrophobicContact CB-CG 3.72Å; L385-P468 HydrophobicContact CD1-CG 3.76Å; L385-P468 HydrophobicContact CG-CG 4.25Å; L385-V469 HydrophobicContact CD2-CG2 4.36Å
386I96.7Very high95.6Very high107 Ų10766.9 Ų66.955%0.54935%0.351SS..Hα-helixtrans-62.3-42.3178-69.2166.7000110.8F382 L383 L384 L389 A390F382-I386 VanDerWaalsContact O-CG1 3.31Å; F382-I386 WeakPolarHBondContact O-CG1 3.2Å; F382-I386 PolarHBondContact O-N 3.47Å; L383-I386 PolarHBondContact O-N 3.32Å; L384-I386 PolarHBondContact O-N 3.36Å; I386-L389 PolarHBondContact O-N 3.22Å; I386-A390 VanDerWaalsContact O-CB 3.26Å; I386-A390 WeakPolarHBondContact O-CB 3.31Å; I386-A390 PolarHBondContact O-N 3.22Å
387I96.7Very high96Very high78 Ų7859.2 Ų59.240%0.432%0.323SS..Hα-helixtrans-63.7-48.6178.3-70166.4000111L383 L384 L385 L389 A390 L391L383-I387 HydrophobicContact CD1-CD1 4.21Å; L383-I387 HydrophobicContact CD1-CG1 4.49Å; L383-I387 HydrophobicContact CG-CD1 3.98Å; L383-I387 VanDerWaalsContact O-CG1 3.29Å; L383-I387 WeakPolarHBondContact O-CG1 3.41Å; L383-I387 PolarHBondContact O-N 3.17Å; L384-I387 PolarHBondContact O-N 3.14Å; L385-I387 VanDerWaalsContact C-N 3.34Å; L385-I387 PolarHBondContact O-N 3.35Å; I387-L389 VanDerWaalsContact C-N 3.33Å; I387-L389 PolarHBondContact O-N 3.46Å; I387-A390 PolarHBondContact O-N 3.08Å; I387-L391 HydrophobicContact CG2-CD1 4.06Å; I387-L391 HydrophobicContact CG2-CG 4.47Å; I387-L391 WeakPolarHBondContact O-CG 3.48Å; I387-L391 PolarHBondContact O-N 3.28Å
388F96Very high96.5Very high64 Ų6459.4 Ų59.428%0.28132%0.32SS..Hα-helixtrans-61.9-41.6178-73.6-12.6000112.2L384 L385 G392 M467L384-F388 HydrophobicContact CD1-CD1 4.46Å; L384-F388 HydrophobicContact CD1-CE1 3.9Å; L384-F388 HydrophobicContact CD1-CE2 4.03Å; L384-F388 HydrophobicContact CD1-CZ 3.67Å; L384-F388 HydrophobicContact CD2-CE2 4.14Å; L384-F388 HydrophobicContact CD2-CZ 4.42Å; L384-F388 HydrophobicContact CG-CD2 4.24Å; L384-F388 HydrophobicContact CG-CE2 3.87Å; L384-F388 HydrophobicContact CG-CZ 4.06Å; L384-F388 PolarHBondContact O-N 3.01Å; L385-F388 PolarHBondContact O-N 2.77Å; F388-G392 PolarHBondContact O-N 3.24Å; F388-M467 HydrophobicContact CE2-SD 4.18Å
389L96.5Very high96.7Very high49 Ų4963.1 Ų63.126%0.25734%0.338SS..Hα-helixtrans-64.6-46.2176-164.381.6000111.1L385 I386 I387 L391 G392 V393 M435L385-L389 WeakPolarHBondContact O-CB 3.23Å; L385-L389 PolarHBondContact O-N 2.98Å; I386-L389 PolarHBondContact O-N 3.22Å; I387-L389 VanDerWaalsContact C-N 3.33Å; I387-L389 PolarHBondContact O-N 3.46Å; L389-L391 PolarHBondContact O-N 3.36Å; L389-G392 PolarHBondContact O-N 2.75Å; L389-V393 HydrophobicContact CG-CG2 4.22Å; L389-V393 VanDerWaalsContact O-CB 3.26Å; L389-V393 WeakPolarHBondContact O-CB 3.25Å; L389-V393 WeakPolarHBondContact O-CG2 3.38Å; L389-V393 PolarHBondContact O-N 3.26Å; L389-M435 HydrophobicContact CD1-CE 4.49Å
390A97.8Very high96.9Very high59 Ų5959.3 Ų59.349%0.48832%0.315SS..Hα-helixtrans-61.9-43.3-18000000112.4I386 I387 L394I386-A390 VanDerWaalsContact O-CB 3.26Å; I386-A390 WeakPolarHBondContact O-CB 3.31Å; I386-A390 PolarHBondContact O-N 3.22Å; I387-A390 PolarHBondContact O-N 3.08Å; A390-L394 WeakPolarHBondContact O-CB 3.31Å; A390-L394 PolarHBondContact O-N 3.28Å
391L97.4Very high97Very high98 Ų9855.2 Ų55.251%0.51329%0.29SS..Hα-helixtrans-64.7-46.8175.8-69.9177.3000111.6I387 L389 L394 I395I387-L391 HydrophobicContact CG2-CD1 4.06Å; I387-L391 HydrophobicContact CG2-CG 4.47Å; I387-L391 WeakPolarHBondContact O-CG 3.48Å; I387-L391 PolarHBondContact O-N 3.28Å; L389-L391 PolarHBondContact O-N 3.36Å; L391-L394 PolarHBondContact O-N 3.03Å; L391-I395 WeakPolarHBondContact O-CB 3.33Å; L391-I395 VanDerWaalsContact O-CG1 3.26Å; L391-I395 WeakPolarHBondContact O-CG1 3.38Å; L391-I395 PolarHBondContact O-N 3.33Å
392G97.4Very high97.1Very high9 Ų959.9 Ų59.99%0.09331%0.307CS..Hα-helixtrans-60.2-48.6177.300000112F388 L389 L394 I395 F396F388-G392 PolarHBondContact O-N 3.24Å; L389-G392 PolarHBondContact O-N 2.75Å; G392-L394 PolarHBondContact O-N 3.25Å; G392-I395 PolarHBondContact O-N 2.72Å; G392-F396 WeakPolarHBondContact O-CB 3.41Å; G392-F396 WeakPolarHBondContact O-CD2 3.44Å; G392-F396 PolarHBondContact O-N 3.16Å
393V98.4Very high97.2Very high16 Ų1657.2 Ų57.210%0.09730%0.297CS..Hα-helixtrans-58.5-46.2178.1168.50000111.2L389 A397 F428 A431 V432 M435L389-V393 HydrophobicContact CG-CG2 4.22Å; L389-V393 VanDerWaalsContact O-CB 3.26Å; L389-V393 WeakPolarHBondContact O-CB 3.25Å; L389-V393 WeakPolarHBondContact O-CG2 3.38Å; L389-V393 PolarHBondContact O-N 3.26Å; V393-A397 WeakPolarHBondContact O-CB 3.46Å; V393-A397 PolarHBondContact O-N 3.05Å; V393-F428 HydrophobicContact CG1-CB 3.76Å; V393-F428 HydrophobicContact CG1-CD1 3.69Å; V393-F428 HydrophobicContact CG1-CG 4Å; V393-A431 HydrophobicContact CB-CB 4.44Å; V393-A431 HydrophobicContact CG1-CB 4.3Å; V393-A431 HydrophobicContact CG2-CB 4.36Å; V393-V432 HydrophobicContact CG1-CG2 4.28Å; V393-V432 HydrophobicContact CG2-CG2 3.54Å; V393-M435 HydrophobicContact CG2-SD 4.11Å
394L98.6Very high97.2Very high89 Ų8952.7 Ų52.747%0.46627%0.274SS..Hα-helixtrans-63.8-46.6179.4179.161000112.6A390 L391 G392 T398 F428A390-L394 WeakPolarHBondContact O-CB 3.31Å; A390-L394 PolarHBondContact O-N 3.28Å; L391-L394 PolarHBondContact O-N 3.03Å; G392-L394 PolarHBondContact O-N 3.25Å; L394-T398 WeakPolarHBondContact O-CB 3.31Å; L394-T398 PolarHBondContact O-N 2.89Å; L394-T398 VanDerWaalsContact O-N 3.17Å; L394-T398 PolarHBondContact O-OG1 2.92Å; L394-F428 HydrophobicContact CD1-CE1 3.88Å; L394-F428 HydrophobicContact CD1-CZ 4.08Å
395I98.4Very high97.2Very high93 Ų9353.2 Ų53.248%0.47727%0.27SS..Hα-helixtrans-64.3-52.8-179.3-68.9168000110L391 G392 A397 T398 M399L391-I395 WeakPolarHBondContact O-CB 3.33Å; L391-I395 VanDerWaalsContact O-CG1 3.26Å; L391-I395 WeakPolarHBondContact O-CG1 3.38Å; L391-I395 PolarHBondContact O-N 3.33Å; G392-I395 PolarHBondContact O-N 2.72Å; I395-A397 PolarHBondContact O-N 3.19Å; I395-T398 PolarHBondContact O-N 3.34Å; I395-M399 HydrophobicContact CG2-CG 4.34Å; I395-M399 HydrophobicContact CG2-SD 3.71Å; I395-M399 WeakPolarHBondContact O-CG 3.49Å; I395-M399 PolarHBondContact O-N 2.97Å
396F98.5Very high97Very high22 Ų2256 Ų5610%0.09629%0.289CS..Hα-helixtrans-70-34.6-175.8-74.3-63.8000113G392 T398 M399 I400 W430 A431 M435 V453 L456 C457 A460G392-F396 WeakPolarHBondContact O-CB 3.41Å; G392-F396 WeakPolarHBondContact O-CD2 3.44Å; G392-F396 PolarHBondContact O-N 3.16Å; F396-T398 VanDerWaalsContact C-N 3.31Å; F396-T398 PolarHBondContact O-N 3.5Å; F396-M399 HydrophobicContact CD1-SD 4.27Å; F396-M399 HydrophobicContact CE1-SD 4.39Å; F396-M399 PolarHBondContact O-N 2.9Å; F396-I400 WeakPolarHBondContact O-CB 3.27Å; F396-I400 VanDerWaalsContact O-CG2 3.23Å; F396-I400 WeakPolarHBondContact O-CG2 3.23Å; F396-I400 PolarHBondContact O-N 3.38Å; F396-W430 HydrophobicContact CB-CZ3 4.42Å; F396-A431 HydrophobicContact CB-CB 4.3Å; F396-M435 HydrophobicContact CD2-SD 4.22Å; F396-V453 HydrophobicContact CD1-CG1 4.22Å; F396-L456 HydrophobicContact CE1-CB 4.09Å; F396-C457 HydrophobicContact CB-CB 4.28Å; F396-C457 HydrophobicContact CD1-CB 3.62Å; F396-C457 HydrophobicContact CD2-CB 4.23Å; F396-C457 HydrophobicContact CE1-CB 3.97Å; F396-C457 HydrophobicContact CG-CB 3.78Å; F396-C457 HydrophobicContact CZ-CB 4.43Å; F396-A460 HydrophobicContact CE2-CB 3.51Å; F396-A460 HydrophobicContact CZ-CB 3.52Å
397A98.5Very high96.6Very high0 Ų052.9 Ų52.90%028%0.283CS..Hα-helixtrans-63-38.1172.900000112.4V393 I395 I400 Y401 I424 F428V393-A397 WeakPolarHBondContact O-CB 3.46Å; V393-A397 PolarHBondContact O-N 3.05Å; I395-A397 PolarHBondContact O-N 3.19Å; A397-I400 WeakPolarHBondContact O-CG2 3.18Å; A397-Y401 VanDerWaalsContact O-CB 3.31Å; A397-Y401 WeakPolarHBondContact O-CB 3.41Å; A397-Y401 PolarHBondContact O-N 3.23Å; A397-I424 HydrophobicContact CB-CG2 4.16Å; A397-F428 HydrophobicContact CB-CD1 3.37Å; A397-F428 HydrophobicContact CB-CE1 3.77Å; A397-F428 HydrophobicContact CB-CG 4.42Å
398T98.3Very high96.3Very high45 Ų4550.4 Ų50.428%0.27627%0.274SS..Hα-helixtrans-70.7-45.5175.7-54.10000110.8L394 I395 F396 I400 Y401 Y402L394-T398 WeakPolarHBondContact O-CB 3.31Å; L394-T398 PolarHBondContact O-N 2.89Å; L394-T398 VanDerWaalsContact O-N 3.17Å; L394-T398 PolarHBondContact O-OG1 2.92Å; I395-T398 PolarHBondContact O-N 3.34Å; F396-T398 VanDerWaalsContact C-N 3.31Å; F396-T398 PolarHBondContact O-N 3.5Å; T398-I400 PolarHBondContact O-N 2.68Å; T398-Y401 PolarHBondContact O-N 2.89Å; T398-Y402 HydrophobicContact CG2-CD2 3.9Å; T398-Y402 HydrophobicContact CG2-CE2 3.84Å; T398-Y402 VanDerWaalsContact O-CD2 3.29Å; T398-Y402 WeakPolarHBondContact O-CD2 3.04Å; T398-Y402 PolarHBondContact O-N 3.21Å
399M98.1Very high95.9Very high77 Ų7753.3 Ų53.338%0.37929%0.288SS..Hα-helixtrans-61.1-45.3178.8-72.7177.368.300112.2I395 F396 Y402 A403 V453I395-M399 HydrophobicContact CG2-CG 4.34Å; I395-M399 HydrophobicContact CG2-SD 3.71Å; I395-M399 WeakPolarHBondContact O-CG 3.49Å; I395-M399 PolarHBondContact O-N 2.97Å; F396-M399 HydrophobicContact CD1-SD 4.27Å; F396-M399 HydrophobicContact CE1-SD 4.39Å; F396-M399 PolarHBondContact O-N 2.9Å; M399-Y402 PolarHBondContact O-N 3.48Å; M399-A403 WeakPolarHBondContact O-CB 3.18Å; M399-A403 PolarHBondContact O-N 3.1Å; M399-V453 HydrophobicContact CB-CG1 3.77Å; M399-V453 HydrophobicContact CB-CG2 4.27Å; M399-V453 HydrophobicContact CE-CG2 4.19Å
