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Voltage-gated potassium channel KCNC2

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, Species HUMAN (Homo sapiens, Human), Gene KCNC2, Length 638 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
1M33.8Very low61.1Low251 Ų251128.2 Ų128.2100%1.23665%0.649SS**  0114.50-90.687.2164.900109
2G33.4Very low63.8Low76 Ų76117.6 Ų117.678%0.78460%0.595SS**  trans164.2115.6176.800000113.3
3K36.3Very low66.2Low200 Ų200110.2 Ų110.287%0.8756%0.558SS**  trans73.481.1166.3-63.9-178.5176.6177.20118.9
4I46.4Very low68.3Low169 Ų169102.4 Ų102.487%0.86752%0.518SS*.  trans-117.52.5156.9-61.9177.7000111.9N6I4-N6 PolarHBondContact O-N 3.01Å
5E51.8Low69.9Low189 Ų18997.9 Ų97.988%0.88351%0.508SS*.THydrogen-bonded Turntrans-81.41.9-172-78.7-178.6142.100117.1
6N56Low71.2Confident115 Ų11595.1 Ų95.162%0.61551%0.511SS*.THydrogen-bonded Turntrans-98.41.7-166.9-90.7-1.7000117.5I4 S24I4-N6 PolarHBondContact O-N 3.01Å; N6-S24 VanDerWaalsContact O-CB 3.27Å; N6-S24 WeakPolarHBondContact O-CB 3.49Å; N6-S24 PolarHBondContact O-OG 2.93Å; N6-S24 VanDerWaalsContact O-OG 3.06Å
7N65.3Low72.5Confident108 Ų10893.2 Ų93.258%0.57850%0.504SS*.  trans-130.533.8-172.4-942000115R9 Y22N7-R9 PolarHBondContact O-N 2.93Å; N7-Y22 HydrophobicContact CB-CD1 4.15Å; N7-Y22 HydrophobicContact CB-CE1 4.36Å
8E81.8Confident73.7Confident94 Ų9497.4 Ų97.444%0.43951%0.511SS..  trans-63.5124.5169.3-166.8-177.4-176.200110.3Y22 R23E8-Y22 WeakPolarHBondContact O-CA 3.31Å; E8-R23 HydrophobicContact CB-CB 4.5Å; E8-R23 PolarHBondContact O-N 3.41Å
9R87Confident74.8Confident157 Ų15793.8 Ų93.859%0.59249%0.491SS*.EExtended strand (participates in β ladder)trans-78.3135175.7-78.6-174.4-85.8-161.3-5.7110.1N7 T21 Y22N7-R9 PolarHBondContact O-N 2.93Å; R9-T21 WeakPolarHBondContact CA-O 3.19Å; R9-Y22 HydrophobicContact CG-CD1 3.87Å; R9-Y22 HydrophobicContact CG-CE1 3.52Å
10V89Confident75.6Confident11 Ų1194.9 Ų94.97%0.06749%0.494CS..EExtended strand (participates in β ladder)trans-121.3136.6178.2-178.60000108.7L12 T21 R23 F102V10-L12 HydrophobicContact CG1-CD2 3.93Å; V10-L12 HydrophobicContact CG1-CG 4.4Å; V10-T21 PolarHBondContact N-O 3.34Å; V10-T21 PolarHBondContact O-N 2.7Å; V10-R23 HydrophobicContact CG2-CB 4.28Å; V10-F102 HydrophobicContact CG1-CD2 3.7Å; V10-F102 HydrophobicContact CG1-CE2 3.69Å
11I91.7Very high76.4Confident40 Ų4090.7 Ų90.721%0.20547%0.472CS..EExtended strand (participates in β ladder)trans-104.3125.8176.6-53.8178.2000108.3R18 E20 R100 E101 F102I11-R18 HydrophobicContact CG2-CB 4.44Å; I11-R18 HydrophobicContact CG2-CG 4.42Å; I11-E20 HydrophobicContact CG1-CG 4.42Å; I11-R100 PolarHBondContact N-O 2.95Å; I11-E101 HydrophobicContact CB-CB 4.11Å; I11-E101 HydrophobicContact CB-CG 4.16Å; I11-E101 HydrophobicContact CG2-CB 4.31Å; I11-E101 HydrophobicContact CG2-CG 3.84Å; I11-E101 CarbonylContact O-C 3.45Å; I11-E101 VanDerWaalsContact O-CA 3.27Å; I11-E101 WeakPolarHBondContact O-CA 3.37Å; I11-F102 PolarHBondContact O-N 2.74Å
12L93.5Very high79.1Confident1 Ų183.2 Ų83.21%0.00543%0.431CS..EExtended strand (participates in β ladder)trans-115.9111.6177.5-55.6175.5000108.3V10 H19 T21 L26 L34 F102 F104 F111V10-L12 HydrophobicContact CG1-CD2 3.93Å; V10-L12 HydrophobicContact CG1-CG 4.4Å; L12-H19 HydrophobicContact CB-CB 4.44Å; L12-H19 PolarHBondContact N-O 3.43Å; L12-H19 PolarHBondContact O-N 3.45Å; L12-T21 HydrophobicContact CD1-CG2 4.11Å; L12-L26 HydrophobicContact CD1-CD1 4.3Å; L12-L26 HydrophobicContact CD1-CD2 4.35Å; L12-L34 HydrophobicContact CD1-CD1 4.25Å; L12-L34 HydrophobicContact CD1-CD2 4.17Å; L12-F102 CarbonylContact C-O 3.52Å; L12-F102 HydrophobicContact CD2-CB 3.96Å; L12-F102 HydrophobicContact CD2-CD2 3.92Å; L12-F102 HydrophobicContact CD2-CG 4.3Å; L12-F104 HydrophobicContact CD2-CE2 4.21Å; L12-F111 HydrophobicContact CB-CE1 4.19Å; L12-F111 HydrophobicContact CB-CZ 4.16Å; L12-F111 HydrophobicContact CD1-CE1 4.27Å; L12-F111 HydrophobicContact CD1-CZ 3.67Å
13N94.5Very high81.8Confident22 Ų2282 Ų8212%0.11840%0.403CS..EExtended strand (participates in β ladder)trans-98103.2178.9-173.1-22.9000109.4G16 T17 R18 E101 F102 F103 F104N13-G16 VanDerWaalsContact OD1-C 3.23Å; N13-G16 WeakPolarHBondContact OD1-CA 3.46Å; N13-G16 PolarHBondContact OD1-N 3.5Å; N13-T17 CarbonylContact C-O 3.51Å; N13-T17 WeakPolarHBondContact CA-O 3.38Å; N13-R18 HydrophobicContact CB-CG 4.46Å; N13-E101 HydrophobicContact CB-CG 4.16Å; N13-E101 WeakPolarHBondContact CB-OE1 3.34Å; N13-E101 PolarHBondContact ND2-OE1 2.8Å; N13-F102 PolarHBondContact N-O 2.79Å; N13-F103 HydrophobicContact CB-CD2 4.1Å; N13-F103 CarbonylContact O-C 3.51Å; N13-F103 VanDerWaalsContact O-CA 3.29Å; N13-F103 WeakPolarHBondContact O-CA 3.45Å; N13-F103 WeakPolarHBondContact O-CD2 2.94Å; N13-F104 PolarHBondContact O-N 2.96Å
14V95.3Very high84.4Confident0 Ų074.6 Ų74.60%038%0.376CS..EExtended strand (participates in β ladder)trans-111.9118.3-176.2-173.90000109.3G16 T17 F104 R106 P108 F111 W141V14-G16 PolarHBondContact O-N 3.08Å; V14-G16 VanDerWaalsContact O-N 3.11Å; V14-T17 PolarHBondContact N-O 3.2Å; V14-T17 WeakPolarHBondContact O-CB 3.36Å; V14-T17 PolarHBondContact O-N 2.79Å; V14-F104 CarbonylContact C-O 3.53Å; V14-F104 VanDerWaalsContact CA-O 3.31Å; V14-F104 WeakPolarHBondContact CA-O 3.44Å; V14-F104 HydrophobicContact CG1-CB 4.38Å; V14-F104 HydrophobicContact CG2-CB 4.22Å; V14-F104 HydrophobicContact CG2-CD2 4.05Å; V14-R106 HydrophobicContact CG1-CB 3.91Å; V14-P108 WeakPolarHBondContact O-CB 3.27Å; V14-F111 HydrophobicContact CB-CB 4.19Å; V14-F111 HydrophobicContact CB-CD1 3.99Å; V14-F111 HydrophobicContact CB-CG 4Å; V14-F111 HydrophobicContact CG1-CB 3.83Å; V14-F111 HydrophobicContact CG1-CD1 4.49Å; V14-F111 HydrophobicContact CG1-CD2 4.43Å; V14-F111 HydrophobicContact CG1-CG 3.99Å; V14-F111 HydrophobicContact CG2-CB 4.32Å; V14-F111 HydrophobicContact CG2-CD1 3.46Å; V14-F111 VanDerWaalsContact CG2-CD1 3.46Å; V14-F111 HydrophobicContact CG2-CD2 3.88Å; V14-F111 HydrophobicContact CG2-CE1 3.61Å; V14-F111 HydrophobicContact CG2-CE2 4Å; V14-F111 HydrophobicContact CG2-CG 3.59Å; V14-F111 HydrophobicContact CG2-CZ 3.88Å; V14-W141 HydrophobicContact CG1-CZ2 4.41Å; V14-W141 HydrophobicContact CG2-CH2 4.37Å
15G92.2Very high86.5Confident35 Ų3567.8 Ų67.836%0.36134%0.342SS..THydrogen-bonded Turntrans5728-178.700000113.7F104 R106G15-F104 PolarHBondContact N-O 3.03Å; G15-R106 WeakPolarHBondContact CA-O 3.38Å; G15-R106 PolarHBondContact N-O 3.01Å
16G90.8Very high88.5Confident54 Ų5459 Ų5956%0.55730%0.301SS*.THydrogen-bonded Turntrans87.1-5.8-174.400000115.2N13 V14N13-G16 VanDerWaalsContact OD1-C 3.23Å; N13-G16 WeakPolarHBondContact OD1-CA 3.46Å; N13-G16 PolarHBondContact OD1-N 3.5Å; V14-G16 PolarHBondContact O-N 3.08Å; V14-G16 VanDerWaalsContact O-N 3.11Å
17T94.3Very high90.1Very high63 Ų6358.3 Ų58.339%0.38729%0.293SS..EExtended strand (participates in β ladder)trans-94.1125.3177.1-55.50000110.2N13 V14 H19 P108N13-T17 CarbonylContact C-O 3.51Å; N13-T17 WeakPolarHBondContact CA-O 3.38Å; V14-T17 PolarHBondContact N-O 3.2Å; V14-T17 WeakPolarHBondContact O-CB 3.36Å; V14-T17 PolarHBondContact O-N 2.79Å; T17-H19 PolarHBondContact O-CD2 2.83Å; T17-H19 VanDerWaalsContact O-CD2 3.3Å; T17-P108 WeakPolarHBondContact OG1-CB 3.31Å
18R94.3Very high91.4Very high169 Ų16956.9 Ų56.964%0.63829%0.288SS*.EExtended strand (participates in β ladder)trans-85.7130.9179-69.5-177.5174.4132.3-5.4111.5I11 N13 E101I11-R18 HydrophobicContact CG2-CB 4.44Å; I11-R18 HydrophobicContact CG2-CG 4.42Å; N13-R18 HydrophobicContact CB-CG 4.46Å; R18-E101 IonicContact CZ-OE1 3.61Å; R18-E101 IonicContact NE-OE1 3.26Å; R18-E101 PolarHBondContact NE-OE1 2.85Å; R18-E101 IonicContact NH2-OE1 3.38Å; R18-E101 IonicContact NH2-OE2 2.71Å
19H93.5Very high91.8Very high28 Ų2853.8 Ų53.813%0.1327%0.274CS..EExtended strand (participates in β ladder)trans-122.6131.1174.2-60-94.9000109.8L12 T17 F111 L115L12-H19 HydrophobicContact CB-CB 4.44Å; L12-H19 PolarHBondContact N-O 3.43Å; L12-H19 PolarHBondContact O-N 3.45Å; T17-H19 PolarHBondContact O-CD2 2.83Å; T17-H19 VanDerWaalsContact O-CD2 3.3Å; H19-F111 HydrophobicContact CB-CD1 4.42Å; H19-F111 HydrophobicContact CB-CE1 3.92Å; H19-F111 AromaticContact CD2-CD1 3.47Å; H19-F111 VanDerWaalsContact CD2-CD1 3.47Å; H19-F111 WeakPolarHBondContact CD2-CD1 3.38Å; H19-F111 AromaticContact CD2-CE1 3.76Å; H19-F111 AromaticContact CE1-CD1 3.95Å; H19-F111 AromaticContact CG-CD1 3.75Å; H19-F111 AromaticContact CG-CE1 3.75Å; H19-F111 AromaticContact NE2-CD1 3.63Å; H19-L115 HydrophobicContact CB-CD2 3.74Å
20E92Very high91.8Very high116 Ų11651.6 Ų51.654%0.54228%0.281SS..EExtended strand (participates in β ladder)trans-106.6137.9178.7-62.7-176.9-168.800111I11 R119I11-E20 HydrophobicContact CG1-CG 4.42Å; E20-R119 PolarHBondContact O-NH2 3.35Å
21T92.1Very high91.6Very high7 Ų754.3 Ų54.34%0.04331%0.31CS..EExtended strand (participates in β ladder)trans-153.8175.3178.1-164.30000111.1R9 V10 L12 L26 L115R9-T21 WeakPolarHBondContact CA-O 3.19Å; V10-T21 PolarHBondContact N-O 3.34Å; V10-T21 PolarHBondContact O-N 2.7Å; L12-T21 HydrophobicContact CD1-CG2 4.11Å; T21-L26 HydrophobicContact CG2-CD1 3.95Å; T21-L26 HydrophobicContact CG2-CD2 3.78Å; T21-L26 HydrophobicContact CG2-CG 3.78Å; T21-L115 HydrophobicContact CG2-CD1 4.16Å
22Y91.1Very high91.6Very high94 Ų9452.8 Ų52.837%0.36930%0.303SS..EExtended strand (participates in β ladder)trans-101147.8176-61.6-80.3000111.1N7 E8 R9 S24 T25 L26N7-Y22 HydrophobicContact CB-CD1 4.15Å; N7-Y22 HydrophobicContact CB-CE1 4.36Å; E8-Y22 WeakPolarHBondContact O-CA 3.31Å; R9-Y22 HydrophobicContact CG-CD1 3.87Å; R9-Y22 HydrophobicContact CG-CE1 3.52Å; Y22-S24 WeakPolarHBondContact CB-OG 3.29Å; Y22-S24 PolarHBondContact O-N 3.05Å; Y22-T25 WeakPolarHBondContact O-CB 3.35Å; Y22-T25 PolarHBondContact O-N 3.06Å; Y22-L26 PolarHBondContact O-N 3.42Å
23R89Confident91.5Very high51 Ų5157.8 Ų57.819%0.19232%0.322CS..Hα-helixtrans-57.9-31.9174.6-159173.2-170.5-113.4-0.7111.9E8 V10 L26 K27 A38 S39 S40E8-R23 HydrophobicContact CB-CB 4.5Å; E8-R23 PolarHBondContact O-N 3.41Å; V10-R23 HydrophobicContact CG2-CB 4.28Å; R23-L26 PolarHBondContact O-N 3.25Å; R23-K27 WeakPolarHBondContact O-CG 3.27Å; R23-K27 PolarHBondContact O-N 2.91Å; R23-A38 HydrophobicContact CG-CB 3.88Å; R23-A38 PolarHBondContact NE-O 2.77Å; R23-A38 PolarHBondContact NH1-O 3.04Å; R23-A38 PolarHBondContact NH2-O 3.49Å; R23-S39 PolarHBondContact NH2-O 3.28Å; R23-S40 PolarHBondContact NH2-O 2.75Å
24S90Very high91.5Very high44 Ų4456.7 Ų56.731%0.30832%0.316SS..Hα-helixtrans-64.3-39.9172.949.20000113N6 Y22 K27N6-S24 VanDerWaalsContact O-CB 3.27Å; N6-S24 WeakPolarHBondContact O-CB 3.49Å; N6-S24 PolarHBondContact O-OG 2.93Å; N6-S24 VanDerWaalsContact O-OG 3.06Å; Y22-S24 WeakPolarHBondContact CB-OG 3.29Å; Y22-S24 PolarHBondContact O-N 3.05Å; S24-K27 PolarHBondContact O-N 3.44Å
25T92.5Very high91.2Very high26 Ų2657.1 Ų57.116%0.1632%0.32CS..Hα-helixtrans-64.8-39.9175.9-52.50000111.9Y22 K27 T28 R119Y22-T25 WeakPolarHBondContact O-CB 3.35Å; Y22-T25 PolarHBondContact O-N 3.06Å; T25-K27 PolarHBondContact O-N 2.91Å; T25-T28 WeakPolarHBondContact O-CG2 3.43Å; T25-T28 PolarHBondContact O-N 3.09Å; T25-T28 PolarHBondContact O-OG1 2.73Å; T25-R119 HydrophobicContact CG2-CG 3.79Å
26L92.2Very high91Very high3 Ų360.6 Ų60.62%0.01633%0.329CS..Hα-helixtrans-70.6-21.7179.4-63.6-175.8000113.3L12 T21 Y22 R23 T28 L34 A35 A38 L115 Y118L12-L26 HydrophobicContact CD1-CD1 4.3Å; L12-L26 HydrophobicContact CD1-CD2 4.35Å; T21-L26 HydrophobicContact CG2-CD1 3.95Å; T21-L26 HydrophobicContact CG2-CD2 3.78Å; T21-L26 HydrophobicContact CG2-CG 3.78Å; Y22-L26 PolarHBondContact O-N 3.42Å; R23-L26 PolarHBondContact O-N 3.25Å; L26-T28 VanDerWaalsContact C-N 3.32Å; L26-L34 HydrophobicContact CD1-CB 4.48Å; L26-L34 HydrophobicContact CD2-CB 3.98Å; L26-L34 HydrophobicContact CD2-CD1 3.88Å; L26-A35 VanDerWaalsContact O-CA 3.29Å; L26-A35 WeakPolarHBondContact O-CA 3.47Å; L26-A35 WeakPolarHBondContact O-CB 3.29Å; L26-A38 HydrophobicContact CB-CB 3.58Å; L26-A38 HydrophobicContact CD1-CB 4.25Å; L26-L115 HydrophobicContact CD2-CD1 4.33Å; L26-Y118 HydrophobicContact CD2-CD1 4.29Å; L26-Y118 HydrophobicContact CD2-CG 4.4Å
27K90.8Very high90.8Very high102 Ų10260 Ų6044%0.44331%0.313SS..THydrogen-bonded Turntrans-81.7-6177.1-71.7176.7-179.2-176.20113.7R23 S24 T25 L29 A38R23-K27 WeakPolarHBondContact O-CG 3.27Å; R23-K27 PolarHBondContact O-N 2.91Å; S24-K27 PolarHBondContact O-N 3.44Å; T25-K27 PolarHBondContact O-N 2.91Å; K27-L29 PolarHBondContact O-N 3.45Å; K27-A38 WeakPolarHBondContact CE-O 3.41Å; K27-A38 HydrophobicContact CG-CB 4.07Å
28T91.2Very high90.3Very high78 Ų7857.1 Ų57.148%0.47930%0.296SS..THydrogen-bonded Turntrans-66.4-26.7-177.757.60000113.1T25 L26 P30 Y118T25-T28 WeakPolarHBondContact O-CG2 3.43Å; T25-T28 PolarHBondContact O-N 3.09Å; T25-T28 PolarHBondContact O-OG1 2.73Å; L26-T28 VanDerWaalsContact C-N 3.32Å; T28-P30 WeakPolarHBondContact O-CD 3.43Å; T28-Y118 PolarHBondContact OG1-O 3.5Å; T28-Y118 VanDerWaalsContact OG1-O 3.06Å
29L90.3Very high89.5Confident28 Ų2852.4 Ų52.415%0.14729%0.289CS..SBendtrans-118.680.8-178.4-63169.8000110.3K27 T32 A35 Y117 Y118K27-L29 PolarHBondContact O-N 3.45Å; L29-T32 HydrophobicContact CB-CG2 3.81Å; L29-T32 WeakPolarHBondContact O-CG2 3.35Å; L29-T32 PolarHBondContact O-OG1 2.7Å; L29-A35 WeakPolarHBondContact O-CB 3.36Å; L29-Y117 HydrophobicContact CD1-CD1 3.26Å; L29-Y117 HydrophobicContact CD1-CE1 3.19Å; L29-Y117 HydrophobicContact CD1-CG 3.98Å; L29-Y117 HydrophobicContact CD2-CE1 3.96Å; L29-Y117 HydrophobicContact CG-CE1 4.19Å; L29-Y118 HydrophobicContact CB-CD1 4.07Å; L29-Y118 HydrophobicContact CB-CE1 3.85Å; L29-Y118 HydrophobicContact CD1-CD1 3.76Å; L29-Y118 HydrophobicContact CD1-CD2 4.15Å; L29-Y118 HydrophobicContact CD1-CE1 3.95Å; L29-Y118 HydrophobicContact CD1-CE2 4.27Å; L29-Y118 HydrophobicContact CD1-CG 3.87Å; L29-Y118 HydrophobicContact CG-CD1 4.15Å; L29-Y118 HydrophobicContact CG-CE1 4.36Å
30P86.8Confident88.3Confident112 Ų11254 Ų5473%0.72730%0.303SS*.THydrogen-bonded Turntrans-62.3146.2-179.327.6-34.8000111.4T28 T32T28-P30 WeakPolarHBondContact O-CD 3.43Å; P30-T32 VanDerWaalsContact C-N 3.33Å
31G85.1Confident86.5Confident67 Ų6756.4 Ų56.469%0.69131%0.314SS*.THydrogen-bonded Turntrans91.6-15.9-178.300000114.7
32T92.8Very high84.6Confident9 Ų959.5 Ų59.56%0.05534%0.335CS..SBendtrans-76.9160.9174.364.10000112.5L29 P30 L34 A35 L36 Y118 I143L29-T32 HydrophobicContact CB-CG2 3.81Å; L29-T32 WeakPolarHBondContact O-CG2 3.35Å; L29-T32 PolarHBondContact O-OG1 2.7Å; P30-T32 VanDerWaalsContact C-N 3.33Å; T32-L34 VanDerWaalsContact C-N 3.33Å; T32-L34 PolarHBondContact O-N 3.06Å; T32-A35 PolarHBondContact O-N 3.28Å; T32-A35 VanDerWaalsContact OG1-CB 3.31Å; T32-A35 WeakPolarHBondContact OG1-CB 3.05Å; T32-A35 PolarHBondContact OG1-N 3.08Å; T32-L36 WeakPolarHBondContact O-CG 3.48Å; T32-L36 PolarHBondContact O-N 2.83Å; T32-Y118 WeakPolarHBondContact CB-OH 3.48Å; T32-Y118 WeakPolarHBondContact OG1-CE1 3.39Å; T32-Y118 PolarHBondContact OG1-OH 3.46Å; T32-I143 HydrophobicContact CG2-CG1 4.07Å
33R91.8Very high82.3Confident105 Ų10560.5 Ų60.540%0.39635%0.352SS..Hα-helixtrans-60.2-39.7179.6-172.1-176.8-63.7-88.6-3.5112.7L36 L37 F140 W141R33-L36 PolarHBondContact O-N 3.24Å; R33-L37 PolarHBondContact O-N 3.45Å; R33-F140 PolarHBondContact NE-O 3.26Å; R33-F140 PolarHBondContact NH2-O 3.18Å; R33-W141 WeakPolarHBondContact CB-O 3.4Å; R33-W141 PolarHBondContact N-O 3.17Å
34L92.8Very high79.7Confident0 Ų061.1 Ų61.10%038%0.375CS..Hα-helixtrans-73.9-32.9-179.6-62.3179.9000112.4L12 L26 T32 L36 L37 A38 F104 F111 Y118 W141L12-L34 HydrophobicContact CD1-CD1 4.25Å; L12-L34 HydrophobicContact CD1-CD2 4.17Å; L26-L34 HydrophobicContact CD1-CB 4.48Å; L26-L34 HydrophobicContact CD2-CB 3.98Å; L26-L34 HydrophobicContact CD2-CD1 3.88Å; T32-L34 VanDerWaalsContact C-N 3.33Å; T32-L34 PolarHBondContact O-N 3.06Å; L34-L36 VanDerWaalsContact C-N 3.31Å; L34-L36 PolarHBondContact O-N 2.92Å; L34-L37 HydrophobicContact CD2-CD1 4.13Å; L34-L37 PolarHBondContact O-N 2.79Å; L34-A38 WeakPolarHBondContact O-CB 3.46Å; L34-A38 PolarHBondContact O-N 3Å; L34-F104 HydrophobicContact CD2-CZ 4.32Å; L34-F111 HydrophobicContact CD1-CE2 3.95Å; L34-F111 HydrophobicContact CD1-CZ 4.07Å; L34-Y118 HydrophobicContact CB-CE1 4.08Å; L34-Y118 HydrophobicContact CD1-CD2 4.27Å; L34-Y118 HydrophobicContact CD1-CE2 3.7Å; L34-Y118 HydrophobicContact CG-CE2 4.48Å; L34-W141 HydrophobicContact CD1-CE3 4.47Å; L34-W141 HydrophobicContact CD2-CE3 4.07Å; L34-W141 HydrophobicContact CD2-CZ3 3.67Å; L34-W141 HydrophobicContact CG-CE3 4.04Å; L34-W141 HydrophobicContact CG-CZ3 4.16Å
35A90.3Very high77Confident9 Ų966.8 Ų66.87%0.07440%0.402CS..Hα-helixtrans-63.7-38.617400000111.8L26 L29 T32 A38 S39L26-A35 VanDerWaalsContact O-CA 3.29Å; L26-A35 WeakPolarHBondContact O-CA 3.47Å; L26-A35 WeakPolarHBondContact O-CB 3.29Å; L29-A35 WeakPolarHBondContact O-CB 3.36Å; T32-A35 PolarHBondContact O-N 3.28Å; T32-A35 VanDerWaalsContact OG1-CB 3.31Å; T32-A35 WeakPolarHBondContact OG1-CB 3.05Å; T32-A35 PolarHBondContact OG1-N 3.08Å; A35-A38 CarbonylContact O-C 3.58Å; A35-A38 PolarHBondContact O-N 3.01Å; A35-S39 WeakPolarHBondContact O-CB 3.19Å; A35-S39 PolarHBondContact O-N 3.26Å
36L88.3Confident73.9Confident107 Ų10771.7 Ų71.756%0.5644%0.436SS*.Hα-helixtrans-62.5-43.9174.5-66.6173000111.6T32 R33 L34 A38 S39 S40T32-L36 WeakPolarHBondContact O-CG 3.48Å; T32-L36 PolarHBondContact O-N 2.83Å; R33-L36 PolarHBondContact O-N 3.24Å; L34-L36 VanDerWaalsContact C-N 3.31Å; L34-L36 PolarHBondContact O-N 2.92Å; L36-A38 VanDerWaalsContact C-N 3.3Å; L36-A38 PolarHBondContact O-N 3.49Å; L36-S39 PolarHBondContact O-N 3.35Å; L36-S39 PolarHBondContact O-OG 2.75Å; L36-S40 PolarHBondContact O-N 2.98Å
37L86Confident71Confident41 Ų4178.9 Ų78.922%0.21547%0.473CS..Hα-helixtrans-64.3-34.4174.8-70.5167.9000113R33 L34 S39 S40 F102 F104R33-L37 PolarHBondContact O-N 3.45Å; L34-L37 HydrophobicContact CD2-CD1 4.13Å; L34-L37 PolarHBondContact O-N 2.79Å; L37-S39 PolarHBondContact O-N 3.19Å; L37-S40 PolarHBondContact O-OG 3.48Å; L37-S40 VanDerWaalsContact O-OG 3.08Å; L37-F102 HydrophobicContact CD2-CD1 4.42Å; L37-F102 HydrophobicContact CD2-CE1 4.2Å; L37-F104 HydrophobicContact CD1-CE1 4.24Å; L37-F104 HydrophobicContact CD1-CZ 3.57Å
38A83.9Confident68.3Low3 Ų380 Ų803%0.02549%0.488CS..THydrogen-bonded Turntrans-77.9-4.7174.600000113.3R23 L26 K27 L34 A35 L36R23-A38 HydrophobicContact CG-CB 3.88Å; R23-A38 PolarHBondContact NE-O 2.77Å; R23-A38 PolarHBondContact NH1-O 3.04Å; R23-A38 PolarHBondContact NH2-O 3.49Å; L26-A38 HydrophobicContact CB-CB 3.58Å; L26-A38 HydrophobicContact CD1-CB 4.25Å; K27-A38 WeakPolarHBondContact CE-O 3.41Å; K27-A38 HydrophobicContact CG-CB 4.07Å; L34-A38 WeakPolarHBondContact O-CB 3.46Å; L34-A38 PolarHBondContact O-N 3Å; A35-A38 CarbonylContact O-C 3.58Å; A35-A38 PolarHBondContact O-N 3.01Å; L36-A38 VanDerWaalsContact C-N 3.3Å; L36-A38 PolarHBondContact O-N 3.49Å
39S76.1Confident65.6Low70 Ų7082.5 Ų82.549%0.4950%0.504SS..THydrogen-bonded Turntrans-101.8-25.7177.773.10000113.2R23 A35 L36 L37 E41R23-S39 PolarHBondContact NH2-O 3.28Å; A35-S39 WeakPolarHBondContact O-CB 3.19Å; A35-S39 PolarHBondContact O-N 3.26Å; L36-S39 PolarHBondContact O-N 3.35Å; L36-S39 PolarHBondContact O-OG 2.75Å; L37-S39 PolarHBondContact O-N 3.19Å; S39-E41 PolarHBondContact O-N 2.84Å
40S68.5Low62.8Low62 Ų6286.4 Ų86.443%0.43454%0.541SS..SBendtrans-63.6118.9177.653.40000111R23 L36 L37R23-S40 PolarHBondContact NH2-O 2.75Å; L36-S40 PolarHBondContact O-N 2.98Å; L37-S40 PolarHBondContact O-OG 3.48Å; L37-S40 VanDerWaalsContact O-OG 3.08Å
41E54.9Low60.3Low166 Ų16684.3 Ų84.378%0.77654%0.539SS*.PPolyproline II helixtrans-64.3153175.1-69.2-158.8145.200110.9S39S39-E41 PolarHBondContact O-N 2.84Å
42P51.6Low58Low73 Ų7388.2 Ų88.247%0.47454%0.544SS..PPolyproline II helixtrans-46.3134163.6-26.335.4000111.2G44 R100P42-G44 PolarHBondContact O-N 3.25Å; P42-R100 VanDerWaalsContact CA-NH2 3.25Å
43P43.2Very low55.2Low114 Ų11496.7 Ų96.774%0.7458%0.58SS**  trans-60.1108.8159.124.3-28000106.6
44G35.3Very low52.6Low64 Ų6499.8 Ų99.866%0.6660%0.604SS**  trans-64133176.800000110.1P42 C46P42-G44 PolarHBondContact O-N 3.25Å; G44-C46 PolarHBondContact O-N 3.33Å
45D32.3Very low50Low164 Ų164108.6 Ų108.688%0.87765%0.645SS**  trans-56.9100.1171.6-69.7-44.4000109.7L47D45-L47 VanDerWaalsContact C-N 3.29Å; D45-L47 PolarHBondContact O-N 2.93Å
46C28.3Very low47.6Very low129 Ų129113.7 Ų113.787%0.87268%0.677SS**  trans-7782169.8-92.30000109.8G44G44-C46 PolarHBondContact O-N 3.33Å
47L30.6Very low45.3Very low153 Ų153114 Ų11480%0.80169%0.688SS**  trans-145.198.2157.7-109.5115.2000108D45D45-L47 VanDerWaalsContact C-N 3.29Å; D45-L47 PolarHBondContact O-N 2.93Å
48T33.6Very low43.3Very low125 Ų125117.9 Ų117.977%0.76772%0.716SS**  165.7133.1123.236.60000112.7
49T34.3Very low41.7Very low131 Ų131123 Ų12380%0.80475%0.749SS**  trans67.3104.7146.553.60000119.8
50A31.6Very low40.4Very low111 Ų111125.8 Ų125.892%0.91777%0.765SS**  trans-49.6140.1150.800000112
51G34.7Very low39.3Very low67 Ų67130.4 Ų130.469%0.69178%0.784SS**  trans166.599.6169.600000113.7
52D36.7Very low39.3Very low150 Ų150128.2 Ų128.280%0.80279%0.787SS**  trans79.1109.3152.1-64.3-34.4000122.2
53K35Very low39.6Very low187 Ų187130.1 Ų130.181%0.81380%0.799SS**  26.3128.7123.2-64.1-179.1177-1720116.2
54L37.4Very low40.3Very low170 Ų170130.6 Ų130.689%0.8980%0.803SS**  -173.7160.362.9-163.468.4000111.2
55Q38.4Very low41Very low185 Ų185133.8 Ų133.886%0.86481%0.812SS**  trans-72.6178.3-166.4-99.5-167.8-8.100118.6
56P39.5Very low41.4Very low115 Ų115136.7 Ų136.775%0.74781%0.81SS**  trans-113.6-178.1-142.345.1-36.8000115.5
57S38.9Very low42.1Very low113 Ų113134.5 Ų134.579%0.7980%0.802SS**  trans-155.8136.4158.653.80000112.9
58P44.3Very low42.8Very low124 Ų124132.9 Ų132.981%0.80580%0.801SS**  trans-106.2-164.1-173.946.5-37.5000112.6
59P51.5Low43.2Very low111 Ų111132 Ų13272%0.72180%0.797SS**  -107.2-164.8-115.531.5-7.7000113.3
60P48.5Very low43.2Very low127 Ų127133.8 Ų133.883%0.82580%0.801SS**  -149.7169.2122.333-12.8000118.1
61L45.1Very low43.4Very low160 Ų160133.4 Ų133.484%0.83879%0.791SS**  trans-73.3157.6-170.4-68.591.4000116.9
62S54.5Low43.8Very low119 Ų119136.1 Ų136.183%0.83280%0.797SS**  -179.8139120.645.30000113.1
63P58Low43.7Very low113 Ų113131.7 Ų131.773%0.73479%0.786SS**  trans-125.5169.5167.539.6-26.8000113.6
64P57.8Low43.7Very low124 Ų124129.3 Ų129.381%0.80579%0.79SS**  trans-144.1-174.7138.444-28000112.8
65P51.1Low43.4Very low132 Ų132124.6 Ų124.686%0.85778%0.782SS**  -114.8174.5-97.426.2-3.1000115.4
66R39.5Very low43Very low224 Ų224118.8 Ų118.885%0.84577%0.772SS**PPolyproline II helixtrans-85.2143.6-164.6-141.7176.9-154.3-143.52.7114.3
67A43.6Very low42.5Very low84 Ų84118.9 Ų118.969%0.69478%0.775SS**PPolyproline II helixtrans-101.5154.7155.200000109.5
68P45.9Very low42Very low119 Ų119123.8 Ų123.877%0.77378%0.782SS**PPolyproline II helixtrans-76.5149.5-158.631.5-33.8000113L70P68-L70 PolarHBondContact O-N 3.3Å
69P40.3Very low41.4Very low106 Ų106126.8 Ų126.869%0.68879%0.785SS**PPolyproline II helixtrans-80.2123.3179.531.2-29.5000111
70L36.2Very low40.2Very low168 Ų168125.5 Ų125.588%0.8879%0.792SS**PPolyproline II helixtrans-67.4128.5156.2-85.8151.6000108.2P68P68-L70 PolarHBondContact O-N 3.3Å
71S35.8Very low39.2Very low104 Ų104122.8 Ų122.873%0.72779%0.787SS**  trans-44.3125.1179.741.70000113.4G73S71-G73 PolarHBondContact O-N 2.87Å
72P41.5Very low38.5Very low123 Ų123120.3 Ų120.380%0.79979%0.79SS**  trans-74.3124.3168.229.2-27.5000108.7
73G34.6Very low37.6Very low57 Ų57117.6 Ų117.659%0.58878%0.78SS**  trans-56.2158.9160.900000110S71 G75S71-G73 PolarHBondContact O-N 2.87Å; G73-G75 PolarHBondContact O-N 3.03Å
74P36.5Very low36.5Very low138 Ų138119.3 Ų119.390%0.89678%0.783SS**  trans-62102.4-170.227.2-32.4000109.3G76P74-G76 PolarHBondContact O-N 3.44Å
75G29.9Very low35.6Very low70 Ų70117.2 Ų117.272%0.72277%0.771SS**  trans-62.4104167.300000107.1G73 C77G73-G75 PolarHBondContact O-N 3.03Å; G75-C77 PolarHBondContact O-N 3.31Å; G75-C77 VanDerWaalsContact O-N 3.08Å
76G30.3Very low35.1Very low63 Ų63114.4 Ų114.465%0.64976%0.755SS**  trans-61110168.200000108.1P74 F78P74-G76 PolarHBondContact O-N 3.44Å; G76-F78 PolarHBondContact O-N 3.35Å
77C28.6Very low35.1Very low118 Ų118108 Ų10880%0.79774%0.744SS**  trans-56.2108.5160.9-69.20000107.5G75 E79G75-C77 PolarHBondContact O-N 3.31Å; G75-C77 VanDerWaalsContact O-N 3.08Å; C77-E79 PolarHBondContact O-N 3.37Å
78F29.4Very low34.8Very low215 Ų215115.2 Ų115.294%0.94375%0.753SS**  trans-69.184.3164.7-94.8-89.5000108G76G76-F78 PolarHBondContact O-N 3.35Å
79E30.3Very low34.2Very low188 Ų188113.1 Ų113.188%0.87975%0.754SS**  trans-78.8123.6159.6-82.1-165.1114.400109.7C77C77-E79 PolarHBondContact O-N 3.37Å
80G27Very low33.8Very low83 Ų83110.9 Ų110.986%0.85675%0.749SS**  80.370.4129.100000118
81G27.2Very low33.4Very low71 Ų71114.5 Ų114.573%0.73275%0.752SS**  trans-137.775.915500000109.8G83G81-G83 VanDerWaalsContact C-N 3.26Å; G81-G83 PolarHBondContact O-N 3.33Å
82A31.7Very low33.2Very low107 Ų107114 Ų11488%0.88475%0.754SS**  trans-6686.7173.200000109.4N84A82-N84 PolarHBondContact O-N 3.35Å
83G34.7Very low32.8Very low62 Ų62112.9 Ų112.964%0.63975%0.749SS**  trans-61.2131.4160.500000108.4G81 C85G81-G83 VanDerWaalsContact C-N 3.26Å; G81-G83 PolarHBondContact O-N 3.33Å; G83-C85 PolarHBondContact O-N 3.48Å
84N35.6Very low32.8Very low149 Ų149117.6 Ų117.680%0.79776%0.76SS**  trans-47.291.9-178.3-99.9-7.8000112.4A82 S86A82-N84 PolarHBondContact O-N 3.35Å; N84-S86 PolarHBondContact O-N 2.95Å
85C38.4Very low32.7Very low81 Ų81118.5 Ų118.555%0.54775%0.752SS.*  trans-75.986.3158-84.30000107.2G83 S87G83-C85 PolarHBondContact O-N 3.48Å; C85-S87 VanDerWaalsContact C-N 3.26Å; C85-S87 PolarHBondContact O-N 3.21Å
86S40.3Very low32.9Very low73 Ų73121.8 Ų121.851%0.5176%0.761SS.*  trans-7290.1162.2-70.10000107.6N84 R88N84-S86 PolarHBondContact O-N 2.95Å; S86-R88 PolarHBondContact O-N 2.99Å
87S39.4Very low33.5Very low90 Ų90122.4 Ų122.463%0.62977%0.768SS**  trans-62.890.8155.8-710000106.3C85 G89C85-S87 VanDerWaalsContact C-N 3.26Å; C85-S87 PolarHBondContact O-N 3.21Å; S87-G89 PolarHBondContact O-N 3.22Å
88R37.4Very low34.1Very low234 Ų234120.3 Ų120.388%0.88377%0.765SS**  trans-71.388.7170.8-156.2176.4-175.3-1720.9105.7S86 G90S86-R88 PolarHBondContact O-N 2.99Å; R88-G90 PolarHBondContact O-N 2.95Å