400I97.9Very high95.4Very high0 Ų057 Ų570%032%0.315CS..Hα-helixtrans-67.6-40.5-177.7-170.157.5000111.6F396 A397 T398 Y402 A403 E404 F421 W430 P445 V453F396-I400 WeakPolarHBondContact O-CB 3.27Å; F396-I400 VanDerWaalsContact O-CG2 3.23Å; F396-I400 WeakPolarHBondContact O-CG2 3.23Å; F396-I400 PolarHBondContact O-N 3.38Å; A397-I400 WeakPolarHBondContact O-CG2 3.18Å; T398-I400 PolarHBondContact O-N 2.68Å; I400-Y402 PolarHBondContact O-N 3.48Å; I400-A403 PolarHBondContact O-N 2.9Å; I400-E404 HydrophobicContact CD1-CG 3.89Å; I400-E404 HydrophobicContact CG1-CG 4.22Å; I400-E404 WeakPolarHBondContact O-CB 3.32Å; I400-E404 WeakPolarHBondContact O-CG 3.25Å; I400-E404 PolarHBondContact O-N 2.89Å; I400-F421 HydrophobicContact CB-CD1 4.46Å; I400-F421 HydrophobicContact CB-CE1 4.39Å; I400-F421 HydrophobicContact CD1-CE2 4.22Å; I400-F421 HydrophobicContact CD1-CZ 4.27Å; I400-F421 HydrophobicContact CG1-CD1 3.79Å; I400-F421 HydrophobicContact CG1-CD2 4.01Å; I400-F421 HydrophobicContact CG1-CE1 3.55Å; I400-F421 HydrophobicContact CG1-CE2 3.79Å; I400-F421 HydrophobicContact CG1-CG 4.01Å; I400-F421 HydrophobicContact CG1-CZ 3.55Å; I400-F421 HydrophobicContact CG2-CD1 3.73Å; I400-F421 HydrophobicContact CG2-CE1 3.84Å; I400-F421 HydrophobicContact CG2-CG 4.45Å; I400-W430 HydrophobicContact CB-CE3 4.08Å; I400-W430 HydrophobicContact CB-CH2 3.98Å; I400-W430 HydrophobicContact CB-CZ3 3.57Å; I400-W430 HydrophobicContact CD1-CH2 4.09Å; I400-W430 HydrophobicContact CD1-CZ2 4.33Å; I400-W430 HydrophobicContact CG1-CD2 4.49Å; I400-W430 HydrophobicContact CG1-CE3 4.14Å; I400-W430 HydrophobicContact CG1-CH2 3.9Å; I400-W430 HydrophobicContact CG1-CZ2 4.27Å; I400-W430 HydrophobicContact CG1-CZ3 3.84Å; I400-W430 HydrophobicContact CG2-CE3 3.69Å; I400-W430 HydrophobicContact CG2-CH2 4.49Å; I400-W430 HydrophobicContact CG2-CZ3 3.64Å; I400-P445 HydrophobicContact CD1-CB 4Å; I400-V453 HydrophobicContact CB-CG1 4.09Å; I400-V453 HydrophobicContact CD1-CB 4.34Å; I400-V453 HydrophobicContact CD1-CG1 4.38Å
401Y97Very high94.9Very high34 Ų3461.2 Ų61.213%0.13333%0.33CS..Hα-helixtrans-58.1-47.6177.1170.3-105.6000111.6A397 T398 R405 F421 I424A397-Y401 VanDerWaalsContact O-CB 3.31Å; A397-Y401 WeakPolarHBondContact O-CB 3.41Å; A397-Y401 PolarHBondContact O-N 3.23Å; T398-Y401 PolarHBondContact O-N 2.89Å; Y401-R405 WeakPolarHBondContact O-CG 3.26Å; Y401-R405 PolarHBondContact OH-NE 3.27Å; Y401-R405 PolarHBondContact OH-NH1 2.73Å; Y401-R405 PolarHBondContact OH-NH2 3.2Å; Y401-F421 WeakPolarHBondContact CD2-O 3.26Å; Y401-I424 HydrophobicContact CD1-CD1 4.44Å; Y401-I424 HydrophobicContact CD1-CG1 3.89Å; Y401-I424 HydrophobicContact CE1-CG1 4.4Å; Y401-I424 HydrophobicContact CG-CG1 4.03Å
402Y96.6Very high94.3Very high144 Ų14457.3 Ų57.357%0.56531%0.31SS*.Hα-helixtrans-72.8-35.5177.1-77-68.8000113T398 M399 I400 E404 R405T398-Y402 HydrophobicContact CG2-CD2 3.9Å; T398-Y402 HydrophobicContact CG2-CE2 3.84Å; T398-Y402 VanDerWaalsContact O-CD2 3.29Å; T398-Y402 WeakPolarHBondContact O-CD2 3.04Å; T398-Y402 PolarHBondContact O-N 3.21Å; M399-Y402 PolarHBondContact O-N 3.48Å; I400-Y402 PolarHBondContact O-N 3.48Å; Y402-E404 PolarHBondContact O-N 2.99Å; Y402-R405 PolarHBondContact O-N 3.27Å
403A96.9Very high93.7Very high11 Ų1163.5 Ų63.59%0.09135%0.348CS..Hα-helixtrans-66.4-36.3-18000000112.9M399 I400 R405 V406 T447 S449 V453M399-A403 WeakPolarHBondContact O-CB 3.18Å; M399-A403 PolarHBondContact O-N 3.1Å; I400-A403 PolarHBondContact O-N 2.9Å; A403-R405 VanDerWaalsContact C-N 3.32Å; A403-V406 WeakPolarHBondContact O-CB 3.29Å; A403-V406 PolarHBondContact O-N 2.99Å; A403-T447 PolarHBondContact O-OG1 3.49Å; A403-S449 PolarHBondContact O-OG 3.47Å; A403-V453 HydrophobicContact CB-CG2 3.83Å
404E95.4Very high93Very high0 Ų065.7 Ų65.70%036%0.364CS..Hα-helixtrans-72.6-26.4179.2-74.8-83.3116.100112.8I400 Y402 V406 G407 H418 T419 F421 P445 Q446 T447I400-E404 HydrophobicContact CD1-CG 3.89Å; I400-E404 HydrophobicContact CG1-CG 4.22Å; I400-E404 WeakPolarHBondContact O-CB 3.32Å; I400-E404 WeakPolarHBondContact O-CG 3.25Å; I400-E404 PolarHBondContact O-N 2.89Å; Y402-E404 PolarHBondContact O-N 2.99Å; E404-V406 VanDerWaalsContact C-N 3.28Å; E404-V406 PolarHBondContact O-N 3.15Å; E404-G407 PolarHBondContact O-N 3.47Å; E404-H418 PolarHBondContact O-CE1 3.31Å; E404-H418 PolarHBondContact O-NE2 2.96Å; E404-T419 HydrophobicContact CB-CG2 4.25Å; E404-T419 WeakPolarHBondContact OE2-CB 3.34Å; E404-T419 PolarHBondContact OE2-OG1 3.2Å; E404-F421 HydrophobicContact CB-CB 4.49Å; E404-F421 HydrophobicContact CB-CD2 4.39Å; E404-F421 HydrophobicContact CG-CB 4.44Å; E404-F421 HydrophobicContact CG-CD2 3.55Å; E404-F421 HydrophobicContact CG-CE2 4.12Å; E404-F421 HydrophobicContact CG-CG 4.24Å; E404-P445 WeakPolarHBondContact OE1-CA 3.46Å; E404-Q446 PolarHBondContact OE1-N 3.41Å; E404-Q446 PolarHBondContact OE2-N 3.02Å; E404-T447 PolarHBondContact OE1-N 3.43Å; E404-T447 PolarHBondContact OE1-OG1 3.36Å; E404-T447 VanDerWaalsContact OE1-OG1 3.08Å
405R94.2Very high92.1Very high86 Ų8662.9 Ų62.933%0.32535%0.354SS..Hα-helixtrans-72-17.8174.6-72.3-176.8152.2-146.8-11.1114Y401 Y402 A403 G407 A408 S414 S416Y401-R405 WeakPolarHBondContact O-CG 3.26Å; Y401-R405 PolarHBondContact OH-NE 3.27Å; Y401-R405 PolarHBondContact OH-NH1 2.73Å; Y401-R405 PolarHBondContact OH-NH2 3.2Å; Y402-R405 PolarHBondContact O-N 3.27Å; A403-R405 VanDerWaalsContact C-N 3.32Å; R405-G407 PolarHBondContact O-N 2.93Å; R405-A408 WeakPolarHBondContact O-CB 3.38Å; R405-A408 PolarHBondContact O-N 3.43Å; R405-A408 VanDerWaalsContact O-N 3.11Å; R405-S414 PolarHBondContact NH2-O 3.29Å; R405-S414 VanDerWaalsContact NH2-O 3.1Å; R405-S416 PolarHBondContact NE-OG 3.28Å; R405-S416 PolarHBondContact NH2-OG 3.08Å
406V91.8Very high91.5Very high95 Ų9558.7 Ų58.758%0.57633%0.333SS*.THydrogen-bonded Turntrans-62.8-31.1176.2178.70000111.6A403 E404 W448A403-V406 WeakPolarHBondContact O-CB 3.29Å; A403-V406 PolarHBondContact O-N 2.99Å; E404-V406 VanDerWaalsContact C-N 3.28Å; E404-V406 PolarHBondContact O-N 3.15Å; V406-W448 HydrophobicContact CG1-CZ2 4.5Å
407G87.7Confident91.1Very high41 Ų4164.6 Ų64.642%0.42336%0.36SS..THydrogen-bonded Turntrans-929.7176.500000114.5E404 R405E404-G407 PolarHBondContact O-N 3.47Å; R405-G407 PolarHBondContact O-N 2.93Å
408A89.8Confident90.6Very high27 Ų2766.9 Ų66.922%0.22337%0.371CS..  trans-64.9139.1-176.700000111.9R405 A415 H418R405-A408 WeakPolarHBondContact O-CB 3.38Å; R405-A408 PolarHBondContact O-N 3.43Å; R405-A408 VanDerWaalsContact O-N 3.11Å; A408-A415 HydrophobicContact CB-CB 4.17Å; A408-A415 WeakPolarHBondContact CB-O 3.49Å; A408-H418 WeakPolarHBondContact CA-CE1 3.35Å
409Q87.9Confident90.3Very high124 Ų12464.7 Ų64.758%0.57936%0.358SS*.  trans-69.3133.6174.4-63.5179.88.400109.1N411 D412Q409-N411 PolarHBondContact O-N 3.48Å; Q409-D412 PolarHBondContact O-N 3.5Å; Q409-D412 VanDerWaalsContact O-N 3.1Å
410P86.3Confident90.1Very high127 Ų12765.2 Ų65.283%0.82536%0.359SS*.THydrogen-bonded Turntrans-63.8-17.8-178.726.2-35.1000113.2
411N86.9Confident90Very high147 Ų14765.2 Ų65.279%0.78636%0.359SS*.THydrogen-bonded Turntrans-88.2-6.6-179.1-60.3-12.4000113.1Q409 P413Q409-N411 PolarHBondContact O-N 3.48Å; N411-P413 WeakPolarHBondContact O-CD 3.27Å
412D86Confident89.9Confident17 Ų1769.7 Ų69.79%0.09138%0.379CS..  trans-89.2114.1178.4170.515.8000110.5Q409 S414 A415 S416 E417Q409-D412 PolarHBondContact O-N 3.5Å; Q409-D412 VanDerWaalsContact O-N 3.1Å; D412-S414 VanDerWaalsContact CG-OG 3.25Å; D412-S414 PolarHBondContact O-N 3.46Å; D412-S414 WeakPolarHBondContact OD1-CA 3.39Å; D412-S414 WeakPolarHBondContact OD1-CB 3.42Å; D412-S414 PolarHBondContact OD1-N 2.94Å; D412-S414 PolarHBondContact OD1-OG 2.95Å; D412-S414 PolarHBondContact OD2-OG 3.07Å; D412-A415 PolarHBondContact O-N 3.5Å; D412-A415 PolarHBondContact OD1-N 3.3Å; D412-A415 WeakPolarHBondContact OD2-CA 3.13Å; D412-A415 PolarHBondContact OD2-N 2.85Å; D412-A415 VanDerWaalsContact OD2-N 3.14Å; D412-S416 PolarHBondContact OD2-N 3.18Å; D412-E417 WeakPolarHBondContact OD2-CB 3.26Å; D412-E417 PolarHBondContact OD2-N 2.94Å
413P83.6Confident89.8Confident138 Ų13866.1 Ų66.190%0.89637%0.37SS*.THydrogen-bonded Turntrans-62.1-25.4178-19.932.1000114N411N411-P413 WeakPolarHBondContact O-CD 3.27Å
414S83.9Confident89.9Confident62 Ų6268 Ų6843%0.43438%0.378SS..THydrogen-bonded Turntrans-86.7-15.6-178.676.40000113.2R405 D412 S416 E417R405-S414 PolarHBondContact NH2-O 3.29Å; R405-S414 VanDerWaalsContact NH2-O 3.1Å; D412-S414 VanDerWaalsContact CG-OG 3.25Å; D412-S414 PolarHBondContact O-N 3.46Å; D412-S414 WeakPolarHBondContact OD1-CA 3.39Å; D412-S414 WeakPolarHBondContact OD1-CB 3.42Å; D412-S414 PolarHBondContact OD1-N 2.94Å; D412-S414 PolarHBondContact OD1-OG 2.95Å; D412-S414 PolarHBondContact OD2-OG 3.07Å; S414-S416 PolarHBondContact O-N 3.06Å; S414-S416 VanDerWaalsContact O-N 3.1Å; S414-S416 PolarHBondContact O-OG 3.15Å; S414-S416 PolarHBondContact OG-N 3.12Å; S414-E417 PolarHBondContact OG-N 3.06Å
415A80.3Confident90Very high31 Ų3171.8 Ų71.826%0.25640%0.403SS..SBendtrans50.822.3-172.400000114A408 D412A408-A415 HydrophobicContact CB-CB 4.17Å; A408-A415 WeakPolarHBondContact CB-O 3.49Å; D412-A415 PolarHBondContact O-N 3.5Å; D412-A415 PolarHBondContact OD1-N 3.3Å; D412-A415 WeakPolarHBondContact OD2-CA 3.13Å; D412-A415 PolarHBondContact OD2-N 2.85Å; D412-A415 VanDerWaalsContact OD2-N 3.14Å