89G33.6Very low35.5Very low76 Ų76111.3 Ų111.378%0.78473%0.734SS**  trans-62.474.5159.900000107.9S87 R91S87-G89 PolarHBondContact O-N 3.22Å; G89-R91 PolarHBondContact O-N 2.83Å
90G30.6Very low37.5Very low58 Ų58107.5 Ų107.560%0.59871%0.711SS**  trans-57.4128.3162.600000106.3R88 A92R88-G90 PolarHBondContact O-N 2.95Å; G90-A92 PolarHBondContact O-N 3.26Å; G90-A92 VanDerWaalsContact O-N 3.09Å
91R28.6Very low40.3Very low245 Ų245107.1 Ų107.193%0.92569%0.687SS**  trans-35.1122173.5-78.9178.5-174.7171.11.1108.7G89 S93G89-R91 PolarHBondContact O-N 2.83Å; R91-S93 PolarHBondContact O-N 3.07Å
92A31.6Very low43.4Very low94 Ų94105.2 Ų105.278%0.77766%0.659SS**  trans-53.193.316500000107.5G90 D94G90-A92 PolarHBondContact O-N 3.26Å; G90-A92 VanDerWaalsContact O-N 3.09Å; A92-D94 PolarHBondContact O-N 3.1Å
93S33.4Very low46.3Very low98 Ų98104.1 Ų104.169%0.68563%0.634SS**  trans-71.6116.7152.349.60000104.6R91 H95R91-S93 PolarHBondContact O-N 3.07Å; S93-H95 VanDerWaalsContact C-N 3.26Å; S93-H95 PolarHBondContact O-N 2.84Å
94D33.4Very low49.1Very low156 Ų156101.8 Ų101.883%0.83461%0.607SS**SBendtrans-47.881.8179.7-70.2-50.1000112.9A92A92-D94 PolarHBondContact O-N 3.1Å
95H34.4Very low51.9Low157 Ų157101.2 Ų101.273%0.72760%0.604SS**  trans-121.9114.9164.2-89.95.8000108.2S93 G97 G98S93-H95 VanDerWaalsContact C-N 3.26Å; S93-H95 PolarHBondContact O-N 2.84Å; H95-G97 VanDerWaalsContact C-N 3.3Å; H95-G97 PolarHBondContact O-N 3.01Å; H95-G98 PolarHBondContact O-N 2.75Å
96P34.4Very low54.6Low140 Ų140100.5 Ų100.591%0.90959%0.589SS**THydrogen-bonded Turntrans-70.191.9179.829.3-30.8000107.6
97G44.3Very low57.2Low76 Ų76100.2 Ų100.278%0.78458%0.58SS**THydrogen-bonded Turntrans152.90.7-176.800000116.7H95 G99H95-G97 VanDerWaalsContact C-N 3.3Å; H95-G97 PolarHBondContact O-N 3.01Å; G97-G99 PolarHBondContact O-N 3.36Å
98G40.7Very low59.8Low73 Ų7398 Ų9875%0.75356%0.563SS**  trans-70.786.5-178.200000114H95H95-G98 PolarHBondContact O-N 2.75Å
99G59Low62.5Low27 Ų2788.4 Ų88.428%0.27854%0.537SS..PPolyproline II helixtrans-61.5149.1171.400000112.3G97 E101G97-G99 PolarHBondContact O-N 3.36Å; G99-E101 PolarHBondContact O-N 2.93Å
100R72.5Confident65.4Low107 Ų10784.8 Ų84.840%0.40450%0.5SS..PPolyproline II helixtrans-62131.1178.8-68.1179.3-176.3174.80.5111.1I11 P42 F102I11-R100 PolarHBondContact N-O 2.95Å; P42-R100 VanDerWaalsContact CA-NH2 3.25Å; R100-F102 HydrophobicContact CB-CE2 4.11Å; R100-F102 HydrophobicContact CB-CZ 4.48Å
101E86.2Confident68.5Low75 Ų7582 Ų8235%0.3547%0.472SS..EExtended strand (participates in β ladder)trans-99.7125.7172.4-173.3173.5-168.200110.4I11 N13 R18 G99I11-E101 HydrophobicContact CB-CB 4.11Å; I11-E101 HydrophobicContact CB-CG 4.16Å; I11-E101 HydrophobicContact CG2-CB 4.31Å; I11-E101 HydrophobicContact CG2-CG 3.84Å; I11-E101 CarbonylContact O-C 3.45Å; I11-E101 VanDerWaalsContact O-CA 3.27Å; I11-E101 WeakPolarHBondContact O-CA 3.37Å; N13-E101 HydrophobicContact CB-CG 4.16Å; N13-E101 WeakPolarHBondContact CB-OE1 3.34Å; N13-E101 PolarHBondContact ND2-OE1 2.8Å; R18-E101 IonicContact CZ-OE1 3.61Å; R18-E101 IonicContact NE-OE1 3.26Å; R18-E101 PolarHBondContact NE-OE1 2.85Å; R18-E101 IonicContact NH2-OE1 3.38Å; R18-E101 IonicContact NH2-OE2 2.71Å; G99-E101 PolarHBondContact O-N 2.93Å
102F90.4Very high71.7Confident31 Ų3172.5 Ų72.514%0.13645%0.445CS..EExtended strand (participates in β ladder)trans-108.5134.7173.6-63-88.6000110.2V10 I11 L12 N13 L37 R100 F104V10-F102 HydrophobicContact CG1-CD2 3.7Å; V10-F102 HydrophobicContact CG1-CE2 3.69Å; I11-F102 PolarHBondContact O-N 2.74Å; L12-F102 CarbonylContact C-O 3.52Å; L12-F102 HydrophobicContact CD2-CB 3.96Å; L12-F102 HydrophobicContact CD2-CD2 3.92Å; L12-F102 HydrophobicContact CD2-CG 4.3Å; N13-F102 PolarHBondContact N-O 2.79Å; L37-F102 HydrophobicContact CD2-CD1 4.42Å; L37-F102 HydrophobicContact CD2-CE1 4.2Å; R100-F102 HydrophobicContact CB-CE2 4.11Å; R100-F102 HydrophobicContact CB-CZ 4.48Å; F102-F104 HydrophobicContact CB-CE2 3.85Å; F102-F104 HydrophobicContact CB-CZ 4.34Å
103F92.7Very high74.7Confident85 Ų8571.8 Ų71.837%0.37342%0.423SS..EExtended strand (participates in β ladder)trans-107.2135.4179.9178.8-101.1000112.5N13 D105N13-F103 HydrophobicContact CB-CD2 4.1Å; N13-F103 CarbonylContact O-C 3.51Å; N13-F103 VanDerWaalsContact O-CA 3.29Å; N13-F103 WeakPolarHBondContact O-CA 3.45Å; N13-F103 WeakPolarHBondContact O-CD2 2.94Å; F103-D105 HydrophobicContact CE1-CB 4.01Å; F103-D105 HydrophobicContact CZ-CB 4.25Å
104F94.2Very high77.7Confident13 Ų1367.1 Ų67.16%0.05739%0.39CS..EExtended strand (participates in β ladder)trans-132.3122.2174.5-57.8-88.3000110.3L12 N13 V14 G15 L34 L37 F102 R106 F140 W141L12-F104 HydrophobicContact CD2-CE2 4.21Å; N13-F104 PolarHBondContact O-N 2.96Å; V14-F104 CarbonylContact C-O 3.53Å; V14-F104 VanDerWaalsContact CA-O 3.31Å; V14-F104 WeakPolarHBondContact CA-O 3.44Å; V14-F104 HydrophobicContact CG1-CB 4.38Å; V14-F104 HydrophobicContact CG2-CB 4.22Å; V14-F104 HydrophobicContact CG2-CD2 4.05Å; G15-F104 PolarHBondContact N-O 3.03Å; L34-F104 HydrophobicContact CD2-CZ 4.32Å; L37-F104 HydrophobicContact CD1-CE1 4.24Å; L37-F104 HydrophobicContact CD1-CZ 3.57Å; F102-F104 HydrophobicContact CB-CE2 3.85Å; F102-F104 HydrophobicContact CB-CZ 4.34Å; F104-R106 VanDerWaalsContact C-N 3.25Å; F104-R106 HydrophobicContact CB-CB 4.48Å; F104-R106 HydrophobicContact CB-CG 4.14Å; F104-R106 PolarHBondContact O-N 3.06Å; F104-F140 HydrophobicContact CD1-CE1 4.25Å; F104-F140 HydrophobicContact CD1-CZ 4.15Å; F104-W141 HydrophobicContact CB-CH2 4.04Å; F104-W141 AromaticContact CD1-CH2 3.8Å; F104-W141 HydrophobicContact CD1-CH2 3.8Å; F104-W141 HydrophobicContact CD1-CZ3 4.04Å; F104-W141 AromaticContact CD2-CH2 3.92Å; F104-W141 HydrophobicContact CD2-CH2 3.92Å; F104-W141 HydrophobicContact CD2-CZ3 4.4Å; F104-W141 HydrophobicContact CE1-CH2 4.22Å; F104-W141 AromaticContact CE1-CZ3 4Å; F104-W141 HydrophobicContact CE1-CZ3 4Å; F104-W141 HydrophobicContact CE2-CH2 4.33Å; F104-W141 HydrophobicContact CE2-CZ3 4.37Å; F104-W141 AromaticContact CG-CH2 3.64Å; F104-W141 HydrophobicContact CG-CH2 3.64Å; F104-W141 HydrophobicContact CG-CZ3 4.24Å; F104-W141 HydrophobicContact CZ-CH2 4.46Å; F104-W141 HydrophobicContact CZ-CZ3 4.16Å
105D94.5Very high80.7Confident137 Ų13759.8 Ų59.873%0.73335%0.351SS*.  trans-82.969.8175.4-166.122.9000110.7F103F103-D105 HydrophobicContact CE1-CB 4.01Å; F103-D105 HydrophobicContact CZ-CB 4.25Å
106R95.2Very high83.6Confident65 Ų6555.2 Ų55.225%0.24533%0.332CS..SBendtrans-137.6173.6-171.4-60.5-62.9-62.6-1260.9111.3V14 G15 F104 P108 E136 E137 F140 W141V14-R106 HydrophobicContact CG1-CB 3.91Å; G15-R106 WeakPolarHBondContact CA-O 3.38Å; G15-R106 PolarHBondContact N-O 3.01Å; F104-R106 VanDerWaalsContact C-N 3.25Å; F104-R106 HydrophobicContact CB-CB 4.48Å; F104-R106 HydrophobicContact CB-CG 4.14Å; F104-R106 PolarHBondContact O-N 3.06Å; R106-P108 WeakPolarHBondContact O-CD 3.31Å; R106-E136 PolarHBondContact NH2-O 3.05Å; R106-E137 IonicContact CZ-OE1 3.88Å; R106-E137 IonicContact NE-OE1 3.9Å; R106-E137 PolarHBondContact NE-OE1 2.78Å; R106-E137 IonicContact NE-OE2 3.22Å; R106-E137 IonicContact NH2-OE1 3.03Å; R106-E137 PolarHBondContact NH2-OE1 2.78Å; R106-E137 IonicContact NH2-OE2 3.79Å; R106-F140 HydrophobicContact CG-CD1 4.25Å; R106-F140 HydrophobicContact CG-CE1 3.77Å; R106-F140 HydrophobicContact CG-CZ 4.11Å; R106-F140 VanDerWaalsContact CZ-CB 3.47Å; R106-F140 VanDerWaalsContact NH1-CB 3.25Å; R106-F140 VanDerWaalsContact NH2-CB 3.27Å; R106-W141 HydrophobicContact CB-CZ2 4.31Å; R106-W141 HydrophobicContact CG-CZ2 4.42Å
107H94.3Very high86.5Confident67 Ų6749.5 Ų49.531%0.3129%0.292SS..  trans-69.3111.3-174.1-167.2-60.9000112.3G109 V110 F111 E137H107-G109 PolarHBondContact ND1-N 3.42Å; H107-G109 VanDerWaalsContact ND1-N 3.12Å; H107-G109 PolarHBondContact O-N 3.05Å; H107-V110 HydrophobicContact CB-CB 4.36Å; H107-V110 HydrophobicContact CB-CG2 4.32Å; H107-V110 PolarHBondContact ND1-N 2.89Å; H107-F111 PolarHBondContact O-N 2.92Å; H107-E137 HydrophobicContact CB-CG 4.42Å
108P94.4Very high89Confident44 Ų4446.1 Ų46.129%0.28626%0.256SS..Hα-helixtrans-64.8-37.4-175.123-31.8000113.2V14 T17 R106 F111 A112V14-P108 WeakPolarHBondContact O-CB 3.27Å; T17-P108 WeakPolarHBondContact OG1-CB 3.31Å; R106-P108 WeakPolarHBondContact O-CD 3.31Å; P108-F111 PolarHBondContact O-N 3.18Å; P108-A112 PolarHBondContact O-N 2.86Å
109G93.7Very high91.6Very high33 Ų3349.2 Ų49.234%0.3425%0.245SC..Hα-helixtrans-60.8-51.7179.500000113.2H107 F111 A112 Y113H107-G109 PolarHBondContact ND1-N 3.42Å; H107-G109 VanDerWaalsContact ND1-N 3.12Å; H107-G109 PolarHBondContact O-N 3.05Å; G109-F111 VanDerWaalsContact C-N 3.3Å; G109-F111 PolarHBondContact O-N 3.08Å; G109-A112 WeakPolarHBondContact O-CB 3.48Å; G109-A112 PolarHBondContact O-N 2.98Å; G109-Y113 WeakPolarHBondContact O-CD2 3.41Å
110V95.1Very high93.3Very high0 Ų051.3 Ų51.30%025%0.253CS..Hα-helixtrans-60.9-39.4175.4177.30000111.7H107 A112 Y113 V114 P126 V129 F134 E137H107-V110 HydrophobicContact CB-CB 4.36Å; H107-V110 HydrophobicContact CB-CG2 4.32Å; H107-V110 PolarHBondContact ND1-N 2.89Å; V110-A112 PolarHBondContact O-N 2.85Å; V110-Y113 WeakPolarHBondContact O-CB 3.47Å; V110-Y113 PolarHBondContact O-N 3.39Å; V110-V114 HydrophobicContact CG1-CG2 4.36Å; V110-V114 PolarHBondContact O-N 2.63Å; V110-V114 VanDerWaalsContact O-N 3.13Å; V110-P126 HydrophobicContact CG2-CG 4.43Å; V110-V129 HydrophobicContact CG2-CB 4.46Å; V110-V129 HydrophobicContact CG2-CG1 3.83Å; V110-V129 HydrophobicContact CG2-CG2 3.95Å; V110-F134 HydrophobicContact CG1-CD2 3.61Å; V110-F134 HydrophobicContact CG1-CE2 3.83Å; V110-F134 HydrophobicContact CG2-CD2 4.41Å; V110-E137 HydrophobicContact CB-CB 4.39Å; V110-E137 HydrophobicContact CB-CG 4.06Å; V110-E137 HydrophobicContact CG1-CB 3.53Å; V110-E137 HydrophobicContact CG1-CG 3.76Å; V110-E137 HydrophobicContact CG2-CG 4.3Å
111F96.5Very high94.3Very high0 Ų048.5 Ų48.50%026%0.256CS..Hα-helixtrans-60.1-30.2179.7-173.7-102.8000113.5L12 V14 H19 L34 H107 P108 G109 Y113 V114 L115 W141L12-F111 HydrophobicContact CB-CE1 4.19Å; L12-F111 HydrophobicContact CB-CZ 4.16Å; L12-F111 HydrophobicContact CD1-CE1 4.27Å; L12-F111 HydrophobicContact CD1-CZ 3.67Å; V14-F111 HydrophobicContact CB-CB 4.19Å; V14-F111 HydrophobicContact CB-CD1 3.99Å; V14-F111 HydrophobicContact CB-CG 4Å; V14-F111 HydrophobicContact CG1-CB 3.83Å; V14-F111 HydrophobicContact CG1-CD1 4.49Å; V14-F111 HydrophobicContact CG1-CD2 4.43Å; V14-F111 HydrophobicContact CG1-CG 3.99Å; V14-F111 HydrophobicContact CG2-CB 4.32Å; V14-F111 HydrophobicContact CG2-CD1 3.46Å; V14-F111 VanDerWaalsContact CG2-CD1 3.46Å; V14-F111 HydrophobicContact CG2-CD2 3.88Å; V14-F111 HydrophobicContact CG2-CE1 3.61Å; V14-F111 HydrophobicContact CG2-CE2 4Å; V14-F111 HydrophobicContact CG2-CG 3.59Å; V14-F111 HydrophobicContact CG2-CZ 3.88Å; H19-F111 HydrophobicContact CB-CD1 4.42Å; H19-F111 HydrophobicContact CB-CE1 3.92Å; H19-F111 AromaticContact CD2-CD1 3.47Å; H19-F111 VanDerWaalsContact CD2-CD1 3.47Å; H19-F111 WeakPolarHBondContact CD2-CD1 3.38Å; H19-F111 AromaticContact CD2-CE1 3.76Å; H19-F111 AromaticContact CE1-CD1 3.95Å; H19-F111 AromaticContact CG-CD1 3.75Å; H19-F111 AromaticContact CG-CE1 3.75Å; H19-F111 AromaticContact NE2-CD1 3.63Å; L34-F111 HydrophobicContact CD1-CE2 3.95Å; L34-F111 HydrophobicContact CD1-CZ 4.07Å; H107-F111 PolarHBondContact O-N 2.92Å; P108-F111 PolarHBondContact O-N 3.18Å; G109-F111 VanDerWaalsContact C-N 3.3Å; G109-F111 PolarHBondContact O-N 3.08Å; F111-Y113 VanDerWaalsContact C-N 3.26Å; F111-Y113 PolarHBondContact O-N 3.35Å; F111-V114 HydrophobicContact CD2-CB 4.28Å; F111-V114 HydrophobicContact CD2-CG1 4.25Å; F111-V114 HydrophobicContact CE2-CG1 4.29Å; F111-V114 PolarHBondContact O-N 2.74Å; F111-L115 HydrophobicContact CE1-CB 4.2Å; F111-L115 HydrophobicContact CE1-CD2 4.32Å; F111-L115 HydrophobicContact CZ-CB 4.48Å; F111-L115 WeakPolarHBondContact O-CB 3.12Å; F111-L115 PolarHBondContact O-N 3.26Å; F111-W141 HydrophobicContact CD2-CD2 4.26Å; F111-W141 AromaticContact CD2-CE2 3.6Å; F111-W141 AromaticContact CD2-CH2 3.64Å; F111-W141 HydrophobicContact CD2-CH2 3.64Å; F111-W141 AromaticContact CD2-CZ2 3.27Å; F111-W141 HydrophobicContact CD2-CZ2 3.27Å; F111-W141 HydrophobicContact CD2-CZ3 4.29Å; F111-W141 HydrophobicContact CE2-CD2 4.29Å; F111-W141 HydrophobicContact CE2-CE3 4.17Å; F111-W141 AromaticContact CE2-CH2 3.47Å; F111-W141 HydrophobicContact CE2-CH2 3.47Å; F111-W141 VanDerWaalsContact CE2-CH2 3.47Å; F111-W141 AromaticContact CE2-CZ2 3.63Å; F111-W141 HydrophobicContact CE2-CZ2 3.63Å; F111-W141 AromaticContact CE2-CZ3 3.78Å; F111-W141 HydrophobicContact CE2-CZ3 3.78Å; F111-W141 HydrophobicContact CG-CZ2 4.29Å
112A95.2Very high94.7Very high44 Ų4450.1 Ų50.136%0.36426%0.263SS..Hα-helixtrans-59.2-37.9173.800000112.3P108 G109 V110 N116P108-A112 PolarHBondContact O-N 2.86Å; G109-A112 WeakPolarHBondContact O-CB 3.48Å; G109-A112 PolarHBondContact O-N 2.98Å; V110-A112 PolarHBondContact O-N 2.85Å; A112-N116 WeakPolarHBondContact O-CB 3.47Å; A112-N116 PolarHBondContact O-N 2.96Å
113Y95.6Very high95Very high80 Ų8048.7 Ų48.731%0.31426%0.256SS..Hα-helixtrans-73.2-42176.2-69.4-98.2000111.8G109 V110 F111 L115 N116 Y117 H124 P126G109-Y113 WeakPolarHBondContact O-CD2 3.41Å; V110-Y113 WeakPolarHBondContact O-CB 3.47Å; V110-Y113 PolarHBondContact O-N 3.39Å; F111-Y113 VanDerWaalsContact C-N 3.26Å; F111-Y113 PolarHBondContact O-N 3.35Å; Y113-L115 VanDerWaalsContact C-N 3.35Å; Y113-L115 PolarHBondContact O-N 3.02Å; Y113-N116 WeakPolarHBondContact O-CB 3.28Å; Y113-N116 PolarHBondContact O-N 3.02Å; Y113-Y117 PolarHBondContact O-N 3.12Å; Y113-H124 HydrophobicContact CD1-CB 4.36Å; Y113-H124 WeakPolarHBondContact CD1-O 3.44Å; Y113-P126 HydrophobicContact CD2-CB 4.06Å; Y113-P126 HydrophobicContact CD2-CG 3.99Å; Y113-P126 HydrophobicContact CE1-CB 4.36Å; Y113-P126 HydrophobicContact CE2-CB 3.55Å; Y113-P126 HydrophobicContact CE2-CG 4.02Å; Y113-P126 HydrophobicContact CG-CG 4.38Å
114V96.1Very high95.1Very high0 Ų047.5 Ų47.50%025%0.252CS..Hα-helixtrans-55.5-51.2172.8169.90000110V110 F111 N116 Y117 Y118 W141 I143V110-V114 HydrophobicContact CG1-CG2 4.36Å; V110-V114 PolarHBondContact O-N 2.63Å; V110-V114 VanDerWaalsContact O-N 3.13Å; F111-V114 HydrophobicContact CD2-CB 4.28Å; F111-V114 HydrophobicContact CD2-CG1 4.25Å; F111-V114 HydrophobicContact CE2-CG1 4.29Å; F111-V114 PolarHBondContact O-N 2.74Å; V114-N116 VanDerWaalsContact C-N 3.32Å; V114-N116 PolarHBondContact O-N 2.81Å; V114-Y117 VanDerWaalsContact O-CB 3.31Å; V114-Y117 WeakPolarHBondContact O-CB 3.45Å; V114-Y117 PolarHBondContact O-N 3.14Å; V114-Y117 VanDerWaalsContact O-N 3.15Å; V114-Y118 HydrophobicContact CG1-CE2 3.94Å; V114-Y118 WeakPolarHBondContact O-CD2 3.5Å; V114-Y118 PolarHBondContact O-N 2.84Å; V114-W141 HydrophobicContact CG1-CB 4.19Å; V114-W141 HydrophobicContact CG1-CD2 4.28Å; V114-W141 HydrophobicContact CG1-CG 3.91Å; V114-W141 HydrophobicContact CG2-CG 4.27Å; V114-I143 HydrophobicContact CB-CD1 4.46Å; V114-I143 HydrophobicContact CG1-CD1 3.71Å; V114-I143 HydrophobicContact CG2-CD1 4.39Å
115L95.7Very high95Very high2 Ų247.9 Ų47.91%0.0126%0.256CS..Hα-helixtrans-65.1-35.7179-176.660.6000112.4H19 T21 L26 F111 Y113 Y117 Y118 R119H19-L115 HydrophobicContact CB-CD2 3.74Å; T21-L115 HydrophobicContact CG2-CD1 4.16Å; L26-L115 HydrophobicContact CD2-CD1 4.33Å; F111-L115 HydrophobicContact CE1-CB 4.2Å; F111-L115 HydrophobicContact CE1-CD2 4.32Å; F111-L115 HydrophobicContact CZ-CB 4.48Å; F111-L115 WeakPolarHBondContact O-CB 3.12Å; F111-L115 PolarHBondContact O-N 3.26Å; Y113-L115 VanDerWaalsContact C-N 3.35Å; Y113-L115 PolarHBondContact O-N 3.02Å; L115-Y117 VanDerWaalsContact C-N 3.28Å; L115-Y117 PolarHBondContact O-N 3.35Å; L115-Y118 PolarHBondContact O-N 2.76Å; L115-R119 WeakPolarHBondContact O-CG 3.37Å; L115-R119 PolarHBondContact O-N 3.18Å
116N95Very high94.9Very high61 Ų6141.6 Ų41.633%0.32622%0.223SC..Hα-helixtrans-62.5-37.4174.7-165.254.1000111.5A112 Y113 V114 Y118 R119 T120A112-N116 WeakPolarHBondContact O-CB 3.47Å; A112-N116 PolarHBondContact O-N 2.96Å; Y113-N116 WeakPolarHBondContact O-CB 3.28Å; Y113-N116 PolarHBondContact O-N 3.02Å; V114-N116 VanDerWaalsContact C-N 3.32Å; V114-N116 PolarHBondContact O-N 2.81Å; N116-Y118 PolarHBondContact O-N 2.81Å; N116-R119 CarbonylContact O-C 3.49Å; N116-R119 WeakPolarHBondContact O-CA 3.31Å; N116-R119 WeakPolarHBondContact O-CB 3.5Å; N116-R119 PolarHBondContact O-N 3.4Å; N116-T120 WeakPolarHBondContact O-CG2 3.41Å; N116-T120 PolarHBondContact O-N 3.28Å; N116-T120 PolarHBondContact O-OG1 3.11Å; N116-T120 WeakPolarHBondContact OD1-CG2 3.4Å
117Y96.4Very high94.5Very high19 Ų1942.5 Ų42.58%0.07524%0.244CC..Hα-helixtrans-58.7-42.9175178-129.2000112.5L29 Y113 V114 L115 R119 T120 G121 K122 L123 I143 D147L29-Y117 HydrophobicContact CD1-CD1 3.26Å; L29-Y117 HydrophobicContact CD1-CE1 3.19Å; L29-Y117 HydrophobicContact CD1-CG 3.98Å; L29-Y117 HydrophobicContact CD2-CE1 3.96Å; L29-Y117 HydrophobicContact CG-CE1 4.19Å; Y113-Y117 PolarHBondContact O-N 3.12Å; V114-Y117 VanDerWaalsContact O-CB 3.31Å; V114-Y117 WeakPolarHBondContact O-CB 3.45Å; V114-Y117 PolarHBondContact O-N 3.14Å; V114-Y117 VanDerWaalsContact O-N 3.15Å; L115-Y117 VanDerWaalsContact C-N 3.28Å; L115-Y117 PolarHBondContact O-N 3.35Å; Y117-R119 PolarHBondContact O-N 3.28Å; Y117-T120 PolarHBondContact O-N 2.82Å; Y117-G121 WeakPolarHBondContact CE2-O 3.41Å; Y117-G121 VanDerWaalsContact O-CA 3.28Å; Y117-G121 WeakPolarHBondContact O-CA 3.44Å; Y117-G121 PolarHBondContact O-N 3.3Å; Y117-K122 VanDerWaalsContact CD2-C 3.49Å; Y117-L123 HydrophobicContact CD1-CD1 4.38Å; Y117-L123 HydrophobicContact CD2-CB 3.63Å; Y117-L123 HydrophobicContact CE2-CB 4Å; Y117-L123 HydrophobicContact CG-CB 3.93Å; Y117-L123 HydrophobicContact CG-CD1 4.05Å; Y117-I143 HydrophobicContact CD1-CD1 3.98Å; Y117-I143 HydrophobicContact CD1-CG1 4.36Å; Y117-I143 HydrophobicContact CD1-CG2 4.08Å; Y117-I143 HydrophobicContact CE1-CD1 4.5Å; Y117-I143 HydrophobicContact CE1-CG1 4.39Å; Y117-I143 HydrophobicContact CE1-CG2 3.76Å; Y117-D147 HydrophobicContact CE2-CB 4.41Å; Y117-D147 PolarHBondContact OH-OD2 2.92Å; Y117-D147 VanDerWaalsContact OH-OD2 3.12Å
118Y95.4Very high94.3Very high5 Ų544.8 Ų44.82%0.0226%0.258CS..Hα-helixtrans-62.6-29.6173-70.8-97000113.3L26 T28 L29 T32 L34 V114 L115 N116 I143L26-Y118 HydrophobicContact CD2-CD1 4.29Å; L26-Y118 HydrophobicContact CD2-CG 4.4Å; T28-Y118 PolarHBondContact OG1-O 3.5Å; T28-Y118 VanDerWaalsContact OG1-O 3.06Å; L29-Y118 HydrophobicContact CB-CD1 4.07Å; L29-Y118 HydrophobicContact CB-CE1 3.85Å; L29-Y118 HydrophobicContact CD1-CD1 3.76Å; L29-Y118 HydrophobicContact CD1-CD2 4.15Å; L29-Y118 HydrophobicContact CD1-CE1 3.95Å; L29-Y118 HydrophobicContact CD1-CE2 4.27Å; L29-Y118 HydrophobicContact CD1-CG 3.87Å; L29-Y118 HydrophobicContact CG-CD1 4.15Å; L29-Y118 HydrophobicContact CG-CE1 4.36Å; T32-Y118 WeakPolarHBondContact CB-OH 3.48Å; T32-Y118 WeakPolarHBondContact OG1-CE1 3.39Å; T32-Y118 PolarHBondContact OG1-OH 3.46Å; L34-Y118 HydrophobicContact CB-CE1 4.08Å; L34-Y118 HydrophobicContact CD1-CD2 4.27Å; L34-Y118 HydrophobicContact CD1-CE2 3.7Å; L34-Y118 HydrophobicContact CG-CE2 4.48Å; V114-Y118 HydrophobicContact CG1-CE2 3.94Å; V114-Y118 WeakPolarHBondContact O-CD2 3.5Å; V114-Y118 PolarHBondContact O-N 2.84Å; L115-Y118 PolarHBondContact O-N 2.76Å; N116-Y118 PolarHBondContact O-N 2.81Å; Y118-I143 HydrophobicContact CE2-CD1 4.24Å
119R95.1Very high94Very high138 Ų13843.4 Ų43.452%0.52125%0.249SC..Hα-helixtrans-82.6-36.8-178.1-69.6170.8174.4171.7-2.9112.8E20 T25 L115 N116 Y117E20-R119 PolarHBondContact O-NH2 3.35Å; T25-R119 HydrophobicContact CG2-CG 3.79Å; L115-R119 WeakPolarHBondContact O-CG 3.37Å; L115-R119 PolarHBondContact O-N 3.18Å; N116-R119 CarbonylContact O-C 3.49Å; N116-R119 WeakPolarHBondContact O-CA 3.31Å; N116-R119 WeakPolarHBondContact O-CB 3.5Å; N116-R119 PolarHBondContact O-N 3.4Å; Y117-R119 PolarHBondContact O-N 3.28Å
120T94.8Very high93.7Very high72 Ų7242.6 Ų42.644%0.44224%0.238SC..Hα-helixtrans-109.9-20.4-170.264.40000113.6N116 Y117 K122N116-T120 WeakPolarHBondContact O-CG2 3.41Å; N116-T120 PolarHBondContact O-N 3.28Å; N116-T120 PolarHBondContact O-OG1 3.11Å; N116-T120 WeakPolarHBondContact OD1-CG2 3.4Å; Y117-T120 PolarHBondContact O-N 2.82Å; T120-K122 PolarHBondContact O-N 3.27Å; T120-K122 PolarHBondContact OG1-N 3.42Å; T120-K122 PolarHBondContact OG1-O 3.32Å
121G93.9Very high93.4Very high47 Ų4743.1 Ų43.149%0.48524%0.244SC..SBendtrans728.8-167.600000114.1Y117Y117-G121 WeakPolarHBondContact CE2-O 3.41Å; Y117-G121 VanDerWaalsContact O-CA 3.28Å; Y117-G121 WeakPolarHBondContact O-CA 3.44Å; Y117-G121 PolarHBondContact O-N 3.3Å
122K94.7Very high93.1Very high110 Ų11043.5 Ų43.548%0.47825%0.246SC..  trans-123.4119.7-177.6-60.2-166.2177.6-170.20111.8Y117 T120 E149Y117-K122 VanDerWaalsContact CD2-C 3.49Å; T120-K122 PolarHBondContact O-N 3.27Å; T120-K122 PolarHBondContact OG1-N 3.42Å; T120-K122 PolarHBondContact OG1-O 3.32Å; K122-E149 HydrophobicContact CB-CG 3.93Å; K122-E149 WeakPolarHBondContact CG-OE1 3.21Å
123L95.8Very high92.9Very high0 Ų043.8 Ų43.80%024%0.241CC..BIsolated β-bridgetrans-95.9113.9-178.3-175.665.2000110.3Y117 F134 L138 I143 D147 V148 E149Y117-L123 HydrophobicContact CD1-CD1 4.38Å; Y117-L123 HydrophobicContact CD2-CB 3.63Å; Y117-L123 HydrophobicContact CE2-CB 4Å; Y117-L123 HydrophobicContact CG-CB 3.93Å; Y117-L123 HydrophobicContact CG-CD1 4.05Å; L123-F134 HydrophobicContact CD1-CZ 4.28Å; L123-F134 HydrophobicContact CG-CZ 4.49Å; L123-L138 HydrophobicContact CD1-CD2 4.2Å; L123-L138 HydrophobicContact CD2-CD1 4.1Å; L123-L138 HydrophobicContact CD2-CD2 3.89Å; L123-I143 HydrophobicContact CD2-CG2 3.86Å; L123-D147 WeakPolarHBondContact CB-O 3.34Å; L123-D147 HydrophobicContact CD2-CB 4.2Å; L123-V148 HydrophobicContact CD2-CG2 3.75Å; L123-V148 HydrophobicContact CG-CG2 4.25Å; L123-E149 WeakPolarHBondContact O-CG 3.24Å; L123-E149 PolarHBondContact O-N 2.86Å
124H94.9Very high92.8Very high60 Ų6040.1 Ų40.128%0.27823%0.227SC..  trans-108.4150.9174.8-67.1-68.3000110.7Y113 C151 C152Y113-H124 HydrophobicContact CD1-CB 4.36Å; Y113-H124 WeakPolarHBondContact CD1-O 3.44Å; H124-C151 PolarHBondContact CE1-SG 3.13Å; H124-C151 PolarHBondContact ND1-SG 3.31Å; H124-C151 VanDerWaalsContact ND1-SG 3.4Å; H124-C152 PolarHBondContact ND1-SG 3.42Å
125C92.3Very high92.6Very high21 Ų2143.3 Ų43.314%0.14224%0.242CC..  trans-94.5135.6179.2-57.10000111.5F134 V148 C152C125-F134 HydrophobicContact CB-CE1 4.17Å; C125-F134 WeakPolarHBondContact SG-CE1 3.22Å; C125-V148 VanDerWaalsContact SG-CG1 3.5Å; C125-C152 HydrophobicContact CB-CB 3.97Å; C125-C152 PolarHBondContact N-SG 3.42Å; C125-C152 VanDerWaalsContact N-SG 3.37Å
126P92.2Very high92.5Very high6 Ų648.9 Ų48.94%0.03927%0.268CS..  trans-63.1137.1168.813.7-18000112V110 Y113 D128 V129 F134V110-P126 HydrophobicContact CG2-CG 4.43Å; Y113-P126 HydrophobicContact CD2-CB 4.06Å; Y113-P126 HydrophobicContact CD2-CG 3.99Å; Y113-P126 HydrophobicContact CE1-CB 4.36Å; Y113-P126 HydrophobicContact CE2-CB 3.55Å; Y113-P126 HydrophobicContact CE2-CG 4.02Å; Y113-P126 HydrophobicContact CG-CG 4.38Å; P126-D128 VanDerWaalsContact C-N 3.35Å; P126-D128 WeakPolarHBondContact CB-OD1 3.44Å; P126-V129 HydrophobicContact CB-CB 4.05Å; P126-V129 HydrophobicContact CB-CG2 3.76Å; P126-V129 HydrophobicContact CG-CB 3.82Å; P126-V129 HydrophobicContact CG-CG1 4.47Å; P126-V129 HydrophobicContact CG-CG2 3.75Å; P126-F134 HydrophobicContact CG-CD2 3.98Å; P126-F134 HydrophobicContact CG-CE2 4.16Å
127A88Confident92.5Very high83 Ų8346.3 Ų46.369%0.68625%0.254SS*.THydrogen-bonded Turntrans-79.5-17.4179.300000113.7
128D89.3Confident92.4Very high115 Ų11545.5 Ų45.562%0.61525%0.251SS*.THydrogen-bonded Turntrans-97.61.7-176.260.5-44000113.6P126P126-D128 VanDerWaalsContact C-N 3.35Å; P126-D128 WeakPolarHBondContact CB-OD1 3.44Å
129V88.9Confident92.4Very high15 Ų1548.7 Ų48.79%0.09128%0.278CS..SBendtrans-117.2135.3-176.3177.80000109.4V110 P126 L133 F134V110-V129 HydrophobicContact CG2-CB 4.46Å; V110-V129 HydrophobicContact CG2-CG1 3.83Å; V110-V129 HydrophobicContact CG2-CG2 3.95Å; P126-V129 HydrophobicContact CB-CB 4.05Å; P126-V129 HydrophobicContact CB-CG2 3.76Å; P126-V129 HydrophobicContact CG-CB 3.82Å; P126-V129 HydrophobicContact CG-CG1 4.47Å; P126-V129 HydrophobicContact CG-CG2 3.75Å; V129-L133 HydrophobicContact CG1-CB 4.08Å; V129-L133 HydrophobicContact CG1-CD2 3.83Å; V129-L133 HydrophobicContact CG1-CG 3.91Å; V129-F134 HydrophobicContact CG1-CB 4.29Å
130C87.7Confident92.4Very high16 Ų1644.2 Ų44.211%0.10826%0.263CS..  trans-67.4145.3175.256.80000111.5L133 F134 C575C130-L133 PolarHBondContact O-N 2.96Å; C130-L133 WeakPolarHBondContact SG-CB 3.37Å; C130-F134 PolarHBondContact O-N 3.4Å; C130-F134 VanDerWaalsContact O-N 3.13Å; C130-C575 HydrophobicContact CB-CB 3.66Å; C130-C575 WeakPolarHBondContact CB-SG 3.34Å; C130-C575 WeakPolarHBondContact SG-CB 3.29Å; C130-C575 CovalentContact SG-SG 2.06Å; C130-C575 PolarHBondContact SG-SG 2.82Å
131G88.5Confident92.4Very high12 Ų1240.8 Ų40.812%0.12424%0.242CC..Hα-helixtrans-48.3-48.8178.300000115L133 F134 E135G131-L133 PolarHBondContact O-N 3.46Å; G131-F134 WeakPolarHBondContact O-CB 3.41Å; G131-F134 PolarHBondContact O-N 3.15Å; G131-F134 VanDerWaalsContact O-N 3.12Å; G131-E135 PolarHBondContact O-N 2.94Å
132P88.6Confident92.4Very high8 Ų840.6 Ų40.65%0.05224%0.239CC..Hα-helixtrans-61.6-41179.9-24.833.9000113.4F134 E135 E136 H159P132-F134 VanDerWaalsContact C-N 3.3Å; P132-F134 PolarHBondContact O-N 2.85Å; P132-E135 PolarHBondContact O-N 2.98Å; P132-E136 WeakPolarHBondContact O-CG 3.38Å; P132-E136 PolarHBondContact O-N 3.47Å; P132-H159 HydrophobicContact CG-CB 4.34Å
133L91.7Very high92.4Very high49 Ų4935.8 Ų35.826%0.25722%0.219SC..Hα-helixtrans-64.2-37.6176.3174.659.5000111.4V129 C130 G131 E137V129-L133 HydrophobicContact CG1-CB 4.08Å; V129-L133 HydrophobicContact CG1-CD2 3.83Å; V129-L133 HydrophobicContact CG1-CG 3.91Å; C130-L133 PolarHBondContact O-N 2.96Å; C130-L133 WeakPolarHBondContact SG-CB 3.37Å; G131-L133 PolarHBondContact O-N 3.46Å; L133-E137 WeakPolarHBondContact O-CG 3.42Å; L133-E137 PolarHBondContact O-N 3.06Å