416S86.7Confident90.1Very high5 Ų570.4 Ų70.44%0.03540%0.401CS..  trans-152.913.3-171.9-57.60000113.3R405 D412 S414 H418 T419R405-S416 PolarHBondContact NE-OG 3.28Å; R405-S416 PolarHBondContact NH2-OG 3.08Å; D412-S416 PolarHBondContact OD2-N 3.18Å; S414-S416 PolarHBondContact O-N 3.06Å; S414-S416 VanDerWaalsContact O-N 3.1Å; S414-S416 PolarHBondContact O-OG 3.15Å; S414-S416 PolarHBondContact OG-N 3.12Å; S416-H418 VanDerWaalsContact C-N 3.33Å; S416-H418 PolarHBondContact O-N 3.43Å; S416-T419 WeakPolarHBondContact O-CG2 3.14Å; S416-T419 PolarHBondContact O-N 3.07Å; S416-T419 VanDerWaalsContact O-O 3.12Å
417E88.3Confident90.4Very high145 Ų14565.9 Ų65.968%0.67837%0.374SS*.THydrogen-bonded Turntrans-66.2-35.9-179.6-173.2172.8-153.500112.1D412 S414 T419D412-E417 WeakPolarHBondContact OD2-CB 3.26Å; D412-E417 PolarHBondContact OD2-N 2.94Å; S414-E417 PolarHBondContact OG-N 3.06Å; E417-T419 VanDerWaalsContact C-N 3.3Å; E417-T419 PolarHBondContact O-N 3.43Å
418H88.9Confident90.9Very high48 Ų4867.5 Ų67.522%0.22237%0.369CS..THydrogen-bonded Turntrans-75.3-17.2179.269.6-73.1000113.5E404 A408 S416 Q446E404-H418 PolarHBondContact O-CE1 3.31Å; E404-H418 PolarHBondContact O-NE2 2.96Å; A408-H418 WeakPolarHBondContact CA-CE1 3.35Å; S416-H418 VanDerWaalsContact C-N 3.33Å; S416-H418 PolarHBondContact O-N 3.43Å; H418-Q446 PolarHBondContact O-OE1 2.87Å
419T92.7Very high91.3Very high0 Ų071.9 Ų71.90%038%0.38CS..  trans-111.4150.3-171.8-179.80000112.2E404 S416 E417 F421E404-T419 HydrophobicContact CB-CG2 4.25Å; E404-T419 WeakPolarHBondContact OE2-CB 3.34Å; E404-T419 PolarHBondContact OE2-OG1 3.2Å; S416-T419 WeakPolarHBondContact O-CG2 3.14Å; S416-T419 PolarHBondContact O-N 3.07Å; S416-T419 VanDerWaalsContact O-O 3.12Å; E417-T419 VanDerWaalsContact C-N 3.3Å; E417-T419 PolarHBondContact O-N 3.43Å; T419-F421 VanDerWaalsContact C-N 3.26Å; T419-F421 WeakPolarHBondContact OG1-CD2 3.27Å; T419-F421 PolarHBondContact OG1-N 3.04Å; T419-F421 VanDerWaalsContact OG1-N 3.12Å
420Q93Very high91.8Very high87 Ų8766.3 Ų66.341%0.40735%0.354SS..SBendtrans-73.9-21.9171.4-55.7-53.6-4800111.5K422 M443Q420-K422 VanDerWaalsContact C-N 3.3Å; Q420-K422 PolarHBondContact O-N 3.44Å; Q420-M443 HydrophobicContact CB-CB 4.47Å; Q420-M443 HydrophobicContact CB-CE 3.55Å; Q420-M443 HydrophobicContact CB-CG 4.09Å; Q420-M443 WeakPolarHBondContact O-CE 3.29Å
421F96Very high92.4Very high1 Ų160.3 Ų60.30%0.00432%0.315CS..  trans-82.965.2-175.1-60.1-83.3000112.4I400 Y401 E404 T419 N423 W430 M443I400-F421 HydrophobicContact CB-CD1 4.46Å; I400-F421 HydrophobicContact CB-CE1 4.39Å; I400-F421 HydrophobicContact CD1-CE2 4.22Å; I400-F421 HydrophobicContact CD1-CZ 4.27Å; I400-F421 HydrophobicContact CG1-CD1 3.79Å; I400-F421 HydrophobicContact CG1-CD2 4.01Å; I400-F421 HydrophobicContact CG1-CE1 3.55Å; I400-F421 HydrophobicContact CG1-CE2 3.79Å; I400-F421 HydrophobicContact CG1-CG 4.01Å; I400-F421 HydrophobicContact CG1-CZ 3.55Å; I400-F421 HydrophobicContact CG2-CD1 3.73Å; I400-F421 HydrophobicContact CG2-CE1 3.84Å; I400-F421 HydrophobicContact CG2-CG 4.45Å; Y401-F421 WeakPolarHBondContact CD2-O 3.26Å; E404-F421 HydrophobicContact CB-CB 4.49Å; E404-F421 HydrophobicContact CB-CD2 4.39Å; E404-F421 HydrophobicContact CG-CB 4.44Å; E404-F421 HydrophobicContact CG-CD2 3.55Å; E404-F421 HydrophobicContact CG-CE2 4.12Å; E404-F421 HydrophobicContact CG-CG 4.24Å; T419-F421 VanDerWaalsContact C-N 3.26Å; T419-F421 WeakPolarHBondContact OG1-CD2 3.27Å; T419-F421 PolarHBondContact OG1-N 3.04Å; T419-F421 VanDerWaalsContact OG1-N 3.12Å; F421-N423 VanDerWaalsContact C-N 3.34Å; F421-N423 PolarHBondContact O-N 3.47Å; F421-W430 HydrophobicContact CE1-CB 3.6Å; F421-W430 AromaticContact CE1-CD1 3.93Å; F421-W430 AromaticContact CE1-CD2 3.54Å; F421-W430 HydrophobicContact CE1-CD2 3.54Å; F421-W430 AromaticContact CE1-CE3 3.94Å; F421-W430 HydrophobicContact CE1-CE3 3.94Å; F421-W430 AromaticContact CE1-CG 3.38Å; F421-W430 HydrophobicContact CE1-CG 3.38Å; F421-W430 HydrophobicContact CZ-CB 4.23Å; F421-W430 AromaticContact CZ-CD1 3.67Å; F421-W430 AromaticContact CZ-CD2 3.72Å; F421-W430 HydrophobicContact CZ-CD2 3.72Å; F421-W430 AromaticContact CZ-CE2 3.84Å; F421-W430 HydrophobicContact CZ-CE3 4.41Å; F421-W430 AromaticContact CZ-CG 3.6Å; F421-W430 HydrophobicContact CZ-CG 3.6Å; F421-W430 AromaticContact CZ-NE1 3.8Å; F421-M443 HydrophobicContact CD1-CE 3.86Å; F421-M443 HydrophobicContact CE1-CE 3.95Å; F421-M443 HydrophobicContact CG-CE 4.26Å; F421-M443 HydrophobicContact CZ-CE 4.41Å
422K94.8Very high92.9Very high127 Ų12755.8 Ų55.855%0.55229%0.292SS*.  trans-71.8-24.3-175.3-62.8-178.8-179.8-178.80114.4Q420 I426Q420-K422 VanDerWaalsContact C-N 3.3Å; Q420-K422 PolarHBondContact O-N 3.44Å; K422-I426 HydrophobicContact CB-CD1 4.21Å
423N95.3Very high93.5Very high69 Ų6955.1 Ų55.137%0.36929%0.289SS..SBendtrans-155.4168.1176.560.529000110.9F421 I426 G427F421-N423 VanDerWaalsContact C-N 3.34Å; F421-N423 PolarHBondContact O-N 3.47Å; N423-I426 PolarHBondContact O-N 3.33Å; N423-I426 VanDerWaalsContact OD1-CB 3.25Å; N423-I426 WeakPolarHBondContact OD1-CB 3.42Å; N423-I426 VanDerWaalsContact OD1-CD1 3.29Å; N423-I426 WeakPolarHBondContact OD1-CD1 3.49Å; N423-I426 WeakPolarHBondContact OD1-CG1 3.41Å; N423-I426 PolarHBondContact OD1-N 3.02Å; N423-G427 PolarHBondContact O-N 3.37Å
424I97.3Very high94.2Very high50 Ų5049.7 Ų49.726%0.25625%0.253SS..Hα-helixtrans-63.8-41.8-177.3-59.7173.3000112.6A397 Y401 I426 G427 F428A397-I424 HydrophobicContact CB-CG2 4.16Å; Y401-I424 HydrophobicContact CD1-CD1 4.44Å; Y401-I424 HydrophobicContact CD1-CG1 3.89Å; Y401-I424 HydrophobicContact CE1-CG1 4.4Å; Y401-I424 HydrophobicContact CG-CG1 4.03Å; I424-I426 VanDerWaalsContact C-N 3.31Å; I424-I426 PolarHBondContact O-N 2.85Å; I424-G427 CarbonylContact O-C 3.52Å; I424-G427 VanDerWaalsContact O-CA 3.23Å; I424-G427 WeakPolarHBondContact O-CA 3.36Å; I424-G427 PolarHBondContact O-N 3.3Å; I424-F428 HydrophobicContact CG2-CD1 4.45Å; I424-F428 HydrophobicContact CG2-CE1 3.69Å; I424-F428 HydrophobicContact CG2-CZ 3.88Å; I424-F428 PolarHBondContact O-N 2.9Å; I424-F428 VanDerWaalsContact O-N 3.09Å
425P97.8Very high94.9Very high80 Ų8046.8 Ų46.852%0.51923%0.233SC..Hα-helixtrans-60.7-35.6178.4-27.637000114.6G427 F428P425-G427 PolarHBondContact O-N 3.15Å; P425-F428 HydrophobicContact CB-CD2 4.22Å; P425-F428 HydrophobicContact CB-CE2 4.4Å; P425-F428 HydrophobicContact CG-CE2 4.48Å; P425-F428 VanDerWaalsContact O-CB 3.3Å; P425-F428 WeakPolarHBondContact O-CB 3.28Å; P425-F428 PolarHBondContact O-N 3.37Å
426I97Very high95.7Very high57 Ų5747.4 Ų47.429%0.29223%0.234SC..Hα-helixtrans-62.3-37.7170.8-74.4169.8000110.4K422 N423 I424 F428 W429 W430 M443K422-I426 HydrophobicContact CB-CD1 4.21Å; N423-I426 PolarHBondContact O-N 3.33Å; N423-I426 VanDerWaalsContact OD1-CB 3.25Å; N423-I426 WeakPolarHBondContact OD1-CB 3.42Å; N423-I426 VanDerWaalsContact OD1-CD1 3.29Å; N423-I426 WeakPolarHBondContact OD1-CD1 3.49Å; N423-I426 WeakPolarHBondContact OD1-CG1 3.41Å; N423-I426 PolarHBondContact OD1-N 3.02Å; I424-I426 VanDerWaalsContact C-N 3.31Å; I424-I426 PolarHBondContact O-N 2.85Å; I426-F428 VanDerWaalsContact C-N 3.26Å; I426-F428 PolarHBondContact O-N 3.37Å; I426-W429 PolarHBondContact O-N 3.32Å; I426-W430 PolarHBondContact O-N 3.34Å; I426-M443 HydrophobicContact CG2-CE 3.06Å; I426-M443 HydrophobicContact CG2-SD 3.5Å; I426-M443 WeakPolarHBondContact CG2-SD 3.36Å
427G97.8Very high96.2Very high0 Ų051.8 Ų51.80%026%0.26CS..Hα-helixtrans-60.3-30170.900000113.9N423 I424 P425 W430 A431N423-G427 PolarHBondContact O-N 3.37Å; I424-G427 CarbonylContact O-C 3.52Å; I424-G427 VanDerWaalsContact O-CA 3.23Å; I424-G427 WeakPolarHBondContact O-CA 3.36Å; I424-G427 PolarHBondContact O-N 3.3Å; P425-G427 PolarHBondContact O-N 3.15Å; G427-W430 PolarHBondContact O-N 3.46Å; G427-A431 VanDerWaalsContact O-CB 3.23Å; G427-A431 WeakPolarHBondContact O-CB 3.41Å; G427-A431 PolarHBondContact O-N 3.45Å
428F98.5Very high96.6Very high76 Ų7649.8 Ų49.833%0.33325%0.254SS..Hα-helixtrans-62.5-43.9175.9-61.1-29.4000111.6V393 L394 A397 I424 P425 I426 A431 V432V393-F428 HydrophobicContact CG1-CB 3.76Å; V393-F428 HydrophobicContact CG1-CD1 3.69Å; V393-F428 HydrophobicContact CG1-CG 4Å; L394-F428 HydrophobicContact CD1-CE1 3.88Å; L394-F428 HydrophobicContact CD1-CZ 4.08Å; A397-F428 HydrophobicContact CB-CD1 3.37Å; A397-F428 HydrophobicContact CB-CE1 3.77Å; A397-F428 HydrophobicContact CB-CG 4.42Å; I424-F428 HydrophobicContact CG2-CD1 4.45Å; I424-F428 HydrophobicContact CG2-CE1 3.69Å; I424-F428 HydrophobicContact CG2-CZ 3.88Å; I424-F428 PolarHBondContact O-N 2.9Å; I424-F428 VanDerWaalsContact O-N 3.09Å; P425-F428 HydrophobicContact CB-CD2 4.22Å; P425-F428 HydrophobicContact CB-CE2 4.4Å; P425-F428 HydrophobicContact CG-CE2 4.48Å; P425-F428 VanDerWaalsContact O-CB 3.3Å; P425-F428 WeakPolarHBondContact O-CB 3.28Å; P425-F428 PolarHBondContact O-N 3.37Å; I426-F428 VanDerWaalsContact C-N 3.26Å; I426-F428 PolarHBondContact O-N 3.37Å; F428-A431 PolarHBondContact O-N 2.97Å; F428-V432 WeakPolarHBondContact O-CG2 3.2Å; F428-V432 PolarHBondContact O-N 3.31Å
429W98.3Very high97Very high119 Ų11950 Ų5045%0.45127%0.268SS..Hα-helixtrans-58.9-52.2176.5165.2-112.5000111.4I426 A431 V432 V433 Y440 D442I426-W429 PolarHBondContact O-N 3.32Å; W429-A431 VanDerWaalsContact C-N 3.33Å; W429-A431 PolarHBondContact O-N 2.82Å; W429-V432 PolarHBondContact O-N 3.01Å; W429-V433 HydrophobicContact CD2-CG2 4.02Å; W429-V433 HydrophobicContact CE3-CG2 4.09Å; W429-V433 HydrophobicContact CH2-CG2 3.9Å; W429-V433 HydrophobicContact CZ2-CG2 3.79Å; W429-V433 HydrophobicContact CZ3-CG2 4.03Å; W429-V433 WeakPolarHBondContact O-CG2 3.21Å; W429-V433 PolarHBondContact O-N 3.36Å; W429-V433 VanDerWaalsContact O-N 3.1Å; W429-Y440 AromaticContact CH2-CD2 3.99Å; W429-Y440 HydrophobicContact CH2-CD2 3.99Å; W429-Y440 AromaticContact CH2-CE2 3.54Å; W429-Y440 HydrophobicContact CH2-CE2 3.54Å; W429-Y440 AromaticContact CZ2-CD2 3.66Å; W429-Y440 HydrophobicContact CZ2-CD2 3.66Å; W429-Y440 AromaticContact CZ2-CE2 3.73Å; W429-Y440 HydrophobicContact CZ2-CE2 3.73Å; W429-D442 PolarHBondContact NE1-OD2 2.83Å
430W98.5Very high97.2Very high7 Ų756.9 Ų56.93%0.02730%0.296CS..Hα-helixtrans-60.3-41.3177.8169.181.5000112.8F396 I400 F421 I426 G427 V433 T434 M443 V453 C457F396-W430 HydrophobicContact CB-CZ3 4.42Å; I400-W430 HydrophobicContact CB-CE3 4.08Å; I400-W430 HydrophobicContact CB-CH2 3.98Å; I400-W430 HydrophobicContact CB-CZ3 3.57Å; I400-W430 HydrophobicContact CD1-CH2 4.09Å; I400-W430 HydrophobicContact CD1-CZ2 4.33Å; I400-W430 HydrophobicContact CG1-CD2 4.49Å; I400-W430 HydrophobicContact CG1-CE3 4.14Å; I400-W430 HydrophobicContact CG1-CH2 3.9Å; I400-W430 HydrophobicContact CG1-CZ2 4.27Å; I400-W430 HydrophobicContact CG1-CZ3 3.84Å; I400-W430 HydrophobicContact CG2-CE3 3.69Å; I400-W430 HydrophobicContact CG2-CH2 4.49Å; I400-W430 HydrophobicContact CG2-CZ3 3.64Å; F421-W430 HydrophobicContact CE1-CB 3.6Å; F421-W430 AromaticContact CE1-CD1 3.93Å; F421-W430 AromaticContact CE1-CD2 3.54Å; F421-W430 HydrophobicContact CE1-CD2 3.54Å; F421-W430 AromaticContact CE1-CE3 3.94Å; F421-W430 HydrophobicContact CE1-CE3 3.94Å; F421-W430 AromaticContact CE1-CG 3.38Å; F421-W430 HydrophobicContact CE1-CG 3.38Å; F421-W430 HydrophobicContact CZ-CB 4.23Å; F421-W430 AromaticContact CZ-CD1 3.67Å; F421-W430 AromaticContact CZ-CD2 3.72Å; F421-W430 HydrophobicContact CZ-CD2 3.72Å; F421-W430 AromaticContact CZ-CE2 3.84Å; F421-W430 HydrophobicContact CZ-CE3 4.41Å; F421-W430 AromaticContact CZ-CG 3.6Å; F421-W430 HydrophobicContact CZ-CG 3.6Å; F421-W430 AromaticContact CZ-NE1 3.8Å; I426-W430 PolarHBondContact O-N 3.34Å; G427-W430 PolarHBondContact O-N 3.46Å; W430-V433 PolarHBondContact O-N 2.66Å; W430-T434 HydrophobicContact CZ2-CG2 4.32Å; W430-T434 PolarHBondContact NE1-OG1 3.08Å; W430-T434 VanDerWaalsContact O-CB 3.29Å; W430-T434 WeakPolarHBondContact O-CB 3.27Å; W430-T434 PolarHBondContact O-N 3.15Å; W430-T434 PolarHBondContact O-OG1 3.38Å; W430-M443 VanDerWaalsContact CD1-O 3.29Å; W430-V453 HydrophobicContact CH2-CG1 4.38Å; W430-C457 HydrophobicContact CH2-CB 3.94Å; W430-C457 HydrophobicContact CZ3-CB 4.41Å
431A98.4Very high97.4Very high0 Ų054.9 Ų54.90%030%0.298CS..Hα-helixtrans-64.3-43-179.900000111V393 F396 G427 F428 W429 T434 M435V393-A431 HydrophobicContact CB-CB 4.44Å; V393-A431 HydrophobicContact CG1-CB 4.3Å; V393-A431 HydrophobicContact CG2-CB 4.36Å; F396-A431 HydrophobicContact CB-CB 4.3Å; G427-A431 VanDerWaalsContact O-CB 3.23Å; G427-A431 WeakPolarHBondContact O-CB 3.41Å; G427-A431 PolarHBondContact O-N 3.45Å; F428-A431 PolarHBondContact O-N 2.97Å; W429-A431 VanDerWaalsContact C-N 3.33Å; W429-A431 PolarHBondContact O-N 2.82Å; A431-T434 PolarHBondContact O-N 2.97Å; A431-M435 WeakPolarHBondContact O-CB 3.45Å; A431-M435 WeakPolarHBondContact O-CG 3.37Å; A431-M435 PolarHBondContact O-N 3Å
432V98.2Very high97.4Very high52 Ų5258.6 Ų58.632%0.31532%0.318SS..Hα-helixtrans-59.9-49174.5171.70000111V393 F428 W429 T434 T436V393-V432 HydrophobicContact CG1-CG2 4.28Å; V393-V432 HydrophobicContact CG2-CG2 3.54Å; F428-V432 WeakPolarHBondContact O-CG2 3.2Å; F428-V432 PolarHBondContact O-N 3.31Å; W429-V432 PolarHBondContact O-N 3.01Å; V432-T434 VanDerWaalsContact C-N 3.31Å; V432-T434 PolarHBondContact O-N 3.43Å; V432-T436 WeakPolarHBondContact O-CB 3.3Å; V432-T436 WeakPolarHBondContact O-CG2 3.03Å; V432-T436 PolarHBondContact O-N 3.33Å; V432-T436 VanDerWaalsContact O-N 3.08Å; V432-T436 PolarHBondContact O-OG1 3.46Å
433V98.3Very high97.4Very high4 Ų453.6 Ų53.62%0.02430%0.297CS..Hα-helixtrans-63.3-36.7-178.2171.40000112W429 W430 T436 L438 G439 Y440W429-V433 HydrophobicContact CD2-CG2 4.02Å; W429-V433 HydrophobicContact CE3-CG2 4.09Å; W429-V433 HydrophobicContact CH2-CG2 3.9Å; W429-V433 HydrophobicContact CZ2-CG2 3.79Å; W429-V433 HydrophobicContact CZ3-CG2 4.03Å; W429-V433 WeakPolarHBondContact O-CG2 3.21Å; W429-V433 PolarHBondContact O-N 3.36Å; W429-V433 VanDerWaalsContact O-N 3.1Å; W430-V433 PolarHBondContact O-N 2.66Å; V433-T436 PolarHBondContact O-OG1 3.12Å; V433-L438 HydrophobicContact CG1-CB 4.12Å; V433-L438 WeakPolarHBondContact O-CB 3.19Å; V433-L438 PolarHBondContact O-N 3.39Å; V433-G439 PolarHBondContact O-N 3.31Å; V433-Y440 HydrophobicContact CB-CD2 4.36Å; V433-Y440 HydrophobicContact CG1-CD2 3.67Å; V433-Y440 HydrophobicContact CG1-CE2 4.3Å; V433-Y440 HydrophobicContact CG1-CG 4.21Å; V433-Y440 HydrophobicContact CG2-CD2 3.67Å; V433-Y440 HydrophobicContact CG2-CE2 3.78Å
434T98.2Very high97.5Very high24 Ų2456.3 Ų56.315%0.14730%0.303CS..Hα-helixtrans-80.9-43.3-178.8-60.10000111.8W430 A431 V432 T436 T437 C457 A458W430-T434 HydrophobicContact CZ2-CG2 4.32Å; W430-T434 PolarHBondContact NE1-OG1 3.08Å; W430-T434 VanDerWaalsContact O-CB 3.29Å; W430-T434 WeakPolarHBondContact O-CB 3.27Å; W430-T434 PolarHBondContact O-N 3.15Å; W430-T434 PolarHBondContact O-OG1 3.38Å; A431-T434 PolarHBondContact O-N 2.97Å; V432-T434 VanDerWaalsContact C-N 3.31Å; V432-T434 PolarHBondContact O-N 3.43Å; T434-T436 VanDerWaalsContact C-N 3.28Å; T434-T436 PolarHBondContact O-N 3.16Å; T434-T437 PolarHBondContact O-N 3.1Å; T434-C457 HydrophobicContact CG2-CB 4.16Å; T434-A458 HydrophobicContact CG2-CB 4.16Å
435M97.6Very high97.5Very high1 Ų155 Ų551%0.00530%0.298CS..Hα-helixtrans-63.7-34.1177.9-74.7-176.271.500112.4L389 V393 F396 A431 T437 G461L389-M435 HydrophobicContact CD1-CE 4.49Å; V393-M435 HydrophobicContact CG2-SD 4.11Å; F396-M435 HydrophobicContact CD2-SD 4.22Å; A431-M435 WeakPolarHBondContact O-CB 3.45Å; A431-M435 WeakPolarHBondContact O-CG 3.37Å; A431-M435 PolarHBondContact O-N 3Å; M435-T437 PolarHBondContact O-N 3.36Å; M435-G461 CarbonylContact O-C 3.58Å; M435-G461 VanDerWaalsContact O-CA 3.28Å; M435-G461 WeakPolarHBondContact O-CA 3.36Å
436T97.4Very high97.4Very high44 Ų4455.1 Ų55.127%0.2729%0.291SS..THydrogen-bonded Turntrans-82.43.9175.255.20000113.2V432 V433 T434 L438 I465V432-T436 WeakPolarHBondContact O-CB 3.3Å; V432-T436 WeakPolarHBondContact O-CG2 3.03Å; V432-T436 PolarHBondContact O-N 3.33Å; V432-T436 VanDerWaalsContact O-N 3.08Å; V432-T436 PolarHBondContact O-OG1 3.46Å; V433-T436 PolarHBondContact O-OG1 3.12Å; T434-T436 VanDerWaalsContact C-N 3.28Å; T434-T436 PolarHBondContact O-N 3.16Å; T436-L438 PolarHBondContact O-N 3.41Å; T436-L438 VanDerWaalsContact O-N 3.15Å; T436-L438 WeakPolarHBondContact OG1-CD1 3.26Å; T436-L438 WeakPolarHBondContact OG1-CG 3.44Å; T436-I465 HydrophobicContact CG2-CD1 3.9Å
437T97.7Very high97.3Very high97 Ų9753 Ų5360%0.59528%0.282SS*.THydrogen-bonded Turntrans57.820.9-178.365.90000114.5T434 M435 V462T434-T437 PolarHBondContact O-N 3.1Å; M435-T437 PolarHBondContact O-N 3.36Å; T437-V462 HydrophobicContact CG2-CG2 3.52Å
438L97.8Very high97.2Very high102 Ų10262.1 Ų62.153%0.53432%0.316SS..  trans-70.7-50.7177.8-73174.1000111.4V433 T436V433-L438 HydrophobicContact CG1-CB 4.12Å; V433-L438 WeakPolarHBondContact O-CB 3.19Å; V433-L438 PolarHBondContact O-N 3.39Å; T436-L438 PolarHBondContact O-N 3.41Å; T436-L438 VanDerWaalsContact O-N 3.15Å; T436-L438 WeakPolarHBondContact OG1-CD1 3.26Å; T436-L438 WeakPolarHBondContact OG1-CG 3.44Å
439G96.6Very high97.1Very high52 Ų5259 Ų5954%0.53630%0.304SS..  trans5757.9173.700000115.2V433 G441V433-G439 PolarHBondContact O-N 3.31Å; G439-G441 PolarHBondContact O-N 3.01Å
440Y97Very high97.1Very high146 Ų14653.4 Ų53.457%0.57328%0.282SS*.  trans-55.5-35.2178.9-67.5-54.5000114W429 V433W429-Y440 AromaticContact CH2-CD2 3.99Å; W429-Y440 HydrophobicContact CH2-CD2 3.99Å; W429-Y440 AromaticContact CH2-CE2 3.54Å; W429-Y440 HydrophobicContact CH2-CE2 3.54Å; W429-Y440 AromaticContact CZ2-CD2 3.66Å; W429-Y440 HydrophobicContact CZ2-CD2 3.66Å; W429-Y440 AromaticContact CZ2-CE2 3.73Å; W429-Y440 HydrophobicContact CZ2-CE2 3.73Å; V433-Y440 HydrophobicContact CB-CD2 4.36Å; V433-Y440 HydrophobicContact CG1-CD2 3.67Å; V433-Y440 HydrophobicContact CG1-CE2 4.3Å; V433-Y440 HydrophobicContact CG1-CG 4.21Å; V433-Y440 HydrophobicContact CG2-CD2 3.67Å; V433-Y440 HydrophobicContact CG2-CE2 3.78Å
441G95.8Very high97Very high45 Ų4558.2 Ų58.246%0.46431%0.307SS..SBendtrans85.87.7-17900000114.8G439 M443 Y444G439-G441 PolarHBondContact O-N 3.01Å; G441-M443 VanDerWaalsContact C-N 3.28Å; G441-Y444 WeakPolarHBondContact O-CD1 3.46Å
442D96.9Very high97Very high78 Ų7863.1 Ų63.142%0.41733%0.332SS..SBendtrans-66.2-32.3169.762.8-38.6000112.2W429W429-D442 PolarHBondContact NE1-OD2 2.83Å
443M95.4Very high97Very high23 Ų2361.2 Ų61.211%0.11332%0.321CS..SBendtrans-138.3132.3177-67.4-170.765.300110.7Q420 F421 I426 W430 G441Q420-M443 HydrophobicContact CB-CB 4.47Å; Q420-M443 HydrophobicContact CB-CE 3.55Å; Q420-M443 HydrophobicContact CB-CG 4.09Å; Q420-M443 WeakPolarHBondContact O-CE 3.29Å; F421-M443 HydrophobicContact CD1-CE 3.86Å; F421-M443 HydrophobicContact CE1-CE 3.95Å; F421-M443 HydrophobicContact CG-CE 4.26Å; F421-M443 HydrophobicContact CZ-CE 4.41Å; I426-M443 HydrophobicContact CG2-CE 3.06Å; I426-M443 HydrophobicContact CG2-SD 3.5Å; I426-M443 WeakPolarHBondContact CG2-SD 3.36Å; W430-M443 VanDerWaalsContact CD1-O 3.29Å; G441-M443 VanDerWaalsContact C-N 3.28Å