134F93.9Very high92.2Very high3 Ų340 Ų401%0.01324%0.242CC..Hα-helixtrans-67.3-41.8175.6-171.5-115.7000111.7V110 L123 C125 P126 V129 C130 G131 P132 E137 L138 V148 Y156V110-F134 HydrophobicContact CG1-CD2 3.61Å; V110-F134 HydrophobicContact CG1-CE2 3.83Å; V110-F134 HydrophobicContact CG2-CD2 4.41Å; L123-F134 HydrophobicContact CD1-CZ 4.28Å; L123-F134 HydrophobicContact CG-CZ 4.49Å; C125-F134 HydrophobicContact CB-CE1 4.17Å; C125-F134 WeakPolarHBondContact SG-CE1 3.22Å; P126-F134 HydrophobicContact CG-CD2 3.98Å; P126-F134 HydrophobicContact CG-CE2 4.16Å; V129-F134 HydrophobicContact CG1-CB 4.29Å; C130-F134 PolarHBondContact O-N 3.4Å; C130-F134 VanDerWaalsContact O-N 3.13Å; G131-F134 WeakPolarHBondContact O-CB 3.41Å; G131-F134 PolarHBondContact O-N 3.15Å; G131-F134 VanDerWaalsContact O-N 3.12Å; P132-F134 VanDerWaalsContact C-N 3.3Å; P132-F134 PolarHBondContact O-N 2.85Å; F134-E137 PolarHBondContact O-N 3.45Å; F134-L138 HydrophobicContact CD1-CD1 3.97Å; F134-L138 HydrophobicContact CD1-CG 4.27Å; F134-L138 HydrophobicContact CE1-CD1 3.61Å; F134-L138 HydrophobicContact CE1-CD2 4.24Å; F134-L138 HydrophobicContact CE1-CG 4.02Å; F134-L138 HydrophobicContact CE2-CD2 4.3Å; F134-L138 HydrophobicContact CZ-CD1 4.16Å; F134-L138 HydrophobicContact CZ-CD2 3.93Å; F134-L138 HydrophobicContact CZ-CG 4.17Å; F134-L138 WeakPolarHBondContact O-CG 3.45Å; F134-L138 PolarHBondContact O-N 3.14Å; F134-V148 HydrophobicContact CE1-CG2 4.23Å; F134-Y156 AromaticContact CD1-CD2 3.87Å; F134-Y156 HydrophobicContact CD1-CD2 3.87Å; F134-Y156 HydrophobicContact CD1-CE2 4.05Å
135E92Very high92Very high67 Ų6739.7 Ų39.731%0.31324%0.24SC..Hα-helixtrans-60.1-46.1174.6-174.9176.4153.900112.1G131 P132 E137 L138 A139 Y156 H159G131-E135 PolarHBondContact O-N 2.94Å; P132-E135 PolarHBondContact O-N 2.98Å; E135-E137 VanDerWaalsContact C-N 3.25Å; E135-E137 PolarHBondContact O-N 3.19Å; E135-L138 PolarHBondContact O-N 2.99Å; E135-A139 WeakPolarHBondContact O-CB 3.44Å; E135-A139 PolarHBondContact O-N 3.19Å; E135-Y156 HydrophobicContact CB-CE2 4.31Å; E135-Y156 PolarHBondContact OE2-OH 3.3Å; E135-H159 IonicContact OE2-CE1 3.68Å; E135-H159 IonicContact OE2-NE2 2.86Å; E135-H159 PolarHBondContact OE2-NE2 3.06Å
136E93.4Very high92Very high119 Ų11943 Ų4356%0.55626%0.26SS*.Hα-helixtrans-59-35.1175.5-74.7-178-179.200112.9R106 P132 F140R106-E136 PolarHBondContact NH2-O 3.05Å; P132-E136 WeakPolarHBondContact O-CG 3.38Å; P132-E136 PolarHBondContact O-N 3.47Å; E136-F140 WeakPolarHBondContact O-CB 3.3Å; E136-F140 PolarHBondContact O-N 3.42Å
137E95Very high92Very high7 Ų745.8 Ų45.83%0.03327%0.274CS..Hα-helixtrans-72.1-48.6174.3-72.9-66.4133.800111.4R106 H107 V110 L133 F134 E135 A139 F140 W141R106-E137 IonicContact CZ-OE1 3.88Å; R106-E137 IonicContact NE-OE1 3.9Å; R106-E137 PolarHBondContact NE-OE1 2.78Å; R106-E137 IonicContact NE-OE2 3.22Å; R106-E137 IonicContact NH2-OE1 3.03Å; R106-E137 PolarHBondContact NH2-OE1 2.78Å; R106-E137 IonicContact NH2-OE2 3.79Å; H107-E137 HydrophobicContact CB-CG 4.42Å; V110-E137 HydrophobicContact CB-CB 4.39Å; V110-E137 HydrophobicContact CB-CG 4.06Å; V110-E137 HydrophobicContact CG1-CB 3.53Å; V110-E137 HydrophobicContact CG1-CG 3.76Å; V110-E137 HydrophobicContact CG2-CG 4.3Å; L133-E137 WeakPolarHBondContact O-CG 3.42Å; L133-E137 PolarHBondContact O-N 3.06Å; F134-E137 PolarHBondContact O-N 3.45Å; E135-E137 VanDerWaalsContact C-N 3.25Å; E135-E137 PolarHBondContact O-N 3.19Å; E137-A139 VanDerWaalsContact C-N 3.33Å; E137-A139 PolarHBondContact O-N 3.02Å; E137-F140 WeakPolarHBondContact O-CB 3.42Å; E137-F140 PolarHBondContact O-N 3.31Å; E137-F140 VanDerWaalsContact O-N 3.08Å; E137-W141 PolarHBondContact O-N 3.05Å; E137-W141 PolarHBondContact OE2-NE1 2.88Å
138L94.8Very high92.3Very high2 Ų242.2 Ų42.21%0.0124%0.244CC..Hα-helixtrans-57.2-46.4177.5-67.7-175.1000111.8L123 F134 E135 F140 W141 G142 I143 V148L123-L138 HydrophobicContact CD1-CD2 4.2Å; L123-L138 HydrophobicContact CD2-CD1 4.1Å; L123-L138 HydrophobicContact CD2-CD2 3.89Å; F134-L138 HydrophobicContact CD1-CD1 3.97Å; F134-L138 HydrophobicContact CD1-CG 4.27Å; F134-L138 HydrophobicContact CE1-CD1 3.61Å; F134-L138 HydrophobicContact CE1-CD2 4.24Å; F134-L138 HydrophobicContact CE1-CG 4.02Å; F134-L138 HydrophobicContact CE2-CD2 4.3Å; F134-L138 HydrophobicContact CZ-CD1 4.16Å; F134-L138 HydrophobicContact CZ-CD2 3.93Å; F134-L138 HydrophobicContact CZ-CG 4.17Å; F134-L138 WeakPolarHBondContact O-CG 3.45Å; F134-L138 PolarHBondContact O-N 3.14Å; E135-L138 PolarHBondContact O-N 2.99Å; L138-F140 VanDerWaalsContact C-N 3.29Å; L138-F140 PolarHBondContact O-N 3.46Å; L138-W141 PolarHBondContact O-N 2.62Å; L138-G142 PolarHBondContact O-N 3.01Å; L138-I143 HydrophobicContact CD2-CB 4.18Å; L138-I143 HydrophobicContact CD2-CD1 4.49Å; L138-I143 HydrophobicContact CD2-CG2 4.09Å; L138-I143 PolarHBondContact O-N 3.19Å; L138-V148 HydrophobicContact CD1-CG2 4.38Å
139A94.7Very high92.6Very high73 Ų7339.2 Ų39.260%0.60323%0.226SC*.Hα-helixtrans-59.5-39.2176.100000111.9E135 E137 G142E135-A139 WeakPolarHBondContact O-CB 3.44Å; E135-A139 PolarHBondContact O-N 3.19Å; E137-A139 VanDerWaalsContact C-N 3.33Å; E137-A139 PolarHBondContact O-N 3.02Å; A139-G142 PolarHBondContact O-N 3.45Å
140F95.1Very high92.8Very high44 Ų4443.6 Ų43.619%0.19326%0.255CS..Hα-helixtrans-65.8-44.4175.2172.8-104.7000112.7R33 F104 R106 E136 E137 L138 G142R33-F140 PolarHBondContact NE-O 3.26Å; R33-F140 PolarHBondContact NH2-O 3.18Å; F104-F140 HydrophobicContact CD1-CE1 4.25Å; F104-F140 HydrophobicContact CD1-CZ 4.15Å; R106-F140 HydrophobicContact CG-CD1 4.25Å; R106-F140 HydrophobicContact CG-CE1 3.77Å; R106-F140 HydrophobicContact CG-CZ 4.11Å; R106-F140 VanDerWaalsContact CZ-CB 3.47Å; R106-F140 VanDerWaalsContact NH1-CB 3.25Å; R106-F140 VanDerWaalsContact NH2-CB 3.27Å; E136-F140 WeakPolarHBondContact O-CB 3.3Å; E136-F140 PolarHBondContact O-N 3.42Å; E137-F140 WeakPolarHBondContact O-CB 3.42Å; E137-F140 PolarHBondContact O-N 3.31Å; E137-F140 VanDerWaalsContact O-N 3.08Å; L138-F140 VanDerWaalsContact C-N 3.29Å; L138-F140 PolarHBondContact O-N 3.46Å; F140-G142 PolarHBondContact O-N 3.17Å
141W95.5Very high93.1Very high0 Ų047.2 Ų47.20%028%0.28CS..Hα-helixtrans-75.1-9.6-179.5-63112.5000113.1V14 R33 L34 F104 R106 F111 V114 E137 L138 I143V14-W141 HydrophobicContact CG1-CZ2 4.41Å; V14-W141 HydrophobicContact CG2-CH2 4.37Å; R33-W141 WeakPolarHBondContact CB-O 3.4Å; R33-W141 PolarHBondContact N-O 3.17Å; L34-W141 HydrophobicContact CD1-CE3 4.47Å; L34-W141 HydrophobicContact CD2-CE3 4.07Å; L34-W141 HydrophobicContact CD2-CZ3 3.67Å; L34-W141 HydrophobicContact CG-CE3 4.04Å; L34-W141 HydrophobicContact CG-CZ3 4.16Å; F104-W141 HydrophobicContact CB-CH2 4.04Å; F104-W141 AromaticContact CD1-CH2 3.8Å; F104-W141 HydrophobicContact CD1-CH2 3.8Å; F104-W141 HydrophobicContact CD1-CZ3 4.04Å; F104-W141 AromaticContact CD2-CH2 3.92Å; F104-W141 HydrophobicContact CD2-CH2 3.92Å; F104-W141 HydrophobicContact CD2-CZ3 4.4Å; F104-W141 HydrophobicContact CE1-CH2 4.22Å; F104-W141 AromaticContact CE1-CZ3 4Å; F104-W141 HydrophobicContact CE1-CZ3 4Å; F104-W141 HydrophobicContact CE2-CH2 4.33Å; F104-W141 HydrophobicContact CE2-CZ3 4.37Å; F104-W141 AromaticContact CG-CH2 3.64Å; F104-W141 HydrophobicContact CG-CH2 3.64Å; F104-W141 HydrophobicContact CG-CZ3 4.24Å; F104-W141 HydrophobicContact CZ-CH2 4.46Å; F104-W141 HydrophobicContact CZ-CZ3 4.16Å; R106-W141 HydrophobicContact CB-CZ2 4.31Å; R106-W141 HydrophobicContact CG-CZ2 4.42Å; F111-W141 HydrophobicContact CD2-CD2 4.26Å; F111-W141 AromaticContact CD2-CE2 3.6Å; F111-W141 AromaticContact CD2-CH2 3.64Å; F111-W141 HydrophobicContact CD2-CH2 3.64Å; F111-W141 AromaticContact CD2-CZ2 3.27Å; F111-W141 HydrophobicContact CD2-CZ2 3.27Å; F111-W141 HydrophobicContact CD2-CZ3 4.29Å; F111-W141 HydrophobicContact CE2-CD2 4.29Å; F111-W141 HydrophobicContact CE2-CE3 4.17Å; F111-W141 AromaticContact CE2-CH2 3.47Å; F111-W141 HydrophobicContact CE2-CH2 3.47Å; F111-W141 VanDerWaalsContact CE2-CH2 3.47Å; F111-W141 AromaticContact CE2-CZ2 3.63Å; F111-W141 HydrophobicContact CE2-CZ2 3.63Å; F111-W141 AromaticContact CE2-CZ3 3.78Å; F111-W141 HydrophobicContact CE2-CZ3 3.78Å; F111-W141 HydrophobicContact CG-CZ2 4.29Å; V114-W141 HydrophobicContact CG1-CB 4.19Å; V114-W141 HydrophobicContact CG1-CD2 4.28Å; V114-W141 HydrophobicContact CG1-CG 3.91Å; V114-W141 HydrophobicContact CG2-CG 4.27Å; E137-W141 PolarHBondContact O-N 3.05Å; E137-W141 PolarHBondContact OE2-NE1 2.88Å; L138-W141 PolarHBondContact O-N 2.62Å; W141-I143 HydrophobicContact CB-CD1 4.03Å; W141-I143 HydrophobicContact CB-CG1 4.33Å
142G93.1Very high93.3Very high42 Ų4247.5 Ų47.543%0.43328%0.28SS..THydrogen-bonded Turntrans7335.3-179.700000112.2L138 A139 F140L138-G142 PolarHBondContact O-N 3.01Å; A139-G142 PolarHBondContact O-N 3.45Å; F140-G142 PolarHBondContact O-N 3.17Å
143I95.1Very high93.4Very high10 Ų1050.7 Ų50.75%0.05129%0.29CS..  trans-103.7135176.4-64.5165.3000107.8T32 V114 Y117 Y118 L123 L138 W141T32-I143 HydrophobicContact CG2-CG1 4.07Å; V114-I143 HydrophobicContact CB-CD1 4.46Å; V114-I143 HydrophobicContact CG1-CD1 3.71Å; V114-I143 HydrophobicContact CG2-CD1 4.39Å; Y117-I143 HydrophobicContact CD1-CD1 3.98Å; Y117-I143 HydrophobicContact CD1-CG1 4.36Å; Y117-I143 HydrophobicContact CD1-CG2 4.08Å; Y117-I143 HydrophobicContact CE1-CD1 4.5Å; Y117-I143 HydrophobicContact CE1-CG1 4.39Å; Y117-I143 HydrophobicContact CE1-CG2 3.76Å; Y118-I143 HydrophobicContact CE2-CD1 4.24Å; L123-I143 HydrophobicContact CD2-CG2 3.86Å; L138-I143 HydrophobicContact CD2-CB 4.18Å; L138-I143 HydrophobicContact CD2-CD1 4.49Å; L138-I143 HydrophobicContact CD2-CG2 4.09Å; L138-I143 PolarHBondContact O-N 3.19Å; W141-I143 HydrophobicContact CB-CD1 4.03Å; W141-I143 HydrophobicContact CB-CG1 4.33Å
144D92.4Very high93.1Very high89 Ų8954.1 Ų54.148%0.47631%0.307SS..  trans-74.1136179.9-163-58.8000109.8T146 D147D144-T146 VanDerWaalsContact CG-OG1 3.25Å; D144-T146 PolarHBondContact O-N 2.93Å; D144-T146 VanDerWaalsContact OD1-CB 3.31Å; D144-T146 WeakPolarHBondContact OD1-CB 3.41Å; D144-T146 WeakPolarHBondContact OD1-CG2 3.48Å; D144-T146 PolarHBondContact OD1-N 3.23Å; D144-T146 PolarHBondContact OD1-OG1 3.3Å; D144-D147 WeakPolarHBondContact O-CB 3.48Å; D144-D147 PolarHBondContact O-N 2.8Å; D144-D147 VanDerWaalsContact O-N 3.14Å
145E90.5Very high92.8Very high52 Ų5256.8 Ų56.824%0.24332%0.323CS..G310 helixtrans-61.4-25.3177.565.5179.9-143.300112.6D147 V148 Y156 R160E145-D147 PolarHBondContact O-N 3.21Å; E145-V148 VanDerWaalsContact O-CG2 3.3Å; E145-V148 WeakPolarHBondContact O-CG2 3.48Å; E145-V148 PolarHBondContact O-N 3.18Å; E145-Y156 HydrophobicContact CB-CE1 3.96Å; E145-Y156 WeakPolarHBondContact CB-OH 3.35Å; E145-Y156 PolarHBondContact OE2-OH 3.23Å; E145-R160 IonicContact OE1-CZ 3.89Å; E145-R160 IonicContact OE1-NH1 3.24Å; E145-R160 PolarHBondContact OE1-NH1 3.18Å
146T91.6Very high92.7Very high92 Ų9253.8 Ų53.856%0.56431%0.309SS*.G310 helixtrans-72-11.6178.961.50000113.5D144 V148D144-T146 VanDerWaalsContact CG-OG1 3.25Å; D144-T146 PolarHBondContact O-N 2.93Å; D144-T146 VanDerWaalsContact OD1-CB 3.31Å; D144-T146 WeakPolarHBondContact OD1-CB 3.41Å; D144-T146 WeakPolarHBondContact OD1-CG2 3.48Å; D144-T146 PolarHBondContact OD1-N 3.23Å; D144-T146 PolarHBondContact OD1-OG1 3.3Å; T146-V148 PolarHBondContact O-N 3.36Å
147D93.2Very high92.4Very high64 Ų6452 Ų5234%0.34230%0.297SS..G310 helixtrans-76-8.6175-68.1-35.3000113.1Y117 L123 D144 E145 E149Y117-D147 HydrophobicContact CE2-CB 4.41Å; Y117-D147 PolarHBondContact OH-OD2 2.92Å; Y117-D147 VanDerWaalsContact OH-OD2 3.12Å; L123-D147 WeakPolarHBondContact CB-O 3.34Å; L123-D147 HydrophobicContact CD2-CB 4.2Å; D144-D147 WeakPolarHBondContact O-CB 3.48Å; D144-D147 PolarHBondContact O-N 2.8Å; D144-D147 VanDerWaalsContact O-N 3.14Å; E145-D147 PolarHBondContact O-N 3.21Å; D147-E149 PolarHBondContact O-N 3.39Å
148V94.2Very high91.8Very high8 Ų854.2 Ų54.25%0.04831%0.308CS..BIsolated β-bridgetrans-62.2127.7177.3172.40000110.9L123 C125 F134 L138 E145 T146 C152 W153 Y156L123-V148 HydrophobicContact CD2-CG2 3.75Å; L123-V148 HydrophobicContact CG-CG2 4.25Å; C125-V148 VanDerWaalsContact SG-CG1 3.5Å; F134-V148 HydrophobicContact CE1-CG2 4.23Å; L138-V148 HydrophobicContact CD1-CG2 4.38Å; E145-V148 VanDerWaalsContact O-CG2 3.3Å; E145-V148 WeakPolarHBondContact O-CG2 3.48Å; E145-V148 PolarHBondContact O-N 3.18Å; T146-V148 PolarHBondContact O-N 3.36Å; V148-C152 HydrophobicContact CG1-CB 3.81Å; V148-W153 HydrophobicContact CB-CE3 4.14Å; V148-W153 HydrophobicContact CG1-CE3 4.37Å; V148-Y156 HydrophobicContact CG2-CD1 4.44Å
149E94.8Very high91.2Very high52 Ų5255 Ų5524%0.24331%0.311CS..  trans-61.5148.1-178.7-74.1-73.9151.700112.8K122 L123 D147 C151 C152 W153K122-E149 HydrophobicContact CB-CG 3.93Å; K122-E149 WeakPolarHBondContact CG-OE1 3.21Å; L123-E149 WeakPolarHBondContact O-CG 3.24Å; L123-E149 PolarHBondContact O-N 2.86Å; D147-E149 PolarHBondContact O-N 3.39Å; E149-C151 PolarHBondContact O-N 3.34Å; E149-C152 PolarHBondContact O-N 3.19Å; E149-W153 PolarHBondContact O-N 3.33Å
150P93.7Very high90.7Very high106 Ų10655.1 Ų55.169%0.68830%0.296SS*.Hα-helixtrans-55.1-31.2-177.5-2835000114.9C152P150-C152 PolarHBondContact O-N 3.26Å
151C92.7Very high90Very high93 Ų9355.8 Ų55.863%0.62830%0.302SS*.Hα-helixtrans-69.5-21177.863.50000113.6H124 E149H124-C151 PolarHBondContact CE1-SG 3.13Å; H124-C151 PolarHBondContact ND1-SG 3.31Å; H124-C151 VanDerWaalsContact ND1-SG 3.4Å; E149-C151 PolarHBondContact O-N 3.34Å
152C92.6Very high89.1Confident18 Ų1856.2 Ų56.212%0.12231%0.305CS..Hα-helixtrans-106.2-16.6178.3-66.10000112.7H124 C125 V148 E149 P150 M154 T155 Y156H124-C152 PolarHBondContact ND1-SG 3.42Å; C125-C152 HydrophobicContact CB-CB 3.97Å; C125-C152 PolarHBondContact N-SG 3.42Å; C125-C152 VanDerWaalsContact N-SG 3.37Å; V148-C152 HydrophobicContact CG1-CB 3.81Å; E149-C152 PolarHBondContact O-N 3.19Å; P150-C152 PolarHBondContact O-N 3.26Å; C152-M154 VanDerWaalsContact C-N 3.35Å; C152-M154 PolarHBondContact O-N 3.37Å; C152-T155 PolarHBondContact O-N 2.9Å; C152-T155 VanDerWaalsContact O-N 3.13Å; C152-Y156 PolarHBondContact O-N 3.3Å
153W90.7Very high88.3Confident74 Ų7457 Ų5728%0.2830%0.298SS..Hα-helixtrans-53.8-46.1-175.7-176.7-105.5000113.4V148 E149 T155 Y156 R157V148-W153 HydrophobicContact CB-CE3 4.14Å; V148-W153 HydrophobicContact CG1-CE3 4.37Å; E149-W153 PolarHBondContact O-N 3.33Å; W153-T155 PolarHBondContact O-N 3.23Å; W153-Y156 HydrophobicContact CE3-CD1 4.31Å; W153-Y156 HydrophobicContact CZ3-CD1 4.19Å; W153-Y156 HydrophobicContact CZ3-CE1 4.41Å; W153-Y156 PolarHBondContact O-N 2.97Å; W153-R157 VanDerWaalsContact O-CB 3.27Å; W153-R157 WeakPolarHBondContact O-CB 3.46Å; W153-R157 PolarHBondContact O-N 2.92Å
154M86.9Confident87.4Confident121 Ų12162 Ų6260%0.59632%0.321SS*.Hα-helixtrans-61.3-44.9179.1-67.5-57.3-62.400111.7C152 R157 Q158C152-M154 VanDerWaalsContact C-N 3.35Å; C152-M154 PolarHBondContact O-N 3.37Å; M154-R157 PolarHBondContact O-N 3.37Å; M154-Q158 VanDerWaalsContact O-CG 3.29Å; M154-Q158 WeakPolarHBondContact O-CG 3.41Å; M154-Q158 PolarHBondContact O-N 2.95Å
155T86.6Confident86.3Confident59 Ų5958 Ų5836%0.36230%0.3SS..Hα-helixtrans-66.8-41.3178.8-51.50000111.9C152 W153C152-T155 PolarHBondContact O-N 2.9Å; C152-T155 VanDerWaalsContact O-N 3.13Å; W153-T155 PolarHBondContact O-N 3.23Å
156Y89.3Confident85.4Confident4 Ų456 Ų562%0.01629%0.29CS..Hα-helixtrans-61.2-47.5174.6174.5-116.9000111.2F134 E135 E145 V148 C152 W153 Q158 H159F134-Y156 AromaticContact CD1-CD2 3.87Å; F134-Y156 HydrophobicContact CD1-CD2 3.87Å; F134-Y156 HydrophobicContact CD1-CE2 4.05Å; E135-Y156 HydrophobicContact CB-CE2 4.31Å; E135-Y156 PolarHBondContact OE2-OH 3.3Å; E145-Y156 HydrophobicContact CB-CE1 3.96Å; E145-Y156 WeakPolarHBondContact CB-OH 3.35Å; E145-Y156 PolarHBondContact OE2-OH 3.23Å; V148-Y156 HydrophobicContact CG2-CD1 4.44Å; C152-Y156 PolarHBondContact O-N 3.3Å; W153-Y156 HydrophobicContact CE3-CD1 4.31Å; W153-Y156 HydrophobicContact CZ3-CD1 4.19Å; W153-Y156 HydrophobicContact CZ3-CE1 4.41Å; W153-Y156 PolarHBondContact O-N 2.97Å; Y156-Q158 VanDerWaalsContact C-N 3.33Å; Y156-Q158 PolarHBondContact O-N 3.44Å; Y156-H159 PolarHBondContact O-CE1 2.9Å; Y156-H159 PolarHBondContact O-ND1 3.14Å
157R87.9Confident84.4Confident81 Ų8155.3 Ų55.331%0.30628%0.284SS..Hα-helixtrans-72.4-21.3-175.9-165-178.317499.41.9114.2W153 M154 H159 R160 D161W153-R157 VanDerWaalsContact O-CB 3.27Å; W153-R157 WeakPolarHBondContact O-CB 3.46Å; W153-R157 PolarHBondContact O-N 2.92Å; M154-R157 PolarHBondContact O-N 3.37Å; R157-H159 PolarHBondContact O-N 3.48Å; R157-R160 HydrophobicContact CG-CB 4.49Å; R157-R160 WeakPolarHBondContact O-CA 3.37Å; R157-R160 PolarHBondContact O-N 3.36Å; R157-D161 IonicContact CZ-OD1 2.8Å; R157-D161 IonicContact NE-OD1 2.78Å; R157-D161 PolarHBondContact NE-OD1 3.5Å; R157-D161 IonicContact NH2-OD1 3.67Å; R157-D161 PolarHBondContact O-N 3.46Å
158Q83.2Confident83.1Confident54 Ų5454.7 Ų54.725%0.25228%0.28SS..Hα-helixtrans-48.3-36.8178.9-86.2165.221.700113.8M154 Y156 A162M154-Q158 VanDerWaalsContact O-CG 3.29Å; M154-Q158 WeakPolarHBondContact O-CG 3.41Å; M154-Q158 PolarHBondContact O-N 2.95Å; Y156-Q158 VanDerWaalsContact C-N 3.33Å; Y156-Q158 PolarHBondContact O-N 3.44Å; Q158-A162 WeakPolarHBondContact O-CB 3.4Å; Q158-A162 PolarHBondContact O-N 2.93Å
159H81.1Confident81.6Confident19 Ų1955.6 Ų55.69%0.08828%0.283CS..Hα-helixtrans-68.3-40.5177.983.3-85.3000112.2P132 E135 Y156 R157 A162 E163P132-H159 HydrophobicContact CG-CB 4.34Å; E135-H159 IonicContact OE2-CE1 3.68Å; E135-H159 IonicContact OE2-NE2 2.86Å; E135-H159 PolarHBondContact OE2-NE2 3.06Å; Y156-H159 PolarHBondContact O-CE1 2.9Å; Y156-H159 PolarHBondContact O-ND1 3.14Å; R157-H159 PolarHBondContact O-N 3.48Å; H159-A162 WeakPolarHBondContact O-CB 3.47Å; H159-A162 PolarHBondContact O-N 2.73Å; H159-E163 WeakPolarHBondContact O-CB 3.2Å; H159-E163 WeakPolarHBondContact O-CG 3.03Å; H159-E163 PolarHBondContact O-N 3.12Å
160R83.8Confident80Confident75 Ų7558 Ų5828%0.28330%0.295SS..Hα-helixtrans-69.6-41.3176.5-66.5179.368.4174.214111.7E145 R157 A162 E163 E164E145-R160 IonicContact OE1-CZ 3.89Å; E145-R160 IonicContact OE1-NH1 3.24Å; E145-R160 PolarHBondContact OE1-NH1 3.18Å; R157-R160 HydrophobicContact CG-CB 4.49Å; R157-R160 WeakPolarHBondContact O-CA 3.37Å; R157-R160 PolarHBondContact O-N 3.36Å; R160-A162 VanDerWaalsContact C-N 3.25Å; R160-A162 PolarHBondContact O-N 3.27Å; R160-E163 PolarHBondContact O-N 3.41Å; R160-E164 WeakPolarHBondContact O-CB 3.37Å; R160-E164 PolarHBondContact O-N 3.42Å
161D82.2Confident77.9Confident59 Ų5957 Ų5732%0.31629%0.287SS..Hα-helixtrans-64.7-36.5175.9-63.1-23.4000110R157 A165R157-D161 IonicContact CZ-OD1 2.8Å; R157-D161 IonicContact NE-OD1 2.78Å; R157-D161 PolarHBondContact NE-OD1 3.5Å; R157-D161 IonicContact NH2-OD1 3.67Å; R157-D161 PolarHBondContact O-N 3.46Å; D161-A165 WeakPolarHBondContact O-CB 3.46Å; D161-A165 PolarHBondContact O-N 3.13Å
162A75.9Confident75.6Confident9 Ų955.8 Ų55.87%0.07428%0.277CS..Hα-helixtrans-66.6-42.4171.400000112.3Q158 H159 R160 A165 L166 L482Q158-A162 WeakPolarHBondContact O-CB 3.4Å; Q158-A162 PolarHBondContact O-N 2.93Å; H159-A162 WeakPolarHBondContact O-CB 3.47Å; H159-A162 PolarHBondContact O-N 2.73Å; R160-A162 VanDerWaalsContact C-N 3.25Å; R160-A162 PolarHBondContact O-N 3.27Å; A162-A165 WeakPolarHBondContact O-CB 3.33Å; A162-A165 PolarHBondContact O-N 3.24Å; A162-L166 WeakPolarHBondContact O-CB 3.41Å; A162-L166 WeakPolarHBondContact O-CG 3.33Å; A162-L166 PolarHBondContact O-N 3.12Å; A162-L482 HydrophobicContact CB-CD1 3.8Å; A162-L482 HydrophobicContact CB-CD2 3.81Å; A162-L482 HydrophobicContact CB-CG 4.48Å
163E75.3Confident73.2Confident58 Ų5859 Ų5927%0.27129%0.293SS..Hα-helixtrans-64.2-43.7175.2-78.1175.8-177.300112.2H159 R160 L166 D167H159-E163 WeakPolarHBondContact O-CB 3.2Å; H159-E163 WeakPolarHBondContact O-CG 3.03Å; H159-E163 PolarHBondContact O-N 3.12Å; R160-E163 PolarHBondContact O-N 3.41Å; E163-L166 CarbonylContact O-C 3.38Å; E163-L166 WeakPolarHBondContact O-CA 3.47Å; E163-L166 WeakPolarHBondContact O-CB 3.39Å; E163-L166 PolarHBondContact O-N 3.17Å; E163-L166 VanDerWaalsContact O-N 3.08Å; E163-D167 WeakPolarHBondContact O-CB 3.48Å; E163-D167 PolarHBondContact O-N 3.01Å
164E76.5Confident70.7Confident116 Ų11663.1 Ų63.154%0.54232%0.32SS..Hα-helixtrans-62.7-44.2175.3-175.9171.5-174.900110.8R160 L166 D167 I168R160-E164 WeakPolarHBondContact O-CB 3.37Å; R160-E164 PolarHBondContact O-N 3.42Å; E164-L166 PolarHBondContact O-N 3.27Å; E164-D167 PolarHBondContact O-N 3.37Å; E164-I168 VanDerWaalsContact O-CG1 3.3Å; E164-I168 WeakPolarHBondContact O-CG1 3.47Å; E164-I168 PolarHBondContact O-N 2.88Å
165A70.4Confident68.1Low3 Ų360.6 Ų60.63%0.02531%0.308CS..Hα-helixtrans-56.7-39.6171.400000112.2D161 A162 F169 Y479 L482D161-A165 WeakPolarHBondContact O-CB 3.46Å; D161-A165 PolarHBondContact O-N 3.13Å; A162-A165 WeakPolarHBondContact O-CB 3.33Å; A162-A165 PolarHBondContact O-N 3.24Å; A165-F169 WeakPolarHBondContact O-CD2 3.34Å; A165-F169 WeakPolarHBondContact O-CE2 3.34Å; A165-Y479 HydrophobicContact CB-CD1 3.67Å; A165-Y479 HydrophobicContact CB-CE1 3.15Å; A165-L482 HydrophobicContact CB-CD1 4.02Å
166L71.3Confident65.5Low10 Ų1060 Ų605%0.05231%0.314CS..Hα-helixtrans-73.7-32.9179.1-80.9-176.1000113A162 E163 E164 F169 E170 L482 K486 F576A162-L166 WeakPolarHBondContact O-CB 3.41Å; A162-L166 WeakPolarHBondContact O-CG 3.33Å; A162-L166 PolarHBondContact O-N 3.12Å; E163-L166 CarbonylContact O-C 3.38Å; E163-L166 WeakPolarHBondContact O-CA 3.47Å; E163-L166 WeakPolarHBondContact O-CB 3.39Å; E163-L166 PolarHBondContact O-N 3.17Å; E163-L166 VanDerWaalsContact O-N 3.08Å; E164-L166 PolarHBondContact O-N 3.27Å; L166-F169 HydrophobicContact CD2-CD2 4.25Å; L166-F169 WeakPolarHBondContact O-CB 3.47Å; L166-F169 PolarHBondContact O-N 3.43Å; L166-E170 PolarHBondContact O-N 3.05Å; L166-L482 HydrophobicContact CD1-CD2 4.34Å; L166-L482 HydrophobicContact CD2-CB 3.71Å; L166-L482 HydrophobicContact CG-CB 4.23Å; L166-K486 HydrophobicContact CB-CD 4.49Å; L166-K486 VanDerWaalsContact CB-CE 3.42Å; L166-K486 VanDerWaalsContact CB-NZ 3.35Å; L166-K486 HydrophobicContact CD1-CD 4.42Å; L166-K486 HydrophobicContact CD1-CG 4.28Å; L166-K486 HydrophobicContact CD2-CD 3.48Å; L166-K486 VanDerWaalsContact CD2-CD 3.48Å; L166-K486 HydrophobicContact CD2-CG 3.66Å; L166-K486 HydrophobicContact CG-CD 4.28Å; L166-K486 PolarHBondContact O-NZ 2.66Å; L166-F576 HydrophobicContact CD1-CE2 4.27Å
167D69.7Low62.6Low79 Ų7962.3 Ų62.342%0.42234%0.339SS..Hα-helixtrans-72.4-32.5174.4-80.2-0.9000111.5E163 E164 F169 E170 T171E163-D167 WeakPolarHBondContact O-CB 3.48Å; E163-D167 PolarHBondContact O-N 3.01Å; E164-D167 PolarHBondContact O-N 3.37Å; D167-F169 PolarHBondContact O-N 3.4Å; D167-E170 PolarHBondContact O-N 3.47Å; D167-T171 PolarHBondContact O-N 2.81Å; D167-T171 VanDerWaalsContact O-N 3.09Å; D167-T171 PolarHBondContact O-OG1 3Å
168I66.3Low60.1Low50 Ų5061.7 Ų61.726%0.25634%0.342SS..Hα-helixtrans-59.5-34.3170.7-70.6166.2000110.9E164 E170 T171 H373E164-I168 VanDerWaalsContact O-CG1 3.3Å; E164-I168 WeakPolarHBondContact O-CG1 3.47Å; E164-I168 PolarHBondContact O-N 2.88Å; I168-E170 VanDerWaalsContact C-N 3.33Å; I168-T171 PolarHBondContact O-OG1 3.24Å; I168-H373 HydrophobicContact CG2-CB 4.19Å; I168-H373 WeakPolarHBondContact CG2-ND1 3.22Å; I168-H373 PolarHBondContact O-CE1 3.37Å
169F62.9Low58Low27 Ų2764.4 Ų64.412%0.11836%0.364CS..THydrogen-bonded Turntrans-74.7-21174-67.5-62000113.7A165 L166 D167 V370 H373 Y479 A483A165-F169 WeakPolarHBondContact O-CD2 3.34Å; A165-F169 WeakPolarHBondContact O-CE2 3.34Å; L166-F169 HydrophobicContact CD2-CD2 4.25Å; L166-F169 WeakPolarHBondContact O-CB 3.47Å; L166-F169 PolarHBondContact O-N 3.43Å; D167-F169 PolarHBondContact O-N 3.4Å; F169-V370 HydrophobicContact CE1-CB 4.31Å; F169-V370 HydrophobicContact CE1-CG2 3.94Å; F169-V370 HydrophobicContact CZ-CB 4.47Å; F169-V370 HydrophobicContact CZ-CG1 4.2Å; F169-V370 HydrophobicContact CZ-CG2 4.22Å; F169-H373 HydrophobicContact CD1-CB 4.31Å; F169-H373 AromaticContact CD1-CD2 3.59Å; F169-H373 HydrophobicContact CE1-CB 3.6Å; F169-H373 AromaticContact CE1-CD2 3.57Å; F169-H373 AromaticContact CE1-CG 3.78Å; F169-H373 HydrophobicContact CZ-CB 4.07Å; F169-Y479 HydrophobicContact CE2-CD1 4.02Å; F169-Y479 HydrophobicContact CZ-CD1 4.18Å; F169-A483 HydrophobicContact CE2-CB 4.35Å; F169-A483 HydrophobicContact CZ-CB 4.42Å
170E61.3Low55.8Low104 Ų10466.1 Ų66.149%0.48639%0.387SS..THydrogen-bonded Turntrans-89-13.1178-72.2-178-168.700113.2L166 D167 I168 D173 K486L166-E170 PolarHBondContact O-N 3.05Å; D167-E170 PolarHBondContact O-N 3.47Å; I168-E170 VanDerWaalsContact C-N 3.33Å; E170-D173 PolarHBondContact O-N 3.02Å; E170-K486 IonicContact OE1-NZ 3.87Å; E170-K486 PolarHBondContact OE1-NZ 2.86Å
171T50.3Low53.8Low85 Ų8566.2 Ų66.252%0.52139%0.393SS..THydrogen-bonded Turntrans-107.679.6179.144.40000110.5D167 I168D167-T171 PolarHBondContact O-N 2.81Å; D167-T171 VanDerWaalsContact O-N 3.09Å; D167-T171 PolarHBondContact O-OG1 3Å; I168-T171 PolarHBondContact O-OG1 3.24Å
172P43.9Very low52Low66 Ų6667.1 Ų67.143%0.42940%0.398SS..THydrogen-bonded Turn-140.768.58333.9-14.9000112.8
173D42.4Very low50.5Low87 Ų8774.2 Ų74.247%0.46543%0.429SS..  trans-136.746.3170.3-73.9-49.2000111.8E170 I175 G176E170-D173 PolarHBondContact O-N 3.02Å; D173-I175 PolarHBondContact O-N 3.35Å; D173-G176 PolarHBondContact O-N 2.96Å
174L37.4Very low48.9Very low159 Ų15978.1 Ų78.183%0.83245%0.452SS*.THydrogen-bonded Turntrans-64.37.8166.8-84.5168.3000113.3
175I32.7Very low47.4Very low68 Ų6876 Ų7635%0.34944%0.444SS..THydrogen-bonded Turntrans-138.245.9166.3-39.3170.6000109.9D173 P305 N306 E309D173-I175 PolarHBondContact O-N 3.35Å; I175-P305 HydrophobicContact CB-CG 4.03Å; I175-P305 HydrophobicContact CD1-CB 4.07Å; I175-P305 HydrophobicContact CD1-CG 3.91Å; I175-P305 HydrophobicContact CG2-CB 3.73Å; I175-P305 HydrophobicContact CG2-CG 3.68Å; I175-N306 HydrophobicContact CD1-CB 3.77Å; I175-N306 WeakPolarHBondContact CD1-ND2 3.24Å; I175-E309 WeakPolarHBondContact CD1-OE2 3.16Å
176G31.9Very low46Very low48 Ų4878.3 Ų78.350%0.49546%0.463SS..  trans-11930.3162.300000111D173 D178D173-G176 PolarHBondContact O-N 2.96Å; G176-D178 PolarHBondContact O-N 3.3Å
177G28.9Very low44.6Very low51 Ų5180 Ų8053%0.52648%0.479SS..  trans-50.7127.7170.600000109.4P179G177-P179 WeakPolarHBondContact O-CD 3.06Å; G177-P179 VanDerWaalsContact O-N 3.14Å
178D35.7Very low43.5Very low69 Ų6983 Ų8337%0.36949%0.488SS..  trans-35.3114.4176.4-173.517.2000112G176 G180G176-D178 PolarHBondContact O-N 3.3Å; D178-G180 PolarHBondContact O-N 2.71Å; D178-G180 PolarHBondContact OD1-N 3.1Å
179P37.9Very low42.6Very low111 Ų11189.8 Ų89.872%0.72151%0.51SS*.THydrogen-bonded Turntrans-65.2-0.4173.8-15.928.7000113G177G177-P179 WeakPolarHBondContact O-CD 3.06Å; G177-P179 VanDerWaalsContact O-N 3.14Å