444Y97.1Very high97Very high126 Ų12661.6 Ų61.649%0.49433%0.325SS..  trans-153.6151179.653.3-90.2000110.9G441 Q446G441-Y444 WeakPolarHBondContact O-CD1 3.46Å; Y444-Q446 HydrophobicContact CD2-CG 4.05Å; Y444-Q446 HydrophobicContact CE2-CG 3.85Å
445P97Very high97Very high23 Ų2363 Ų6315%0.14934%0.339CS..  trans-61.6136.5175.523-32.4000111.6I400 E404 G450 M451I400-P445 HydrophobicContact CD1-CB 4Å; E404-P445 WeakPolarHBondContact OE1-CA 3.46Å; P445-G450 WeakPolarHBondContact CB-O 3.23Å; P445-M451 HydrophobicContact CB-CG 4.27Å; P445-M451 HydrophobicContact CG-CG 4.31Å
446Q94.9Very high97Very high81 Ų8166.8 Ų66.838%0.37936%0.359SS..  trans-113.5-12.5178.3-65.2-174.3-21.700112.6E404 H418 Y444E404-Q446 PolarHBondContact OE1-N 3.41Å; E404-Q446 PolarHBondContact OE2-N 3.02Å; H418-Q446 PolarHBondContact O-OE1 2.87Å; Y444-Q446 HydrophobicContact CD2-CG 4.05Å; Y444-Q446 HydrophobicContact CE2-CG 3.85Å
447T95.3Very high97.1Very high14 Ų1464.7 Ų64.79%0.08635%0.347CS..SBendtrans-100155.317570.50000111.7A403 E404 S449 G450 M451A403-T447 PolarHBondContact O-OG1 3.49Å; E404-T447 PolarHBondContact OE1-N 3.43Å; E404-T447 PolarHBondContact OE1-OG1 3.36Å; E404-T447 VanDerWaalsContact OE1-OG1 3.08Å; T447-S449 PolarHBondContact O-N 2.86Å; T447-S449 PolarHBondContact OG1-OG 2.71Å; T447-S449 VanDerWaalsContact OG1-OG 3.1Å; T447-G450 CarbonylContact O-C 3.6Å; T447-G450 PolarHBondContact O-N 2.94Å; T447-G450 VanDerWaalsContact O-N 3.12Å; T447-G450 PolarHBondContact OG1-N 2.9Å; T447-M451 VanDerWaalsContact O-CG 3.28Å; T447-M451 WeakPolarHBondContact O-CG 3.41Å; T447-M451 PolarHBondContact O-N 3.36Å
448W96.4Very high97.1Very high190 Ų19061.7 Ų61.772%0.7233%0.331SS*.Hα-helixtrans-58.4-37.9177.467.4-91.1000112.4V406 M451 L452V406-W448 HydrophobicContact CG1-CZ2 4.5Å; W448-M451 PolarHBondContact O-N 3.42Å; W448-L452 PolarHBondContact O-N 3.02Å; W448-L452 VanDerWaalsContact O-N 3.12Å
449S96.6Very high97.1Very high12 Ų1262.3 Ų62.38%0.08434%0.335CS..Hα-helixtrans-67.9-42.9176.142.40000110.6A403 T447 L452 V453A403-S449 PolarHBondContact O-OG 3.47Å; T447-S449 PolarHBondContact O-N 2.86Å; T447-S449 PolarHBondContact OG1-OG 2.71Å; T447-S449 VanDerWaalsContact OG1-OG 3.1Å; S449-L452 PolarHBondContact O-N 3.4Å; S449-V453 WeakPolarHBondContact O-CG2 3.08Å; S449-V453 PolarHBondContact O-N 2.97Å; S449-V453 VanDerWaalsContact O-N 3.12Å
450G97.4Very high97.2Very high0 Ų061.2 Ų61.20%032%0.32CS..Hα-helixtrans-62.1-40.9173.800000112.4P445 T447 L452 V453 G454P445-G450 WeakPolarHBondContact CB-O 3.23Å; T447-G450 CarbonylContact O-C 3.6Å; T447-G450 PolarHBondContact O-N 2.94Å; T447-G450 VanDerWaalsContact O-N 3.12Å; T447-G450 PolarHBondContact OG1-N 2.9Å; G450-L452 VanDerWaalsContact C-N 3.35Å; G450-L452 PolarHBondContact O-N 3.23Å; G450-V453 PolarHBondContact O-N 3.35Å; G450-G454 PolarHBondContact O-N 2.7Å
451M97.8Very high97.2Very high108 Ų10854.2 Ų54.253%0.53229%0.293SS..Hα-helixtrans-63-40.4178-71174.5-174.500111.7P445 T447 W448 G454 A455P445-M451 HydrophobicContact CB-CG 4.27Å; P445-M451 HydrophobicContact CG-CG 4.31Å; T447-M451 VanDerWaalsContact O-CG 3.28Å; T447-M451 WeakPolarHBondContact O-CG 3.41Å; T447-M451 PolarHBondContact O-N 3.36Å; W448-M451 PolarHBondContact O-N 3.42Å; M451-G454 PolarHBondContact O-N 3.45Å; M451-A455 PolarHBondContact O-N 3.39Å
452L98.2Very high97.3Very high103 Ų10355.8 Ų55.854%0.53929%0.293SS..Hα-helixtrans-61.9-45.7173.6-179.165.8000111.5W448 S449 G450 G454 A455 L456W448-L452 PolarHBondContact O-N 3.02Å; W448-L452 VanDerWaalsContact O-N 3.12Å; S449-L452 PolarHBondContact O-N 3.4Å; G450-L452 VanDerWaalsContact C-N 3.35Å; G450-L452 PolarHBondContact O-N 3.23Å; L452-G454 VanDerWaalsContact C-N 3.32Å; L452-G454 PolarHBondContact O-N 3.37Å; L452-A455 PolarHBondContact O-N 2.94Å; L452-L456 HydrophobicContact CG-CD1 4.37Å; L452-L456 WeakPolarHBondContact O-CG 3.25Å; L452-L456 PolarHBondContact O-N 3.2Å
453V98.3Very high97.2Very high13 Ų1357.4 Ų57.48%0.07930%0.301CS..Hα-helixtrans-61.9-41.5175.6175.50000111.1F396 M399 I400 A403 W430 S449 G450 L456 C457F396-V453 HydrophobicContact CD1-CG1 4.22Å; M399-V453 HydrophobicContact CB-CG1 3.77Å; M399-V453 HydrophobicContact CB-CG2 4.27Å; M399-V453 HydrophobicContact CE-CG2 4.19Å; I400-V453 HydrophobicContact CB-CG1 4.09Å; I400-V453 HydrophobicContact CD1-CB 4.34Å; I400-V453 HydrophobicContact CD1-CG1 4.38Å; A403-V453 HydrophobicContact CB-CG2 3.83Å; W430-V453 HydrophobicContact CH2-CG1 4.38Å; S449-V453 WeakPolarHBondContact O-CG2 3.08Å; S449-V453 PolarHBondContact O-N 2.97Å; S449-V453 VanDerWaalsContact O-N 3.12Å; G450-V453 PolarHBondContact O-N 3.35Å; V453-L456 PolarHBondContact O-N 2.9Å; V453-C457 VanDerWaalsContact O-CB 3.23Å; V453-C457 WeakPolarHBondContact O-CB 3.23Å; V453-C457 PolarHBondContact O-N 2.87Å
454G98.1Very high97.2Very high11 Ų1157.8 Ų57.811%0.11331%0.305CS..Hα-helixtrans-60.4-44175.900000113G450 M451 L452 C457 A458G450-G454 PolarHBondContact O-N 2.7Å; M451-G454 PolarHBondContact O-N 3.45Å; L452-G454 VanDerWaalsContact C-N 3.32Å; L452-G454 PolarHBondContact O-N 3.37Å; G454-C457 WeakPolarHBondContact O-CB 3.23Å; G454-C457 PolarHBondContact O-N 3.37Å; G454-A458 PolarHBondContact O-N 3.46Å
455A98.2Very high97.1Very high54 Ų5454 Ų5445%0.44629%0.293SS..Hα-helixtrans-63.1-44.4175.900000112.1M451 L452 A458 L459M451-A455 PolarHBondContact O-N 3.39Å; L452-A455 PolarHBondContact O-N 2.94Å; A455-A458 PolarHBondContact O-N 3.46Å; A455-L459 WeakPolarHBondContact O-CG 3.42Å; A455-L459 PolarHBondContact O-N 2.83Å; A455-L459 VanDerWaalsContact O-N 3.16Å
456L98.2Very high97Very high81 Ų8155.6 Ų55.642%0.42431%0.308SS..Hα-helixtrans-64.1-40175.8-69.5171.8000112.1F396 L452 V453 L459 A460F396-L456 HydrophobicContact CE1-CB 4.09Å; L452-L456 HydrophobicContact CG-CD1 4.37Å; L452-L456 WeakPolarHBondContact O-CG 3.25Å; L452-L456 PolarHBondContact O-N 3.2Å; V453-L456 PolarHBondContact O-N 2.9Å; L456-L459 PolarHBondContact O-N 2.92Å; L456-A460 VanDerWaalsContact O-CB 3.27Å; L456-A460 WeakPolarHBondContact O-CB 3.31Å; L456-A460 PolarHBondContact O-N 3.44Å
457C98.5Very high96.9Very high0 Ų057.3 Ų57.30%032%0.317CS..Hα-helixtrans-60.2-47.6176.9-1780000111.5F396 W430 T434 V453 G454 A460 G461F396-C457 HydrophobicContact CB-CB 4.28Å; F396-C457 HydrophobicContact CD1-CB 3.62Å; F396-C457 HydrophobicContact CD2-CB 4.23Å; F396-C457 HydrophobicContact CE1-CB 3.97Å; F396-C457 HydrophobicContact CG-CB 3.78Å; F396-C457 HydrophobicContact CZ-CB 4.43Å; W430-C457 HydrophobicContact CH2-CB 3.94Å; W430-C457 HydrophobicContact CZ3-CB 4.41Å; T434-C457 HydrophobicContact CG2-CB 4.16Å; V453-C457 VanDerWaalsContact O-CB 3.23Å; V453-C457 WeakPolarHBondContact O-CB 3.23Å; V453-C457 PolarHBondContact O-N 2.87Å; G454-C457 WeakPolarHBondContact O-CB 3.23Å; G454-C457 PolarHBondContact O-N 3.37Å; C457-A460 PolarHBondContact O-N 3.01Å; C457-G461 PolarHBondContact O-N 3.16Å
458A98.2Very high96.8Very high33 Ų3356.8 Ų56.827%0.27331%0.314SS..Hα-helixtrans-61.7-46.6177.900000112.1T434 G454 A455 G461 V462T434-A458 HydrophobicContact CG2-CB 4.16Å; G454-A458 PolarHBondContact O-N 3.46Å; A455-A458 PolarHBondContact O-N 3.46Å; A458-G461 PolarHBondContact O-N 3.34Å; A458-V462 WeakPolarHBondContact O-CG2 3.46Å; A458-V462 PolarHBondContact O-N 3.45Å; A458-V462 VanDerWaalsContact O-N 3.12Å
459L97.8Very high96.8Very high116 Ų11650.3 Ų50.361%0.60730%0.295SS*.Hα-helixtrans-63.1-46.2178.3-70.1172.8000112.2A455 L456 G461 V462 L463A455-L459 WeakPolarHBondContact O-CG 3.42Å; A455-L459 PolarHBondContact O-N 2.83Å; A455-L459 VanDerWaalsContact O-N 3.16Å; L456-L459 PolarHBondContact O-N 2.92Å; L459-G461 VanDerWaalsContact C-N 3.34Å; L459-G461 PolarHBondContact O-N 3.06Å; L459-V462 PolarHBondContact O-N 3.29Å; L459-L463 WeakPolarHBondContact O-CG 3.23Å; L459-L463 PolarHBondContact O-N 3.35Å; L459-L463 VanDerWaalsContact O-N 3.16Å
460A97.7Very high96.8Very high28 Ų2853.3 Ų53.323%0.23131%0.314CS..Hα-helixtrans-63.8-39.5177.200000111.8F396 L456 C457 L463 T464F396-A460 HydrophobicContact CE2-CB 3.51Å; F396-A460 HydrophobicContact CZ-CB 3.52Å; L456-A460 VanDerWaalsContact O-CB 3.27Å; L456-A460 WeakPolarHBondContact O-CB 3.31Å; L456-A460 PolarHBondContact O-N 3.44Å; C457-A460 PolarHBondContact O-N 3.01Å; A460-L463 PolarHBondContact O-N 3.09Å; A460-T464 WeakPolarHBondContact O-CB 3.49Å; A460-T464 VanDerWaalsContact O-CG2 3.27Å; A460-T464 WeakPolarHBondContact O-CG2 3.5Å; A460-T464 PolarHBondContact O-N 2.89Å; A460-T464 PolarHBondContact O-OG1 3.39Å
461G97.4Very high96.6Very high0 Ų056.4 Ų56.40%033%0.333CS..Hα-helixtrans-57.3-50.5175.500000113.1M435 C457 A458 L459 L463 T464 I465M435-G461 CarbonylContact O-C 3.58Å; M435-G461 VanDerWaalsContact O-CA 3.28Å; M435-G461 WeakPolarHBondContact O-CA 3.36Å; C457-G461 PolarHBondContact O-N 3.16Å; A458-G461 PolarHBondContact O-N 3.34Å; L459-G461 VanDerWaalsContact C-N 3.34Å; L459-G461 PolarHBondContact O-N 3.06Å; G461-L463 VanDerWaalsContact C-N 3.35Å; G461-L463 PolarHBondContact O-N 3.35Å; G461-T464 PolarHBondContact O-N 2.88Å; G461-T464 PolarHBondContact O-OG1 3.47Å; G461-I465 WeakPolarHBondContact O-CB 3.36Å; G461-I465 WeakPolarHBondContact O-CG1 3.29Å; G461-I465 PolarHBondContact O-N 3.05Å