180G35.3Very low41.6Very low55 Ų5594 Ų9457%0.56753%0.534SS*.THydrogen-bonded Turntrans-91.4-27.5-17700000115.9D178D178-G180 PolarHBondContact O-N 2.71Å; D178-G180 PolarHBondContact OD1-N 3.1Å
181D41.8Very low40.3Very low77 Ų7792.9 Ų92.941%0.41255%0.55SS..THydrogen-bonded Turntrans-124.9-14.3-165.8-73.5-1.9000114.2K494D181-K494 IonicContact OD2-NZ 2.74Å; D181-K494 PolarHBondContact OD2-NZ 3.19Å
182D44.3Very low40.2Very low78 Ų7893.9 Ų93.942%0.41755%0.551SS.*SBendtrans-99.5-7.6-172.8-76.2-43.3000115.1D184 L185 A186D182-D184 PolarHBondContact O-N 2.77Å; D182-L185 PolarHBondContact O-N 3.08Å; D182-A186 WeakPolarHBondContact O-CB 3.27Å; D182-A186 PolarHBondContact O-N 3.21Å
183E45.4Very low40.1Very low158 Ų15897 Ų9774%0.73856%0.56SS**Hα-helixtrans-65-38.1176-79.9-166.7114.200111.9A187E183-A187 VanDerWaalsContact O-CB 3.24Å; E183-A187 WeakPolarHBondContact O-CB 3.44Å; E183-A187 PolarHBondContact O-N 2.81Å
184D40.9Very low40.1Very low140 Ų140100.9 Ų100.975%0.74958%0.58SS**Hα-helixtrans-78.4-26.6179.1-77-17.9000113.1D182 K188D182-D184 PolarHBondContact O-N 2.77Å; D184-K188 WeakPolarHBondContact O-CB 3.33Å; D184-K188 PolarHBondContact O-N 3.27Å
185L44.9Very low40.4Very low70 Ų7096.6 Ų96.637%0.36657%0.568SS.*Hα-helixtrans-93.8-29.8-175.5-165.461.7000112.9D182 K188 R189D182-L185 PolarHBondContact O-N 3.08Å; L185-K188 PolarHBondContact O-N 2.93Å; L185-R189 WeakPolarHBondContact O-CB 3.26Å; L185-R189 WeakPolarHBondContact O-CG 3.09Å; L185-R189 PolarHBondContact O-N 3.44Å
186A40.3Very low40.8Very low52 Ų5298.4 Ų98.443%0.4359%0.593SS.*Hα-helixtrans-72.5-35.6170.400000111.5D182 K188 R189 L190D182-A186 WeakPolarHBondContact O-CB 3.27Å; D182-A186 PolarHBondContact O-N 3.21Å; A186-K188 VanDerWaalsContact C-N 3.3Å; A186-R189 PolarHBondContact O-N 2.87Å; A186-L190 PolarHBondContact O-N 3.36Å
187A42.7Very low41.1Very low47 Ų4799.5 Ų99.539%0.38860%0.604SS.*Hα-helixtrans-65.9-30.2170.300000112.7E183E183-A187 VanDerWaalsContact O-CB 3.24Å; E183-A187 WeakPolarHBondContact O-CB 3.44Å; E183-A187 PolarHBondContact O-N 2.81Å
188K45.8Very low41.7Very low142 Ų142104.8 Ų104.862%0.61762%0.62SS**Hα-helixtrans-80.5-27.5174.5-110.4173.2176.11640115.3D184 L185 A186 E193D184-K188 WeakPolarHBondContact O-CB 3.33Å; D184-K188 PolarHBondContact O-N 3.27Å; L185-K188 PolarHBondContact O-N 2.93Å; A186-K188 VanDerWaalsContact C-N 3.3Å; K188-E193 WeakPolarHBondContact CG-OE2 3.17Å
189R48Very low41.5Very low191 Ų191105.9 Ų105.972%0.72165%0.648SS**Hα-helixtrans-89.2-26.4-177.4-78.5-174.1177.8126.40.2114L185 A186L185-R189 WeakPolarHBondContact O-CB 3.26Å; L185-R189 WeakPolarHBondContact O-CG 3.09Å; L185-R189 PolarHBondContact O-N 3.44Å; A186-R189 PolarHBondContact O-N 2.87Å
190L42.4Very low41.6Very low117 Ų117103.2 Ų103.261%0.61364%0.64SS**THydrogen-bonded Turntrans-96.6101.9161-78.9118.4000106.1A186 I192A186-L190 PolarHBondContact O-N 3.36Å; L190-I192 HydrophobicContact CB-CD1 3.99Å; L190-I192 HydrophobicContact CB-CG1 4.26Å; L190-I192 WeakPolarHBondContact O-CG1 3.08Å; L190-I192 PolarHBondContact O-N 3.02Å
191G34.6Very low42Very low80 Ų80107 Ų10783%0.82566%0.655SS**THydrogen-bonded Turntrans-55.272.7-175.300000115.2
192I47.9Very low42.2Very low106 Ų106109.1 Ų109.154%0.54467%0.666SS.*  trans-120.946.5-178.1-50.8169.2000107.1L190 A195L190-I192 HydrophobicContact CB-CD1 3.99Å; L190-I192 HydrophobicContact CB-CG1 4.26Å; L190-I192 WeakPolarHBondContact O-CG1 3.08Å; L190-I192 PolarHBondContact O-N 3.02Å; I192-A195 HydrophobicContact CG2-CB 4.36Å
193E41.8Very low42.5Very low130 Ų130108.6 Ų108.661%0.60768%0.679SS**SBendtrans-103.3-4.7166.2-71.9-173.5107.600112.4K188K188-E193 WeakPolarHBondContact CG-OE2 3.17Å
194D41.4Very low42.9Very low169 Ų169109.1 Ų109.190%0.90468%0.679SS**SBendtrans-107.27.9177.2-67.5-35.3000115.1
195A43.3Very low43.8Very low69 Ų69105.6 Ų105.657%0.5767%0.665SS**  trans-108.71.5-178.400000115I192 G197I192-A195 HydrophobicContact CG2-CB 4.36Å; A195-G197 PolarHBondContact O-N 2.71Å; A195-G197 VanDerWaalsContact O-N 3.14Å
196A42.3Very low45Very low107 Ų107103.9 Ų103.988%0.88466%0.664SS**THydrogen-bonded Turntrans-7810.5-178.300000114.6
197G37.2Very low46.8Very low70 Ų70110.7 Ų110.772%0.72268%0.679SS**THydrogen-bonded Turntrans-106.8-2.9-174.400000117.2A195A195-G197 PolarHBondContact O-N 2.71Å; A195-G197 VanDerWaalsContact O-N 3.14Å
198L40.9Very low48.6Very low162 Ų162115.2 Ų115.285%0.84869%0.686SS**SBendtrans-126109176.9-80.999.7000111.6G200L198-G200 PolarHBondContact O-N 2.06Å
199G32.8Very low50.2Low93 Ų93117.5 Ų117.596%0.95969%0.691SS**  trans-62.19317200000111.8
200G40.6Very low51.8Low55 Ų55117.2 Ų117.257%0.56769%0.69SS**  trans-98.7145.7164.200000110.7L198 D202L198-G200 PolarHBondContact O-N 2.06Å; G200-D202 VanDerWaalsContact C-N 3.26Å; G200-D202 PolarHBondContact O-N 2.98Å
201P42.3Very low53.9Low135 Ų135115 Ų11588%0.87768%0.679SS**SBendtrans-76.473.3-174.533.4-34.9000111.3
202D47Very low56.5Low121 Ų121114.3 Ų114.365%0.64765%0.654SS**  trans-129.242.7172.7-93-28.5000112.1G200 K204 S205G200-D202 VanDerWaalsContact C-N 3.26Å; G200-D202 PolarHBondContact O-N 2.98Å; D202-K204 PolarHBondContact O-N 3.39Å; D202-S205 PolarHBondContact O-N 3.04Å; D202-S205 PolarHBondContact O-OG 3.45Å
203G49.9Very low58.4Low67 Ų67112.9 Ų112.969%0.69165%0.651SS**Hα-helixtrans-60.6-12172.700000114.7
204K54.2Low60.6Low169 Ų169115.4 Ų115.474%0.73566%0.655SS**Hα-helixtrans-78.9-38.6177-68.7-179.5-179.1174.60112.4D202 G206 R207 W208D202-K204 PolarHBondContact O-N 3.39Å; K204-G206 VanDerWaalsContact C-N 3.33Å; K204-G206 PolarHBondContact O-N 3.13Å; K204-R207 PolarHBondContact O-N 3.4Å; K204-W208 PolarHBondContact O-N 3.11Å; K204-W208 VanDerWaalsContact O-N 3.11Å
205S59Low62.9Low65 Ų65109.5 Ų109.546%0.45562%0.623SS.*Hα-helixtrans-66.7-37-177.667.20000111.4D202 R209D202-S205 PolarHBondContact O-N 3.04Å; D202-S205 PolarHBondContact O-OG 3.45Å; S205-R209 WeakPolarHBondContact O-CG 3.24Å; S205-R209 PolarHBondContact O-N 2.87Å
206G69.8Low65.1Low34 Ų34108.3 Ų108.335%0.35160%0.603SS.*Hα-helixtrans-65.7-37.5175.200000113.8K204 R210K204-G206 VanDerWaalsContact C-N 3.33Å; K204-G206 PolarHBondContact O-N 3.13Å; G206-R210 WeakPolarHBondContact O-CG 3.31Å; G206-R210 PolarHBondContact O-N 3.3Å
207R78.3Confident67.2Low196 Ų196104.8 Ų104.874%0.7458%0.575SS**Hα-helixtrans-72.3-42.2178.2-164.2-176.2-64.3-168.20.1111.6K204 R210 L211K204-R207 PolarHBondContact O-N 3.4Å; R207-R210 PolarHBondContact O-N 3.35Å; R207-L211 VanDerWaalsContact O-CB 3.28Å; R207-L211 WeakPolarHBondContact O-CB 3.39Å; R207-L211 PolarHBondContact O-N 2.91Å
208W80.5Confident69.6Low142 Ų142103 Ų10354%0.53855%0.548SS..Hα-helixtrans-62-44.9176.3-89.595.2000112.1K204 R210 L211 Q212 V302 F303K204-W208 PolarHBondContact O-N 3.11Å; K204-W208 VanDerWaalsContact O-N 3.11Å; W208-R210 VanDerWaalsContact C-N 3.26Å; W208-R210 PolarHBondContact O-N 3.45Å; W208-L211 PolarHBondContact O-N 3.05Å; W208-Q212 VanDerWaalsContact O-CB 3.26Å; W208-Q212 WeakPolarHBondContact O-CB 3.3Å; W208-Q212 PolarHBondContact O-N 3.3Å; W208-V302 HydrophobicContact CH2-CG1 4.2Å; W208-V302 HydrophobicContact CZ3-CG1 4.09Å; W208-F303 HydrophobicContact CE3-CE1 4Å; W208-F303 HydrophobicContact CH2-CE1 4.18Å; W208-F303 HydrophobicContact CH2-CZ 4.43Å; W208-F303 HydrophobicContact CZ3-CD1 4.08Å; W208-F303 AromaticContact CZ3-CE1 3.44Å; W208-F303 HydrophobicContact CZ3-CE1 3.44Å; W208-F303 VanDerWaalsContact CZ3-CE1 3.44Å; W208-F303 HydrophobicContact CZ3-CZ 4.11Å
209R79.8Confident71.9Confident190 Ų19096 Ų9672%0.71751%0.511SS*.Hα-helixtrans-60.3-33.6176-77.1-173.5-179.9-144.32.7113.3S205 P213S205-R209 WeakPolarHBondContact O-CG 3.24Å; S205-R209 PolarHBondContact O-N 2.87Å; R209-P213 WeakPolarHBondContact O-CD 3.3Å
210R82.3Confident74.3Confident184 Ų18493.7 Ų93.769%0.69448%0.475SS*.Hα-helixtrans-79.1-34.5175.2-68177.5-170.7-157.12.5113.2G206 R207 W208 R214G206-R210 WeakPolarHBondContact O-CG 3.31Å; G206-R210 PolarHBondContact O-N 3.3Å; R207-R210 PolarHBondContact O-N 3.35Å; W208-R210 VanDerWaalsContact C-N 3.26Å; W208-R210 PolarHBondContact O-N 3.45Å; R210-R214 WeakPolarHBondContact O-CD 3.18Å; R210-R214 WeakPolarHBondContact O-CG 3.48Å
211L85.9Confident76Confident72 Ų7294.3 Ų94.338%0.37747%0.466SS..Hα-helixtrans-78.4-36.2-177.4-174.764.8000112R207 W208 R214 M215 F303R207-L211 VanDerWaalsContact O-CB 3.28Å; R207-L211 WeakPolarHBondContact O-CB 3.39Å; R207-L211 PolarHBondContact O-N 2.91Å; W208-L211 PolarHBondContact O-N 3.05Å; L211-R214 PolarHBondContact O-N 3.29Å; L211-M215 HydrophobicContact CD1-CG 3.55Å; L211-M215 HydrophobicContact CD1-SD 4.11Å; L211-M215 HydrophobicContact CD2-CG 4.39Å; L211-M215 HydrophobicContact CG-CG 3.63Å; L211-M215 WeakPolarHBondContact O-CB 3.42Å; L211-M215 WeakPolarHBondContact O-CG 3.49Å; L211-M215 PolarHBondContact O-N 2.85Å; L211-F303 HydrophobicContact CD2-CE1 4.28Å; L211-F303 HydrophobicContact CD2-CZ 4.44Å; L211-F303 HydrophobicContact CG-CE1 4.35Å
212Q88.9Confident77.9Confident65 Ų6588.9 Ų88.930%0.30443%0.43SS..Hα-helixtrans-53.3-57.8-176.7-178.6-176.6-0.300113.9W208 R214 M215 W216 F303 S304W208-Q212 VanDerWaalsContact O-CB 3.26Å; W208-Q212 WeakPolarHBondContact O-CB 3.3Å; W208-Q212 PolarHBondContact O-N 3.3Å; Q212-R214 VanDerWaalsContact C-N 3.28Å; Q212-R214 PolarHBondContact O-N 3.19Å; Q212-M215 PolarHBondContact O-N 3.3Å; Q212-W216 VanDerWaalsContact O-CB 3.29Å; Q212-W216 WeakPolarHBondContact O-CB 3.1Å; Q212-W216 PolarHBondContact O-N 3.33Å; Q212-F303 HydrophobicContact CB-CD1 4.38Å; Q212-F303 HydrophobicContact CG-CD1 4.5Å; Q212-F303 VanDerWaalsContact CG-O 3.24Å; Q212-F303 WeakPolarHBondContact CG-O 3.41Å; Q212-S304 PolarHBondContact NE2-O 2.96Å
213P88.4Confident79.3Confident76 Ų7689.3 Ų89.349%0.49442%0.424SS..Hα-helixtrans-65.5-32.7-179.525.7-34.4000112.3R209 A217R209-P213 WeakPolarHBondContact O-CD 3.3Å; P213-A217 VanDerWaalsContact O-CB 3.28Å; P213-A217 WeakPolarHBondContact O-CB 3.02Å; P213-A217 PolarHBondContact O-N 3.43Å
214R87.6Confident80.7Confident183 Ų18388.5 Ų88.569%0.69141%0.408SS*.Hα-helixtrans-67.5-46.1178-69.3-179.7177.5-179.5-2.8112.1R210 L211 Q212 L218R210-R214 WeakPolarHBondContact O-CD 3.18Å; R210-R214 WeakPolarHBondContact O-CG 3.48Å; L211-R214 PolarHBondContact O-N 3.29Å; Q212-R214 VanDerWaalsContact C-N 3.28Å; Q212-R214 PolarHBondContact O-N 3.19Å; R214-L218 VanDerWaalsContact O-CB 3.31Å; R214-L218 WeakPolarHBondContact O-CB 3.16Å; R214-L218 PolarHBondContact O-N 2.7Å
215M90.1Very high82.2Confident44 Ų4482.6 Ų82.622%0.21739%0.388CS..Hα-helixtrans-70.5-38.1178.5-71.1-59.3-61.100111.9L211 Q212 L218 F219 V299 F303L211-M215 HydrophobicContact CD1-CG 3.55Å; L211-M215 HydrophobicContact CD1-SD 4.11Å; L211-M215 HydrophobicContact CD2-CG 4.39Å; L211-M215 HydrophobicContact CG-CG 3.63Å; L211-M215 WeakPolarHBondContact O-CB 3.42Å; L211-M215 WeakPolarHBondContact O-CG 3.49Å; L211-M215 PolarHBondContact O-N 2.85Å; Q212-M215 PolarHBondContact O-N 3.3Å; M215-L218 HydrophobicContact CE-CD2 4.3Å; M215-L218 WeakPolarHBondContact O-CB 3.42Å; M215-L218 PolarHBondContact O-N 3.39Å; M215-L218 HydrophobicContact SD-CD2 4.12Å; M215-F219 HydrophobicContact CE-CD2 4.35Å; M215-F219 HydrophobicContact CE-CE2 3.85Å; M215-F219 PolarHBondContact O-N 2.95Å; M215-V299 HydrophobicContact CE-CG1 4.2Å; M215-F303 HydrophobicContact CB-CB 4.2Å; M215-F303 HydrophobicContact CB-CD1 3.94Å; M215-F303 HydrophobicContact CB-CD2 3.66Å; M215-F303 HydrophobicContact CB-CE1 4.18Å; M215-F303 HydrophobicContact CB-CE2 3.96Å; M215-F303 HydrophobicContact CB-CG 3.65Å; M215-F303 HydrophobicContact CB-CZ 4.2Å; M215-F303 HydrophobicContact CE-CE2 4.24Å; M215-F303 HydrophobicContact CG-CD1 4.43Å; M215-F303 HydrophobicContact CG-CD2 4.35Å; M215-F303 HydrophobicContact CG-CE1 4.18Å; M215-F303 HydrophobicContact CG-CE2 4.14Å; M215-F303 HydrophobicContact CG-CG 4.5Å; M215-F303 HydrophobicContact CG-CZ 4.04Å
216W89.6Confident83.5Confident44 Ų4490.2 Ų90.217%0.16741%0.406CS..Hα-helixtrans-59.4-52.6173178.4-106.7000111.3Q212 L218 F219 E220 R300 F303 S304 F310Q212-W216 VanDerWaalsContact O-CB 3.29Å; Q212-W216 WeakPolarHBondContact O-CB 3.1Å; Q212-W216 PolarHBondContact O-N 3.33Å; W216-L218 PolarHBondContact O-N 3.14Å; W216-F219 PolarHBondContact O-N 3.39Å; W216-E220 HydrophobicContact CD2-CB 4.42Å; W216-E220 HydrophobicContact CH2-CG 4.38Å; W216-E220 HydrophobicContact CZ2-CB 4.34Å; W216-E220 HydrophobicContact CZ2-CG 3.89Å; W216-E220 VanDerWaalsContact O-CB 3.29Å; W216-E220 WeakPolarHBondContact O-CB 3.3Å; W216-E220 PolarHBondContact O-N 3.43Å; W216-R300 HydrophobicContact CZ3-CB 4.16Å; W216-R300 VanDerWaalsContact CZ3-O 3.26Å; W216-R300 WeakPolarHBondContact CZ3-O 3.47Å; W216-F303 HydrophobicContact CB-CB 4.36Å; W216-S304 VanDerWaalsContact CZ3-CB 3.43Å; W216-F310 AromaticContact CH2-CD2 3.74Å; W216-F310 HydrophobicContact CH2-CD2 3.74Å; W216-F310 HydrophobicContact CH2-CE2 4.02Å; W216-F310 AromaticContact CZ3-CD2 3.96Å; W216-F310 HydrophobicContact CZ3-CD2 3.96Å; W216-F310 HydrophobicContact CZ3-CE2 4.01Å
217A86Confident84.5Confident34 Ų3491.1 Ų91.128%0.28141%0.41SS..Hα-helixtrans-60.8-33178.200000112.9P213 D221 S224P213-A217 VanDerWaalsContact O-CB 3.28Å; P213-A217 WeakPolarHBondContact O-CB 3.02Å; P213-A217 PolarHBondContact O-N 3.43Å; A217-D221 PolarHBondContact O-N 3.11Å; A217-D221 VanDerWaalsContact O-N 3.14Å; A217-D221 VanDerWaalsContact O-O 3.05Å; A217-S224 WeakPolarHBondContact O-CB 3.41Å; A217-S224 PolarHBondContact O-OG 3.19Å
218L88.6Confident85Confident32 Ų3281.8 Ų81.817%0.16838%0.376CS..Hα-helixtrans-65.6-34.7179-177.368.7000113.4R214 M215 W216 A227 A228 I231R214-L218 VanDerWaalsContact O-CB 3.31Å; R214-L218 WeakPolarHBondContact O-CB 3.16Å; R214-L218 PolarHBondContact O-N 2.7Å; M215-L218 HydrophobicContact CE-CD2 4.3Å; M215-L218 WeakPolarHBondContact O-CB 3.42Å; M215-L218 PolarHBondContact O-N 3.39Å; M215-L218 HydrophobicContact SD-CD2 4.12Å; W216-L218 PolarHBondContact O-N 3.14Å; L218-A227 HydrophobicContact CD1-CB 3.65Å; L218-A228 HydrophobicContact CD1-CB 3.99Å; L218-A228 VanDerWaalsContact CD1-N 3.34Å; L218-A228 WeakPolarHBondContact O-CB 3.27Å; L218-I231 HydrophobicContact CD1-CD1 3.81Å; L218-I231 HydrophobicContact CD2-CD1 3.66Å; L218-I231 HydrophobicContact CG-CD1 3.5Å; L218-I231 VanDerWaalsContact CG-CD1 3.5Å
219F88.3Confident85.3Confident15 Ų1582.2 Ų82.27%0.06638%0.377CS..Hα-helixtrans-102.7-20-176.5-82.3-99.8000114.4M215 W216 I231 F295 E296 V299 R300M215-F219 HydrophobicContact CE-CD2 4.35Å; M215-F219 HydrophobicContact CE-CE2 3.85Å; M215-F219 PolarHBondContact O-N 2.95Å; W216-F219 PolarHBondContact O-N 3.39Å; F219-I231 HydrophobicContact CD1-CG2 4.05Å; F219-I231 HydrophobicContact CE1-CG2 3.93Å; F219-I231 HydrophobicContact CE2-CD1 3.98Å; F219-I231 HydrophobicContact CZ-CD1 4.12Å; F219-I231 HydrophobicContact CZ-CG2 4.34Å; F219-F295 HydrophobicContact CE1-CD1 4.49Å; F219-F295 AromaticContact CE1-CE1 3.93Å; F219-F295 HydrophobicContact CE1-CE1 3.93Å; F219-F295 AromaticContact CZ-CE1 3.74Å; F219-F295 HydrophobicContact CZ-CE1 3.74Å; F219-F295 HydrophobicContact CZ-CZ 4.1Å; F219-E296 HydrophobicContact CD1-CG 4.32Å; F219-E296 HydrophobicContact CE1-CG 4.15Å; F219-V299 HydrophobicContact CD1-CB 4.48Å; F219-V299 HydrophobicContact CD1-CG1 4.18Å; F219-V299 HydrophobicContact CD2-CG1 3.56Å; F219-V299 HydrophobicContact CE1-CB 4.38Å; F219-V299 HydrophobicContact CE1-CG1 4.22Å; F219-V299 HydrophobicContact CE2-CG1 3.63Å; F219-V299 HydrophobicContact CG-CG1 3.85Å; F219-V299 HydrophobicContact CZ-CB 4.42Å; F219-V299 HydrophobicContact CZ-CG1 3.96Å; F219-V299 HydrophobicContact CZ-CG2 4.42Å; F219-R300 HydrophobicContact CB-CG 4.04Å; F219-R300 PolarHBondContact O-NE 2.86Å; F219-R300 VanDerWaalsContact O-NE 3.15Å; F219-R300 PolarHBondContact O-NH2 2.98Å
220E83.5Confident85.9Confident44 Ų4480.1 Ų80.121%0.20637%0.373CS..Hα-helixtrans-96.3-44.1-179.6-164.663.9-162.800112.2W216 P222 R300 R363W216-E220 HydrophobicContact CD2-CB 4.42Å; W216-E220 HydrophobicContact CH2-CG 4.38Å; W216-E220 HydrophobicContact CZ2-CB 4.34Å; W216-E220 HydrophobicContact CZ2-CG 3.89Å; W216-E220 VanDerWaalsContact O-CB 3.29Å; W216-E220 WeakPolarHBondContact O-CB 3.3Å; W216-E220 PolarHBondContact O-N 3.43Å; E220-P222 WeakPolarHBondContact O-CD 3.39Å; E220-R300 IonicContact OE2-NE 2.73Å; E220-R363 IonicContact OE1-NH1 3.27Å; E220-R363 PolarHBondContact OE1-NH1 3.37Å; E220-R363 VanDerWaalsContact OE1-NH1 3.16Å; E220-R363 IonicContact OE2-NH1 3.05Å; E220-R363 PolarHBondContact OE2-NH1 3.19Å; E220-R363 VanDerWaalsContact OE2-NH1 3.09Å
221D76.5Confident86.3Confident69 Ų6972.6 Ų72.637%0.36935%0.347SS..  trans-107106-178.5177.814.6000111.5A217 Y223 S224 A228A217-D221 PolarHBondContact O-N 3.11Å; A217-D221 VanDerWaalsContact O-N 3.14Å; A217-D221 VanDerWaalsContact O-O 3.05Å; D221-Y223 PolarHBondContact O-N 3.23Å; D221-Y223 VanDerWaalsContact O-N 3.11Å; D221-Y223 WeakPolarHBondContact OD1-CB 3.29Å; D221-Y223 PolarHBondContact OD1-N 2.89Å; D221-S224 WeakPolarHBondContact O-CB 3.46Å; D221-S224 PolarHBondContact O-N 2.94Å; D221-S224 VanDerWaalsContact O-N 3.15Å; D221-S224 PolarHBondContact O-OG 3.09Å; D221-S224 PolarHBondContact OD2-N 2.84Å; D221-A228 WeakPolarHBondContact O-CB 3.18Å
222P81Confident86.4Confident21 Ų2169.7 Ų69.714%0.13633%0.333CS..THydrogen-bonded Turntrans-63.7-18.3179.527.4-34.7000113E220 R229 A232E220-P222 WeakPolarHBondContact O-CD 3.39Å; P222-R229 WeakPolarHBondContact O-CG 3.28Å; P222-R229 PolarHBondContact O-N 2.75Å; P222-A232 HydrophobicContact CB-CB 3.73Å
223Y77Confident86.4Confident129 Ų12973.1 Ų73.151%0.50635%0.348SS..THydrogen-bonded Turntrans-93.2-6.5-179.5-58.9-79.7000113.6D221 S225 V366D221-Y223 PolarHBondContact O-N 3.23Å; D221-Y223 VanDerWaalsContact O-N 3.11Å; D221-Y223 WeakPolarHBondContact OD1-CB 3.29Å; D221-Y223 PolarHBondContact OD1-N 2.89Å; Y223-S225 VanDerWaalsContact C-N 3.31Å; Y223-S225 PolarHBondContact O-N 2.93Å; Y223-V366 HydrophobicContact CE2-CG2 3.87Å
224S78.4Confident86.6Confident50 Ų5070.2 Ų70.235%0.3533%0.33SS..SBendtrans-61.7-36.5-175.466.60000113.3A217 D221 A228A217-S224 WeakPolarHBondContact O-CB 3.41Å; A217-S224 PolarHBondContact O-OG 3.19Å; D221-S224 WeakPolarHBondContact O-CB 3.46Å; D221-S224 PolarHBondContact O-N 2.94Å; D221-S224 VanDerWaalsContact O-N 3.15Å; D221-S224 PolarHBondContact O-OG 3.09Å; D221-S224 PolarHBondContact OD2-N 2.84Å; S224-A228 WeakPolarHBondContact OG-CB 3.5Å
225S86Confident86.7Confident45 Ų4561.5 Ų61.532%0.31530%0.297SS..  trans-156.3166.7-17968.40000112.3Y223 A227 A228 R229Y223-S225 VanDerWaalsContact C-N 3.31Å; Y223-S225 PolarHBondContact O-N 2.93Å; S225-A227 PolarHBondContact O-N 3.5Å; S225-A227 PolarHBondContact OG-N 2.92Å; S225-A228 WeakPolarHBondContact O-CB 3.26Å; S225-A228 PolarHBondContact O-N 3.32Å; S225-A228 WeakPolarHBondContact OG-CB 3.29Å; S225-A228 PolarHBondContact OG-N 3.33Å; S225-R229 PolarHBondContact O-N 2.69Å; S225-R229 VanDerWaalsContact O-N 3.14Å
226R87.6Confident86.7Confident225 Ų22561.2 Ų61.285%0.84930%0.296SS*.Hα-helixtrans-60.1-35.2171.3-66.6-176.7-177.5174.20.3112R229 F230R226-R229 PolarHBondContact O-N 2.83Å; R226-F230 PolarHBondContact O-N 3.32Å
227A91.2Very high86.9Confident53 Ų5364.6 Ų64.644%0.43831%0.312SS..Hα-helixtrans-67.7-38.1175.800000111.8L218 S225 R229 F230 I231L218-A227 HydrophobicContact CD1-CB 3.65Å; S225-A227 PolarHBondContact O-N 3.5Å; S225-A227 PolarHBondContact OG-N 2.92Å; A227-R229 VanDerWaalsContact C-N 3.33Å; A227-R229 PolarHBondContact O-N 2.91Å; A227-F230 WeakPolarHBondContact O-CB 3.49Å; A227-F230 PolarHBondContact O-N 2.98Å; A227-F230 VanDerWaalsContact O-N 3.15Å; A227-I231 PolarHBondContact O-N 3.44Å
228A88Confident87.2Confident1 Ų165 Ų651%0.00831%0.307CS..Hα-helixtrans-62.4-40.9175.500000111.6L218 D221 S224 S225 F230 I231 A232L218-A228 HydrophobicContact CD1-CB 3.99Å; L218-A228 VanDerWaalsContact CD1-N 3.34Å; L218-A228 WeakPolarHBondContact O-CB 3.27Å; D221-A228 WeakPolarHBondContact O-CB 3.18Å; S224-A228 WeakPolarHBondContact OG-CB 3.5Å; S225-A228 WeakPolarHBondContact O-CB 3.26Å; S225-A228 PolarHBondContact O-N 3.32Å; S225-A228 WeakPolarHBondContact OG-CB 3.29Å; S225-A228 PolarHBondContact OG-N 3.33Å; A228-F230 VanDerWaalsContact C-N 3.31Å; A228-F230 PolarHBondContact O-N 3.36Å; A228-I231 PolarHBondContact O-N 2.96Å; A228-A232 VanDerWaalsContact O-CB 3.31Å; A228-A232 WeakPolarHBondContact O-CB 3.28Å; A228-A232 PolarHBondContact O-N 3.21Å
229R87.4Confident87.4Confident150 Ų15063.5 Ų63.557%0.56630%0.3SS*.Hα-helixtrans-60.2-40.5173.3-66.2-177.2-168.9171.52.4112.5P222 S225 R226 A227 A232 F233P222-R229 WeakPolarHBondContact O-CG 3.28Å; P222-R229 PolarHBondContact O-N 2.75Å; S225-R229 PolarHBondContact O-N 2.69Å; S225-R229 VanDerWaalsContact O-N 3.14Å; R226-R229 PolarHBondContact O-N 2.83Å; A227-R229 VanDerWaalsContact C-N 3.33Å; A227-R229 PolarHBondContact O-N 2.91Å; R229-A232 PolarHBondContact O-N 3.46Å; R229-F233 WeakPolarHBondContact O-CB 3.18Å; R229-F233 PolarHBondContact O-N 3.44Å
230F91.5Very high87.5Confident146 Ų14667.1 Ų67.164%0.6432%0.319SS*.Hα-helixtrans-66.2-45177-179.1-94.7000111.8R226 A227 A228 A232 F233 A234R226-F230 PolarHBondContact O-N 3.32Å; A227-F230 WeakPolarHBondContact O-CB 3.49Å; A227-F230 PolarHBondContact O-N 2.98Å; A227-F230 VanDerWaalsContact O-N 3.15Å; A228-F230 VanDerWaalsContact C-N 3.31Å; A228-F230 PolarHBondContact O-N 3.36Å; F230-A232 VanDerWaalsContact C-N 3.33Å; F230-A232 PolarHBondContact O-N 2.87Å; F230-F233 PolarHBondContact O-N 2.89Å; F230-A234 PolarHBondContact O-N 2.91Å
231I90.8Very high88Confident26 Ų2667 Ų6713%0.13332%0.321CS..Hα-helixtrans-62.3-42.3176.1-70.8164.8000110.7L218 F219 A227 A228 F233 A234 S235L218-I231 HydrophobicContact CD1-CD1 3.81Å; L218-I231 HydrophobicContact CD2-CD1 3.66Å; L218-I231 HydrophobicContact CG-CD1 3.5Å; L218-I231 VanDerWaalsContact CG-CD1 3.5Å; F219-I231 HydrophobicContact CD1-CG2 4.05Å; F219-I231 HydrophobicContact CE1-CG2 3.93Å; F219-I231 HydrophobicContact CE2-CD1 3.98Å; F219-I231 HydrophobicContact CZ-CD1 4.12Å; F219-I231 HydrophobicContact CZ-CG2 4.34Å; A227-I231 PolarHBondContact O-N 3.44Å; A228-I231 PolarHBondContact O-N 2.96Å; I231-F233 VanDerWaalsContact C-N 3.33Å; I231-F233 PolarHBondContact O-N 3.47Å; I231-A234 PolarHBondContact O-N 3.07Å; I231-S235 WeakPolarHBondContact O-CB 3.08Å; I231-S235 PolarHBondContact O-N 2.72Å; I231-S235 PolarHBondContact O-OG 3.43Å
232A87.8Confident88.7Confident12 Ų1263.7 Ų63.710%0.09930%0.304CS..Hα-helixtrans-60.3-42.3174.600000112.1P222 A228 R229 F230 S235 L236 H364P222-A232 HydrophobicContact CB-CB 3.73Å; A228-A232 VanDerWaalsContact O-CB 3.31Å; A228-A232 WeakPolarHBondContact O-CB 3.28Å; A228-A232 PolarHBondContact O-N 3.21Å; R229-A232 PolarHBondContact O-N 3.46Å; F230-A232 VanDerWaalsContact C-N 3.33Å; F230-A232 PolarHBondContact O-N 2.87Å; A232-S235 PolarHBondContact O-N 2.86Å; A232-L236 WeakPolarHBondContact O-CB 3.26Å; A232-L236 PolarHBondContact O-N 2.96Å; A232-H364 WeakPolarHBondContact CB-ND1 3.34Å
233F89.8Confident89.2Confident137 Ų13764.8 Ų64.860%0.60131%0.308SS*.Hα-helixtrans-65-42.5175-177-96.2000112.5R229 F230 I231 S235 L236 F237R229-F233 WeakPolarHBondContact O-CB 3.18Å; R229-F233 PolarHBondContact O-N 3.44Å; F230-F233 PolarHBondContact O-N 2.89Å; I231-F233 VanDerWaalsContact C-N 3.33Å; I231-F233 PolarHBondContact O-N 3.47Å; F233-S235 VanDerWaalsContact C-N 3.33Å; F233-S235 PolarHBondContact O-N 3.25Å; F233-L236 WeakPolarHBondContact O-CB 3.49Å; F233-L236 PolarHBondContact O-N 3.4Å; F233-F237 PolarHBondContact O-N 3.35Å
234A92.1Very high89.9Confident15 Ų1562.4 Ų62.412%0.12431%0.307CS..Hα-helixtrans-61.7-42.4174.700000111.5F230 I231 F237 F238 W292F230-A234 PolarHBondContact O-N 2.91Å; I231-A234 PolarHBondContact O-N 3.07Å; A234-F237 WeakPolarHBondContact O-CB 3.47Å; A234-F237 PolarHBondContact O-N 3.28Å; A234-F238 VanDerWaalsContact O-CD2 3.24Å; A234-F238 WeakPolarHBondContact O-CD2 3.2Å; A234-F238 PolarHBondContact O-N 2.94Å; A234-W292 HydrophobicContact CB-CH2 4.18Å; A234-W292 HydrophobicContact CB-CZ2 3.81Å
235S90.6Very high90.6Very high0 Ų060.4 Ų60.40%029%0.293CS..Hα-helixtrans-63.9-43.3177.5-50.40000111.2I231 A232 F233 F237 F238 I239 E296I231-S235 WeakPolarHBondContact O-CB 3.08Å; I231-S235 PolarHBondContact O-N 2.72Å; I231-S235 PolarHBondContact O-OG 3.43Å; A232-S235 PolarHBondContact O-N 2.86Å; F233-S235 VanDerWaalsContact C-N 3.33Å; F233-S235 PolarHBondContact O-N 3.25Å; S235-F237 VanDerWaalsContact C-N 3.34Å; S235-F237 PolarHBondContact O-N 2.67Å; S235-F238 PolarHBondContact O-N 3.4Å; S235-I239 WeakPolarHBondContact O-CD1 3.48Å; S235-I239 VanDerWaalsContact O-CG1 3.22Å; S235-I239 WeakPolarHBondContact O-CG1 3.43Å; S235-I239 PolarHBondContact O-N 2.89Å; S235-E296 PolarHBondContact OG-OE1 3.46Å; S235-E296 PolarHBondContact OG-OE2 3.26Å
236L89.6Confident90.7Very high37 Ų3760.3 Ų60.319%0.19429%0.287CS..Hα-helixtrans-58.1-44.4171.817661.4000112A232 F233 I239 L240 L361 F365A232-L236 WeakPolarHBondContact O-CB 3.26Å; A232-L236 PolarHBondContact O-N 2.96Å; F233-L236 WeakPolarHBondContact O-CB 3.49Å; F233-L236 PolarHBondContact O-N 3.4Å; L236-I239 PolarHBondContact O-N 2.97Å; L236-L240 HydrophobicContact CD1-CD1 4.39Å; L236-L240 HydrophobicContact CD1-CG 4.35Å; L236-L240 HydrophobicContact CG-CD1 4.33Å; L236-L240 WeakPolarHBondContact O-CG 3.29Å; L236-L240 PolarHBondContact O-N 2.86Å; L236-L361 HydrophobicContact CD1-CD2 3.22Å; L236-F365 HydrophobicContact CD1-CE2 4.18Å; L236-F365 HydrophobicContact CD2-CZ 4.38Å
237F93Very high90.9Very high115 Ų11552.8 Ų52.850%0.50427%0.268SS..Hα-helixtrans-59.8-49.4177.3173-97.1000111.9F233 A234 S235 I239 L240 V241F233-F237 PolarHBondContact O-N 3.35Å; A234-F237 WeakPolarHBondContact O-CB 3.47Å; A234-F237 PolarHBondContact O-N 3.28Å; S235-F237 VanDerWaalsContact C-N 3.34Å; S235-F237 PolarHBondContact O-N 2.67Å; F237-I239 VanDerWaalsContact C-N 3.31Å; F237-I239 PolarHBondContact O-N 3.44Å; F237-L240 PolarHBondContact O-N 3.09Å; F237-V241 HydrophobicContact CD1-CG2 4.29Å; F237-V241 HydrophobicContact CD2-CG2 4.42Å; F237-V241 HydrophobicContact CE1-CG2 3.85Å; F237-V241 HydrophobicContact CE2-CG2 4Å; F237-V241 HydrophobicContact CZ-CG2 3.69Å; F237-V241 WeakPolarHBondContact O-CG2 3.49Å; F237-V241 PolarHBondContact O-N 2.95Å
238F93.4Very high90.9Very high42 Ų4253.4 Ų53.418%0.18426%0.263CS..Hα-helixtrans-64-34.2177.5-79.9-72.4000112.9A234 S235 S242 V288 C289 W292 F293A234-F238 VanDerWaalsContact O-CD2 3.24Å; A234-F238 WeakPolarHBondContact O-CD2 3.2Å; A234-F238 PolarHBondContact O-N 2.94Å; S235-F238 PolarHBondContact O-N 3.4Å; F238-S242 WeakPolarHBondContact O-CB 3.4Å; F238-S242 PolarHBondContact O-N 3.35Å; F238-V288 HydrophobicContact CE1-CG1 4.1Å; F238-C289 HydrophobicContact CD1-CB 4.42Å; F238-W292 HydrophobicContact CB-CG 4.3Å; F238-W292 HydrophobicContact CD1-CB 4.18Å; F238-W292 HydrophobicContact CD1-CG 4.37Å; F238-W292 HydrophobicContact CD2-CB 4.05Å; F238-W292 AromaticContact CD2-CD1 3.46Å; F238-W292 VanDerWaalsContact CD2-CD1 3.46Å; F238-W292 AromaticContact CD2-CD2 3.55Å; F238-W292 HydrophobicContact CD2-CD2 3.55Å; F238-W292 AromaticContact CD2-CE2 3.73Å; F238-W292 HydrophobicContact CD2-CE3 4.27Å; F238-W292 AromaticContact CD2-CG 3.39Å; F238-W292 HydrophobicContact CD2-CG 3.39Å; F238-W292 AromaticContact CD2-NE1 3.67Å; F238-W292 HydrophobicContact CE1-CB 4.32Å; F238-W292 HydrophobicContact CE2-CB 4.2Å; F238-W292 AromaticContact CE2-CD2 3.51Å; F238-W292 HydrophobicContact CE2-CD2 3.51Å; F238-W292 AromaticContact CE2-CE2 3.98Å; F238-W292 AromaticContact CE2-CE3 3.75Å; F238-W292 HydrophobicContact CE2-CE3 3.75Å; F238-W292 AromaticContact CE2-CG 3.7Å; F238-W292 HydrophobicContact CE2-CG 3.7Å; F238-W292 HydrophobicContact CE2-CZ3 4.38Å; F238-W292 HydrophobicContact CG-CB 4.05Å; F238-W292 AromaticContact CG-CD1 3.74Å; F238-W292 HydrophobicContact CG-CD2 4.4Å; F238-W292 AromaticContact CG-CG 3.77Å; F238-W292 HydrophobicContact CG-CG 3.77Å; F238-W292 HydrophobicContact CZ-CB 4.33Å; F238-W292 HydrophobicContact CZ-CD2 4.33Å; F238-W292 HydrophobicContact CZ-CE3 4.36Å; F238-W292 HydrophobicContact CZ-CG 4.31Å; F238-F293 HydrophobicContact CB-CE1 3.92Å; F238-F293 HydrophobicContact CB-CZ 4.12Å
239I91.4Very high90.9Very high1 Ų154 Ų541%0.00527%0.266CS..Hα-helixtrans-61-48.1172.2-68.9161.7000110.5S235 L236 F237 S242 I243 F293 K360 L361S235-I239 WeakPolarHBondContact O-CD1 3.48Å; S235-I239 VanDerWaalsContact O-CG1 3.22Å; S235-I239 WeakPolarHBondContact O-CG1 3.43Å; S235-I239 PolarHBondContact O-N 2.89Å; L236-I239 PolarHBondContact O-N 2.97Å; F237-I239 VanDerWaalsContact C-N 3.31Å; F237-I239 PolarHBondContact O-N 3.44Å; I239-S242 PolarHBondContact O-N 3.45Å; I239-I243 HydrophobicContact CG2-CD1 3.74Å; I239-I243 HydrophobicContact CG2-CG1 4.46Å; I239-I243 VanDerWaalsContact O-CG1 3.3Å; I239-I243 WeakPolarHBondContact O-CG1 3.19Å; I239-I243 PolarHBondContact O-N 3.38Å; I239-F293 HydrophobicContact CG1-CE1 3.78Å; I239-F293 HydrophobicContact CG1-CZ 3.9Å; I239-K360 HydrophobicContact CD1-CB 3.53Å; I239-K360 HydrophobicContact CD1-CD 4.49Å; I239-K360 HydrophobicContact CG1-CB 4.29Å; I239-L361 HydrophobicContact CB-CD2 4.48Å; I239-L361 HydrophobicContact CD1-CD2 4.04Å; I239-L361 HydrophobicContact CG2-CD2 3.96Å; I239-L361 HydrophobicContact CG2-CG 4.2Å
240L92Very high90.9Very high92 Ų9251.8 Ų51.848%0.48227%0.269SS..Hα-helixtrans-63-48.1179.6-68.9173.7000111.7L236 F237 S242 I243 T244L236-L240 HydrophobicContact CD1-CD1 4.39Å; L236-L240 HydrophobicContact CD1-CG 4.35Å; L236-L240 HydrophobicContact CG-CD1 4.33Å; L236-L240 WeakPolarHBondContact O-CG 3.29Å; L236-L240 PolarHBondContact O-N 2.86Å; F237-L240 PolarHBondContact O-N 3.09Å; L240-S242 VanDerWaalsContact C-N 3.29Å; L240-S242 PolarHBondContact O-N 2.99Å; L240-I243 PolarHBondContact O-N 3.18Å; L240-T244 PolarHBondContact O-N 3.27Å; L240-T244 PolarHBondContact O-OG1 3.4Å; L240-T244 VanDerWaalsContact O-OG1 3.06Å
241V93.8Very high90.9Very high40 Ų4049.3 Ų49.324%0.24226%0.26CS..Hα-helixtrans-56.3-46.5177172.30000110.6F237 T244 T245 V285F237-V241 HydrophobicContact CD1-CG2 4.29Å; F237-V241 HydrophobicContact CD2-CG2 4.42Å; F237-V241 HydrophobicContact CE1-CG2 3.85Å; F237-V241 HydrophobicContact CE2-CG2 4Å; F237-V241 HydrophobicContact CZ-CG2 3.69Å; F237-V241 WeakPolarHBondContact O-CG2 3.49Å; F237-V241 PolarHBondContact O-N 2.95Å; V241-T244 WeakPolarHBondContact O-CB 3.29Å; V241-T244 PolarHBondContact O-N 3.12Å; V241-T245 PolarHBondContact O-N 3.33Å; V241-T245 PolarHBondContact O-OG1 2.98Å; V241-T245 VanDerWaalsContact O-OG1 3.1Å; V241-V285 HydrophobicContact CG1-CG1 3.69Å
242S91.4Very high90.8Very high0 Ų055.8 Ų55.80%029%0.289CS..Hα-helixtrans-69.9-34.1-177.9-174.90000113.7F238 I239 L240 F246 E286 R357F238-S242 WeakPolarHBondContact O-CB 3.4Å; F238-S242 PolarHBondContact O-N 3.35Å; I239-S242 PolarHBondContact O-N 3.45Å; L240-S242 VanDerWaalsContact C-N 3.29Å; L240-S242 PolarHBondContact O-N 2.99Å; S242-F246 WeakPolarHBondContact O-CB 3.48Å; S242-F246 PolarHBondContact O-N 3.25Å; S242-E286 PolarHBondContact OG-OE2 3.14Å; S242-R357 VanDerWaalsContact OG-CD 3.28Å; S242-R357 WeakPolarHBondContact OG-CD 3.42Å; S242-R357 PolarHBondContact OG-NE 2.87Å; S242-R357 PolarHBondContact OG-NH1 3.49Å; S242-R357 PolarHBondContact OG-NH2 2.98Å; S242-R357 VanDerWaalsContact OG-NH2 3.08Å
243I90.8Very high90.8Very high45 Ų4558.7 Ų58.723%0.23131%0.314CS..Hα-helixtrans-65.7-43.1170.3-68.7168.4000110.1I239 L240 F246 C247 R357 I358I239-I243 HydrophobicContact CG2-CD1 3.74Å; I239-I243 HydrophobicContact CG2-CG1 4.46Å; I239-I243 VanDerWaalsContact O-CG1 3.3Å; I239-I243 WeakPolarHBondContact O-CG1 3.19Å; I239-I243 PolarHBondContact O-N 3.38Å; L240-I243 PolarHBondContact O-N 3.18Å; I243-F246 WeakPolarHBondContact O-CB 3.14Å; I243-F246 PolarHBondContact O-N 3.14Å; I243-C247 PolarHBondContact O-N 3.09Å; I243-C247 PolarHBondContact O-SG 3.43Å; I243-C247 VanDerWaalsContact O-SG 3.33Å; I243-R357 HydrophobicContact CG1-CG 4.15Å; I243-I358 HydrophobicContact CD1-CB 4.17Å; I243-I358 HydrophobicContact CD1-CD1 4.47Å; I243-I358 HydrophobicContact CD1-CG1 4.05Å
244T92.4Very high90.8Very high79 Ų7955 Ų5549%0.48530%0.297SS..Hα-helixtrans-60.8-48.1175.6-59.70000111.1L240 V241 F246 C247 L248L240-T244 PolarHBondContact O-N 3.27Å; L240-T244 PolarHBondContact O-OG1 3.4Å; L240-T244 VanDerWaalsContact O-OG1 3.06Å; V241-T244 WeakPolarHBondContact O-CB 3.29Å; V241-T244 PolarHBondContact O-N 3.12Å; T244-F246 VanDerWaalsContact C-N 3.33Å; T244-F246 PolarHBondContact O-N 3.26Å; T244-C247 PolarHBondContact O-N 3.21Å; T244-C247 VanDerWaalsContact O-N 3.15Å; T244-L248 HydrophobicContact CG2-CD1 3.96Å; T244-L248 HydrophobicContact CG2-CG 4.26Å; T244-L248 VanDerWaalsContact O-CG 3.29Å; T244-L248 WeakPolarHBondContact O-CG 3.37Å; T244-L248 PolarHBondContact O-N 3.11Å
245T91.7Very high90.5Very high8 Ų856.8 Ų56.85%0.04931%0.305CS..Hα-helixtrans-58.4-44175.7-60.30000111.4V241 C247 L248 E249 L282 V285 E286V241-T245 PolarHBondContact O-N 3.33Å; V241-T245 PolarHBondContact O-OG1 2.98Å; V241-T245 VanDerWaalsContact O-OG1 3.1Å; T245-C247 VanDerWaalsContact C-N 3.34Å; T245-C247 PolarHBondContact O-N 3.16Å; T245-L248 PolarHBondContact O-N 3.45Å; T245-L248 VanDerWaalsContact O-N 3.16Å; T245-E249 WeakPolarHBondContact O-CG 3.48Å; T245-E249 PolarHBondContact O-N 3.48Å; T245-L282 HydrophobicContact CG2-CB 3.9Å; T245-L282 HydrophobicContact CG2-CD2 4.23Å; T245-L282 HydrophobicContact CG2-CG 4.12Å; T245-L282 WeakPolarHBondContact CG2-O 3.47Å; T245-V285 WeakPolarHBondContact OG1-CG1 3.19Å; T245-E286 HydrophobicContact CG2-CB 4.28Å
246F89Confident90Very high42 Ų4260.2 Ų60.218%0.18432%0.322CS..Hα-helixtrans-58.3-42.8174.9172.6-101.9000112.6S242 I243 T244 R354S242-F246 WeakPolarHBondContact O-CB 3.48Å; S242-F246 PolarHBondContact O-N 3.25Å; I243-F246 WeakPolarHBondContact O-CB 3.14Å; I243-F246 PolarHBondContact O-N 3.14Å; T244-F246 VanDerWaalsContact C-N 3.33Å; T244-F246 PolarHBondContact O-N 3.26Å; F246-R354 HydrophobicContact CD2-CB 4.25Å
247C91Very high89.6Confident68 Ų6862.5 Ų62.546%0.45934%0.337SS..Hα-helixtrans-65.2-43.6174.3-65.90000111.7I243 T244 T245 E249 T250I243-C247 PolarHBondContact O-N 3.09Å; I243-C247 PolarHBondContact O-SG 3.43Å; I243-C247 VanDerWaalsContact O-SG 3.33Å; T244-C247 PolarHBondContact O-N 3.21Å; T244-C247 VanDerWaalsContact O-N 3.15Å; T245-C247 VanDerWaalsContact C-N 3.34Å; T245-C247 PolarHBondContact O-N 3.16Å; C247-E249 VanDerWaalsContact C-N 3.33Å; C247-E249 PolarHBondContact O-N 3.02Å; C247-T250 PolarHBondContact O-N 3.43Å; C247-T250 VanDerWaalsContact O-N 3.11Å; C247-T250 PolarHBondContact O-OG1 3.03Å
248L92.5Very high88.7Confident65 Ų6561.6 Ų61.634%0.3433%0.334SS..Hα-helixtrans-66.1-32.6-179.6-65.3174.7000112.5T244 T245 T250 H251 F254 L282T244-L248 HydrophobicContact CG2-CD1 3.96Å; T244-L248 HydrophobicContact CG2-CG 4.26Å; T244-L248 VanDerWaalsContact O-CG 3.29Å; T244-L248 WeakPolarHBondContact O-CG 3.37Å; T244-L248 PolarHBondContact O-N 3.11Å; T245-L248 PolarHBondContact O-N 3.45Å; T245-L248 VanDerWaalsContact O-N 3.16Å; L248-T250 PolarHBondContact O-N 3.5Å; L248-T250 VanDerWaalsContact O-N 3.14Å; L248-H251 WeakPolarHBondContact O-CB 3.35Å; L248-H251 PolarHBondContact O-N 2.9Å; L248-F254 HydrophobicContact CB-CD2 4.05Å; L248-F254 HydrophobicContact CB-CE2 4.06Å; L248-F254 HydrophobicContact CD2-CD2 4.47Å; L248-F254 HydrophobicContact CD2-CE2 3.79Å; L248-F254 HydrophobicContact CD2-CZ 4.48Å; L248-F254 HydrophobicContact CG-CE2 4.34Å; L248-F254 WeakPolarHBondContact O-CD2 3.18Å; L248-L282 HydrophobicContact CB-CD2 3.58Å
249E87.3Confident87.7Confident15 Ų1564.6 Ų64.67%0.0735%0.351CS..THydrogen-bonded Turntrans-58.5-23.4172.8-77.9-176.7-176.500112.7T245 C247 N255 T278 L282 R354T245-E249 WeakPolarHBondContact O-CG 3.48Å; T245-E249 PolarHBondContact O-N 3.48Å; C247-E249 VanDerWaalsContact C-N 3.33Å; C247-E249 PolarHBondContact O-N 3.02Å; E249-N255 PolarHBondContact O-OD1 2.99Å; E249-T278 HydrophobicContact CB-CG2 4.19Å; E249-T278 HydrophobicContact CG-CG2 4.13Å; E249-L282 HydrophobicContact CB-CD2 4.38Å; E249-L282 HydrophobicContact CG-CB 4.29Å; E249-L282 HydrophobicContact CG-CD2 3.78Å; E249-R354 IonicContact OE1-NH1 2.82Å; E249-R354 PolarHBondContact OE1-NH1 3.34Å; E249-R354 IonicContact OE2-NH1 3.41Å; E249-R354 PolarHBondContact OE2-NH1 3Å
250T87Confident86.6Confident102 Ų10268.5 Ų68.563%0.62637%0.368SS*.THydrogen-bonded Turntrans-89.1-13.8177.6690000113.6C247 L248C247-T250 PolarHBondContact O-N 3.43Å; C247-T250 VanDerWaalsContact O-N 3.11Å; C247-T250 PolarHBondContact O-OG1 3.03Å; L248-T250 PolarHBondContact O-N 3.5Å; L248-T250 VanDerWaalsContact O-N 3.14Å
251H90.6Very high85.5Confident95 Ų9568.4 Ų68.444%0.4437%0.372SS..SBendtrans-80.1134.3-175.9-172.3-76.6000110.7L248 A253 F254L248-H251 WeakPolarHBondContact O-CB 3.35Å; L248-H251 PolarHBondContact O-N 2.9Å; H251-A253 VanDerWaalsContact ND1-CB 3.26Å; H251-A253 WeakPolarHBondContact ND1-CB 3.25Å; H251-A253 PolarHBondContact ND1-N 2.83Å; H251-A253 VanDerWaalsContact ND1-N 3.12Å; H251-A253 PolarHBondContact O-N 3.31Å; H251-A253 VanDerWaalsContact O-N 3.08Å; H251-F254 HydrophobicContact CB-CD2 4.2Å; H251-F254 PolarHBondContact O-N 3.47Å
252E89.1Confident84.1Confident161 Ų16171.1 Ų71.175%0.75238%0.382SS*.G310 helixtrans-53.7-34.5-175.661.6-178.9-178.300113.8F254 N255E252-F254 PolarHBondContact O-N 3.38Å; E252-N255 PolarHBondContact O-N 3.01Å; E252-N255 VanDerWaalsContact O-N 3.13Å
253A89.4Confident82.7Confident74 Ų7476.2 Ų76.261%0.61242%0.415SS*.G310 helixtrans-60.5-24.3177.400000114.9H251H251-A253 VanDerWaalsContact ND1-CB 3.26Å; H251-A253 WeakPolarHBondContact ND1-CB 3.25Å; H251-A253 PolarHBondContact ND1-N 2.83Å; H251-A253 VanDerWaalsContact ND1-N 3.12Å; H251-A253 PolarHBondContact O-N 3.31Å; H251-A253 VanDerWaalsContact O-N 3.08Å
254F88.4Confident81.5Confident59 Ų5977.2 Ų77.226%0.25942%0.423SS..G310 helixtrans-104.32.6179.1-61.7-76.8000113.1L248 H251 E252 D279 L282L248-F254 HydrophobicContact CB-CD2 4.05Å; L248-F254 HydrophobicContact CB-CE2 4.06Å; L248-F254 HydrophobicContact CD2-CD2 4.47Å; L248-F254 HydrophobicContact CD2-CE2 3.79Å; L248-F254 HydrophobicContact CD2-CZ 4.48Å; L248-F254 HydrophobicContact CG-CE2 4.34Å; L248-F254 WeakPolarHBondContact O-CD2 3.18Å; H251-F254 HydrophobicContact CB-CD2 4.2Å; H251-F254 PolarHBondContact O-N 3.47Å; E252-F254 PolarHBondContact O-N 3.38Å; F254-D279 HydrophobicContact CB-CB 4.44Å; F254-D279 HydrophobicContact CD1-CB 4.32Å; F254-D279 PolarHBondContact O-N 3.02Å; F254-L282 HydrophobicContact CB-CD1 4.23Å; F254-L282 HydrophobicContact CB-CD2 4.26Å; F254-L282 HydrophobicContact CD1-CD1 3.31Å; F254-L282 HydrophobicContact CD1-CD2 4.43Å; F254-L282 HydrophobicContact CE1-CD1 3.78Å; F254-L282 HydrophobicContact CG-CD1 3.87Å; F254-L282 HydrophobicContact CG-CD2 4.2Å
255N85.4Confident80.1Confident53 Ų5381.6 Ų81.628%0.28344%0.442SS..EExtended strand (participates in β ladder)trans-94.397.7177.8-77.1-25000109.6E249 E252 I276E249-N255 PolarHBondContact O-OD1 2.99Å; E252-N255 PolarHBondContact O-N 3.01Å; E252-N255 VanDerWaalsContact O-N 3.13Å; N255-I276 HydrophobicContact CB-CG2 3.66Å
256I80.5Confident78.8Confident71 Ų7187.5 Ų87.536%0.36447%0.473SS..EExtended strand (participates in β ladder)trans-86.6118-179.5-56175.8000108.7K258 E277 D279I256-K258 HydrophobicContact CG2-CG 4.43Å; I256-K258 PolarHBondContact O-N 3.45Å; I256-E277 PolarHBondContact N-O 3.28Å; I256-E277 PolarHBondContact O-N 2.92Å; I256-D279 HydrophobicContact CD1-CB 4.14Å
257V80.5Confident77.4Confident85 Ų8588.9 Ų88.952%0.51550%0.499SS..EExtended strand (participates in β ladder)trans-79.1114174.6-176.10000109.1Y274V257-Y274 HydrophobicContact CG1-CD1 3.78Å; V257-Y274 HydrophobicContact CG1-CG 4.41Å
258K75.2Confident76.3Confident97 Ų9791.6 Ų91.642%0.42251%0.513SS..EExtended strand (participates in β ladder)trans-102.2135171.8-68.4-167.2-173165.10110.7I256 E275 E277I256-K258 HydrophobicContact CG2-CG 4.43Å; I256-K258 PolarHBondContact O-N 3.45Å; K258-E275 PolarHBondContact N-O 3.19Å; K258-E275 PolarHBondContact O-N 3.37Å; K258-E277 HydrophobicContact CD-CG 4.49Å; K258-E277 VanDerWaalsContact CD-OE2 3.27Å; K258-E277 WeakPolarHBondContact CD-OE2 3.44Å; K258-E277 WeakPolarHBondContact CE-OE2 3.49Å; K258-E277 IonicContact NZ-OE2 2.66Å; K258-E277 PolarHBondContact NZ-OE2 2.85Å
259N72.5Confident74.8Confident104 Ų10491.8 Ų91.856%0.55652%0.52SS*.EExtended strand (participates in β ladder)trans-87.9107.4175.3-61.6-16.5000108.7L272 Y274N259-L272 HydrophobicContact CB-CD2 4.11Å; N259-L272 HydrophobicContact CB-CG 4.41Å; N259-Y274 VanDerWaalsContact OD1-CD1 3.29Å; N259-Y274 WeakPolarHBondContact OD1-CD1 3.31Å; N259-Y274 WeakPolarHBondContact OD1-CE1 3.35Å
260K67.9Low73.7Confident84 Ų8495.9 Ų95.937%0.36555%0.546SS..EExtended strand (participates in β ladder)trans-101.3131.2171.4-76.4-179.3-177.2159.70109.6Q273 E275 E277K260-Q273 PolarHBondContact N-O 3.33Å; K260-Q273 PolarHBondContact O-N 3.18Å; K260-E275 WeakPolarHBondContact CD-OE2 3.16Å; K260-E275 IonicContact NZ-OE2 3.05Å; K260-E275 PolarHBondContact NZ-OE2 3.15Å; K260-E277 WeakPolarHBondContact CE-OE1 3.31Å; K260-E277 IonicContact NZ-OE1 2.68Å; K260-E277 PolarHBondContact NZ-OE1 3.47Å
261T68.4Low72.8Confident90 Ų9094.9 Ų94.955%0.55254%0.54SS*.EExtended strand (participates in β ladder)trans-102.4106174.436.30000108.8V270 L272T261-V270 VanDerWaalsContact CB-CG1 3.4Å; T261-V270 HydrophobicContact CG2-CG1 3.34Å; T261-L272 HydrophobicContact CG2-CD1 4.06Å
262E64.5Low71.6Confident97 Ų9794.1 Ų94.145%0.45354%0.539SS..EExtended strand (participates in β ladder)trans-93.3127.9170.9-70.6-160.8155.900109.3V264 V271 K341E262-V264 PolarHBondContact O-N 3.42Å; E262-V271 PolarHBondContact N-O 3.46Å; E262-V271 PolarHBondContact O-N 2.9Å; E262-K341 IonicContact OE1-NZ 3.16Å
263P61.9Low70.5Confident107 Ų10791.4 Ų91.470%0.69553%0.526SS*.EExtended strand (participates in β ladder)trans-70.4121.1172.528.1-31.3000109
264V66Low69.5Low66 Ų6695.4 Ų95.440%0.453%0.526SS..PPolyproline II helixtrans-66.6146.5172.7179.50000108.9E262 N266 G267 S269 V271E262-V264 PolarHBondContact O-N 3.42Å; V264-N266 PolarHBondContact O-N 3.22Å; V264-G267 PolarHBondContact O-N 3.33Å; V264-S269 WeakPolarHBondContact CB-O 3.19Å; V264-S269 WeakPolarHBondContact CG2-O 3.28Å; V264-S269 PolarHBondContact N-O 2.83Å; V264-S269 VanDerWaalsContact N-O 3.13Å; V264-V271 HydrophobicContact CG2-CB 4.28Å; V264-V271 HydrophobicContact CG2-CG2 3.5Å; V264-V271 VanDerWaalsContact CG2-CG2 3.5Å
265I63.9Low68.7Low171 Ų17195 Ų9588%0.87753%0.525SS*.THydrogen-bonded Turntrans-51.7-5-172.1-67169.7000115.4
266N64.1Low68.2Low132 Ų13297 Ų9771%0.70654%0.535SS*.THydrogen-bonded Turntrans-108.97.3173.8-68-12.3000114.9V264 T268V264-N266 PolarHBondContact O-N 3.22Å; N266-T268 PolarHBondContact O-N 3.48Å
267G59.5Low68.1Low71 Ų7196 Ų9673%0.73253%0.529SS*.SBendtrans66.7-6.3173.100000116.4V264V264-G267 PolarHBondContact O-N 3.33Å
268T66.8Low68.2Low124 Ų12493.2 Ų93.276%0.76151%0.512SS*.SBendtrans-103.2-7.6-174.352.20000114.5N266N266-T268 PolarHBondContact O-N 3.48Å
269S61.6Low68.8Low69 Ų6990.8 Ų90.848%0.48350%0.503SS..  trans-137.7126.2-178.5-55.80000110.9V264V264-S269 WeakPolarHBondContact CB-O 3.19Å; V264-S269 WeakPolarHBondContact CG2-O 3.28Å; V264-S269 PolarHBondContact N-O 2.83Å; V264-S269 VanDerWaalsContact N-O 3.13Å
270V64.6Low69.5Low101 Ų10189.2 Ų89.261%0.61250%0.499SS*.EExtended strand (participates in β ladder)trans-97.9115.4173.8-177.70000106.8T261T261-V270 VanDerWaalsContact CB-CG1 3.4Å; T261-V270 HydrophobicContact CG2-CG1 3.34Å
271V67.9Low70.7Confident82 Ų8287.7 Ų87.750%0.49750%0.502SS..EExtended strand (participates in β ladder)trans-90.9122.3172.61760000107.5E262 V264 Q273E262-V271 PolarHBondContact N-O 3.46Å; E262-V271 PolarHBondContact O-N 2.9Å; V264-V271 HydrophobicContact CG2-CB 4.28Å; V264-V271 HydrophobicContact CG2-CG2 3.5Å; V264-V271 VanDerWaalsContact CG2-CG2 3.5Å; V271-Q273 PolarHBondContact O-N 2.93Å
272L65.4Low71.8Confident79 Ų7984 Ų8441%0.41448%0.479SS..EExtended strand (participates in β ladder)trans-81.9107.9174.7-155.6123.8000107.7N259 T261 Y274N259-L272 HydrophobicContact CB-CD2 4.11Å; N259-L272 HydrophobicContact CB-CG 4.41Å; T261-L272 HydrophobicContact CG2-CD1 4.06Å; L272-Y274 HydrophobicContact CD2-CD1 4.19Å; L272-Y274 HydrophobicContact CD2-CE1 3.56Å; L272-Y274 HydrophobicContact CD2-CE2 4.08Å; L272-Y274 VanDerWaalsContact CD2-CZ 3.49Å
273Q65.8Low73Confident103 Ų10382.1 Ų82.148%0.48147%0.474SS..EExtended strand (participates in β ladder)trans-100.2120.7176.8-168.2171.1-26.400108.7K260 V271 E275K260-Q273 PolarHBondContact N-O 3.33Å; K260-Q273 PolarHBondContact O-N 3.18Å; V271-Q273 PolarHBondContact O-N 2.93Å; Q273-E275 PolarHBondContact O-N 2.75Å
274Y68.2Low74.4Confident158 Ų15885.5 Ų85.562%0.6247%0.474SS*.EExtended strand (participates in β ladder)trans-78.8118.4172.4-59.2-79.7000108.5V257 N259 L272V257-Y274 HydrophobicContact CG1-CD1 3.78Å; V257-Y274 HydrophobicContact CG1-CG 4.41Å; N259-Y274 VanDerWaalsContact OD1-CD1 3.29Å; N259-Y274 WeakPolarHBondContact OD1-CD1 3.31Å; N259-Y274 WeakPolarHBondContact OD1-CE1 3.35Å; L272-Y274 HydrophobicContact CD2-CD1 4.19Å; L272-Y274 HydrophobicContact CD2-CE1 3.56Å; L272-Y274 HydrophobicContact CD2-CE2 4.08Å; L272-Y274 VanDerWaalsContact CD2-CZ 3.49Å
275E71.7Confident75.8Confident50 Ų5085.3 Ų85.323%0.23447%0.473CS..EExtended strand (participates in β ladder)trans-111.3122.9170.8-168.6169.1-172.300109.2K258 K260 Q273 E277 R348K258-E275 PolarHBondContact N-O 3.19Å; K258-E275 PolarHBondContact O-N 3.37Å; K260-E275 WeakPolarHBondContact CD-OE2 3.16Å; K260-E275 IonicContact NZ-OE2 3.05Å; K260-E275 PolarHBondContact NZ-OE2 3.15Å; Q273-E275 PolarHBondContact O-N 2.75Å; E275-E277 HydrophobicContact CG-CG 4.27Å; E275-E277 PolarHBondContact O-N 3.33Å; E275-R348 IonicContact OE1-CZ 3.9Å; E275-R348 IonicContact OE1-NH1 4Å; E275-R348 IonicContact OE1-NH2 3.78Å; E275-R348 PolarHBondContact OE1-NH2 3.44Å
276I75.7Confident77.1Confident96 Ų9677.2 Ų77.249%0.49243%0.431SS..EExtended strand (participates in β ladder)trans-80.7111173-58.3170.9000107N255N255-I276 HydrophobicContact CB-CG2 3.66Å
277E78.9Confident78.5Confident50 Ų5071.4 Ų71.423%0.23440%0.403CS..EExtended strand (participates in β ladder)trans-107.6138.8173.5-67.7-174.8-171.700109.2I256 K258 K260 E275I256-E277 PolarHBondContact N-O 3.28Å; I256-E277 PolarHBondContact O-N 2.92Å; K258-E277 HydrophobicContact CD-CG 4.49Å; K258-E277 VanDerWaalsContact CD-OE2 3.27Å; K258-E277 WeakPolarHBondContact CD-OE2 3.44Å; K258-E277 WeakPolarHBondContact CE-OE2 3.49Å; K258-E277 IonicContact NZ-OE2 2.66Å; K258-E277 PolarHBondContact NZ-OE2 2.85Å; K260-E277 WeakPolarHBondContact CE-OE1 3.31Å; K260-E277 IonicContact NZ-OE1 2.68Å; K260-E277 PolarHBondContact NZ-OE1 3.47Å; E275-E277 HydrophobicContact CG-CG 4.27Å; E275-E277 PolarHBondContact O-N 3.33Å
278T82.7Confident80.2Confident26 Ų2672.2 Ų72.216%0.1639%0.394CS..EExtended strand (participates in β ladder)trans-71.3144.4175.147.40000110.1E249E249-T278 HydrophobicContact CB-CG2 4.19Å; E249-T278 HydrophobicContact CG-CG2 4.13Å
279D87.1Confident81.5Confident46 Ų4666.4 Ų66.425%0.24636%0.358CS..  trans-50.3126.7175.3-175.1-33000110.9F254 I256 A281 L282F254-D279 HydrophobicContact CB-CB 4.44Å; F254-D279 HydrophobicContact CD1-CB 4.32Å; F254-D279 PolarHBondContact O-N 3.02Å; I256-D279 HydrophobicContact CD1-CB 4.14Å; D279-A281 PolarHBondContact O-N 3.28Å; D279-A281 VanDerWaalsContact O-N 3.09Å; D279-A281 WeakPolarHBondContact OD1-CB 3.49Å; D279-A281 PolarHBondContact OD1-N 3.09Å; D279-L282 HydrophobicContact CB-CD1 3.96Å; D279-L282 PolarHBondContact O-N 3.13Å
280P87.8Confident83Confident71 Ų7163.1 Ų63.146%0.46134%0.335SS..Hα-helixtrans-54.7-29.9-178.722.4-35000113.3L282 T283 Y284P280-L282 VanDerWaalsContact C-N 3.3Å; P280-L282 PolarHBondContact O-N 2.84Å; P280-T283 PolarHBondContact O-N 3.25Å; P280-Y284 HydrophobicContact CB-CD2 4.5Å; P280-Y284 HydrophobicContact CB-CE2 4.19Å; P280-Y284 WeakPolarHBondContact O-CD2 3.29Å; P280-Y284 PolarHBondContact O-N 2.88Å
281A92.3Very high84.5Confident52 Ų5262.6 Ų62.643%0.4333%0.332SS..Hα-helixtrans-58.6-41.2177.500000112.2D279 Y284 V285D279-A281 PolarHBondContact O-N 3.28Å; D279-A281 VanDerWaalsContact O-N 3.09Å; D279-A281 WeakPolarHBondContact OD1-CB 3.49Å; D279-A281 PolarHBondContact OD1-N 3.09Å; A281-Y284 PolarHBondContact O-N 3.38Å; A281-V285 WeakPolarHBondContact O-CG2 3.31Å; A281-V285 PolarHBondContact O-N 2.92Å; A281-V285 VanDerWaalsContact O-N 3.09Å
282L91.8Very high85.8Confident13 Ų1361.6 Ų61.67%0.06832%0.319CS..Hα-helixtrans-67.7-40.1178-82.280.4000110.9T245 L248 E249 F254 D279 P280 Y284 V285 E286T245-L282 HydrophobicContact CG2-CB 3.9Å; T245-L282 HydrophobicContact CG2-CD2 4.23Å; T245-L282 HydrophobicContact CG2-CG 4.12Å; T245-L282 WeakPolarHBondContact CG2-O 3.47Å; L248-L282 HydrophobicContact CB-CD2 3.58Å; E249-L282 HydrophobicContact CB-CD2 4.38Å; E249-L282 HydrophobicContact CG-CB 4.29Å; E249-L282 HydrophobicContact CG-CD2 3.78Å; F254-L282 HydrophobicContact CB-CD1 4.23Å; F254-L282 HydrophobicContact CB-CD2 4.26Å; F254-L282 HydrophobicContact CD1-CD1 3.31Å; F254-L282 HydrophobicContact CD1-CD2 4.43Å; F254-L282 HydrophobicContact CE1-CD1 3.78Å; F254-L282 HydrophobicContact CG-CD1 3.87Å; F254-L282 HydrophobicContact CG-CD2 4.2Å; D279-L282 HydrophobicContact CB-CD1 3.96Å; D279-L282 PolarHBondContact O-N 3.13Å; P280-L282 VanDerWaalsContact C-N 3.3Å; P280-L282 PolarHBondContact O-N 2.84Å; L282-Y284 VanDerWaalsContact C-N 3.32Å; L282-Y284 PolarHBondContact O-N 2.99Å; L282-V285 PolarHBondContact O-N 3.32Å; L282-E286 WeakPolarHBondContact O-CB 3.39Å; L282-E286 PolarHBondContact O-N 3.36Å
283T88.5Confident87.1Confident58 Ų5857.9 Ų57.936%0.35630%0.299SS..Hα-helixtrans-62.1-38.9176-520000112P280 G287P280-T283 PolarHBondContact O-N 3.25Å; T283-G287 PolarHBondContact O-N 2.97Å
284Y92.6Very high88.5Confident178 Ų17853.8 Ų53.870%0.69828%0.282SS*.Hα-helixtrans-65-45.4174.1-75.1-66.1000112.3P280 A281 L282 E286 G287 V288P280-Y284 HydrophobicContact CB-CD2 4.5Å; P280-Y284 HydrophobicContact CB-CE2 4.19Å; P280-Y284 WeakPolarHBondContact O-CD2 3.29Å; P280-Y284 PolarHBondContact O-N 2.88Å; A281-Y284 PolarHBondContact O-N 3.38Å; L282-Y284 VanDerWaalsContact C-N 3.32Å; L282-Y284 PolarHBondContact O-N 2.99Å; Y284-E286 VanDerWaalsContact C-N 3.33Å; Y284-E286 PolarHBondContact O-N 3.41Å; Y284-G287 PolarHBondContact O-N 3.21Å; Y284-V288 WeakPolarHBondContact O-CG2 3.35Å; Y284-V288 PolarHBondContact O-N 2.84Å
285V94.5Very high89.8Confident61 Ų6151 Ų5137%0.3727%0.273SS..Hα-helixtrans-61.3-43.6177.7173.70000111V241 T245 A281 L282 G287 V288 C289V241-V285 HydrophobicContact CG1-CG1 3.69Å; T245-V285 WeakPolarHBondContact OG1-CG1 3.19Å; A281-V285 WeakPolarHBondContact O-CG2 3.31Å; A281-V285 PolarHBondContact O-N 2.92Å; A281-V285 VanDerWaalsContact O-N 3.09Å; L282-V285 PolarHBondContact O-N 3.32Å; V285-G287 VanDerWaalsContact C-N 3.33Å; V285-G287 PolarHBondContact O-N 3.25Å; V285-V288 PolarHBondContact O-N 3.11Å; V285-C289 PolarHBondContact O-N 3.32Å; V285-C289 VanDerWaalsContact O-N 3.08Å; V285-C289 PolarHBondContact O-SG 2.91Å
286E91.5Very high90.8Very high1 Ų148.7 Ų48.71%0.00526%0.262CS..Hα-helixtrans-60.8-43.5174.5178.962-169.900111.1S242 T245 L282 Y284 V288 C289 V290 F326 R357S242-E286 PolarHBondContact OG-OE2 3.14Å; T245-E286 HydrophobicContact CG2-CB 4.28Å; L282-E286 WeakPolarHBondContact O-CB 3.39Å; L282-E286 PolarHBondContact O-N 3.36Å; Y284-E286 VanDerWaalsContact C-N 3.33Å; Y284-E286 PolarHBondContact O-N 3.41Å; E286-V288 VanDerWaalsContact C-N 3.33Å; E286-V288 PolarHBondContact O-N 3.15Å; E286-C289 WeakPolarHBondContact O-CB 3.47Å; E286-C289 PolarHBondContact O-N 3.39Å; E286-C289 VanDerWaalsContact O-N 3.14Å; E286-V290 HydrophobicContact CG-CG2 4.37Å; E286-V290 WeakPolarHBondContact O-CG2 3.5Å; E286-V290 PolarHBondContact O-N 3.07Å; E286-F326 HydrophobicContact CG-CD2 4.09Å; E286-F326 HydrophobicContact CG-CE2 4.46Å; E286-R357 VanDerWaalsContact CD-NH2 3.32Å; E286-R357 IonicContact OE1-CZ 2.88Å; E286-R357 VanDerWaalsContact OE1-CZ 3.24Å; E286-R357 IonicContact OE1-NH1 3.62Å; E286-R357 PolarHBondContact OE1-NH1 3.15Å; E286-R357 IonicContact OE1-NH2 2.67Å; E286-R357 PolarHBondContact OE1-NH2 3.09Å; E286-R357 IonicContact OE2-CZ 2.85Å; E286-R357 IonicContact OE2-NH1 3.56Å; E286-R357 IonicContact OE2-NH2 3.25Å; E286-R357 PolarHBondContact OE2-NH2 2.94Å
287G92.8Very high91.6Very high11 Ų1145.3 Ų45.311%0.11324%0.244CC..Hα-helixtrans-57.2-43.517500000113T283 Y284 V285 C289 V290 V291T283-G287 PolarHBondContact O-N 2.97Å; Y284-G287 PolarHBondContact O-N 3.21Å; V285-G287 VanDerWaalsContact C-N 3.33Å; V285-G287 PolarHBondContact O-N 3.25Å; G287-C289 PolarHBondContact O-N 3.03Å; G287-V290 PolarHBondContact O-N 2.92Å; G287-V291 VanDerWaalsContact O-CG2 3.26Å; G287-V291 WeakPolarHBondContact O-CG2 3.49Å; G287-V291 PolarHBondContact O-N 3.4Å