462V97.2Very high96.5Very high78 Ų7852.2 Ų52.247%0.47331%0.313SS..Hα-helixtrans-58.2-47.1176.6174.20000111.2T437 A458 L459 A466T437-V462 HydrophobicContact CG2-CG2 3.52Å; A458-V462 WeakPolarHBondContact O-CG2 3.46Å; A458-V462 PolarHBondContact O-N 3.45Å; A458-V462 VanDerWaalsContact O-N 3.12Å; L459-V462 PolarHBondContact O-N 3.29Å; V462-A466 WeakPolarHBondContact O-CB 3.37Å; V462-A466 PolarHBondContact O-N 3.44Å
463L96.3Very high96.4Very high112 Ų11251.6 Ų51.659%0.58631%0.313SS*.Hα-helixtrans-65.8-43.5-179.2-68.1174.3000112.5L459 A460 G461 A466 M467L459-L463 WeakPolarHBondContact O-CG 3.23Å; L459-L463 PolarHBondContact O-N 3.35Å; L459-L463 VanDerWaalsContact O-N 3.16Å; A460-L463 PolarHBondContact O-N 3.09Å; G461-L463 VanDerWaalsContact C-N 3.35Å; G461-L463 PolarHBondContact O-N 3.35Å; L463-A466 PolarHBondContact O-N 3.33Å; L463-M467 WeakPolarHBondContact O-CG 3.33Å; L463-M467 PolarHBondContact O-N 3.17Å
464T95.4Very high96.2Very high31 Ų3155.4 Ų55.419%0.1933%0.333CS..Hα-helixtrans-68.3-41-178.252.40000112.6A460 G461 P468A460-T464 WeakPolarHBondContact O-CB 3.49Å; A460-T464 VanDerWaalsContact O-CG2 3.27Å; A460-T464 WeakPolarHBondContact O-CG2 3.5Å; A460-T464 PolarHBondContact O-N 2.89Å; A460-T464 PolarHBondContact O-OG1 3.39Å; G461-T464 PolarHBondContact O-N 2.88Å; G461-T464 PolarHBondContact O-OG1 3.47Å; T464-P468 WeakPolarHBondContact O-CD 3.34Å
465I94.9Very high95.9Very high47 Ų4756.1 Ų56.124%0.24133%0.334CS..Hα-helixtrans-70.2-37.2176.8-65.4174.2000110.9T436 G461 M467 V469T436-I465 HydrophobicContact CG2-CD1 3.9Å; G461-I465 WeakPolarHBondContact O-CB 3.36Å; G461-I465 WeakPolarHBondContact O-CG1 3.29Å; G461-I465 PolarHBondContact O-N 3.05Å; I465-M467 PolarHBondContact O-N 3.25Å; I465-V469 HydrophobicContact CG2-CG2 3.85Å; I465-V469 WeakPolarHBondContact O-CB 3.42Å; I465-V469 VanDerWaalsContact O-CG2 3.23Å; I465-V469 WeakPolarHBondContact O-CG2 3.39Å; I465-V469 PolarHBondContact O-N 3.26Å
466A95.4Very high95.7Very high55 Ų5556.9 Ų56.946%0.45533%0.328SS..Hα-helixtrans-68.2-11.9-18000000114.5V462 L463 P470V462-A466 WeakPolarHBondContact O-CB 3.37Å; V462-A466 PolarHBondContact O-N 3.44Å; L463-A466 PolarHBondContact O-N 3.33Å; A466-P470 WeakPolarHBondContact O-CD 3.45Å; A466-P470 WeakPolarHBondContact O-CG 3.35Å
467M92.1Very high95.5Very high118 Ų11854.5 Ų54.558%0.58132%0.323SS*.THydrogen-bonded Turntrans-76.3-60.9178.6-74.1178-16800113.1F388 L463 I465F388-M467 HydrophobicContact CE2-SD 4.18Å; L463-M467 WeakPolarHBondContact O-CG 3.33Å; L463-M467 PolarHBondContact O-N 3.17Å; I465-M467 PolarHBondContact O-N 3.25Å
468P94Very high95.2Very high3 Ų356.6 Ų56.62%0.01933%0.333CS..THydrogen-bonded Turntrans-83.5-29.1-176.531.5-36000114L385 T464 V471 I472L385-P468 HydrophobicContact CB-CB 4.27Å; L385-P468 HydrophobicContact CB-CG 3.72Å; L385-P468 HydrophobicContact CD1-CG 3.76Å; L385-P468 HydrophobicContact CG-CG 4.25Å; T464-P468 WeakPolarHBondContact O-CD 3.34Å; P468-V471 WeakPolarHBondContact O-CB 3.15Å; P468-V471 PolarHBondContact O-N 3.49Å; P468-V471 VanDerWaalsContact O-N 3.14Å; P468-I472 PolarHBondContact O-N 2.9Å
469V95.5Very high94.9Very high54 Ų5455.9 Ų55.933%0.32732%0.323SS..Hα-helixtrans-60.9-44.1-173.6173.50000112.9L385 I465 V471 I472 V473L385-V469 HydrophobicContact CD2-CG2 4.36Å; I465-V469 HydrophobicContact CG2-CG2 3.85Å; I465-V469 WeakPolarHBondContact O-CB 3.42Å; I465-V469 VanDerWaalsContact O-CG2 3.23Å; I465-V469 WeakPolarHBondContact O-CG2 3.39Å; I465-V469 PolarHBondContact O-N 3.26Å; V469-V471 VanDerWaalsContact C-N 3.25Å; V469-V471 PolarHBondContact O-N 2.81Å; V469-I472 PolarHBondContact O-N 3.21Å; V469-V473 HydrophobicContact CG1-CG2 4.17Å; V469-V473 WeakPolarHBondContact O-CG2 3.29Å; V469-V473 PolarHBondContact O-N 3.34Å
470P96.1Very high94.6Very high74 Ų7455 Ų5548%0.48131%0.312SS..Hα-helixtrans-60.1-32.7176.3-26.737.1000113.9A466 V473 N474A466-P470 WeakPolarHBondContact O-CD 3.45Å; A466-P470 WeakPolarHBondContact O-CG 3.35Å; P470-V473 PolarHBondContact O-N 3.32Å; P470-N474 WeakPolarHBondContact O-CB 3.34Å; P470-N474 PolarHBondContact O-N 3.48Å
471V94.5Very high94.4Very high65 Ų6557.3 Ų57.339%0.39433%0.327SS..Hα-helixtrans-65.1-46.7176-176.30000110.1E381 P468 V469 V473 N474 N475E381-V471 HydrophobicContact CG-CB 4.25Å; E381-V471 HydrophobicContact CG-CG1 3.81Å; P468-V471 WeakPolarHBondContact O-CB 3.15Å; P468-V471 PolarHBondContact O-N 3.49Å; P468-V471 VanDerWaalsContact O-N 3.14Å; V469-V471 VanDerWaalsContact C-N 3.25Å; V469-V471 PolarHBondContact O-N 2.81Å; V471-V473 VanDerWaalsContact C-N 3.35Å; V471-V473 PolarHBondContact O-N 2.81Å; V471-N474 PolarHBondContact O-N 3.04Å; V471-N475 PolarHBondContact O-N 3.34Å
472I94.7Very high94Very high21 Ų2158.7 Ų58.711%0.10833%0.334CS..Hα-helixtrans-61.7-43.7177.4-60.2168.6000110.8E381 F382 P468 V469 N474 N475 F476E381-I472 HydrophobicContact CB-CD1 4.02Å; E381-I472 HydrophobicContact CB-CG1 3.67Å; E381-I472 HydrophobicContact CG-CG1 4.41Å; F382-I472 HydrophobicContact CD1-CD1 4.34Å; F382-I472 HydrophobicContact CD2-CD1 4.29Å; F382-I472 HydrophobicContact CE1-CD1 4.2Å; F382-I472 HydrophobicContact CE2-CD1 4.11Å; F382-I472 HydrophobicContact CE2-CG2 4.05Å; F382-I472 HydrophobicContact CG-CD1 4.37Å; F382-I472 HydrophobicContact CZ-CD1 4.06Å; F382-I472 HydrophobicContact CZ-CG2 4.09Å; P468-I472 PolarHBondContact O-N 2.9Å; V469-I472 PolarHBondContact O-N 3.21Å; I472-N474 VanDerWaalsContact C-N 3.35Å; I472-N474 PolarHBondContact O-N 2.95Å; I472-N475 PolarHBondContact O-N 2.95Å; I472-F476 PolarHBondContact O-N 3.22Å
473V95.9Very high93.6Very high89 Ų8955.5 Ų55.554%0.53932%0.316SS..Hα-helixtrans-64.5-39.7178.2173.10000111.3V469 P470 V471 F476 G477V469-V473 HydrophobicContact CG1-CG2 4.17Å; V469-V473 WeakPolarHBondContact O-CG2 3.29Å; V469-V473 PolarHBondContact O-N 3.34Å; P470-V473 PolarHBondContact O-N 3.32Å; V471-V473 VanDerWaalsContact C-N 3.35Å; V471-V473 PolarHBondContact O-N 2.81Å; V473-F476 WeakPolarHBondContact O-CB 3.38Å; V473-F476 PolarHBondContact O-N 3.12Å; V473-G477 PolarHBondContact O-N 3.46Å
474N94.3Very high93.2Very high94 Ų9452 Ų5250%0.50330%0.297SS..Hα-helixtrans-63.5-44.5175.1-173.861000111.5P470 V471 I472 F476 G477 M478P470-N474 WeakPolarHBondContact O-CB 3.34Å; P470-N474 PolarHBondContact O-N 3.48Å; V471-N474 PolarHBondContact O-N 3.04Å; I472-N474 VanDerWaalsContact C-N 3.35Å; I472-N474 PolarHBondContact O-N 2.95Å; N474-F476 VanDerWaalsContact C-N 3.32Å; N474-F476 PolarHBondContact O-N 3.44Å; N474-G477 PolarHBondContact O-N 3.2Å; N474-G477 VanDerWaalsContact O-N 3.16Å; N474-M478 WeakPolarHBondContact O-CG 3.37Å; N474-M478 PolarHBondContact O-N 3.47Å
475N92.3Very high92.9Very high25 Ų2552.6 Ų52.613%0.13431%0.305CS..Hα-helixtrans-58.3-43.9174.4-71.2-7.6000111.8T374 S378 V471 I472 M478 Y479T374-N475 HydrophobicContact CG2-CB 4.12Å; S378-N475 PolarHBondContact OG-ND2 3.17Å; V471-N475 PolarHBondContact O-N 3.34Å; I472-N475 PolarHBondContact O-N 2.95Å; N475-M478 PolarHBondContact O-N 2.96Å; N475-Y479 VanDerWaalsContact O-CG 3.31Å; N475-Y479 PolarHBondContact O-N 3.26Å; N475-Y479 VanDerWaalsContact O-N 3.1Å
476F93.7Very high92.4Very high71 Ų7153.6 Ų53.631%0.31131%0.307SS..Hα-helixtrans-58.6-49.6173.7-177.7-106.2000111.7V370 L371 T374 I472 V473 N474 M478 Y479 Y480V370-F476 HydrophobicContact CG1-CD2 4.25Å; V370-F476 HydrophobicContact CG1-CE2 3.99Å; L371-F476 HydrophobicContact CB-CE2 4.17Å; L371-F476 HydrophobicContact CD1-CD2 4.31Å; L371-F476 HydrophobicContact CD1-CE2 4.34Å; T374-F476 HydrophobicContact CG2-CB 3.81Å; T374-F476 HydrophobicContact CG2-CD2 4.44Å; T374-F476 WeakPolarHBondContact OG1-CA 3.28Å; I472-F476 PolarHBondContact O-N 3.22Å; V473-F476 WeakPolarHBondContact O-CB 3.38Å; V473-F476 PolarHBondContact O-N 3.12Å; N474-F476 VanDerWaalsContact C-N 3.32Å; N474-F476 PolarHBondContact O-N 3.44Å; F476-M478 VanDerWaalsContact C-N 3.33Å; F476-M478 PolarHBondContact O-N 3.44Å; F476-Y479 PolarHBondContact O-N 3.49Å; F476-Y480 HydrophobicContact CZ-CD2 4.21Å; F476-Y480 WeakPolarHBondContact O-CB 3.39Å; F476-Y480 PolarHBondContact O-N 3.21Å
477G94.3Very high91.6Very high31 Ų3155.3 Ų55.332%0.3231%0.306SS..Hα-helixtrans-59.2-41.9-178.900000112.9V473 N474 S481V473-G477 PolarHBondContact O-N 3.46Å; N474-G477 PolarHBondContact O-N 3.2Å; N474-G477 VanDerWaalsContact O-N 3.16Å; G477-S481 VanDerWaalsContact O-CB 3.3Å; G477-S481 WeakPolarHBondContact O-CB 3.42Å; G477-S481 PolarHBondContact O-N 3.45Å; G477-S481 PolarHBondContact O-OG 2.66Å
478M91.4Very high91.2Very high43 Ų4358 Ų5821%0.21231%0.314CS..Hα-helixtrans-63.5-52.5176.1-67.6-168.9-53.500111.8Q158 N474 N475 F476 Y480 S481 L482Q158-M478 HydrophobicContact CG-SD 3.77Å; Q158-M478 PolarHBondContact NE2-SD 3.48Å; N474-M478 WeakPolarHBondContact O-CG 3.37Å; N474-M478 PolarHBondContact O-N 3.47Å; N475-M478 PolarHBondContact O-N 2.96Å; F476-M478 VanDerWaalsContact C-N 3.33Å; F476-M478 PolarHBondContact O-N 3.44Å; M478-Y480 VanDerWaalsContact C-N 3.35Å; M478-Y480 PolarHBondContact O-N 3.41Å; M478-S481 PolarHBondContact O-N 3.12Å; M478-L482 PolarHBondContact O-N 3.08Å
479Y92.1Very high90.6Very high18 Ų1863.3 Ų63.37%0.07134%0.342CS..Hα-helixtrans-65.7-38.4-178.2-62.7-16.1000112.4A162 A165 T374 A377 N475 F476 L482 A483A162-Y479 HydrophobicContact CB-CD1 3.89Å; A162-Y479 HydrophobicContact CB-CE1 3.84Å; A165-Y479 HydrophobicContact CB-CE1 3.92Å; A165-Y479 HydrophobicContact CB-CE2 4.06Å; T374-Y479 WeakPolarHBondContact OG1-CD2 3.35Å; A377-Y479 HydrophobicContact CB-CE2 3.68Å; A377-Y479 WeakPolarHBondContact CB-OH 3.11Å; N475-Y479 VanDerWaalsContact O-CG 3.31Å; N475-Y479 PolarHBondContact O-N 3.26Å; N475-Y479 VanDerWaalsContact O-N 3.1Å; F476-Y479 PolarHBondContact O-N 3.49Å; Y479-L482 PolarHBondContact O-N 2.88Å; Y479-A483 VanDerWaalsContact O-CB 3.29Å; Y479-A483 WeakPolarHBondContact O-CB 3.43Å; Y479-A483 PolarHBondContact O-N 3.46Å
480Y91.9Very high89.8Confident98 Ų9865.9 Ų65.938%0.38436%0.36SS..Hα-helixtrans-63.3-45.9175.4-175.4-98.9000111.5V370 F476 M478 L482 A483 M484V370-Y480 HydrophobicContact CG1-CD2 4.45Å; F476-Y480 HydrophobicContact CZ-CD2 4.21Å; F476-Y480 WeakPolarHBondContact O-CB 3.39Å; F476-Y480 PolarHBondContact O-N 3.21Å; M478-Y480 VanDerWaalsContact C-N 3.35Å; M478-Y480 PolarHBondContact O-N 3.41Å; Y480-L482 PolarHBondContact O-N 3.3Å; Y480-A483 PolarHBondContact O-N 2.88Å; Y480-M484 HydrophobicContact CD1-CG 4.1Å; Y480-M484 HydrophobicContact CE1-CG 3.73Å; Y480-M484 HydrophobicContact CE2-CE 4.09Å; Y480-M484 HydrophobicContact CE2-CG 4.25Å; Y480-M484 HydrophobicContact CE2-SD 4.42Å; Y480-M484 WeakPolarHBondContact O-CB 3.21Å; Y480-M484 VanDerWaalsContact O-CG 3.25Å; Y480-M484 WeakPolarHBondContact O-CG 3.38Å; Y480-M484 PolarHBondContact O-N 3.44Å
481S92.3Very high88.5Confident76 Ų7670.9 Ų70.953%0.53137%0.369SS..Hα-helixtrans-62.7-43.1178.8-60.30000111.9G477 M478 M484 A485G477-S481 VanDerWaalsContact O-CB 3.3Å; G477-S481 WeakPolarHBondContact O-CB 3.42Å; G477-S481 PolarHBondContact O-N 3.45Å; G477-S481 PolarHBondContact O-OG 2.66Å; M478-S481 PolarHBondContact O-N 3.12Å; S481-M484 PolarHBondContact O-N 2.82Å; S481-A485 WeakPolarHBondContact O-CB 3.36Å; S481-A485 PolarHBondContact O-N 3.03Å
482L90Very high87.1Confident29 Ų2977.4 Ų77.415%0.15239%0.392CS..Hα-helixtrans-65.4-44.5176.8-178.860000111.9A162 L166 M478 Y479 Y480 M484 A485 K486A162-L482 HydrophobicContact CB-CD2 3.7Å; L166-L482 HydrophobicContact CD1-CB 3.87Å; L166-L482 HydrophobicContact CD1-CD2 3.62Å; L166-L482 HydrophobicContact CD1-CG 3.61Å; L166-L482 HydrophobicContact CG-CD2 4.45Å; M478-L482 PolarHBondContact O-N 3.08Å; Y479-L482 PolarHBondContact O-N 2.88Å; Y480-L482 PolarHBondContact O-N 3.3Å; L482-M484 PolarHBondContact O-N 2.99Å; L482-A485 PolarHBondContact O-N 3.12Å; L482-K486 PolarHBondContact O-N 3.44Å
483A87.9Confident85.6Confident11 Ų1186.6 Ų86.69%0.09143%0.426CS..Hα-helixtrans-61.3-43.7176.300000111.8L166 V370 Y479 Y480 A485 K486 Q487L166-A483 HydrophobicContact CD1-CB 4.16Å; V370-A483 HydrophobicContact CG2-CB 3.62Å; Y479-A483 VanDerWaalsContact O-CB 3.29Å; Y479-A483 WeakPolarHBondContact O-CB 3.43Å; Y479-A483 PolarHBondContact O-N 3.46Å; Y480-A483 PolarHBondContact O-N 2.88Å; A483-A485 VanDerWaalsContact C-N 3.33Å; A483-A485 PolarHBondContact O-N 3.38Å; A483-K486 PolarHBondContact O-N 3.12Å; A483-Q487 WeakPolarHBondContact O-CG 3.48Å; A483-Q487 PolarHBondContact O-N 3.38Å
484M88.2Confident84.4Confident39 Ų3991.9 Ų91.919%0.19244%0.441CS..Hα-helixtrans-65.1-36.1175.5-70.1-61108.200112.3V366 Y480 S481 L482 Q487 K488V366-M484 HydrophobicContact CB-CE 4.31Å; V366-M484 HydrophobicContact CG1-CE 3.71Å; Y480-M484 HydrophobicContact CD1-CG 4.1Å; Y480-M484 HydrophobicContact CE1-CG 3.73Å; Y480-M484 HydrophobicContact CE2-CE 4.09Å; Y480-M484 HydrophobicContact CE2-CG 4.25Å; Y480-M484 HydrophobicContact CE2-SD 4.42Å; Y480-M484 WeakPolarHBondContact O-CB 3.21Å; Y480-M484 VanDerWaalsContact O-CG 3.25Å; Y480-M484 WeakPolarHBondContact O-CG 3.38Å; Y480-M484 PolarHBondContact O-N 3.44Å; S481-M484 PolarHBondContact O-N 2.82Å; L482-M484 PolarHBondContact O-N 2.99Å; M484-Q487 VanDerWaalsContact CE-OE1 3.25Å; M484-Q487 PolarHBondContact O-N 3.49Å; M484-K488 WeakPolarHBondContact O-CG 3.21Å; M484-K488 PolarHBondContact O-N 2.72Å; M484-K488 VanDerWaalsContact O-N 3.08Å
485A88.8Confident83.5Confident43 Ų4396.6 Ų96.636%0.35546%0.458SS..Hα-helixtrans-66.1-47.4174.700000111.5S481 L482 A483 Q487 K488 L489S481-A485 WeakPolarHBondContact O-CB 3.36Å; S481-A485 PolarHBondContact O-N 3.03Å; L482-A485 PolarHBondContact O-N 3.12Å; A483-A485 VanDerWaalsContact C-N 3.33Å; A483-A485 PolarHBondContact O-N 3.38Å; A485-Q487 PolarHBondContact O-N 3.36Å; A485-K488 PolarHBondContact O-N 3.1Å; A485-L489 WeakPolarHBondContact O-CD1 3.45Å; A485-L489 WeakPolarHBondContact O-CG 3.36Å; A485-L489 PolarHBondContact O-N 2.9Å
486K85.3Confident82.8Confident68 Ų68102.4 Ų102.430%0.29648%0.484SS..Hα-helixtrans-57.5-35.1175.3-74.7-166.9175.4-164.90111.6E163 D167 L482 A483E163-K486 IonicContact OE1-NZ 2.65Å; E163-K486 PolarHBondContact OE1-NZ 3.23Å; D167-K486 IonicContact OD1-NZ 3.26Å; D167-K486 PolarHBondContact OD1-NZ 3.02Å; L482-K486 PolarHBondContact O-N 3.44Å; A483-K486 PolarHBondContact O-N 3.12Å
487Q78.9Confident81.9Confident91 Ų91106.1 Ų106.143%0.42551%0.505SS..Hα-helixtrans-75.9-34.1177.3-73.3-171.7-27.700115A483 M484 A485A483-Q487 WeakPolarHBondContact O-CG 3.48Å; A483-Q487 PolarHBondContact O-N 3.38Å; M484-Q487 VanDerWaalsContact CE-OE1 3.25Å; M484-Q487 PolarHBondContact O-N 3.49Å; A485-Q487 PolarHBondContact O-N 3.36Å
488K83.4Confident81.1Confident174 Ų174109 Ų10976%0.75752%0.518SS*.Hα-helixtrans-81.4-28.7-178.9-74.1176.9-179.5178.80112.8M484 A485M484-K488 WeakPolarHBondContact O-CG 3.21Å; M484-K488 PolarHBondContact O-N 2.72Å; M484-K488 VanDerWaalsContact O-N 3.08Å; A485-K488 PolarHBondContact O-N 3.1Å
489L81.8Confident80.2Confident115 Ų115112.3 Ų112.360%0.60254%0.543SS*.SBendtrans-69.8128.6178.9-75.6162.5000109.8A485A485-L489 WeakPolarHBondContact O-CD1 3.45Å; A485-L489 WeakPolarHBondContact O-CG 3.36Å; A485-L489 PolarHBondContact O-N 2.9Å
490P77.9Confident78.5Confident108 Ų108115.4 Ų115.470%0.70157%0.572SS**PPolyproline II helixtrans-61.7147.2174.127.4-33.8000109.6K492P490-K492 PolarHBondContact O-N 3.45Å; P490-K492 VanDerWaalsContact O-N 3.11Å
491R69.3Low76.3Confident180 Ų180116.7 Ų116.768%0.67959%0.593SS**PPolyproline II helixtrans-49.5124.1175.6-65.3-176.287.8164.83.2108.8R493R491-R493 PolarHBondContact O-N 3.34Å
492K65.5Low73.5Confident201 Ų201121.3 Ų121.387%0.87461%0.606SS**  trans-60.9106.7-174.1-71.1-177.2179.9176.50109.2P490 K494P490-K492 PolarHBondContact O-N 3.45Å; P490-K492 VanDerWaalsContact O-N 3.11Å; K492-K494 PolarHBondContact O-N 3.27Å
493R62.9Low70.8Confident214 Ų214125.1 Ų125.181%0.80864%0.642SS**  trans-70.9119.5158.5-58.9-176.597.5179.45.2105.7R491 K495R491-R493 PolarHBondContact O-N 3.34Å; R493-K495 PolarHBondContact O-N 3.48Å
494K69.9Low68Low200 Ų200128.8 Ų128.887%0.8767%0.667SS**  trans-63.681.5178.1-70.7-179.9179.8176.10109.5K492 H496K492-K494 PolarHBondContact O-N 3.27Å; K494-H496 VanDerWaalsContact C-N 3.3Å
495K76.2Confident65.3Low194 Ų194131.2 Ų131.284%0.84369%0.687SS**  trans-70.3-31.2178.7-72.6-177.7176.9-178.20111.8R493 I497R493-K495 PolarHBondContact O-N 3.48Å; K495-I497 PolarHBondContact O-N 3.1Å
496H76.8Confident62.8Low147 Ų147133.5 Ų133.568%0.68170%0.699SS**  trans-80.6113.4176.3-174.8-95.9000109.3K494 P498K494-H496 VanDerWaalsContact C-N 3.3Å; H496-P498 WeakPolarHBondContact O-CD 3.41Å
497I75Confident60.4Low148 Ų148136.2 Ų136.276%0.75972%0.721SS**  trans-88.5112.4171.5-58.1170.2000105.6K495K495-I497 PolarHBondContact O-N 3.1Å
498P77.1Confident58.2Low93 Ų93140.9 Ų140.960%0.60474%0.74SS**PPolyproline II helixtrans-60139.8178.125-32000109.5H496 A500H496-P498 WeakPolarHBondContact O-CD 3.41Å; P498-A500 PolarHBondContact O-N 3.3Å
499P72.6Confident55.8Low111 Ų111137.1 Ų137.172%0.72174%0.735SS**PPolyproline II helixtrans-52.9138.5170.4-21.931.4000109.7
500A56.7Low53.4Low83 Ų83140.9 Ų140.969%0.68675%0.746SS**PPolyproline II helixtrans-56.5135173.500000108.9P498 Q502P498-A500 PolarHBondContact O-N 3.3Å; A500-Q502 PolarHBondContact O-N 2.84Å
501P44.8Very low51.2Low126 Ų126141.5 Ų141.582%0.81875%0.748SS**  trans-57.6113.1174.321.6-30.1000108.2A503P501-A503 PolarHBondContact O-N 3.39Å
502Q35.3Very low49.6Very low172 Ų172141.5 Ų141.580%0.80476%0.756SS**  trans-61.5121169.4-73.1-174.93.200106.9A500 S504A500-Q502 PolarHBondContact O-N 2.84Å; Q502-S504 PolarHBondContact O-N 2.85Å
503A32.3Very low48Very low110 Ų110140.1 Ų140.191%0.90976%0.757SS**SBendtrans-67.973.8177.900000110.2P501P501-A503 PolarHBondContact O-N 3.39Å
504S29.1Very low46.7Very low88 Ų88136.9 Ų136.962%0.61576%0.756SS**  trans-167.965.5168.860.20000110.1Q502Q502-S504 PolarHBondContact O-N 2.85Å
505S32Very low45.1Very low90 Ų90136 Ų13663%0.62976%0.757SS**  trans-165.1116.8157.4-82.60000109.1
506P36.4Very low43Very low91 Ų91131.2 Ų131.259%0.59175%0.754SS**  trans-71.6133.5179.516.4-11.7000110.8F508P506-F508 PolarHBondContact O-N 3.1Å
507T35.5Very low41Very low125 Ų125130.4 Ų130.477%0.76776%0.763SS**  trans-40120.5171.3-44.80000112.1C509T507-C509 VanDerWaalsContact C-N 3.33Å; T507-C509 PolarHBondContact O-N 3.42Å
508F32.5Very low38.9Very low189 Ų189131 Ų13183%0.82977%0.768SS**  trans-69.291.6168-172.9-97.6000108.7P506 K510P506-F508 PolarHBondContact O-N 3.1Å; F508-K510 HydrophobicContact CE1-CG 4.44Å; F508-K510 PolarHBondContact O-N 3.14Å
509C31.7Very low37.1Very low94 Ų94132.4 Ų132.464%0.63578%0.78SS**  trans-72.8115.9165.1-80.90000108.7T507 T511T507-C509 VanDerWaalsContact C-N 3.33Å; T507-C509 PolarHBondContact O-N 3.42Å; C509-T511 VanDerWaalsContact C-N 3.31Å; C509-T511 PolarHBondContact O-N 3.04Å
510K32.6Very low35.3Very low194 Ų194133.7 Ų133.784%0.84379%0.786SS**  trans-66.589.1166.1-134.3174.4-175.6171.20107.3F508F508-K510 HydrophobicContact CE1-CG 4.44Å; F508-K510 PolarHBondContact O-N 3.14Å