288V95.2Very high92.4Very high88 Ų8847.3 Ų47.353%0.53326%0.256SS..Hα-helixtrans-61.9-42.8175.4175.70000111.2F238 Y284 V285 E286 V291 W292F238-V288 HydrophobicContact CE1-CG1 4.1Å; Y284-V288 WeakPolarHBondContact O-CG2 3.35Å; Y284-V288 PolarHBondContact O-N 2.84Å; V285-V288 PolarHBondContact O-N 3.11Å; E286-V288 VanDerWaalsContact C-N 3.33Å; E286-V288 PolarHBondContact O-N 3.15Å; V288-V291 PolarHBondContact O-N 3.32Å; V288-W292 PolarHBondContact O-N 2.99Å; V288-W292 VanDerWaalsContact O-N 3.12Å
289C94.7Very high92.9Very high1 Ų146.8 Ų46.81%0.00725%0.253CS..Hα-helixtrans-64.2-43.3177-61.80000111.9F238 V285 E286 G287 V291 W292 F293F238-C289 HydrophobicContact CD1-CB 4.42Å; V285-C289 PolarHBondContact O-N 3.32Å; V285-C289 VanDerWaalsContact O-N 3.08Å; V285-C289 PolarHBondContact O-SG 2.91Å; E286-C289 WeakPolarHBondContact O-CB 3.47Å; E286-C289 PolarHBondContact O-N 3.39Å; E286-C289 VanDerWaalsContact O-N 3.14Å; G287-C289 PolarHBondContact O-N 3.03Å; C289-V291 VanDerWaalsContact C-N 3.34Å; C289-V291 PolarHBondContact O-N 2.69Å; C289-W292 WeakPolarHBondContact O-CB 3.49Å; C289-W292 PolarHBondContact O-N 3.32Å; C289-F293 HydrophobicContact CB-CE2 4.17Å; C289-F293 VanDerWaalsContact O-CD2 3.26Å; C289-F293 WeakPolarHBondContact O-CD2 3.34Å; C289-F293 WeakPolarHBondContact O-CG 3.5Å; C289-F293 PolarHBondContact O-N 3.13Å
290V93.8Very high93.1Very high1 Ų144.9 Ų44.91%0.00624%0.242CC..Hα-helixtrans-64.7-39177.5171.60000111.2E286 G287 W292 F293 T294 I323 F326 Y327E286-V290 HydrophobicContact CG-CG2 4.37Å; E286-V290 WeakPolarHBondContact O-CG2 3.5Å; E286-V290 PolarHBondContact O-N 3.07Å; G287-V290 PolarHBondContact O-N 2.92Å; V290-W292 VanDerWaalsContact C-N 3.32Å; V290-W292 PolarHBondContact O-N 3.43Å; V290-F293 PolarHBondContact O-N 3.01Å; V290-T294 VanDerWaalsContact O-CB 3.27Å; V290-T294 WeakPolarHBondContact O-CB 3.22Å; V290-T294 PolarHBondContact O-N 3.41Å; V290-T294 PolarHBondContact O-OG1 3.17Å; V290-I323 HydrophobicContact CG1-CB 4.22Å; V290-I323 HydrophobicContact CG1-CG2 4.31Å; V290-F326 HydrophobicContact CB-CB 4.45Å; V290-F326 HydrophobicContact CB-CD1 4.12Å; V290-F326 HydrophobicContact CB-CG 4.2Å; V290-F326 HydrophobicContact CG1-CB 4.1Å; V290-F326 HydrophobicContact CG1-CD1 3.75Å; V290-F326 HydrophobicContact CG1-CG 4.08Å; V290-F326 HydrophobicContact CG2-CB 3.85Å; V290-F326 HydrophobicContact CG2-CD1 4.33Å; V290-F326 HydrophobicContact CG2-CD2 4.27Å; V290-F326 HydrophobicContact CG2-CG 3.9Å; V290-Y327 HydrophobicContact CG1-CD2 4.26Å; V290-Y327 HydrophobicContact CG1-CE2 3.66Å
291V95Very high93.3Very high90 Ų9043.7 Ų43.755%0.54523%0.231SC..Hα-helixtrans-59.4-44.6173.9167.60000110.8G287 V288 C289 T294 F295G287-V291 VanDerWaalsContact O-CG2 3.26Å; G287-V291 WeakPolarHBondContact O-CG2 3.49Å; G287-V291 PolarHBondContact O-N 3.4Å; V288-V291 PolarHBondContact O-N 3.32Å; C289-V291 VanDerWaalsContact C-N 3.34Å; C289-V291 PolarHBondContact O-N 2.69Å; V291-T294 PolarHBondContact O-N 3.16Å; V291-F295 WeakPolarHBondContact O-CB 3.34Å; V291-F295 PolarHBondContact O-N 3.48Å
292W95.1Very high93.4Very high61 Ų6144.6 Ų44.623%0.23123%0.231CC..Hα-helixtrans-61.3-49175.1179-93.1000112.3A234 F238 V288 C289 V290 T294 F295 E296A234-W292 HydrophobicContact CB-CH2 4.18Å; A234-W292 HydrophobicContact CB-CZ2 3.81Å; F238-W292 HydrophobicContact CB-CG 4.3Å; F238-W292 HydrophobicContact CD1-CB 4.18Å; F238-W292 HydrophobicContact CD1-CG 4.37Å; F238-W292 HydrophobicContact CD2-CB 4.05Å; F238-W292 AromaticContact CD2-CD1 3.46Å; F238-W292 VanDerWaalsContact CD2-CD1 3.46Å; F238-W292 AromaticContact CD2-CD2 3.55Å; F238-W292 HydrophobicContact CD2-CD2 3.55Å; F238-W292 AromaticContact CD2-CE2 3.73Å; F238-W292 HydrophobicContact CD2-CE3 4.27Å; F238-W292 AromaticContact CD2-CG 3.39Å; F238-W292 HydrophobicContact CD2-CG 3.39Å; F238-W292 AromaticContact CD2-NE1 3.67Å; F238-W292 HydrophobicContact CE1-CB 4.32Å; F238-W292 HydrophobicContact CE2-CB 4.2Å; F238-W292 AromaticContact CE2-CD2 3.51Å; F238-W292 HydrophobicContact CE2-CD2 3.51Å; F238-W292 AromaticContact CE2-CE2 3.98Å; F238-W292 AromaticContact CE2-CE3 3.75Å; F238-W292 HydrophobicContact CE2-CE3 3.75Å; F238-W292 AromaticContact CE2-CG 3.7Å; F238-W292 HydrophobicContact CE2-CG 3.7Å; F238-W292 HydrophobicContact CE2-CZ3 4.38Å; F238-W292 HydrophobicContact CG-CB 4.05Å; F238-W292 AromaticContact CG-CD1 3.74Å; F238-W292 HydrophobicContact CG-CD2 4.4Å; F238-W292 AromaticContact CG-CG 3.77Å; F238-W292 HydrophobicContact CG-CG 3.77Å; F238-W292 HydrophobicContact CZ-CB 4.33Å; F238-W292 HydrophobicContact CZ-CD2 4.33Å; F238-W292 HydrophobicContact CZ-CE3 4.36Å; F238-W292 HydrophobicContact CZ-CG 4.31Å; V288-W292 PolarHBondContact O-N 2.99Å; V288-W292 VanDerWaalsContact O-N 3.12Å; C289-W292 WeakPolarHBondContact O-CB 3.49Å; C289-W292 PolarHBondContact O-N 3.32Å; V290-W292 VanDerWaalsContact C-N 3.32Å; V290-W292 PolarHBondContact O-N 3.43Å; W292-T294 VanDerWaalsContact C-N 3.26Å; W292-T294 PolarHBondContact O-N 2.91Å; W292-F295 WeakPolarHBondContact O-CB 3.34Å; W292-F295 PolarHBondContact O-N 2.88Å; W292-E296 VanDerWaalsContact CD1-OE2 3.25Å; W292-E296 PolarHBondContact NE1-OE2 3.15Å; W292-E296 PolarHBondContact O-N 3.08Å
293F93.8Very high93.4Very high0 Ų045.1 Ų45.10%023%0.233CC..Hα-helixtrans-62.8-34.5178.3-64.8-31.6000113.2F238 I239 C289 V290 F297 I323 K360F238-F293 HydrophobicContact CB-CE1 3.92Å; F238-F293 HydrophobicContact CB-CZ 4.12Å; I239-F293 HydrophobicContact CG1-CE1 3.78Å; I239-F293 HydrophobicContact CG1-CZ 3.9Å; C289-F293 HydrophobicContact CB-CE2 4.17Å; C289-F293 VanDerWaalsContact O-CD2 3.26Å; C289-F293 WeakPolarHBondContact O-CD2 3.34Å; C289-F293 WeakPolarHBondContact O-CG 3.5Å; C289-F293 PolarHBondContact O-N 3.13Å; V290-F293 PolarHBondContact O-N 3.01Å; F293-F297 VanDerWaalsContact O-CB 3.32Å; F293-F297 WeakPolarHBondContact O-CB 3.44Å; F293-F297 PolarHBondContact O-N 3.49Å; F293-I323 HydrophobicContact CB-CG2 3.6Å; F293-K360 HydrophobicContact CD1-CD 4.46Å
294T94.9Very high93.4Very high18 Ų1842.5 Ų42.511%0.1122%0.217CC..Hα-helixtrans-69-43.3176.1-57.10000110.2V290 V291 W292 E296 F297 L298 I323 Y327V290-T294 VanDerWaalsContact O-CB 3.27Å; V290-T294 WeakPolarHBondContact O-CB 3.22Å; V290-T294 PolarHBondContact O-N 3.41Å; V290-T294 PolarHBondContact O-OG1 3.17Å; V291-T294 PolarHBondContact O-N 3.16Å; W292-T294 VanDerWaalsContact C-N 3.26Å; W292-T294 PolarHBondContact O-N 2.91Å; T294-E296 PolarHBondContact O-N 2.97Å; T294-F297 PolarHBondContact O-N 2.85Å; T294-L298 HydrophobicContact CG2-CD1 3.87Å; T294-L298 HydrophobicContact CG2-CG 4.15Å; T294-L298 VanDerWaalsContact O-CB 3.29Å; T294-L298 WeakPolarHBondContact O-CB 3.42Å; T294-L298 WeakPolarHBondContact O-CG 3.22Å; T294-L298 PolarHBondContact O-N 3.44Å; T294-I323 HydrophobicContact CG2-CD1 4.4Å; T294-Y327 HydrophobicContact CG2-CE2 4.23Å; T294-Y327 WeakPolarHBondContact CG2-OH 3.24Å; T294-Y327 VanDerWaalsContact OG1-CE2 3.28Å; T294-Y327 WeakPolarHBondContact OG1-CE2 2.96Å; T294-Y327 PolarHBondContact OG1-OH 2.71Å; T294-Y327 VanDerWaalsContact OG1-OH 3.08Å
295F95Very high93.2Very high98 Ų9836.4 Ų36.443%0.4320%0.199SC..Hα-helixtrans-57.2-49.5172.7168.7-103.1000111.4F219 V291 W292 F297 L298 V299F219-F295 HydrophobicContact CE1-CD1 4.49Å; F219-F295 AromaticContact CE1-CE1 3.93Å; F219-F295 HydrophobicContact CE1-CE1 3.93Å; F219-F295 AromaticContact CZ-CE1 3.74Å; F219-F295 HydrophobicContact CZ-CE1 3.74Å; F219-F295 HydrophobicContact CZ-CZ 4.1Å; V291-F295 WeakPolarHBondContact O-CB 3.34Å; V291-F295 PolarHBondContact O-N 3.48Å; W292-F295 WeakPolarHBondContact O-CB 3.34Å; W292-F295 PolarHBondContact O-N 2.88Å; F295-F297 PolarHBondContact O-N 3.28Å; F295-L298 PolarHBondContact O-N 3.25Å; F295-V299 HydrophobicContact CD2-CG2 4.02Å; F295-V299 HydrophobicContact CE1-CG2 4.32Å; F295-V299 HydrophobicContact CE2-CG2 3.62Å; F295-V299 HydrophobicContact CZ-CG2 3.79Å; F295-V299 WeakPolarHBondContact O-CB 3.44Å; F295-V299 VanDerWaalsContact O-CG2 3.27Å; F295-V299 WeakPolarHBondContact O-CG2 3.29Å; F295-V299 PolarHBondContact O-N 2.93Å
296E93.2Very high93Very high2 Ų237.4 Ų37.41%0.00920%0.203CC..Hα-helixtrans-58.2-47.5176.2-74.4-16874.300112.4F219 S235 W292 T294 L298 V299 R300F219-E296 HydrophobicContact CD1-CG 4.32Å; F219-E296 HydrophobicContact CE1-CG 4.15Å; S235-E296 PolarHBondContact OG-OE1 3.46Å; S235-E296 PolarHBondContact OG-OE2 3.26Å; W292-E296 VanDerWaalsContact CD1-OE2 3.25Å; W292-E296 PolarHBondContact NE1-OE2 3.15Å; W292-E296 PolarHBondContact O-N 3.08Å; T294-E296 PolarHBondContact O-N 2.97Å; E296-L298 PolarHBondContact O-N 3.37Å; E296-V299 PolarHBondContact O-N 2.86Å; E296-R300 WeakPolarHBondContact O-CG 3.43Å; E296-R300 PolarHBondContact O-N 2.93Å; E296-R300 IonicContact OE1-CZ 3.87Å; E296-R300 IonicContact OE1-NH1 2.69Å; E296-R300 PolarHBondContact OE1-NH1 3.46Å; E296-R300 IonicContact OE1-NH2 2.98Å; E296-R300 PolarHBondContact OE1-NH2 3.42Å
297F93Very high93Very high25 Ų2541.3 Ų41.311%0.1122%0.22CC..Hα-helixtrans-62.3-43.5179.2179.3-102000112F293 T294 F295 R300 I301 F310 D319 F320 I323F293-F297 VanDerWaalsContact O-CB 3.32Å; F293-F297 WeakPolarHBondContact O-CB 3.44Å; F293-F297 PolarHBondContact O-N 3.49Å; T294-F297 PolarHBondContact O-N 2.85Å; F295-F297 PolarHBondContact O-N 3.28Å; F297-R300 PolarHBondContact O-N 2.87Å; F297-I301 HydrophobicContact CZ-CD1 4.46Å; F297-I301 WeakPolarHBondContact O-CG2 3.26Å; F297-I301 PolarHBondContact O-N 3.29Å; F297-F310 HydrophobicContact CD2-CE1 4.37Å; F297-F310 HydrophobicContact CD2-CZ 4.33Å; F297-F310 AromaticContact CE2-CE1 3.76Å; F297-F310 HydrophobicContact CE2-CE1 3.76Å; F297-F310 HydrophobicContact CE2-CZ 4.15Å; F297-F310 HydrophobicContact CZ-CE1 4.23Å; F297-D319 HydrophobicContact CD2-CB 3.89Å; F297-D319 HydrophobicContact CE2-CB 4.49Å; F297-F320 HydrophobicContact CE1-CD2 4.01Å; F297-F320 HydrophobicContact CE2-CB 3.89Å; F297-F320 HydrophobicContact CZ-CB 3.89Å; F297-F320 AromaticContact CZ-CD2 3.93Å; F297-F320 HydrophobicContact CZ-CD2 3.93Å; F297-F320 HydrophobicContact CZ-CG 4.31Å; F297-I323 HydrophobicContact CD1-CD1 4.32Å
298L94.5Very high92.9Very high93 Ų9347.2 Ų47.249%0.48725%0.248SC..Hα-helixtrans-65-42.1178.2-73.2176.9000112T294 F295 E296 I301 V302T294-L298 HydrophobicContact CG2-CD1 3.87Å; T294-L298 HydrophobicContact CG2-CG 4.15Å; T294-L298 VanDerWaalsContact O-CB 3.29Å; T294-L298 WeakPolarHBondContact O-CB 3.42Å; T294-L298 WeakPolarHBondContact O-CG 3.22Å; T294-L298 PolarHBondContact O-N 3.44Å; F295-L298 PolarHBondContact O-N 3.25Å; E296-L298 PolarHBondContact O-N 3.37Å; L298-I301 VanDerWaalsContact O-CG2 3.31Å; L298-I301 WeakPolarHBondContact O-CG2 3.46Å; L298-V302 VanDerWaalsContact O-CB 3.28Å; L298-V302 WeakPolarHBondContact O-CB 3.11Å; L298-V302 WeakPolarHBondContact O-CG2 3.21Å; L298-V302 PolarHBondContact O-N 3.14Å
299V93.4Very high92.5Very high15 Ų1546.7 Ų46.79%0.09124%0.24CC..Hα-helixtrans-62.9-46.9175.6172.10000110M215 F219 F295 E296 V302 F303M215-V299 HydrophobicContact CE-CG1 4.2Å; F219-V299 HydrophobicContact CD1-CB 4.48Å; F219-V299 HydrophobicContact CD1-CG1 4.18Å; F219-V299 HydrophobicContact CD2-CG1 3.56Å; F219-V299 HydrophobicContact CE1-CB 4.38Å; F219-V299 HydrophobicContact CE1-CG1 4.22Å; F219-V299 HydrophobicContact CE2-CG1 3.63Å; F219-V299 HydrophobicContact CG-CG1 3.85Å; F219-V299 HydrophobicContact CZ-CB 4.42Å; F219-V299 HydrophobicContact CZ-CG1 3.96Å; F219-V299 HydrophobicContact CZ-CG2 4.42Å; F295-V299 HydrophobicContact CD2-CG2 4.02Å; F295-V299 HydrophobicContact CE1-CG2 4.32Å; F295-V299 HydrophobicContact CE2-CG2 3.62Å; F295-V299 HydrophobicContact CZ-CG2 3.79Å; F295-V299 WeakPolarHBondContact O-CB 3.44Å; F295-V299 VanDerWaalsContact O-CG2 3.27Å; F295-V299 WeakPolarHBondContact O-CG2 3.29Å; F295-V299 PolarHBondContact O-N 2.93Å; E296-V299 PolarHBondContact O-N 2.86Å; V299-V302 PolarHBondContact O-N 3.36Å; V299-F303 HydrophobicContact CB-CD2 4.5Å; V299-F303 HydrophobicContact CG1-CD2 3.66Å; V299-F303 HydrophobicContact CG1-CE2 3.97Å; V299-F303 WeakPolarHBondContact O-CD2 3.44Å; V299-F303 PolarHBondContact O-N 3.2Å
300R91.6Very high92.3Very high5 Ų547 Ų472%0.01924%0.241CC..Hα-helixtrans-60.6-49.6177.9-72.2-178-174.3108.918.3112W216 F219 E220 E296 F297 V302 F303 S304 F310 D319W216-R300 HydrophobicContact CZ3-CB 4.16Å; W216-R300 VanDerWaalsContact CZ3-O 3.26Å; W216-R300 WeakPolarHBondContact CZ3-O 3.47Å; F219-R300 HydrophobicContact CB-CG 4.04Å; F219-R300 PolarHBondContact O-NE 2.86Å; F219-R300 VanDerWaalsContact O-NE 3.15Å; F219-R300 PolarHBondContact O-NH2 2.98Å; E220-R300 IonicContact OE2-NE 2.73Å; E296-R300 WeakPolarHBondContact O-CG 3.43Å; E296-R300 PolarHBondContact O-N 2.93Å; E296-R300 IonicContact OE1-CZ 3.87Å; E296-R300 IonicContact OE1-NH1 2.69Å; E296-R300 PolarHBondContact OE1-NH1 3.46Å; E296-R300 IonicContact OE1-NH2 2.98Å; E296-R300 PolarHBondContact OE1-NH2 3.42Å; F297-R300 PolarHBondContact O-N 2.87Å; R300-V302 VanDerWaalsContact C-N 3.34Å; R300-V302 PolarHBondContact O-N 2.93Å; R300-F303 PolarHBondContact O-N 2.84Å; R300-S304 VanDerWaalsContact O-CB 3.27Å; R300-S304 WeakPolarHBondContact O-CB 3.33Å; R300-S304 PolarHBondContact O-N 3.29Å; R300-F310 HydrophobicContact CB-CE2 3.68Å; R300-F310 HydrophobicContact CB-CZ 3.78Å; R300-D319 IonicContact NH1-OD2 3.27Å; R300-D319 PolarHBondContact NH1-OD2 2.92Å
301I93.1Very high92.1Very high46 Ų4651.6 Ų51.624%0.23627%0.265CS..Hα-helixtrans-64.5-37.4179.7-162.9173.4000111.6F297 L298 K307 F310F297-I301 HydrophobicContact CZ-CD1 4.46Å; F297-I301 WeakPolarHBondContact O-CG2 3.26Å; F297-I301 PolarHBondContact O-N 3.29Å; L298-I301 VanDerWaalsContact O-CG2 3.31Å; L298-I301 WeakPolarHBondContact O-CG2 3.46Å; I301-K307 WeakPolarHBondContact O-CD 3.39Å; I301-K307 WeakPolarHBondContact O-CE 3.29Å; I301-K307 PolarHBondContact O-NZ 2.88Å; I301-F310 HydrophobicContact CB-CD1 4.22Å; I301-F310 HydrophobicContact CB-CE1 3.81Å; I301-F310 HydrophobicContact CB-CZ 4.3Å; I301-F310 HydrophobicContact CD1-CD1 4.47Å; I301-F310 HydrophobicContact CD1-CE1 4.44Å; I301-F310 HydrophobicContact CG1-CD1 3.97Å; I301-F310 HydrophobicContact CG1-CE1 4.02Å
302V93.3Very high91.8Very high72 Ų7255.7 Ų55.744%0.43628%0.275SS..Hα-helixtrans-69.7-41.6179.2169.20000112.1W208 L298 V299 R300 K307W208-V302 HydrophobicContact CH2-CG1 4.2Å; W208-V302 HydrophobicContact CZ3-CG1 4.09Å; L298-V302 VanDerWaalsContact O-CB 3.28Å; L298-V302 WeakPolarHBondContact O-CB 3.11Å; L298-V302 WeakPolarHBondContact O-CG2 3.21Å; L298-V302 PolarHBondContact O-N 3.14Å; V299-V302 PolarHBondContact O-N 3.36Å; R300-V302 VanDerWaalsContact C-N 3.34Å; R300-V302 PolarHBondContact O-N 2.93Å; V302-K307 VanDerWaalsContact C-NZ 3.26Å; V302-K307 PolarHBondContact O-NZ 2.95Å
303F92.3Very high91.3Very high23 Ų2354.9 Ų54.910%0.10128%0.275CS..Hα-helixtrans-93.5-5.6-176.5-64.1-68.6000114.9W208 L211 Q212 M215 W216 V299 R300W208-F303 HydrophobicContact CE3-CE1 4Å; W208-F303 HydrophobicContact CH2-CE1 4.18Å; W208-F303 HydrophobicContact CH2-CZ 4.43Å; W208-F303 HydrophobicContact CZ3-CD1 4.08Å; W208-F303 AromaticContact CZ3-CE1 3.44Å; W208-F303 HydrophobicContact CZ3-CE1 3.44Å; W208-F303 VanDerWaalsContact CZ3-CE1 3.44Å; W208-F303 HydrophobicContact CZ3-CZ 4.11Å; L211-F303 HydrophobicContact CD2-CE1 4.28Å; L211-F303 HydrophobicContact CD2-CZ 4.44Å; L211-F303 HydrophobicContact CG-CE1 4.35Å; Q212-F303 HydrophobicContact CB-CD1 4.38Å; Q212-F303 HydrophobicContact CG-CD1 4.5Å; Q212-F303 VanDerWaalsContact CG-O 3.24Å; Q212-F303 WeakPolarHBondContact CG-O 3.41Å; M215-F303 HydrophobicContact CB-CB 4.2Å; M215-F303 HydrophobicContact CB-CD1 3.94Å; M215-F303 HydrophobicContact CB-CD2 3.66Å; M215-F303 HydrophobicContact CB-CE1 4.18Å; M215-F303 HydrophobicContact CB-CE2 3.96Å; M215-F303 HydrophobicContact CB-CG 3.65Å; M215-F303 HydrophobicContact CB-CZ 4.2Å; M215-F303 HydrophobicContact CE-CE2 4.24Å; M215-F303 HydrophobicContact CG-CD1 4.43Å; M215-F303 HydrophobicContact CG-CD2 4.35Å; M215-F303 HydrophobicContact CG-CE1 4.18Å; M215-F303 HydrophobicContact CG-CE2 4.14Å; M215-F303 HydrophobicContact CG-CG 4.5Å; M215-F303 HydrophobicContact CG-CZ 4.04Å; W216-F303 HydrophobicContact CB-CB 4.36Å; V299-F303 HydrophobicContact CB-CD2 4.5Å; V299-F303 HydrophobicContact CG1-CD2 3.66Å; V299-F303 HydrophobicContact CG1-CE2 3.97Å; V299-F303 WeakPolarHBondContact O-CD2 3.44Å; V299-F303 PolarHBondContact O-N 3.2Å; R300-F303 PolarHBondContact O-N 2.84Å
304S89.2Confident90.9Very high4 Ų460.5 Ų60.53%0.02831%0.305CS..  trans-56.8138.2175.7-179.70000112.7Q212 W216 R300 N306 K307Q212-S304 PolarHBondContact NE2-O 2.96Å; W216-S304 VanDerWaalsContact CZ3-CB 3.43Å; R300-S304 VanDerWaalsContact O-CB 3.27Å; R300-S304 WeakPolarHBondContact O-CB 3.33Å; R300-S304 PolarHBondContact O-N 3.29Å; S304-N306 PolarHBondContact OG-O 3.42Å; S304-K307 PolarHBondContact O-NZ 3.49Å
305P88.4Confident90.3Very high49 Ų4961.7 Ų61.732%0.31831%0.31SS..SBendtrans-63.7-43.9175.324-32.7000112.3I175I175-P305 HydrophobicContact CB-CG 4.03Å; I175-P305 HydrophobicContact CD1-CB 4.07Å; I175-P305 HydrophobicContact CD1-CG 3.91Å; I175-P305 HydrophobicContact CG2-CB 3.73Å; I175-P305 HydrophobicContact CG2-CG 3.68Å
306N90Very high90Very high83 Ų8357.2 Ų57.244%0.44429%0.291SS..  trans-126.1106.1-176.4-82.5-4.9000111.7I175 S304 L308 E309 F310I175-N306 HydrophobicContact CD1-CB 3.77Å; I175-N306 WeakPolarHBondContact CD1-ND2 3.24Å; S304-N306 PolarHBondContact OG-O 3.42Å; N306-L308 PolarHBondContact O-N 3.28Å; N306-E309 HydrophobicContact CB-CB 3.83Å; N306-E309 PolarHBondContact ND2-OE2 2.9Å; N306-E309 PolarHBondContact O-N 3.21Å; N306-F310 WeakPolarHBondContact O-CB 3.33Å; N306-F310 PolarHBondContact O-N 2.93Å
307K90.5Very high89.8Confident82 Ų8260.7 Ų60.736%0.35731%0.308SS..Hα-helixtrans-65.6-36.2-176.2-49.5-50.6-174.9-159.10113.6I301 V302 S304 F310 I311I301-K307 WeakPolarHBondContact O-CD 3.39Å; I301-K307 WeakPolarHBondContact O-CE 3.29Å; I301-K307 PolarHBondContact O-NZ 2.88Å; V302-K307 VanDerWaalsContact C-NZ 3.26Å; V302-K307 PolarHBondContact O-NZ 2.95Å; S304-K307 PolarHBondContact O-NZ 3.49Å; K307-F310 WeakPolarHBondContact O-CB 3.49Å; K307-F310 PolarHBondContact O-N 3.32Å; K307-I311 VanDerWaalsContact O-CG1 3.3Å; K307-I311 WeakPolarHBondContact O-CG1 3.49Å; K307-I311 PolarHBondContact O-N 3.5Å
308L90.5Very high89.6Confident135 Ų13560.5 Ų60.571%0.70731%0.309SS*.Hα-helixtrans-68.2-38.5179-71174.3000112N306 K312N306-L308 PolarHBondContact O-N 3.28Å; L308-K312 VanDerWaalsContact O-CG 3.31Å; L308-K312 WeakPolarHBondContact O-CG 3.34Å; L308-K312 PolarHBondContact O-N 3.03Å; L308-K312 VanDerWaalsContact O-N 3.14Å
309E87.6Confident89.3Confident78 Ų7856.1 Ų56.136%0.36429%0.286SS..Hα-helixtrans-68.9-40.4175-173.4171.8-17500110.7I175 N306 I311 K312 N313I175-E309 WeakPolarHBondContact CD1-OE2 3.16Å; N306-E309 HydrophobicContact CB-CB 3.83Å; N306-E309 PolarHBondContact ND2-OE2 2.9Å; N306-E309 PolarHBondContact O-N 3.21Å; E309-I311 PolarHBondContact O-N 2.86Å; E309-K312 PolarHBondContact O-N 3.06Å; E309-N313 PolarHBondContact O-N 3.44Å; E309-N313 VanDerWaalsContact O-N 3.11Å
310F89.5Confident89.2Confident6 Ų660 Ų603%0.02630%0.301CS..Hα-helixtrans-54.8-51172.3-175.7-92.5000111.9W216 F297 R300 I301 N306 K307 K312 N313 N316W216-F310 AromaticContact CH2-CD2 3.74Å; W216-F310 HydrophobicContact CH2-CD2 3.74Å; W216-F310 HydrophobicContact CH2-CE2 4.02Å; W216-F310 AromaticContact CZ3-CD2 3.96Å; W216-F310 HydrophobicContact CZ3-CD2 3.96Å; W216-F310 HydrophobicContact CZ3-CE2 4.01Å; F297-F310 HydrophobicContact CD2-CE1 4.37Å; F297-F310 HydrophobicContact CD2-CZ 4.33Å; F297-F310 AromaticContact CE2-CE1 3.76Å; F297-F310 HydrophobicContact CE2-CE1 3.76Å; F297-F310 HydrophobicContact CE2-CZ 4.15Å; F297-F310 HydrophobicContact CZ-CE1 4.23Å; R300-F310 HydrophobicContact CB-CE2 3.68Å; R300-F310 HydrophobicContact CB-CZ 3.78Å; I301-F310 HydrophobicContact CB-CD1 4.22Å; I301-F310 HydrophobicContact CB-CE1 3.81Å; I301-F310 HydrophobicContact CB-CZ 4.3Å; I301-F310 HydrophobicContact CD1-CD1 4.47Å; I301-F310 HydrophobicContact CD1-CE1 4.44Å; I301-F310 HydrophobicContact CG1-CD1 3.97Å; I301-F310 HydrophobicContact CG1-CE1 4.02Å; N306-F310 WeakPolarHBondContact O-CB 3.33Å; N306-F310 PolarHBondContact O-N 2.93Å; K307-F310 WeakPolarHBondContact O-CB 3.49Å; K307-F310 PolarHBondContact O-N 3.32Å; F310-K312 VanDerWaalsContact C-N 3.29Å; F310-K312 PolarHBondContact O-N 3.47Å; F310-N313 PolarHBondContact O-N 2.89Å; F310-N316 HydrophobicContact CD1-CB 4.22Å; F310-N316 HydrophobicContact CD2-CB 4.45Å; F310-N316 WeakPolarHBondContact CD2-ND2 3.41Å; F310-N316 HydrophobicContact CE1-CB 3.9Å; F310-N316 HydrophobicContact CE2-CB 4.13Å; F310-N316 VanDerWaalsContact CE2-ND2 3.26Å; F310-N316 WeakPolarHBondContact CE2-ND2 3.49Å; F310-N316 WeakPolarHBondContact CE2-OD1 3.02Å; F310-N316 HydrophobicContact CG-CB 4.48Å; F310-N316 WeakPolarHBondContact CG-ND2 3.25Å; F310-N316 HydrophobicContact CZ-CB 3.85Å; F310-N316 VanDerWaalsContact CZ-CG 3.46Å; F310-N316 WeakPolarHBondContact CZ-OD1 3.5Å; F310-N316 WeakPolarHBondContact O-CB 3.48Å; F310-N316 PolarHBondContact O-ND2 3.32Å
311I90.4Very high89.1Confident99 Ų9961.8 Ų61.851%0.50831%0.313SS..Hα-helixtrans-67.2-29.3-178.2-66.9165.4000112.1K307 E309 I317K307-I311 VanDerWaalsContact O-CG1 3.3Å; K307-I311 WeakPolarHBondContact O-CG1 3.49Å; K307-I311 PolarHBondContact O-N 3.5Å; E309-I311 PolarHBondContact O-N 2.86Å; I311-I317 VanDerWaalsContact O-CG1 3.29Å; I311-I317 WeakPolarHBondContact O-CG1 3.2Å
312K88.8Confident88.9Confident175 Ų17559.7 Ų59.776%0.76130%0.302SS*.Hα-helixtrans-79.4-18.6177.9-74.8177.7177.8-176.90113.9L308 E309 F310 L314L308-K312 VanDerWaalsContact O-CG 3.31Å; L308-K312 WeakPolarHBondContact O-CG 3.34Å; L308-K312 PolarHBondContact O-N 3.03Å; L308-K312 VanDerWaalsContact O-N 3.14Å; E309-K312 PolarHBondContact O-N 3.06Å; F310-K312 VanDerWaalsContact C-N 3.29Å; F310-K312 PolarHBondContact O-N 3.47Å; K312-L314 PolarHBondContact O-N 3.43Å
313N84.4Confident88.7Confident44 Ų4456.7 Ų56.724%0.23528%0.284CS..SBendtrans-73.5124.7-178.4-176.7-18.7000110.8E309 F310 L315 N316 I317E309-N313 PolarHBondContact O-N 3.44Å; E309-N313 VanDerWaalsContact O-N 3.11Å; F310-N313 PolarHBondContact O-N 2.89Å; N313-L315 PolarHBondContact O-N 3.26Å; N313-L315 PolarHBondContact OD1-N 3.46Å; N313-L315 VanDerWaalsContact OD1-N 3.12Å; N313-N316 HydrophobicContact CB-CB 4.47Å; N313-N316 WeakPolarHBondContact CB-ND2 3.34Å; N313-N316 PolarHBondContact O-N 2.94Å; N313-I317 PolarHBondContact O-N 3.31Å; N313-I317 VanDerWaalsContact O-N 3.09Å
314L84.7Confident88.6Confident119 Ų11958.6 Ų58.662%0.62330%0.295SS*.Hα-helixtrans-52.8-39.7-177.5-177.665.2000112.8K312 N316 I317 I318K312-L314 PolarHBondContact O-N 3.43Å; L314-N316 VanDerWaalsContact C-N 3.32Å; L314-N316 PolarHBondContact O-N 2.96Å; L314-I317 PolarHBondContact O-N 2.82Å; L314-I318 HydrophobicContact CG-CD1 4.2Å; L314-I318 WeakPolarHBondContact O-CG1 3.29Å; L314-I318 PolarHBondContact O-N 3.31Å
315L83.3Confident88.5Confident42 Ų4258.7 Ų58.722%0.2230%0.295CS..Hα-helixtrans-65.5-36.6-179.9-60.8-177000111.8N313 D319 T362 R363N313-L315 PolarHBondContact O-N 3.26Å; N313-L315 PolarHBondContact OD1-N 3.46Å; N313-L315 VanDerWaalsContact OD1-N 3.12Å; L315-D319 PolarHBondContact O-N 2.87Å; L315-D319 VanDerWaalsContact O-N 3.13Å; L315-D319 VanDerWaalsContact O-OD1 3.06Å; L315-T362 WeakPolarHBondContact CD2-OG1 3.48Å; L315-R363 HydrophobicContact CD1-CG 4.21Å; L315-R363 PolarHBondContact O-NH2 3.5Å
316N88.7Confident88.5Confident5 Ų557.8 Ų57.83%0.02729%0.286CS..Hα-helixtrans-75.3-32.4178.3-63.1-34000111.9F310 N313 L314 D319 F320 R363F310-N316 HydrophobicContact CD1-CB 4.22Å; F310-N316 HydrophobicContact CD2-CB 4.45Å; F310-N316 WeakPolarHBondContact CD2-ND2 3.41Å; F310-N316 HydrophobicContact CE1-CB 3.9Å; F310-N316 HydrophobicContact CE2-CB 4.13Å; F310-N316 VanDerWaalsContact CE2-ND2 3.26Å; F310-N316 WeakPolarHBondContact CE2-ND2 3.49Å; F310-N316 WeakPolarHBondContact CE2-OD1 3.02Å; F310-N316 HydrophobicContact CG-CB 4.48Å; F310-N316 WeakPolarHBondContact CG-ND2 3.25Å; F310-N316 HydrophobicContact CZ-CB 3.85Å; F310-N316 VanDerWaalsContact CZ-CG 3.46Å; F310-N316 WeakPolarHBondContact CZ-OD1 3.5Å; F310-N316 WeakPolarHBondContact O-CB 3.48Å; F310-N316 PolarHBondContact O-ND2 3.32Å; N313-N316 HydrophobicContact CB-CB 4.47Å; N313-N316 WeakPolarHBondContact CB-ND2 3.34Å; N313-N316 PolarHBondContact O-N 2.94Å; L314-N316 VanDerWaalsContact C-N 3.32Å; L314-N316 PolarHBondContact O-N 2.96Å; N316-D319 WeakPolarHBondContact O-CB 3.27Å; N316-D319 PolarHBondContact O-N 3.48Å; N316-F320 PolarHBondContact O-N 2.91Å; N316-F320 VanDerWaalsContact O-N 3.14Å; N316-R363 VanDerWaalsContact OD1-CZ 3.29Å; N316-R363 PolarHBondContact OD1-NH1 3.49Å; N316-R363 PolarHBondContact OD1-NH2 3.19Å
317I89.1Confident88.5Confident74 Ų7458.7 Ų58.738%0.37928%0.284SS..Hα-helixtrans-63.2-45.7172.6-63.9171000109.9I311 N313 L314 D319 F320 V321I311-I317 VanDerWaalsContact O-CG1 3.29Å; I311-I317 WeakPolarHBondContact O-CG1 3.2Å; N313-I317 PolarHBondContact O-N 3.31Å; N313-I317 VanDerWaalsContact O-N 3.09Å; L314-I317 PolarHBondContact O-N 2.82Å; I317-D319 VanDerWaalsContact C-N 3.29Å; I317-D319 PolarHBondContact O-N 3.5Å; I317-F320 PolarHBondContact O-N 3.17Å; I317-V321 HydrophobicContact CG2-CG2 4.16Å; I317-V321 WeakPolarHBondContact O-CB 3.15Å; I317-V321 WeakPolarHBondContact O-CG2 3.32Å; I317-V321 PolarHBondContact O-N 3.34Å
318I88.1Confident88.4Confident22 Ų2258.1 Ų58.111%0.11328%0.284CS..Hα-helixtrans-58.4-42.9175.5-69.8168000110.7L314 F320 V321 A322 L356 F359L314-I318 HydrophobicContact CG-CD1 4.2Å; L314-I318 WeakPolarHBondContact O-CG1 3.29Å; L314-I318 PolarHBondContact O-N 3.31Å; I318-F320 VanDerWaalsContact C-N 3.3Å; I318-F320 PolarHBondContact O-N 3.49Å; I318-V321 PolarHBondContact O-N 3.25Å; I318-A322 VanDerWaalsContact O-CB 3.29Å; I318-A322 WeakPolarHBondContact O-CB 3.31Å; I318-A322 PolarHBondContact O-N 3.37Å; I318-L356 HydrophobicContact CG2-CB 4.31Å; I318-L356 WeakPolarHBondContact CG2-O 3.43Å; I318-F359 HydrophobicContact CD1-CB 3.95Å; I318-F359 HydrophobicContact CD1-CG 4.41Å; I318-F359 HydrophobicContact CG2-CB 4.04Å
319D89Confident88.1Confident1 Ų154 Ų541%0.00526%0.262CS..Hα-helixtrans-58.3-42177.6-75.517.2000112.8F297 R300 L315 N316 I317 K360 R363F297-D319 HydrophobicContact CD2-CB 3.89Å; F297-D319 HydrophobicContact CE2-CB 4.49Å; R300-D319 IonicContact NH1-OD2 3.27Å; R300-D319 PolarHBondContact NH1-OD2 2.92Å; L315-D319 PolarHBondContact O-N 2.87Å; L315-D319 VanDerWaalsContact O-N 3.13Å; L315-D319 VanDerWaalsContact O-OD1 3.06Å; N316-D319 WeakPolarHBondContact O-CB 3.27Å; N316-D319 PolarHBondContact O-N 3.48Å; I317-D319 VanDerWaalsContact C-N 3.29Å; I317-D319 PolarHBondContact O-N 3.5Å; D319-K360 WeakPolarHBondContact OD1-CE 3.15Å; D319-K360 VanDerWaalsContact OD1-CG 3.29Å; D319-K360 WeakPolarHBondContact OD1-CG 3.38Å; D319-R363 VanDerWaalsContact CG-NH2 3.28Å; D319-R363 IonicContact OD1-NE 3.63Å; D319-R363 IonicContact OD1-NH2 3.94Å; D319-R363 PolarHBondContact OD1-NH2 3.25Å; D319-R363 IonicContact OD2-CZ 3.58Å; D319-R363 IonicContact OD2-NE 3.87Å; D319-R363 IonicContact OD2-NH2 3.73Å; D319-R363 PolarHBondContact OD2-NH2 3.45Å