511T32.1Very low34.3Very low122 Ų122138.8 Ų138.875%0.74880%0.796SS**  trans-93.4107.9171.9-53.80000108.3C509 L513C509-T511 VanDerWaalsContact C-N 3.31Å; C509-T511 PolarHBondContact O-N 3.04Å; T511-L513 PolarHBondContact O-N 3.06Å
512E33.6Very low33.7Very low180 Ų180137.1 Ų137.184%0.84179%0.787SS**  trans-57.8123.8168.2-63.9-158.4136.300110N514E512-N514 PolarHBondContact O-N 3.47Å
513L33.7Very low33.6Very low171 Ų171135.9 Ų135.990%0.89579%0.786SS**  trans-68.9102.1163.5-90.8146.5000107.9T511T511-L513 PolarHBondContact O-N 3.06Å
514N35.4Very low33.7Very low146 Ų146136.9 Ų136.978%0.78178%0.781SS**  trans-152.8121151.7-112.2-12.2000113.3E512E512-N514 PolarHBondContact O-N 3.47Å
515M34.7Very low33.6Very low181 Ų181138 Ų13889%0.89279%0.788SS**  trans66.4119.4156.5-77.8177.4-17700120.9
516A32.2Very low33.5Very low94 Ų94142.1 Ų142.178%0.77780%0.801SS**  trans-58143.2163.700000113.1
517C35.1Very low33.2Very low131 Ų131141.2 Ų141.289%0.88581%0.809SS**  -174.5135.3121.4-103.40000111.7
518N31.3Very low33Very low159 Ų159145.1 Ų145.185%0.8582%0.815SS**  trans-61142.3177.7-65.8-33.4000112.8
519S40Very low32.8Very low123 Ų123143.8 Ų143.886%0.8682%0.817SS**  177.3140.1121.235.30000112.5
520T34Very low32.8Very low138 Ų138147 Ų14785%0.84783%0.828SS**  trans-69.5129.4177.737.70000113.6
521Q35.9Very low32.8Very low191 Ų191149.8 Ų149.889%0.89383%0.833SS**  trans-165.3139.1132.1-130.1166.523.300112.1
522S31.6Very low32.8Very low91 Ų91152 Ų15264%0.63684%0.839SS**  trans-55.7143.2171.945.30000113.3
523D34.9Very low32.7Very low145 Ų145151.8 Ų151.878%0.77584%0.843SS**  169.7127.7121.6-82.3-15.9000113.2
524T34.7Very low32.7Very low132 Ų132152.6 Ų152.681%0.8184%0.842SS**  trans62.2124.7141.3-32.90000122.2
525C25.2Very low32.6Very low112 Ų112153 Ų15376%0.75784%0.839SS**  trans-49.4141.2172-53.80000116.2
526L31Very low32.6Very low175 Ų175152 Ų15292%0.91684%0.837SS**  168.8121.6120.5-107.1134.8000112.3
527G29.3Very low32.7Very low73 Ų73158.8 Ų158.875%0.75384%0.843SS**  trans19.8114.2159.500000121.2
528K32.1Very low32.7Very low207 Ų207157.2 Ų157.290%0.983%0.833SS**  trans-163.471.5149.2-130.2165.7-175.91660113.8
529D28.8Very low32.6Very low161 Ų161152.4 Ų152.486%0.86182%0.821SS**  trans-97101.3163.4-75.8-41.3000109.8
530N31.4Very low32.4Very low161 Ų161156 Ų15686%0.86182%0.817SS**  trans172.681.5148.3-98.6-8.5000109.4
531R32.2Very low32.5Very low253 Ų253157.9 Ų157.996%0.95582%0.816SS**  trans-161.425.9164.9-116.7174.9-166.7-141.81.8115.8
532L31.2Very low32.3Very low167 Ų167157.3 Ų157.387%0.87481%0.811SS**  trans-127.440.8-174.8-126.2155.9000113.4
533L33.1Very low32.5Very low176 Ų176156.6 Ų156.692%0.92181%0.806SS**SBendtrans-13339173.5-102.9163.6000111.2
534E33.7Very low32.8Very low188 Ų188160.3 Ų160.388%0.87981%0.809SS**SBendtrans-138.30.4172.9-101.1-178.2138.300114.6
535H31.8Very low32.9Very low156 Ų156157.9 Ų157.972%0.72280%0.798SS**SBendtrans-99.9-5.4-173.9-152-85.6000115.9
536N34.4Very low33.5Very low159 Ų159159.1 Ų159.185%0.8580%0.796SS**SBendtrans-98.86.4178.1-84-20.1000115.1
537R36Very low33.8Very low236 Ų236158 Ų15889%0.89179%0.791SS**SBendtrans-89.9-4.3175.4-133.9174.4175.8127.8-0.1113.8
538S34.1Very low34.1Very low99 Ų99160 Ų16069%0.69278%0.784SS**SBendtrans-95.7-2.3-175.3-179.60000114.7
539G30.1Very low34.1Very low57 Ų57158.5 Ų158.559%0.58879%0.785SS**SBendtrans-94.4-16.3-174.600000116.2
540Y35.4Very low34.3Very low199 Ų199156 Ų15678%0.7879%0.786SS**SBendtrans-100.3-4.7-167.1-89.9-90.9000115.6K542Y540-K542 PolarHBondContact O-N 3.11Å
541E35.7Very low34.4Very low177 Ų177152 Ų15283%0.82778%0.782SS**THydrogen-bonded Turntrans-74.4-9.8174.1-83.6-172.8134.100113.6
542K32Very low34.3Very low179 Ų179149 Ų14978%0.77879%0.785SS**THydrogen-bonded Turntrans-88.4-15.6-178.6-141.3169.8-175.7177.80114.6Y540Y540-K542 PolarHBondContact O-N 3.11Å
543S35.8Very low34.4Very low77 Ų77145.8 Ų145.854%0.53878%0.782SS.*G310 helixtrans-84.6-14.1177.2-74.80000114.6S545 L546S543-S545 PolarHBondContact O-N 3.32Å; S543-L546 PolarHBondContact O-N 3.48Å
544R40.5Very low34.3Very low222 Ų222140.8 Ų140.884%0.83877%0.773SS**G310 helixtrans-71.3-13.3171.2-85.5-175.9174.5165.30.5113.5
545S37.8Very low34.3Very low81 Ų81140.2 Ų140.257%0.56678%0.776SS**G310 helixtrans-92.3-5.6179.3-166.30000114.2S543S543-S545 PolarHBondContact O-N 3.32Å
546L37Very low34.4Very low139 Ų139137 Ų13773%0.72878%0.776SS**SBendtrans-112.87.1-176.2-77.8171.7000115S543 N548S543-L546 PolarHBondContact O-N 3.48Å; L546-N548 PolarHBondContact O-N 3.42Å
547N37.3Very low34.1Very low151 Ų151137 Ų13781%0.80778%0.776SS**  trans-85.624.8164.6-75.2-2000112.7
548N34.7Very low33.8Very low115 Ų115136.5 Ų136.562%0.61577%0.774SS**  trans-100.9126.1166.2-71.8-46.8000106.8L546L546-N548 PolarHBondContact O-N 3.42Å
549I33.6Very low33.6Very low176 Ų176139.8 Ų139.890%0.90378%0.783SS**SBendtrans91.163.4176.5-44.6157.5000114.2
550A33.6Very low33.7Very low108 Ų108140.7 Ų140.789%0.89378%0.78SS**SBendtrans-167.3110.614400000109.4
551G32.6Very low33.5Very low76 Ų76137 Ų13778%0.78478%0.78SS**  trans137.117.5165.200000119.3A553G551-A553 VanDerWaalsContact C-N 3.29Å; G551-A553 PolarHBondContact O-N 3.5Å; G551-A553 VanDerWaalsContact O-N 3.1Å
552L30.5Very low33.5Very low191 Ų191135 Ų135100%178%0.78SS**  trans-7388.9154.1-103.7110.8000108
553A32.6Very low33.5Very low100 Ų100132.5 Ų132.583%0.82678%0.78SS**SBendtrans167.3124150.600000110.6G551G551-A553 VanDerWaalsContact C-N 3.29Å; G551-A553 PolarHBondContact O-N 3.5Å; G551-A553 VanDerWaalsContact O-N 3.1Å
554G31.3Very low33.3Very low70 Ų70134 Ų13472%0.72279%0.79SS**  trans114.534.8144.500000119.7A556G554-A556 PolarHBondContact O-N 3.2Å; G554-A556 VanDerWaalsContact O-N 3.07Å
555N32.8Very low33.2Very low176 Ų176128.1 Ų128.194%0.94178%0.781SS**  trans-80.873.4152.5-91.1-3.7000109.6L557N555-L557 PolarHBondContact O-N 2.67Å
556A34.2Very low33.1Very low89 Ų89134.4 Ų134.474%0.73679%0.794SS**  trans-73.2110.5155.300000107.5G554 R558G554-A556 PolarHBondContact O-N 3.2Å; G554-A556 VanDerWaalsContact O-N 3.07Å; A556-R558 PolarHBondContact O-N 2.79Å; A556-R558 VanDerWaalsContact O-N 3.15Å
557L29.3Very low33Very low160 Ų160134.3 Ų134.384%0.83879%0.794SS**  trans-26.7112.4157-68.9152.1000112N555N555-L557 PolarHBondContact O-N 2.67Å
558R30.1Very low33Very low225 Ų225131.9 Ų131.985%0.84979%0.789SS**  trans-130.389.8148.6-96.1-162.4179.3-1700.9109.7A556 S560A556-R558 PolarHBondContact O-N 2.79Å; A556-R558 VanDerWaalsContact O-N 3.15Å; R558-S560 PolarHBondContact O-N 3.23Å
559L29.1Very low33.1Very low168 Ų168132.2 Ų132.288%0.8880%0.797SS**  trans-54.2111.4141.6-78.8152.3000107.6
560S32.4Very low33Very low76 Ų76130 Ų13053%0.53180%0.796SS.*  trans-130.3119.5161.5-67.80000107.5R558 V562R558-S560 PolarHBondContact O-N 3.23Å; S560-V562 PolarHBondContact O-N 3.1Å
561P30.6Very low32.9Very low120 Ų120130.5 Ų130.578%0.77979%0.79SS**  trans-76.6120.8167.631.3-26.6000107.2
562V36.3Very low33.2Very low137 Ų137135.3 Ų135.383%0.8380%0.797SS**  trans-102.396.1167.6-178.60000107.9S560S560-V562 PolarHBondContact O-N 3.1Å
563T30.9Very low33.4Very low125 Ų125137.7 Ų137.777%0.76779%0.792SS**  trans-78.5145.7160.9400000111.1
564S33.3Very low33.3Very low108 Ų108143 Ų14376%0.75579%0.791SS**  trans104.6151.1152-145.50000117.4
565P37.5Very low33.5Very low100 Ų100145.4 Ų145.465%0.64980%0.797SS**  cis-135.3166.7-40.530.2-11.6000114.8
566Y34.7Very low33.6Very low213 Ų213146.8 Ų146.884%0.83579%0.789SS**  trans40.4122.6147.3-78.7-104.6000119.2
567N36Very low34Very low136 Ų136147.7 Ų147.773%0.72779%0.79SS**  174.1121.860.2-113.4-20.7000105
568S37.4Very low34.6Very low101 Ų101146 Ų14671%0.70679%0.788SS**  140.9153.581.5-80.80000107.1
569P35.6Very low35.1Very low121 Ų121142.1 Ų142.179%0.78678%0.783SS**  trans-111.2156.7-146.233.7-20.5000114.5
570C33.2Very low35.9Very low131 Ų131139.5 Ų139.589%0.88578%0.776SS**  trans-133.2131.9157.1-91.30000110.9
571P31.6Very low36.1Very low118 Ų118141 Ų14177%0.76679%0.787SS**  trans-99.9131.4-161.136-27.4000112
572L37.8Very low37.1Very low176 Ų176142.1 Ų142.192%0.92178%0.784SS**  trans-132.890.4162.8-80.9171.9000111.8
573R34.3Very low37.3Very low241 Ų241147.2 Ų147.291%0.90981%0.806SS**  trans4096.8140.5-126.3176.1-170.7-1572.5118.2S575R573-S575 PolarHBondContact O-N 3.07Å
574R31Very low37.6Very low213 Ų213148.4 Ų148.480%0.80481%0.808SS**  trans-57.6117.9157.7-156178.1-161.1174.46.1110.3
575S35.6Very low37.9Very low120 Ų120150.5 Ų150.584%0.83981%0.811SS**  trans-100.1108.9156.3-167.30000108R573R573-S575 PolarHBondContact O-N 3.07Å
576R35.5Very low37.9Very low205 Ų205153.3 Ų153.377%0.77482%0.82SS**  trans-76.8129.2165.8-83.4177.1167.4175-4.6107.6
577S42Very low38.1Very low108 Ų108149.8 Ų149.876%0.75582%0.819SS**  trans-133.4137.3148.7560000108.6
578P42.4Very low38.2Very low124 Ų124150.6 Ų150.681%0.80582%0.824SS**  trans-81.5150.4-164.333.7-34.1000112.7
579I39.7Very low38.3Very low143 Ų143153.9 Ų153.973%0.73383%0.832SS**  trans-58.4150.1163-62.4161000109.4
580P47Very low38.4Very low113 Ų113156.3 Ų156.373%0.73484%0.836SS**  trans-121114.8135.222.4-6.8000110.1
581S36Very low38.9Very low108 Ų108158.2 Ų158.276%0.75583%0.832SS**  trans-66.6123.7160.3-50.60000106.6
582I51.5Low39.5Very low143 Ų143161.6 Ų161.673%0.73384%0.837SS**  trans-131.6110.4160.2-64.8179.1000105.3
583L40.7Very low39.6Very low245 Ų245160.3 Ų160.3100%1.28383%0.83SS**  trans51.30161.1-76.6153.3000118.8

Retrieved 583 of 583 residues in 453.3 ms (Link to these results)