320F91.2Very high88Confident95 Ų9554.2 Ų54.242%0.41727%0.268SS..Hα-helixtrans-70.2-48.6178.1176.1-104.3000112.2F297 N316 I317 I318 A322 I323 L324F297-F320 HydrophobicContact CE1-CD2 4.01Å; F297-F320 HydrophobicContact CE2-CB 3.89Å; F297-F320 HydrophobicContact CZ-CB 3.89Å; F297-F320 AromaticContact CZ-CD2 3.93Å; F297-F320 HydrophobicContact CZ-CD2 3.93Å; F297-F320 HydrophobicContact CZ-CG 4.31Å; N316-F320 PolarHBondContact O-N 2.91Å; N316-F320 VanDerWaalsContact O-N 3.14Å; I317-F320 PolarHBondContact O-N 3.17Å; I318-F320 VanDerWaalsContact C-N 3.3Å; I318-F320 PolarHBondContact O-N 3.49Å; F320-A322 PolarHBondContact O-N 2.92Å; F320-I323 WeakPolarHBondContact O-CG1 3.47Å; F320-I323 PolarHBondContact O-N 3.2Å; F320-L324 HydrophobicContact CE1-CD2 4.31Å; F320-L324 HydrophobicContact CZ-CD1 4.28Å; F320-L324 PolarHBondContact O-N 3.18Å
321V89.9Confident87.9Confident43 Ų4356.2 Ų56.226%0.26129%0.29SS..Hα-helixtrans-62.1-30.6-180171.70000111.3I317 I318 I323 P325 V353 L356I317-V321 HydrophobicContact CG2-CG2 4.16Å; I317-V321 WeakPolarHBondContact O-CB 3.15Å; I317-V321 WeakPolarHBondContact O-CG2 3.32Å; I317-V321 PolarHBondContact O-N 3.34Å; I318-V321 PolarHBondContact O-N 3.25Å; V321-I323 PolarHBondContact O-N 3.21Å; V321-P325 WeakPolarHBondContact O-CD 3.48Å; V321-V353 HydrophobicContact CG1-CG1 3.3Å; V321-L356 HydrophobicContact CG1-CD1 3.9Å
322A88.2Confident87.7Confident2 Ų253.4 Ų53.42%0.01728%0.276CS..Hα-helixtrans-69-28.8177.800000114.4I318 F320 R357I318-A322 VanDerWaalsContact O-CB 3.29Å; I318-A322 WeakPolarHBondContact O-CB 3.31Å; I318-A322 PolarHBondContact O-N 3.37Å; F320-A322 PolarHBondContact O-N 2.92Å; A322-R357 HydrophobicContact CB-CB 4.11Å
323I90.2Very high87.3Confident10 Ų1049 Ų495%0.05127%0.267CS..Hα-helixtrans-92.9-23.9179.460.3170.5000112.9V290 F293 T294 F297 F320 V321 F326 Y327V290-I323 HydrophobicContact CG1-CB 4.22Å; V290-I323 HydrophobicContact CG1-CG2 4.31Å; F293-I323 HydrophobicContact CB-CG2 3.6Å; T294-I323 HydrophobicContact CG2-CD1 4.4Å; F297-I323 HydrophobicContact CD1-CD1 4.32Å; F320-I323 WeakPolarHBondContact O-CG1 3.47Å; F320-I323 PolarHBondContact O-N 3.2Å; V321-I323 PolarHBondContact O-N 3.21Å; I323-F326 PolarHBondContact O-N 3.14Å; I323-Y327 HydrophobicContact CB-CD2 4.44Å; I323-Y327 HydrophobicContact CB-CE2 4.33Å; I323-Y327 HydrophobicContact CD1-CE2 4.47Å; I323-Y327 WeakPolarHBondContact O-CD2 3.29Å
324L89.4Confident86.9Confident63 Ų6350.3 Ų50.333%0.3329%0.292SS..Hα-helixtrans-58.1-46.1-172.1-179.468.2000114.1F320 F326 Y327 L328F320-L324 HydrophobicContact CE1-CD2 4.31Å; F320-L324 HydrophobicContact CZ-CD1 4.28Å; F320-L324 PolarHBondContact O-N 3.18Å; L324-F326 VanDerWaalsContact C-N 3.29Å; L324-F326 PolarHBondContact O-N 3.05Å; L324-Y327 PolarHBondContact O-N 3.26Å; L324-L328 HydrophobicContact CD1-CD1 3.97Å; L324-L328 HydrophobicContact CD1-CD2 4.24Å; L324-L328 HydrophobicContact CD1-CG 3.86Å; L324-L328 HydrophobicContact CD2-CD1 4.21Å; L324-L328 HydrophobicContact CG-CD1 3.72Å; L324-L328 HydrophobicContact CG-CG 4.04Å; L324-L328 WeakPolarHBondContact O-CG 3.29Å; L324-L328 PolarHBondContact O-N 3.24Å
325P86.1Confident86.8Confident5 Ų549.1 Ų49.13%0.03229%0.285CS..Hα-helixtrans-58.9-37.7-176.9-26.735.3000113.7V321 E329 V350V321-P325 WeakPolarHBondContact O-CD 3.48Å; P325-E329 VanDerWaalsContact O-CB 3.3Å; P325-E329 WeakPolarHBondContact O-CB 3.45Å; P325-E329 PolarHBondContact O-N 3.45Å; P325-V350 HydrophobicContact CG-CG1 4.36Å
326F88.6Confident86.4Confident30 Ų3052.4 Ų52.413%0.13231%0.312CS..Hα-helixtrans-66.4-46.4179.7-178.6-89.8000111.5E286 V290 I323 L324 L328 E329 V330E286-F326 HydrophobicContact CG-CD2 4.09Å; E286-F326 HydrophobicContact CG-CE2 4.46Å; V290-F326 HydrophobicContact CB-CB 4.45Å; V290-F326 HydrophobicContact CB-CD1 4.12Å; V290-F326 HydrophobicContact CB-CG 4.2Å; V290-F326 HydrophobicContact CG1-CB 4.1Å; V290-F326 HydrophobicContact CG1-CD1 3.75Å; V290-F326 HydrophobicContact CG1-CG 4.08Å; V290-F326 HydrophobicContact CG2-CB 3.85Å; V290-F326 HydrophobicContact CG2-CD1 4.33Å; V290-F326 HydrophobicContact CG2-CD2 4.27Å; V290-F326 HydrophobicContact CG2-CG 3.9Å; I323-F326 PolarHBondContact O-N 3.14Å; L324-F326 VanDerWaalsContact C-N 3.29Å; L324-F326 PolarHBondContact O-N 3.05Å; F326-L328 PolarHBondContact O-N 3Å; F326-E329 PolarHBondContact O-N 3.32Å; F326-V330 HydrophobicContact CD1-CG2 4.2Å; F326-V330 HydrophobicContact CE1-CG2 3.8Å; F326-V330 HydrophobicContact CE2-CG2 4.45Å; F326-V330 HydrophobicContact CZ-CG2 3.93Å; F326-V330 WeakPolarHBondContact O-CG2 3.49Å; F326-V330 PolarHBondContact O-N 3.44Å
327Y90.5Very high86.1Confident102 Ų10254.9 Ų54.940%0.433%0.329SS..Hα-helixtrans-66.8-36.4177.8-74.9-68.4000113V290 T294 I323 L324 G331V290-Y327 HydrophobicContact CG1-CD2 4.26Å; V290-Y327 HydrophobicContact CG1-CE2 3.66Å; T294-Y327 HydrophobicContact CG2-CE2 4.23Å; T294-Y327 WeakPolarHBondContact CG2-OH 3.24Å; T294-Y327 VanDerWaalsContact OG1-CE2 3.28Å; T294-Y327 WeakPolarHBondContact OG1-CE2 2.96Å; T294-Y327 PolarHBondContact OG1-OH 2.71Å; T294-Y327 VanDerWaalsContact OG1-OH 3.08Å; I323-Y327 HydrophobicContact CB-CD2 4.44Å; I323-Y327 HydrophobicContact CB-CE2 4.33Å; I323-Y327 HydrophobicContact CD1-CE2 4.47Å; I323-Y327 WeakPolarHBondContact O-CD2 3.29Å; L324-Y327 PolarHBondContact O-N 3.26Å; Y327-G331 PolarHBondContact O-N 3.41Å
328L87.6Confident85.8Confident70 Ų7058.3 Ų58.337%0.36634%0.342SS..Hα-helixtrans-65.9-41.8174.4-68.6179.5000111.4L324 F326 L332 L347L324-L328 HydrophobicContact CD1-CD1 3.97Å; L324-L328 HydrophobicContact CD1-CD2 4.24Å; L324-L328 HydrophobicContact CD1-CG 3.86Å; L324-L328 HydrophobicContact CD2-CD1 4.21Å; L324-L328 HydrophobicContact CG-CD1 3.72Å; L324-L328 HydrophobicContact CG-CG 4.04Å; L324-L328 WeakPolarHBondContact O-CG 3.29Å; L324-L328 PolarHBondContact O-N 3.24Å; F326-L328 PolarHBondContact O-N 3Å; L328-L332 VanDerWaalsContact O-CB 3.24Å; L328-L332 WeakPolarHBondContact O-CB 3.05Å; L328-L332 WeakPolarHBondContact O-CG 3.49Å; L328-L332 PolarHBondContact O-N 2.85Å; L328-L347 HydrophobicContact CB-CD1 3.61Å; L328-L347 HydrophobicContact CB-CD2 4.04Å; L328-L347 HydrophobicContact CD1-CD2 3.82Å
329E84.1Confident85.6Confident50 Ų5060.3 Ų60.323%0.23436%0.361CS..Hα-helixtrans-63.1-49.2177.3-176.4169-170.900111.6P325 F326 S333 L344 R351 R354P325-E329 VanDerWaalsContact O-CB 3.3Å; P325-E329 WeakPolarHBondContact O-CB 3.45Å; P325-E329 PolarHBondContact O-N 3.45Å; F326-E329 PolarHBondContact O-N 3.32Å; E329-S333 WeakPolarHBondContact O-CB 3.38Å; E329-S333 PolarHBondContact O-N 3Å; E329-L344 HydrophobicContact CG-CD2 4.31Å; E329-R351 IonicContact OE1-CZ 3.82Å; E329-R351 IonicContact OE1-NE 3.36Å; E329-R351 IonicContact OE1-NH2 3.53Å; E329-R351 PolarHBondContact OE1-NH2 2.93Å; E329-R351 IonicContact OE2-NE 3.24Å; E329-R351 IonicContact OE2-NH2 2.68Å; E329-R354 IonicContact OE2-NH2 3.09Å; E329-R354 PolarHBondContact OE2-NH2 3.47Å
330V87Confident85.2Confident81 Ų8160.5 Ų60.549%0.49136%0.363SS..Hα-helixtrans-63.2-46.5177.2173.80000111.1F326 L332 S333F326-V330 HydrophobicContact CD1-CG2 4.2Å; F326-V330 HydrophobicContact CE1-CG2 3.8Å; F326-V330 HydrophobicContact CE2-CG2 4.45Å; F326-V330 HydrophobicContact CZ-CG2 3.93Å; F326-V330 WeakPolarHBondContact O-CG2 3.49Å; F326-V330 PolarHBondContact O-N 3.44Å; V330-L332 PolarHBondContact O-N 3.14Å; V330-S333 PolarHBondContact O-N 3.31Å; V330-S333 PolarHBondContact O-OG 3.19Å
331G86.6Confident84.8Confident48 Ų4860.9 Ų60.950%0.49537%0.365SS..Hα-helixtrans-64.5-36.9-178.400000113.5Y327 L335Y327-G331 PolarHBondContact O-N 3.41Å; G331-L335 WeakPolarHBondContact O-CD1 3.35Å
332L85.5Confident84.5Confident40 Ų4063 Ų6321%0.20938%0.375CS..Hα-helixtrans-83-24.1179.4-67.1174.2000113.5L328 V330 G334 L335 V343 L344 L347L328-L332 VanDerWaalsContact O-CB 3.24Å; L328-L332 WeakPolarHBondContact O-CB 3.05Å; L328-L332 WeakPolarHBondContact O-CG 3.49Å; L328-L332 PolarHBondContact O-N 2.85Å; V330-L332 PolarHBondContact O-N 3.14Å; L332-G334 PolarHBondContact O-N 2.95Å; L332-G334 VanDerWaalsContact O-N 3.11Å; L332-L335 HydrophobicContact CD2-CD1 4.03Å; L332-L335 PolarHBondContact O-N 3.15Å; L332-V343 HydrophobicContact CD1-CB 4.05Å; L332-V343 HydrophobicContact CD1-CG1 3.36Å; L332-L344 HydrophobicContact CB-CD1 4.45Å; L332-L344 HydrophobicContact CB-CD2 3.74Å; L332-L344 HydrophobicContact CB-CG 3.94Å; L332-L347 HydrophobicContact CD1-CD1 3.61Å
333S81Confident84.2Confident83 Ų8366.2 Ų66.258%0.5839%0.394SS*.Hα-helixtrans-58.2-25.1-179.769.40000114.2E329 V330E329-S333 WeakPolarHBondContact O-CB 3.38Å; E329-S333 PolarHBondContact O-N 3Å; V330-S333 PolarHBondContact O-N 3.31Å; V330-S333 PolarHBondContact O-OG 3.19Å
334G75.9Confident83.7Confident72 Ų7267.9 Ų67.974%0.74240%0.403SS*.THydrogen-bonded Turntrans-83.2-11.317600000115L332L332-G334 PolarHBondContact O-N 2.95Å; L332-G334 VanDerWaalsContact O-N 3.11Å
335L83.4Confident83.2Confident94 Ų9466.7 Ų66.749%0.49241%0.405SS..  trans-92.1116.1179.2-70.7115.7000110.1G331 L332 S337 A340G331-L335 WeakPolarHBondContact O-CD1 3.35Å; L332-L335 HydrophobicContact CD2-CD1 4.03Å; L332-L335 PolarHBondContact O-N 3.15Å; L335-S337 PolarHBondContact O-N 3.48Å; L335-A340 HydrophobicContact CB-CB 3.59Å; L335-A340 VanDerWaalsContact O-CB 3.3Å; L335-A340 WeakPolarHBondContact O-CB 3.35Å
336S75.3Confident83Confident110 Ų11072.8 Ų72.877%0.76943%0.431SS*.  trans-78.52.1-179.6-165.70000113.9
337S82.4Confident82.5Confident57 Ų5771.9 Ų71.940%0.39943%0.428SS..SBendtrans-70.1148.1-175.175.20000111.9L335 A339 A340 K341L335-S337 PolarHBondContact O-N 3.48Å; S337-A339 PolarHBondContact O-N 2.97Å; S337-A340 WeakPolarHBondContact O-CB 3.32Å; S337-A340 PolarHBondContact O-N 3.11Å; S337-A340 WeakPolarHBondContact OG-CB 3.16Å; S337-A340 PolarHBondContact OG-N 3.02Å; S337-A340 VanDerWaalsContact OG-N 3.14Å; S337-K341 PolarHBondContact O-N 3.23Å; S337-K341 VanDerWaalsContact O-N 3.1Å
338K81.3Confident81.7Confident147 Ų14772.6 Ų72.664%0.63943%0.43SS*.Hα-helixtrans-55.3-39.8175.6-179.854.9178.8148.60111.8A340 K341 D342K338-A340 PolarHBondContact O-N 3.28Å; K338-K341 PolarHBondContact O-N 2.6Å; K338-D342 WeakPolarHBondContact CE-OD1 3.26Å; K338-D342 IonicContact NZ-OD1 3.8Å; K338-D342 PolarHBondContact NZ-OD1 3.36Å; K338-D342 IonicContact NZ-OD2 3.77Å; K338-D342 PolarHBondContact O-N 3.04Å
339A83.6Confident81.2Confident64 Ų6473.7 Ų73.753%0.52944%0.439SS..Hα-helixtrans-60.5-42.2174.300000112.6S337 D342 V343S337-A339 PolarHBondContact O-N 2.97Å; A339-D342 PolarHBondContact O-N 3.41Å; A339-V343 VanDerWaalsContact O-CG2 3.29Å; A339-V343 WeakPolarHBondContact O-CG2 3.45Å; A339-V343 PolarHBondContact O-N 3.11Å
340A82.4Confident81.1Confident5 Ų572.8 Ų72.84%0.04144%0.437CS..Hα-helixtrans-64.1-41.317700000111.9L335 S337 K338 D342 V343 L344L335-A340 HydrophobicContact CB-CB 3.59Å; L335-A340 VanDerWaalsContact O-CB 3.3Å; L335-A340 WeakPolarHBondContact O-CB 3.35Å; S337-A340 WeakPolarHBondContact O-CB 3.32Å; S337-A340 PolarHBondContact O-N 3.11Å; S337-A340 WeakPolarHBondContact OG-CB 3.16Å; S337-A340 PolarHBondContact OG-N 3.02Å; S337-A340 VanDerWaalsContact OG-N 3.14Å; K338-A340 PolarHBondContact O-N 3.28Å; A340-D342 PolarHBondContact O-N 3.22Å; A340-V343 PolarHBondContact O-N 2.91Å; A340-L344 WeakPolarHBondContact O-CB 3.45Å; A340-L344 WeakPolarHBondContact O-CG 3.17Å; A340-L344 PolarHBondContact O-N 2.9Å
341K81.1Confident80.7Confident103 Ų10370.7 Ų70.745%0.44842%0.42SS..Hα-helixtrans-60-43174.1-67.6-174.5177.8-1750112.3E262 S337 K338 L344 G345E262-K341 IonicContact OE1-NZ 3.16Å; S337-K341 PolarHBondContact O-N 3.23Å; S337-K341 VanDerWaalsContact O-N 3.1Å; K338-K341 PolarHBondContact O-N 2.6Å; K341-L344 PolarHBondContact O-N 3.44Å; K341-G345 PolarHBondContact O-N 3.33Å
342D83.5Confident80.5Confident88 Ų8874.4 Ų74.447%0.47142%0.423SS..Hα-helixtrans-68.3-39.9179.8-64.4-14.7000111.5K338 A339 A340 G345 F346K338-D342 WeakPolarHBondContact CE-OD1 3.26Å; K338-D342 IonicContact NZ-OD1 3.8Å; K338-D342 PolarHBondContact NZ-OD1 3.36Å; K338-D342 IonicContact NZ-OD2 3.77Å; K338-D342 PolarHBondContact O-N 3.04Å; A339-D342 PolarHBondContact O-N 3.41Å; A340-D342 PolarHBondContact O-N 3.22Å; D342-G345 PolarHBondContact O-N 3.49Å; D342-F346 PolarHBondContact O-N 2.84Å
343V82.6Confident80.5Confident69 Ų6973.6 Ų73.642%0.41842%0.42SS..Hα-helixtrans-66.8-40.5174.5178.70000111.4L332 A339 A340 G345 F346 L347L332-V343 HydrophobicContact CD1-CB 4.05Å; L332-V343 HydrophobicContact CD1-CG1 3.36Å; A339-V343 VanDerWaalsContact O-CG2 3.29Å; A339-V343 WeakPolarHBondContact O-CG2 3.45Å; A339-V343 PolarHBondContact O-N 3.11Å; A340-V343 PolarHBondContact O-N 2.91Å; V343-G345 VanDerWaalsContact C-N 3.27Å; V343-G345 PolarHBondContact O-N 3.49Å; V343-F346 PolarHBondContact O-N 3.48Å; V343-F346 VanDerWaalsContact O-N 3.15Å; V343-L347 HydrophobicContact CG1-CD1 4.28Å; V343-L347 HydrophobicContact CG1-CG 4.32Å; V343-L347 WeakPolarHBondContact O-CG 3.47Å; V343-L347 PolarHBondContact O-N 3.06Å
344L80.8Confident80.5Confident45 Ų4569.9 Ų69.924%0.23639%0.393CS..Hα-helixtrans-59.3-39.3173.1-75.5166.8000111.5E329 L332 A340 K341 L347 R348E329-L344 HydrophobicContact CG-CD2 4.31Å; L332-L344 HydrophobicContact CB-CD1 4.45Å; L332-L344 HydrophobicContact CB-CD2 3.74Å; L332-L344 HydrophobicContact CB-CG 3.94Å; A340-L344 WeakPolarHBondContact O-CB 3.45Å; A340-L344 WeakPolarHBondContact O-CG 3.17Å; A340-L344 PolarHBondContact O-N 2.9Å; K341-L344 PolarHBondContact O-N 3.44Å; L344-L347 PolarHBondContact O-N 2.91Å; L344-R348 PolarHBondContact O-N 3.1Å; L344-R348 VanDerWaalsContact O-N 3.1Å
345G77.3Confident80.9Confident37 Ų3770.7 Ų70.738%0.38138%0.379SS..Hα-helixtrans-61-44.4172.300000112.8K341 D342 V343 R348K341-G345 PolarHBondContact O-N 3.33Å; D342-G345 PolarHBondContact O-N 3.49Å; V343-G345 VanDerWaalsContact C-N 3.27Å; V343-G345 PolarHBondContact O-N 3.49Å; G345-R348 VanDerWaalsContact O-CB 3.27Å; G345-R348 WeakPolarHBondContact O-CB 3.35Å; G345-R348 PolarHBondContact O-N 2.99Å
346F81.7Confident81Confident134 Ų13468.7 Ų68.759%0.58837%0.369SS*.Hα-helixtrans-65.4-41.3174.7-178.8-102000112.5D342 V343 R348 V349 V350D342-F346 PolarHBondContact O-N 2.84Å; V343-F346 PolarHBondContact O-N 3.48Å; V343-F346 VanDerWaalsContact O-N 3.15Å; F346-R348 PolarHBondContact O-N 2.95Å; F346-V349 WeakPolarHBondContact O-CA 3.3Å; F346-V349 WeakPolarHBondContact O-CB 3.21Å; F346-V349 PolarHBondContact O-N 2.72Å; F346-V350 HydrophobicContact CD1-CG2 3.85Å; F346-V350 HydrophobicContact CE1-CG2 3.46Å; F346-V350 VanDerWaalsContact CE1-CG2 3.46Å; F346-V350 HydrophobicContact CZ-CG2 3.89Å; F346-V350 PolarHBondContact O-N 3.08Å
347L78.9Confident81.4Confident11 Ų1163.5 Ų63.56%0.05833%0.332CS..Hα-helixtrans-60.9-29.4176.4-72.7175.1000112.5L328 L332 V343 L344 V349 V350 R351L328-L347 HydrophobicContact CB-CD1 3.61Å; L328-L347 HydrophobicContact CB-CD2 4.04Å; L328-L347 HydrophobicContact CD1-CD2 3.82Å; L332-L347 HydrophobicContact CD1-CD1 3.61Å; V343-L347 HydrophobicContact CG1-CD1 4.28Å; V343-L347 HydrophobicContact CG1-CG 4.32Å; V343-L347 WeakPolarHBondContact O-CG 3.47Å; V343-L347 PolarHBondContact O-N 3.06Å; L344-L347 PolarHBondContact O-N 2.91Å; L347-V349 VanDerWaalsContact C-N 3.29Å; L347-V349 PolarHBondContact O-N 3.24Å; L347-V350 CarbonylContact O-C 3.54Å; L347-V350 PolarHBondContact O-N 3.39Å; L347-R351 PolarHBondContact O-N 3.34Å
348R74.5Confident81.6Confident116 Ų11664.4 Ų64.444%0.43833%0.332SS..Hα-helixtrans-60-39.8171.5-163.5178.9-68.4178.2-0.2111.6E275 L344 G345 F346 R351E275-R348 IonicContact OE1-CZ 3.9Å; E275-R348 IonicContact OE1-NH1 4Å; E275-R348 IonicContact OE1-NH2 3.78Å; E275-R348 PolarHBondContact OE1-NH2 3.44Å; L344-R348 PolarHBondContact O-N 3.1Å; L344-R348 VanDerWaalsContact O-N 3.1Å; G345-R348 VanDerWaalsContact O-CB 3.27Å; G345-R348 WeakPolarHBondContact O-CB 3.35Å; G345-R348 PolarHBondContact O-N 2.99Å; F346-R348 PolarHBondContact O-N 2.95Å; R348-R351 VanDerWaalsContact O-CB 3.29Å; R348-R351 WeakPolarHBondContact O-CB 2.98Å; R348-R351 WeakPolarHBondContact O-CG 3.25Å; R348-R351 PolarHBondContact O-N 3.24Å
349V76.8Confident81.7Confident93 Ų9362.2 Ų62.256%0.56432%0.323SS*.Hα-helixtrans-68.1-42.8173.3-177.10000110.2F346 L347 R351 F352F346-V349 WeakPolarHBondContact O-CA 3.3Å; F346-V349 WeakPolarHBondContact O-CB 3.21Å; F346-V349 PolarHBondContact O-N 2.72Å; L347-V349 VanDerWaalsContact C-N 3.29Å; L347-V349 PolarHBondContact O-N 3.24Å; V349-R351 PolarHBondContact O-N 2.7Å; V349-F352 HydrophobicContact CG1-CE1 4.47Å; V349-F352 WeakPolarHBondContact O-CD1 3.26Å; V349-F352 WeakPolarHBondContact O-CE1 3.36Å; V349-F352 PolarHBondContact O-N 2.99Å
350V81.8Confident81.4Confident32 Ų3259.5 Ų59.519%0.19430%0.299CS..Hα-helixtrans-66.3-8.7178-175.60000112.4P325 F346 L347 F352 V353P325-V350 HydrophobicContact CG-CG1 4.36Å; F346-V350 HydrophobicContact CD1-CG2 3.85Å; F346-V350 HydrophobicContact CE1-CG2 3.46Å; F346-V350 VanDerWaalsContact CE1-CG2 3.46Å; F346-V350 HydrophobicContact CZ-CG2 3.89Å; F346-V350 PolarHBondContact O-N 3.08Å; L347-V350 CarbonylContact O-C 3.54Å; L347-V350 PolarHBondContact O-N 3.39Å; V350-F352 PolarHBondContact O-N 3.35Å; V350-F352 VanDerWaalsContact O-N 3.1Å; V350-V353 HydrophobicContact CG1-CB 4.04Å; V350-V353 HydrophobicContact CG1-CG2 3.6Å; V350-V353 WeakPolarHBondContact O-CB 3.36Å; V350-V353 WeakPolarHBondContact O-CG2 3.48Å; V350-V353 PolarHBondContact O-N 2.93Å
351R78Confident81.2Confident37 Ų3760.5 Ų60.514%0.1430%0.303CS..G310 helixtrans-55.7-28.6174.2-71.9-176.4-178.3-179.94.6112.8E329 L347 R348 V349 V353 R354E329-R351 IonicContact OE1-CZ 3.82Å; E329-R351 IonicContact OE1-NE 3.36Å; E329-R351 IonicContact OE1-NH2 3.53Å; E329-R351 PolarHBondContact OE1-NH2 2.93Å; E329-R351 IonicContact OE2-NE 3.24Å; E329-R351 IonicContact OE2-NH2 2.68Å; L347-R351 PolarHBondContact O-N 3.34Å; R348-R351 VanDerWaalsContact O-CB 3.29Å; R348-R351 WeakPolarHBondContact O-CB 2.98Å; R348-R351 WeakPolarHBondContact O-CG 3.25Å; R348-R351 PolarHBondContact O-N 3.24Å; V349-R351 PolarHBondContact O-N 2.7Å; R351-V353 PolarHBondContact O-N 3.49Å; R351-R354 WeakPolarHBondContact O-CB 3.45Å; R351-R354 VanDerWaalsContact O-CG 3.23Å; R351-R354 WeakPolarHBondContact O-CG 3.3Å; R351-R354 PolarHBondContact O-N 3.45Å
352F82.8Confident81Confident126 Ų12656.6 Ų56.655%0.55329%0.288SS*.G310 helixtrans-62.3-23.7174.878.1-102.1000112.6V349 V350 R354 I355V349-F352 HydrophobicContact CG1-CE1 4.47Å; V349-F352 WeakPolarHBondContact O-CD1 3.26Å; V349-F352 WeakPolarHBondContact O-CE1 3.36Å; V349-F352 PolarHBondContact O-N 2.99Å; V350-F352 PolarHBondContact O-N 3.35Å; V350-F352 VanDerWaalsContact O-N 3.1Å; F352-R354 PolarHBondContact O-N 3.23Å; F352-R354 VanDerWaalsContact O-N 3.13Å; F352-I355 WeakPolarHBondContact O-CB 3.17Å; F352-I355 WeakPolarHBondContact O-CG2 3.2Å; F352-I355 PolarHBondContact O-N 3.42Å
353V84.7Confident80.6Confident23 Ų2353.1 Ų53.114%0.13927%0.269CS..G310 helixtrans-59.8-24175.2175.60000111.6V321 V350 R351 I355 L356V321-V353 HydrophobicContact CG1-CG1 3.3Å; V350-V353 HydrophobicContact CG1-CB 4.04Å; V350-V353 HydrophobicContact CG1-CG2 3.6Å; V350-V353 WeakPolarHBondContact O-CB 3.36Å; V350-V353 WeakPolarHBondContact O-CG2 3.48Å; V350-V353 PolarHBondContact O-N 2.93Å; R351-V353 PolarHBondContact O-N 3.49Å; V353-I355 PolarHBondContact O-N 3.04Å; V353-I355 VanDerWaalsContact O-N 3.12Å; V353-L356 HydrophobicContact CG1-CD1 3.75Å; V353-L356 HydrophobicContact CG1-CG 4.28Å; V353-L356 WeakPolarHBondContact O-CB 3.24Å; V353-L356 VanDerWaalsContact O-CG 3.25Å; V353-L356 WeakPolarHBondContact O-CG 3.28Å; V353-L356 PolarHBondContact O-N 3.26Å
354R82Confident80.2Confident5 Ų551.2 Ų51.22%0.01926%0.255CS..G310 helixtrans-54.5-27.5169.2-71176.5-173-178.72.8112.5F246 E249 E329 R351 F352 L356 R357F246-R354 HydrophobicContact CD2-CB 4.25Å; E249-R354 IonicContact OE1-NH1 2.82Å; E249-R354 PolarHBondContact OE1-NH1 3.34Å; E249-R354 IonicContact OE2-NH1 3.41Å; E249-R354 PolarHBondContact OE2-NH1 3Å; E329-R354 IonicContact OE2-NH2 3.09Å; E329-R354 PolarHBondContact OE2-NH2 3.47Å; R351-R354 WeakPolarHBondContact O-CB 3.45Å; R351-R354 VanDerWaalsContact O-CG 3.23Å; R351-R354 WeakPolarHBondContact O-CG 3.3Å; R351-R354 PolarHBondContact O-N 3.45Å; F352-R354 PolarHBondContact O-N 3.23Å; F352-R354 VanDerWaalsContact O-N 3.13Å; R354-L356 PolarHBondContact O-N 2.88Å; R354-R357 VanDerWaalsContact CB-NH2 3.25Å; R354-R357 WeakPolarHBondContact O-CB 3.36Å; R354-R357 WeakPolarHBondContact O-CG 3.4Å; R354-R357 PolarHBondContact O-N 3.44Å; R354-R357 VanDerWaalsContact O-N 3.1Å; R354-R357 PolarHBondContact O-NE 3.14Å
355I85.1Confident80.1Confident88 Ų8854 Ų5445%0.45127%0.265SS..G310 helixtrans-59-27.9174.9-154.5169000111.9F352 V353 R357 I358F352-I355 WeakPolarHBondContact O-CB 3.17Å; F352-I355 WeakPolarHBondContact O-CG2 3.2Å; F352-I355 PolarHBondContact O-N 3.42Å; V353-I355 PolarHBondContact O-N 3.04Å; V353-I355 VanDerWaalsContact O-N 3.12Å; I355-R357 PolarHBondContact O-N 2.95Å; I355-I358 VanDerWaalsContact O-CB 3.31Å; I355-I358 WeakPolarHBondContact O-CB 3.27Å; I355-I358 WeakPolarHBondContact O-CG2 3.46Å; I355-I358 PolarHBondContact O-N 3.26Å
356L85.2Confident79.7Confident52 Ų5253.5 Ų53.527%0.27226%0.255SS..G310 helixtrans-60.7-20.3178.5-61.1-175.8000112.7I318 V321 V353 R354 I358 F359I318-L356 HydrophobicContact CG2-CB 4.31Å; I318-L356 WeakPolarHBondContact CG2-O 3.43Å; V321-L356 HydrophobicContact CG1-CD1 3.9Å; V353-L356 HydrophobicContact CG1-CD1 3.75Å; V353-L356 HydrophobicContact CG1-CG 4.28Å; V353-L356 WeakPolarHBondContact O-CB 3.24Å; V353-L356 VanDerWaalsContact O-CG 3.25Å; V353-L356 WeakPolarHBondContact O-CG 3.28Å; V353-L356 PolarHBondContact O-N 3.26Å; R354-L356 PolarHBondContact O-N 2.88Å; L356-I358 PolarHBondContact O-N 3.08Å; L356-I358 VanDerWaalsContact O-N 3.11Å; L356-F359 HydrophobicContact CB-CD2 4.31Å; L356-F359 HydrophobicContact CD2-CD2 3.9Å; L356-F359 HydrophobicContact CD2-CE2 3.66Å; L356-F359 WeakPolarHBondContact O-CB 3.4Å; L356-F359 WeakPolarHBondContact O-CD2 3.29Å; L356-F359 PolarHBondContact O-N 2.69Å
357R83.4Confident79.3Confident1 Ų148.9 Ų48.90%0.00425%0.245CC..G310 helixtrans-58.5-22.6172.983.9-174.882.2-149.736.4112.3S242 I243 E286 A322 R354 I355 F359 K360S242-R357 VanDerWaalsContact OG-CD 3.28Å; S242-R357 WeakPolarHBondContact OG-CD 3.42Å; S242-R357 PolarHBondContact OG-NE 2.87Å; S242-R357 PolarHBondContact OG-NH1 3.49Å; S242-R357 PolarHBondContact OG-NH2 2.98Å; S242-R357 VanDerWaalsContact OG-NH2 3.08Å; I243-R357 HydrophobicContact CG1-CG 4.15Å; E286-R357 VanDerWaalsContact CD-NH2 3.32Å; E286-R357 IonicContact OE1-CZ 2.88Å; E286-R357 VanDerWaalsContact OE1-CZ 3.24Å; E286-R357 IonicContact OE1-NH1 3.62Å; E286-R357 PolarHBondContact OE1-NH1 3.15Å; E286-R357 IonicContact OE1-NH2 2.67Å; E286-R357 PolarHBondContact OE1-NH2 3.09Å; E286-R357 IonicContact OE2-CZ 2.85Å; E286-R357 IonicContact OE2-NH1 3.56Å; E286-R357 IonicContact OE2-NH2 3.25Å; E286-R357 PolarHBondContact OE2-NH2 2.94Å; A322-R357 HydrophobicContact CB-CB 4.11Å; R354-R357 VanDerWaalsContact CB-NH2 3.25Å; R354-R357 WeakPolarHBondContact O-CB 3.36Å; R354-R357 WeakPolarHBondContact O-CG 3.4Å; R354-R357 PolarHBondContact O-N 3.44Å; R354-R357 VanDerWaalsContact O-N 3.1Å; R354-R357 PolarHBondContact O-NE 3.14Å; I355-R357 PolarHBondContact O-N 2.95Å; R357-F359 PolarHBondContact O-N 3.38Å; R357-K360 VanDerWaalsContact O-CB 3.23Å; R357-K360 WeakPolarHBondContact O-CB 3.35Å; R357-K360 PolarHBondContact O-N 3.32Å
358I85.6Confident79.2Confident76 Ų7651.6 Ų51.639%0.3926%0.259SS..G310 helixtrans-59.5-31.8172.5-159.2169.9000112I243 I355 L356 K360 L361I243-I358 HydrophobicContact CD1-CB 4.17Å; I243-I358 HydrophobicContact CD1-CD1 4.47Å; I243-I358 HydrophobicContact CD1-CG1 4.05Å; I355-I358 VanDerWaalsContact O-CB 3.31Å; I355-I358 WeakPolarHBondContact O-CB 3.27Å; I355-I358 WeakPolarHBondContact O-CG2 3.46Å; I355-I358 PolarHBondContact O-N 3.26Å; L356-I358 PolarHBondContact O-N 3.08Å; L356-I358 VanDerWaalsContact O-N 3.11Å; I358-K360 PolarHBondContact O-N 3.31Å; I358-L361 HydrophobicContact CG1-CD1 3.89Å; I358-L361 WeakPolarHBondContact O-CB 3.3Å; I358-L361 WeakPolarHBondContact O-CG 3.33Å; I358-L361 PolarHBondContact O-N 3.12Å; I358-L361 VanDerWaalsContact O-N 3.13Å
359F83.2Confident79.3Confident102 Ų10250.2 Ų50.245%0.44725%0.254SS..G310 helixtrans-71.7-13.7177.6-64.5-67.6000112.5I318 L356 R357 L361 T362I318-F359 HydrophobicContact CD1-CB 3.95Å; I318-F359 HydrophobicContact CD1-CG 4.41Å; I318-F359 HydrophobicContact CG2-CB 4.04Å; L356-F359 HydrophobicContact CB-CD2 4.31Å; L356-F359 HydrophobicContact CD2-CD2 3.9Å; L356-F359 HydrophobicContact CD2-CE2 3.66Å; L356-F359 WeakPolarHBondContact O-CB 3.4Å; L356-F359 WeakPolarHBondContact O-CD2 3.29Å; L356-F359 PolarHBondContact O-N 2.69Å; R357-F359 PolarHBondContact O-N 3.38Å; F359-L361 PolarHBondContact O-N 2.82Å; F359-T362 VanDerWaalsContact O-CB 3.26Å; F359-T362 WeakPolarHBondContact O-CB 3.39Å; F359-T362 WeakPolarHBondContact O-CG2 3.44Å; F359-T362 PolarHBondContact O-N 3.24Å; F359-T362 PolarHBondContact O-OG1 3.31Å
360K78.3Confident79.2Confident6 Ų645.9 Ų45.93%0.02623%0.228CC..G310 helixtrans-59.4-27.3168-74.1-176152.11530112.6I239 F293 D319 R357 I358 T362 R363I239-K360 HydrophobicContact CD1-CB 3.53Å; I239-K360 HydrophobicContact CD1-CD 4.49Å; I239-K360 HydrophobicContact CG1-CB 4.29Å; F293-K360 HydrophobicContact CD1-CD 4.46Å; D319-K360 WeakPolarHBondContact OD1-CE 3.15Å; D319-K360 VanDerWaalsContact OD1-CG 3.29Å; D319-K360 WeakPolarHBondContact OD1-CG 3.38Å; R357-K360 VanDerWaalsContact O-CB 3.23Å; R357-K360 WeakPolarHBondContact O-CB 3.35Å; R357-K360 PolarHBondContact O-N 3.32Å; I358-K360 PolarHBondContact O-N 3.31Å; K360-T362 PolarHBondContact O-N 2.95Å; K360-T362 VanDerWaalsContact O-N 3.11Å; K360-R363 PolarHBondContact O-N 3.46Å; K360-R363 VanDerWaalsContact O-N 3.11Å
361L78Confident79.2Confident26 Ų2647.4 Ų47.414%0.13624%0.235CC..Hα-helixtrans-56.8-26.5174.2-62178.4000112.6L236 I239 I358 F359 R363 H364 F365 L368L236-L361 HydrophobicContact CD1-CD2 3.22Å; I239-L361 HydrophobicContact CB-CD2 4.48Å; I239-L361 HydrophobicContact CD1-CD2 4.04Å; I239-L361 HydrophobicContact CG2-CD2 3.96Å; I239-L361 HydrophobicContact CG2-CG 4.2Å; I358-L361 HydrophobicContact CG1-CD1 3.89Å; I358-L361 WeakPolarHBondContact O-CB 3.3Å; I358-L361 WeakPolarHBondContact O-CG 3.33Å; I358-L361 PolarHBondContact O-N 3.12Å; I358-L361 VanDerWaalsContact O-N 3.13Å; F359-L361 PolarHBondContact O-N 2.82Å; L361-R363 PolarHBondContact O-N 2.97Å; L361-H364 PolarHBondContact O-N 3.41Å; L361-F365 HydrophobicContact CB-CD2 4.12Å; L361-F365 HydrophobicContact CD2-CE2 4.26Å; L361-F365 WeakPolarHBondContact O-CD2 3.26Å; L361-F365 PolarHBondContact O-N 2.92Å; L361-L368 HydrophobicContact CB-CD1 4.03Å
362T77.6Confident79.3Confident21 Ų2147.7 Ų47.713%0.12925%0.249CC..Hα-helixtrans-58.4-31.3177.4630000112.9L315 F359 K360 H364 L368 R369L315-T362 WeakPolarHBondContact CD2-OG1 3.48Å; F359-T362 VanDerWaalsContact O-CB 3.26Å; F359-T362 WeakPolarHBondContact O-CB 3.39Å; F359-T362 WeakPolarHBondContact O-CG2 3.44Å; F359-T362 PolarHBondContact O-N 3.24Å; F359-T362 PolarHBondContact O-OG1 3.31Å; K360-T362 PolarHBondContact O-N 2.95Å; K360-T362 VanDerWaalsContact O-N 3.11Å; T362-H364 VanDerWaalsContact C-N 3.33Å; T362-H364 PolarHBondContact O-N 3.5Å; T362-L368 HydrophobicContact CG2-CB 4.09Å; T362-L368 HydrophobicContact CG2-CD1 4.33Å; T362-R369 VanDerWaalsContact O-CG 3.24Å; T362-R369 WeakPolarHBondContact O-CG 3.17Å
363R74.2Confident79Confident16 Ų1643.3 Ų43.36%0.0623%0.23CC..Hα-helixtrans-68.5-34.2176.8-63.7-172.3-166.3-113.51.3112.5E220 L315 N316 D319 K360 L361E220-R363 IonicContact OE1-NH1 3.27Å; E220-R363 PolarHBondContact OE1-NH1 3.37Å; E220-R363 VanDerWaalsContact OE1-NH1 3.16Å; E220-R363 IonicContact OE2-NH1 3.05Å; E220-R363 PolarHBondContact OE2-NH1 3.19Å; E220-R363 VanDerWaalsContact OE2-NH1 3.09Å; L315-R363 HydrophobicContact CD1-CG 4.21Å; L315-R363 PolarHBondContact O-NH2 3.5Å; N316-R363 VanDerWaalsContact OD1-CZ 3.29Å; N316-R363 PolarHBondContact OD1-NH1 3.49Å; N316-R363 PolarHBondContact OD1-NH2 3.19Å; D319-R363 VanDerWaalsContact CG-NH2 3.28Å; D319-R363 IonicContact OD1-NE 3.63Å; D319-R363 IonicContact OD1-NH2 3.94Å; D319-R363 PolarHBondContact OD1-NH2 3.25Å; D319-R363 IonicContact OD2-CZ 3.58Å; D319-R363 IonicContact OD2-NE 3.87Å; D319-R363 IonicContact OD2-NH2 3.73Å; D319-R363 PolarHBondContact OD2-NH2 3.45Å; K360-R363 PolarHBondContact O-N 3.46Å; K360-R363 VanDerWaalsContact O-N 3.11Å; L361-R363 PolarHBondContact O-N 2.97Å
364H74.8Confident78.8Confident29 Ų2942.3 Ų42.313%0.13422%0.224CC..Hα-helixtrans-91.2-31.6-174-56.1-53.8000112.4A232 L361 T362A232-H364 WeakPolarHBondContact CB-ND1 3.34Å; L361-H364 PolarHBondContact O-N 3.41Å; T362-H364 VanDerWaalsContact C-N 3.33Å; T362-H364 PolarHBondContact O-N 3.5Å
365F78.4Confident78.8Confident103 Ų10345.6 Ų45.645%0.45224%0.242SC..  trans-103.499.7179.1-68.9-78.3000110.7L236 L361 G367 L368 R369L236-F365 HydrophobicContact CD1-CE2 4.18Å; L236-F365 HydrophobicContact CD2-CZ 4.38Å; L361-F365 HydrophobicContact CB-CD2 4.12Å; L361-F365 HydrophobicContact CD2-CE2 4.26Å; L361-F365 WeakPolarHBondContact O-CD2 3.26Å; L361-F365 PolarHBondContact O-N 2.92Å; F365-G367 PolarHBondContact O-N 2.67Å; F365-G367 VanDerWaalsContact O-N 3.1Å; F365-L368 HydrophobicContact CB-CB 4.41Å; F365-L368 HydrophobicContact CB-CD1 4.11Å; F365-L368 HydrophobicContact CB-CG 4.15Å; F365-L368 PolarHBondContact O-N 2.85Å; F365-R369 PolarHBondContact O-N 3.47Å
366V69.5Low78.7Confident26 Ų2650.8 Ų50.816%0.15826%0.255CS..Hα-helixtrans-53.4-34.2174.7-178.60000111.5Y223 L368 R369 V370Y223-V366 HydrophobicContact CE2-CG2 3.87Å; V366-L368 VanDerWaalsContact C-N 3.26Å; V366-L368 PolarHBondContact O-N 3.29Å; V366-R369 WeakPolarHBondContact O-CB 3.13Å; V366-R369 PolarHBondContact O-N 3.5Å; V366-R369 VanDerWaalsContact O-N 3.08Å; V366-V370 HydrophobicContact CG1-CG2 4.06Å; V366-V370 WeakPolarHBondContact O-CG2 3.23Å; V366-V370 PolarHBondContact O-N 2.86Å
367G73.1Confident78.4Confident37 Ų3750 Ų5038%0.38126%0.256SS..Hα-helixtrans-56.3-35.7175.200000114F365 L371F365-G367 PolarHBondContact O-N 2.67Å; F365-G367 VanDerWaalsContact O-N 3.1Å; G367-L371 WeakPolarHBondContact O-CB 3.44Å; G367-L371 PolarHBondContact O-N 3.21Å
368L76.9Confident78.5Confident69 Ų6949.9 Ų49.936%0.36126%0.256SS..Hα-helixtrans-74.7-34.4176.1-71.7175.7000112.4L361 T362 F365 V366 L371 G372L361-L368 HydrophobicContact CB-CD1 4.03Å; T362-L368 HydrophobicContact CG2-CB 4.09Å; T362-L368 HydrophobicContact CG2-CD1 4.33Å; F365-L368 HydrophobicContact CB-CB 4.41Å; F365-L368 HydrophobicContact CB-CD1 4.11Å; F365-L368 HydrophobicContact CB-CG 4.15Å; F365-L368 PolarHBondContact O-N 2.85Å; V366-L368 VanDerWaalsContact C-N 3.26Å; V366-L368 PolarHBondContact O-N 3.29Å; L368-L371 HydrophobicContact CD2-CD2 4.26Å; L368-L371 PolarHBondContact O-N 3.49Å; L368-G372 PolarHBondContact O-N 3.39Å
369R75.7Confident78.6Confident86 Ų8649.8 Ų49.833%0.32526%0.259SS..Hα-helixtrans-62.2-47.9170.7-68.217357.8-175.2-0.6110.3T362 F365 V366 L371 G372 H373T362-R369 VanDerWaalsContact O-CG 3.24Å; T362-R369 WeakPolarHBondContact O-CG 3.17Å; F365-R369 PolarHBondContact O-N 3.47Å; V366-R369 WeakPolarHBondContact O-CB 3.13Å; V366-R369 PolarHBondContact O-N 3.5Å; V366-R369 VanDerWaalsContact O-N 3.08Å; R369-L371 VanDerWaalsContact C-N 3.34Å; R369-L371 PolarHBondContact O-N 3.28Å; R369-G372 PolarHBondContact O-N 3.45Å; R369-G372 VanDerWaalsContact O-N 3.17Å; R369-H373 PolarHBondContact O-CD2 3.1Å; R369-H373 PolarHBondContact O-N 3.21Å
370V74.9Confident78.9Confident2 Ų250.5 Ų50.51%0.01227%0.268CS..Hα-helixtrans-56.9-49.4175.6175.20000110.5F169 V366 G372 H373 T374 Y480 A483F169-V370 HydrophobicContact CE1-CB 4.31Å; F169-V370 HydrophobicContact CE1-CG2 3.94Å; F169-V370 HydrophobicContact CZ-CB 4.47Å; F169-V370 HydrophobicContact CZ-CG1 4.2Å; F169-V370 HydrophobicContact CZ-CG2 4.22Å; V366-V370 HydrophobicContact CG1-CG2 4.06Å; V366-V370 WeakPolarHBondContact O-CG2 3.23Å; V366-V370 PolarHBondContact O-N 2.86Å; V370-G372 VanDerWaalsContact C-N 3.34Å; V370-G372 PolarHBondContact O-N 2.95Å; V370-H373 PolarHBondContact O-N 3.1Å; V370-T374 WeakPolarHBondContact O-CB 3.38Å; V370-T374 PolarHBondContact O-N 3.04Å; V370-T374 PolarHBondContact O-OG1 2.97Å; V370-Y480 HydrophobicContact CG1-CD2 4.38Å; V370-A483 HydrophobicContact CG1-CB 4.39Å; V370-A483 HydrophobicContact CG2-CB 3.55Å
371L81.4Confident79.5Confident65 Ų6552.4 Ų52.434%0.3428%0.277SS..Hα-helixtrans-54.8-48.4174.8-178.763.7000111.7G367 L368 R369 H373 T374 L375 F476G367-L371 WeakPolarHBondContact O-CB 3.44Å; G367-L371 PolarHBondContact O-N 3.21Å; L368-L371 HydrophobicContact CD2-CD2 4.26Å; L368-L371 PolarHBondContact O-N 3.49Å; R369-L371 VanDerWaalsContact C-N 3.34Å; R369-L371 PolarHBondContact O-N 3.28Å; L371-H373 PolarHBondContact O-N 2.87Å; L371-T374 PolarHBondContact O-N 3.13Å; L371-L375 HydrophobicContact CD1-CD1 4.33Å; L371-L375 HydrophobicContact CD1-CD2 4.45Å; L371-L375 HydrophobicContact CD1-CG 4.15Å; L371-L375 HydrophobicContact CG-CD1 4.07Å; L371-L375 HydrophobicContact CG-CG 4.31Å; L371-L375 WeakPolarHBondContact O-CB 3.25Å; L371-L375 VanDerWaalsContact O-CG 3.22Å; L371-L375 WeakPolarHBondContact O-CG 3.2Å; L371-L375 PolarHBondContact O-N 3.45Å; L371-F476 HydrophobicContact CB-CE2 4.28Å; L371-F476 HydrophobicContact CD1-CD2 4.04Å; L371-F476 HydrophobicContact CD1-CE2 3.77Å
372G80.2Confident80Confident42 Ų4254.2 Ų54.243%0.43328%0.283SS..Hα-helixtrans-59.2-44.3178.900000113.6L368 R369 V370 L375 R376L368-G372 PolarHBondContact O-N 3.39Å; R369-G372 PolarHBondContact O-N 3.45Å; R369-G372 VanDerWaalsContact O-N 3.17Å; V370-G372 VanDerWaalsContact C-N 3.34Å; V370-G372 PolarHBondContact O-N 2.95Å; G372-L375 PolarHBondContact O-N 2.92Å; G372-R376 PolarHBondContact O-N 3.36Å; G372-R376 VanDerWaalsContact O-N 3.09Å
373H76.4Confident80.7Confident34 Ų3457.5 Ų57.516%0.15730%0.3CS..Hα-helixtrans-67-41.8176.1-73.3-73.3000112.1I168 F169 R369 V370 L371 L375 R376 A377I168-H373 HydrophobicContact CG2-CB 4.19Å; I168-H373 WeakPolarHBondContact CG2-ND1 3.22Å; I168-H373 PolarHBondContact O-CE1 3.37Å; F169-H373 HydrophobicContact CD1-CB 4.31Å; F169-H373 AromaticContact CD1-CD2 3.59Å; F169-H373 HydrophobicContact CE1-CB 3.6Å; F169-H373 AromaticContact CE1-CD2 3.57Å; F169-H373 AromaticContact CE1-CG 3.78Å; F169-H373 HydrophobicContact CZ-CB 4.07Å; R369-H373 PolarHBondContact O-CD2 3.1Å; R369-H373 PolarHBondContact O-N 3.21Å; V370-H373 PolarHBondContact O-N 3.1Å; L371-H373 PolarHBondContact O-N 2.87Å; H373-L375 PolarHBondContact O-N 3.18Å; H373-R376 PolarHBondContact O-N 2.92Å; H373-A377 PolarHBondContact O-N 2.88Å
374T80.2Confident81.5Confident3 Ų361 Ų612%0.01832%0.319CS..Hα-helixtrans-61.9-43.9175.7-56.20000111.7V370 L371 R376 A377 S378 F476 Y479V370-T374 WeakPolarHBondContact O-CB 3.38Å; V370-T374 PolarHBondContact O-N 3.04Å; V370-T374 PolarHBondContact O-OG1 2.97Å; L371-T374 PolarHBondContact O-N 3.13Å; T374-R376 VanDerWaalsContact C-N 3.29Å; T374-R376 PolarHBondContact O-N 3.12Å; T374-A377 PolarHBondContact O-N 2.92Å; T374-S378 WeakPolarHBondContact O-CB 3.44Å; T374-S378 PolarHBondContact O-N 3.11Å; T374-S378 PolarHBondContact O-OG 3.13Å; T374-F476 VanDerWaalsContact CG2-CA 3.47Å; T374-F476 HydrophobicContact CG2-CB 3.84Å; T374-F476 HydrophobicContact CG2-CD2 3.96Å; T374-F476 HydrophobicContact CG2-CG 4.38Å; T374-Y479 HydrophobicContact CG2-CD2 4.07Å; T374-Y479 VanDerWaalsContact OG1-CB 3.29Å; T374-Y479 WeakPolarHBondContact OG1-CB 3.47Å
375L83.6Confident82.4Confident74 Ų7461 Ų6139%0.38732%0.32SS..Hα-helixtrans-60.9-40.8177.3-71.5176.7000111L371 G372 H373 S378 T379 F382L371-L375 HydrophobicContact CD1-CD1 4.33Å; L371-L375 HydrophobicContact CD1-CD2 4.45Å; L371-L375 HydrophobicContact CD1-CG 4.15Å; L371-L375 HydrophobicContact CG-CD1 4.07Å; L371-L375 HydrophobicContact CG-CG 4.31Å; L371-L375 WeakPolarHBondContact O-CB 3.25Å; L371-L375 VanDerWaalsContact O-CG 3.22Å; L371-L375 WeakPolarHBondContact O-CG 3.2Å; L371-L375 PolarHBondContact O-N 3.45Å; G372-L375 PolarHBondContact O-N 2.92Å; H373-L375 PolarHBondContact O-N 3.18Å; L375-S378 CarbonylContact O-C 3.5Å; L375-S378 PolarHBondContact O-N 2.96Å; L375-T379 PolarHBondContact O-N 2.94Å; L375-T379 VanDerWaalsContact O-N 3.15Å; L375-T379 PolarHBondContact O-OG1 3.43Å; L375-F382 HydrophobicContact CD2-CD2 4.27Å; L375-F382 HydrophobicContact CD2-CE1 4.37Å; L375-F382 HydrophobicContact CD2-CE2 3.26Å; L375-F382 HydrophobicContact CD2-CZ 3.31Å
376R82.3Confident83.1Confident196 Ų19661.2 Ų61.274%0.7433%0.325SS*.Hα-helixtrans-64.6-43.3174.9-174179179.5-175.1-1.5111.9G372 H373 T374 S378 T379G372-R376 PolarHBondContact O-N 3.36Å; G372-R376 VanDerWaalsContact O-N 3.09Å; H373-R376 PolarHBondContact O-N 2.92Å; T374-R376 VanDerWaalsContact C-N 3.29Å; T374-R376 PolarHBondContact O-N 3.12Å; R376-S378 VanDerWaalsContact C-N 3.28Å; R376-S378 PolarHBondContact O-N 3.29Å; R376-T379 WeakPolarHBondContact CA-OG1 3.02Å; R376-T379 WeakPolarHBondContact O-CB 3.31Å; R376-T379 PolarHBondContact O-N 3.3Å; R376-T379 PolarHBondContact O-OG1 3.3Å
377A78.9Confident84.3Confident35 Ų3563.5 Ų63.529%0.28934%0.335SS..Hα-helixtrans-65.1-33.9176.300000112.2H373 T374 Y479H373-A377 PolarHBondContact O-N 2.88Å; T374-A377 PolarHBondContact O-N 2.92Å; A377-Y479 HydrophobicContact CB-CE1 4.25Å; A377-Y479 HydrophobicContact CB-CE2 3.81Å; A377-Y479 WeakPolarHBondContact CB-OH 3.47Å
378S85Confident85.3Confident0 Ų065.9 Ų65.90%034%0.335CS..THydrogen-bonded Turntrans-94.916.3-177.4-47.50000113.4T374 L375 R376 N380 E381 F382 N475T374-S378 WeakPolarHBondContact O-CB 3.44Å; T374-S378 PolarHBondContact O-N 3.11Å; T374-S378 PolarHBondContact O-OG 3.13Å; L375-S378 CarbonylContact O-C 3.5Å; L375-S378 PolarHBondContact O-N 2.96Å; R376-S378 VanDerWaalsContact C-N 3.28Å; R376-S378 PolarHBondContact O-N 3.29Å; S378-N380 PolarHBondContact O-N 2.91Å; S378-E381 WeakPolarHBondContact CA-OE2 3.07Å; S378-E381 PolarHBondContact O-N 2.87Å; S378-E381 VanDerWaalsContact O-OE2 3.11Å; S378-F382 WeakPolarHBondContact O-CD2 3.28Å; S378-F382 PolarHBondContact O-N 3.06Å; S378-N475 PolarHBondContact OG-ND2 3.16Å
379T88.7Confident86.2Confident74 Ų7464.7 Ų64.745%0.45433%0.329SS..Hα-helixtrans-62.4-31.4-174-69.10000112.2L375 R376 F382 L383L375-T379 PolarHBondContact O-N 2.94Å; L375-T379 VanDerWaalsContact O-N 3.15Å; L375-T379 PolarHBondContact O-OG1 3.43Å; R376-T379 WeakPolarHBondContact CA-OG1 3.02Å; R376-T379 WeakPolarHBondContact O-CB 3.31Å; R376-T379 PolarHBondContact O-N 3.3Å; R376-T379 PolarHBondContact O-OG1 3.3Å; T379-F382 PolarHBondContact O-N 3.06Å; T379-L383 VanDerWaalsContact O-CB 3.25Å; T379-L383 WeakPolarHBondContact O-CB 3.35Å; T379-L383 PolarHBondContact O-N 3.22Å
380N88.7Confident87.2Confident117 Ų11763.3 Ų63.363%0.62634%0.336SS*.Hα-helixtrans-66.5-41.8177.7-66.8-38.4000111.1S378 L383 L384S378-N380 PolarHBondContact O-N 2.91Å; N380-L383 PolarHBondContact O-N 2.9Å; N380-L384 VanDerWaalsContact O-CG 3.31Å; N380-L384 WeakPolarHBondContact O-CG 3.15Å; N380-L384 PolarHBondContact O-N 3.37Å
381E90.1Very high88.2Confident46 Ų4667.6 Ų67.622%0.21536%0.359CS..Hα-helixtrans-67.8-41.2177.6-61.988.4153.600111.3S378 L384 L385 V471 I472 N475S378-E381 WeakPolarHBondContact CA-OE2 3.07Å; S378-E381 PolarHBondContact O-N 2.87Å; S378-E381 VanDerWaalsContact O-OE2 3.11Å; E381-L384 PolarHBondContact O-N 3.44Å; E381-L385 PolarHBondContact O-N 2.89Å; E381-V471 HydrophobicContact CG-CG1 3.9Å; E381-I472 HydrophobicContact CB-CD1 4.43Å; E381-I472 HydrophobicContact CB-CG1 3.92Å; E381-N475 PolarHBondContact OE1-ND2 3.4Å; E381-N475 VanDerWaalsContact OE1-ND2 3.13Å
382F89.4Confident88.9Confident63 Ų6365 Ų6528%0.27635%0.347SS..Hα-helixtrans-62.6-42.7171.5-83.4-72.3000112.2L375 S378 T379 L384 L385 I386 I472L375-F382 HydrophobicContact CD2-CD2 4.27Å; L375-F382 HydrophobicContact CD2-CE1 4.37Å; L375-F382 HydrophobicContact CD2-CE2 3.26Å; L375-F382 HydrophobicContact CD2-CZ 3.31Å; S378-F382 WeakPolarHBondContact O-CD2 3.28Å; S378-F382 PolarHBondContact O-N 3.06Å; T379-F382 PolarHBondContact O-N 3.06Å; F382-L384 VanDerWaalsContact C-N 3.34Å; F382-L385 WeakPolarHBondContact O-CB 3.18Å; F382-L385 PolarHBondContact O-N 3.35Å; F382-I386 WeakPolarHBondContact O-CG1 3.21Å; F382-I386 PolarHBondContact O-N 3.44Å; F382-I472 HydrophobicContact CD1-CD1 4.07Å; F382-I472 HydrophobicContact CD2-CD1 4.33Å; F382-I472 HydrophobicContact CE1-CD1 3.91Å; F382-I472 HydrophobicContact CE2-CD1 4.14Å; F382-I472 HydrophobicContact CE2-CG1 4.32Å; F382-I472 HydrophobicContact CE2-CG2 3.81Å; F382-I472 HydrophobicContact CG-CD1 4.27Å; F382-I472 HydrophobicContact CZ-CD1 3.94Å; F382-I472 HydrophobicContact CZ-CG1 4.46Å; F382-I472 HydrophobicContact CZ-CG2 3.67Å
383L92.6Very high89.8Confident91 Ų9163.6 Ų63.648%0.47633%0.33SS..Hα-helixtrans-63.3-42.4178.2-178.662.1000111T379 N380 L385 I386 I387T379-L383 VanDerWaalsContact O-CB 3.25Å; T379-L383 WeakPolarHBondContact O-CB 3.35Å; T379-L383 PolarHBondContact O-N 3.22Å; N380-L383 PolarHBondContact O-N 2.9Å; L383-L385 PolarHBondContact O-N 3.45Å; L383-I386 PolarHBondContact O-N 3.16Å; L383-I387 HydrophobicContact CD1-CD1 4.17Å; L383-I387 HydrophobicContact CD1-CG1 4.38Å; L383-I387 HydrophobicContact CG-CD1 3.88Å; L383-I387 WeakPolarHBondContact O-CB 3.28Å; L383-I387 VanDerWaalsContact O-CG1 3.24Å; L383-I387 WeakPolarHBondContact O-CG1 3.49Å; L383-I387 PolarHBondContact O-N 3.43Å
384L91.3Very high90.8Very high89 Ų8966.1 Ų66.147%0.46635%0.345SS..Hα-helixtrans-60.1-44.2174.1-73.6171.4000112N380 E381 F382 I386 I387 F388N380-L384 VanDerWaalsContact O-CG 3.31Å; N380-L384 WeakPolarHBondContact O-CG 3.15Å; N380-L384 PolarHBondContact O-N 3.37Å; E381-L384 PolarHBondContact O-N 3.44Å; F382-L384 VanDerWaalsContact C-N 3.34Å; L384-I386 PolarHBondContact O-N 3.45Å; L384-I387 PolarHBondContact O-N 3.4Å; L384-F388 WeakPolarHBondContact O-CD2 3.42Å; L384-F388 PolarHBondContact O-N 2.92Å
385L92.2Very high91.7Very high30 Ų3070.3 Ų70.316%0.15737%0.366CS..Hα-helixtrans-59.1-46.7175.1176.964.7000111.6E381 F382 L383 I387 F388 L389 P468E381-L385 PolarHBondContact O-N 2.89Å; F382-L385 WeakPolarHBondContact O-CB 3.18Å; F382-L385 PolarHBondContact O-N 3.35Å; L383-L385 PolarHBondContact O-N 3.45Å; L385-I387 VanDerWaalsContact C-N 3.35Å; L385-I387 PolarHBondContact O-N 3.49Å; L385-F388 PolarHBondContact O-N 3.46Å; L385-L389 VanDerWaalsContact O-CB 3.3Å; L385-L389 WeakPolarHBondContact O-CB 3.31Å; L385-L389 PolarHBondContact O-N 3.26Å; L385-P468 HydrophobicContact CB-CB 4.06Å; L385-P468 HydrophobicContact CB-CG 4.03Å; L385-P468 HydrophobicContact CD1-CB 4.41Å; L385-P468 HydrophobicContact CD1-CG 3.97Å
386I93.9Very high92.3Very high106 Ų10667.9 Ų67.954%0.54435%0.352SS..Hα-helixtrans-63-42178.7-68.2166.9000110.8F382 L383 L384 L389 A390F382-I386 WeakPolarHBondContact O-CG1 3.21Å; F382-I386 PolarHBondContact O-N 3.44Å; L383-I386 PolarHBondContact O-N 3.16Å; L384-I386 PolarHBondContact O-N 3.45Å; I386-L389 PolarHBondContact O-N 3.15Å; I386-A390 VanDerWaalsContact O-CB 3.25Å; I386-A390 WeakPolarHBondContact O-CB 3.49Å; I386-A390 PolarHBondContact O-N 3.23Å
387I94.6Very high93.1Very high74 Ų7458.5 Ų58.538%0.37932%0.317SS..Hα-helixtrans-63.7-49.8178.6-70.6166.2000110.9L383 L384 L385 L389 A390 L391L383-I387 HydrophobicContact CD1-CD1 4.17Å; L383-I387 HydrophobicContact CD1-CG1 4.38Å; L383-I387 HydrophobicContact CG-CD1 3.88Å; L383-I387 WeakPolarHBondContact O-CB 3.28Å; L383-I387 VanDerWaalsContact O-CG1 3.24Å; L383-I387 WeakPolarHBondContact O-CG1 3.49Å; L383-I387 PolarHBondContact O-N 3.43Å; L384-I387 PolarHBondContact O-N 3.4Å; L385-I387 VanDerWaalsContact C-N 3.35Å; L385-I387 PolarHBondContact O-N 3.49Å; I387-L389 VanDerWaalsContact C-N 3.34Å; I387-L389 PolarHBondContact O-N 2.93Å; I387-A390 PolarHBondContact O-N 2.84Å; I387-L391 HydrophobicContact CG2-CD1 3.98Å; I387-L391 HydrophobicContact CG2-CG 4.44Å; I387-L391 WeakPolarHBondContact O-CB 3.38Å; I387-L391 WeakPolarHBondContact O-CG 3.02Å; I387-L391 PolarHBondContact O-N 3.31Å
388F94Very high94Very high88 Ų8858.9 Ų58.939%0.38632%0.315SS..Hα-helixtrans-64.5-38.9179.3-68.1-37.9000112.3L384 L385 G392 T464L384-F388 WeakPolarHBondContact O-CD2 3.42Å; L384-F388 PolarHBondContact O-N 2.92Å; L385-F388 PolarHBondContact O-N 3.46Å; F388-G392 PolarHBondContact O-N 3.1Å; F388-T464 HydrophobicContact CB-CG2 3.61Å
389L95.3Very high94.6Very high43 Ų4362.4 Ų62.423%0.22533%0.333CS..Hα-helixtrans-64.2-45.7174.6-172.467.6000111.3L385 I386 I387 L391 G392 V393 M435L385-L389 VanDerWaalsContact O-CB 3.3Å; L385-L389 WeakPolarHBondContact O-CB 3.31Å; L385-L389 PolarHBondContact O-N 3.26Å; I386-L389 PolarHBondContact O-N 3.15Å; I387-L389 VanDerWaalsContact C-N 3.34Å; I387-L389 PolarHBondContact O-N 2.93Å; L389-L391 PolarHBondContact O-N 3.43Å; L389-G392 PolarHBondContact O-N 2.97Å; L389-V393 HydrophobicContact CD1-CG2 4.48Å; L389-V393 HydrophobicContact CG-CG2 4.38Å; L389-V393 WeakPolarHBondContact O-CB 3.41Å; L389-V393 WeakPolarHBondContact O-CG2 3.18Å; L389-V393 PolarHBondContact O-N 3.11Å; L389-M435 HydrophobicContact CD1-CB 4.11Å; L389-M435 HydrophobicContact CD1-CE 3.98Å; L389-M435 HydrophobicContact CD1-SD 4.2Å
390A96.7Very high94.9Very high58 Ų5858.9 Ų58.948%0.47931%0.311SS..Hα-helixtrans-63.2-42.3178.900000112.6I386 I387 V393 L394I386-A390 VanDerWaalsContact O-CB 3.25Å; I386-A390 WeakPolarHBondContact O-CB 3.49Å; I386-A390 PolarHBondContact O-N 3.23Å; I387-A390 PolarHBondContact O-N 2.84Å; A390-V393 PolarHBondContact O-N 2.7Å; A390-L394 WeakPolarHBondContact O-CB 3.49Å; A390-L394 PolarHBondContact O-N 3.4Å
391L96.7Very high95.2Very high92 Ų9255.6 Ų55.648%0.48229%0.291SS..Hα-helixtrans-63.6-45.8174.8-71.8175.3000111.5I387 L389 L394 I395I387-L391 HydrophobicContact CG2-CD1 3.98Å; I387-L391 HydrophobicContact CG2-CG 4.44Å; I387-L391 WeakPolarHBondContact O-CB 3.38Å; I387-L391 WeakPolarHBondContact O-CG 3.02Å; I387-L391 PolarHBondContact O-N 3.31Å; L389-L391 PolarHBondContact O-N 3.43Å; L391-L394 PolarHBondContact O-N 3.29Å; L391-I395 WeakPolarHBondContact O-CB 3.27Å; L391-I395 WeakPolarHBondContact O-CD1 3.26Å; L391-I395 VanDerWaalsContact O-CG1 3.26Å; L391-I395 WeakPolarHBondContact O-CG1 3.28Å; L391-I395 PolarHBondContact O-N 2.95Å
392G96.8Very high95.4Very high10 Ų1060.2 Ų60.210%0.10331%0.307CS..Hα-helixtrans-60.1-47.4175.800000112F388 L389 L394 I395 F396 M435F388-G392 PolarHBondContact O-N 3.1Å; L389-G392 PolarHBondContact O-N 2.97Å; G392-L394 VanDerWaalsContact C-N 3.33Å; G392-L394 PolarHBondContact O-N 2.99Å; G392-I395 PolarHBondContact O-N 3.32Å; G392-F396 WeakPolarHBondContact O-CB 3.43Å; G392-F396 WeakPolarHBondContact O-CD2 3.3Å; G392-F396 PolarHBondContact O-N 3.39Å; G392-M435 VanDerWaalsContact C-SD 3.55Å
393V97.9Very high95.6Very high13 Ų1357.7 Ų57.78%0.07930%0.298CS..Hα-helixtrans-57.1-46.2177166.60000111L389 A390 A397 F428 A431 V432 M435L389-V393 HydrophobicContact CD1-CG2 4.48Å; L389-V393 HydrophobicContact CG-CG2 4.38Å; L389-V393 WeakPolarHBondContact O-CB 3.41Å; L389-V393 WeakPolarHBondContact O-CG2 3.18Å; L389-V393 PolarHBondContact O-N 3.11Å; A390-V393 PolarHBondContact O-N 2.7Å; V393-A397 WeakPolarHBondContact O-CB 3.33Å; V393-A397 PolarHBondContact O-N 3.48Å; V393-F428 HydrophobicContact CG1-CB 3.83Å; V393-F428 HydrophobicContact CG1-CD1 3.65Å; V393-F428 HydrophobicContact CG1-CE1 4.48Å; V393-F428 HydrophobicContact CG1-CG 3.93Å; V393-A431 HydrophobicContact CB-CB 4.44Å; V393-A431 HydrophobicContact CG1-CB 4.23Å; V393-A431 HydrophobicContact CG2-CB 4.41Å; V393-V432 HydrophobicContact CG1-CG2 4.12Å; V393-V432 HydrophobicContact CG2-CB 4.46Å; V393-V432 HydrophobicContact CG2-CG2 3.52Å; V393-M435 HydrophobicContact CG2-SD 3.98Å
394L98.2Very high95.7Very high87 Ų8753.4 Ų53.446%0.45528%0.275SS..Hα-helixtrans-62.2-47177.9178.561.7000112.3A390 L391 G392 T398 F428A390-L394 WeakPolarHBondContact O-CB 3.49Å; A390-L394 PolarHBondContact O-N 3.4Å; L391-L394 PolarHBondContact O-N 3.29Å; G392-L394 VanDerWaalsContact C-N 3.33Å; G392-L394 PolarHBondContact O-N 2.99Å; L394-T398 WeakPolarHBondContact O-CB 3.41Å; L394-T398 PolarHBondContact O-N 2.97Å; L394-T398 VanDerWaalsContact O-N 3.08Å; L394-T398 PolarHBondContact O-OG1 3.4Å; L394-F428 HydrophobicContact CD1-CE1 3.98Å; L394-F428 HydrophobicContact CD1-CZ 4.08Å
395I98.1Very high95.6Very high91 Ų9151.5 Ų51.547%0.46726%0.262SS..Hα-helixtrans-63.8-52.3-178.4-70.9166000110.5L391 G392 T398 M399L391-I395 WeakPolarHBondContact O-CB 3.27Å; L391-I395 WeakPolarHBondContact O-CD1 3.26Å; L391-I395 VanDerWaalsContact O-CG1 3.26Å; L391-I395 WeakPolarHBondContact O-CG1 3.28Å; L391-I395 PolarHBondContact O-N 2.95Å; G392-I395 PolarHBondContact O-N 3.32Å; I395-T398 PolarHBondContact O-N 3.14Å; I395-M399 HydrophobicContact CG2-CE 3.52Å; I395-M399 HydrophobicContact CG2-SD 4.28Å; I395-M399 WeakPolarHBondContact O-CG 3.22Å; I395-M399 PolarHBondContact O-N 3Å
396F98.1Very high95.2Very high22 Ų2255.8 Ų55.810%0.09629%0.289CS..Hα-helixtrans-70.8-36.2-177.5-72.8-68.3000113G392 T398 M399 I400 A431 M435 V453 L456 C457 A460G392-F396 WeakPolarHBondContact O-CB 3.43Å; G392-F396 WeakPolarHBondContact O-CD2 3.3Å; G392-F396 PolarHBondContact O-N 3.39Å; F396-T398 VanDerWaalsContact C-N 3.29Å; F396-T398 PolarHBondContact O-N 3.33Å; F396-M399 HydrophobicContact CD1-CE 3.2Å; F396-M399 HydrophobicContact CE1-CE 3.37Å; F396-M399 HydrophobicContact CG-CE 3.95Å; F396-M399 HydrophobicContact CZ-CE 4.24Å; F396-M399 PolarHBondContact O-N 2.9Å; F396-I400 WeakPolarHBondContact O-CB 3.26Å; F396-I400 VanDerWaalsContact O-CG2 3.31Å; F396-I400 WeakPolarHBondContact O-CG2 3.45Å; F396-I400 PolarHBondContact O-N 3.5Å; F396-A431 HydrophobicContact CB-CB 4.38Å; F396-M435 HydrophobicContact CD2-SD 4.21Å; F396-V453 HydrophobicContact CD1-CG1 4.19Å; F396-L456 HydrophobicContact CE1-CB 4.03Å; F396-C457 HydrophobicContact CB-CB 4.21Å; F396-C457 HydrophobicContact CD1-CB 3.48Å; F396-C457 VanDerWaalsContact CD1-CB 3.48Å; F396-C457 HydrophobicContact CD2-CB 4.18Å; F396-C457 VanDerWaalsContact CE1-CA 3.44Å; F396-C457 HydrophobicContact CE1-CB 3.86Å; F396-C457 HydrophobicContact CG-CB 3.69Å; F396-C457 VanDerWaalsContact CG-SG 3.58Å; F396-C457 HydrophobicContact CZ-CB 4.38Å; F396-A460 HydrophobicContact CE2-CB 3.52Å; F396-A460 HydrophobicContact CZ-CB 3.56Å
397A97.9Very high94.4Very high0 Ų052.9 Ų52.90%029%0.285CS..Hα-helixtrans-64.3-34.7173.300000112.4V393 I400 Y401 I424 F428 A431V393-A397 WeakPolarHBondContact O-CB 3.33Å; V393-A397 PolarHBondContact O-N 3.48Å; A397-I400 WeakPolarHBondContact O-CG2 3.38Å; A397-Y401 WeakPolarHBondContact O-CB 3.47Å; A397-Y401 PolarHBondContact O-N 3.08Å; A397-I424 HydrophobicContact CB-CG2 4.21Å; A397-F428 HydrophobicContact CB-CD1 3.45Å; A397-F428 VanDerWaalsContact CB-CD1 3.45Å; A397-F428 HydrophobicContact CB-CE1 3.88Å; A397-A431 HydrophobicContact CB-CB 4.3Å
398T97.4Very high93.6Very high42 Ų4250.8 Ų50.826%0.25828%0.279SS..Hα-helixtrans-71.7-45.9174.9-550000110.9L394 I395 F396 I400 Y401 Y402L394-T398 WeakPolarHBondContact O-CB 3.41Å; L394-T398 PolarHBondContact O-N 2.97Å; L394-T398 VanDerWaalsContact O-N 3.08Å; L394-T398 PolarHBondContact O-OG1 3.4Å; I395-T398 PolarHBondContact O-N 3.14Å; F396-T398 VanDerWaalsContact C-N 3.29Å; F396-T398 PolarHBondContact O-N 3.33Å; T398-I400 PolarHBondContact O-N 2.78Å; T398-Y401 PolarHBondContact O-N 3.06Å; T398-Y402 HydrophobicContact CG2-CD2 3.95Å; T398-Y402 HydrophobicContact CG2-CE2 3.79Å; T398-Y402 VanDerWaalsContact O-CD2 3.26Å; T398-Y402 WeakPolarHBondContact O-CD2 3.24Å; T398-Y402 PolarHBondContact O-N 3.47Å
399M97.2Very high92.7Very high74 Ų7452.5 Ų52.537%0.36529%0.288SS..Hα-helixtrans-62.2-44.3178.9-73.4-172.3-59.500112.2I395 F396 Y402 A403 V453I395-M399 HydrophobicContact CG2-CE 3.52Å; I395-M399 HydrophobicContact CG2-SD 4.28Å; I395-M399 WeakPolarHBondContact O-CG 3.22Å; I395-M399 PolarHBondContact O-N 3Å; F396-M399 HydrophobicContact CD1-CE 3.2Å; F396-M399 HydrophobicContact CE1-CE 3.37Å; F396-M399 HydrophobicContact CG-CE 3.95Å; F396-M399 HydrophobicContact CZ-CE 4.24Å; F396-M399 PolarHBondContact O-N 2.9Å; M399-Y402 PolarHBondContact O-N 3.27Å; M399-A403 WeakPolarHBondContact O-CB 3.48Å; M399-A403 PolarHBondContact O-N 3.41Å; M399-V453 HydrophobicContact CB-CG1 3.82Å; M399-V453 HydrophobicContact CB-CG2 4.16Å
400I96Very high91.8Very high0 Ų056.6 Ų56.60%032%0.317CS..Hα-helixtrans-67.4-38.5-179.9-161.763.2000111.8F396 A397 T398 Y402 A403 E404 F421 W430 P445 G450 V453F396-I400 WeakPolarHBondContact O-CB 3.26Å; F396-I400 VanDerWaalsContact O-CG2 3.31Å; F396-I400 WeakPolarHBondContact O-CG2 3.45Å; F396-I400 PolarHBondContact O-N 3.5Å; A397-I400 WeakPolarHBondContact O-CG2 3.38Å; T398-I400 PolarHBondContact O-N 2.78Å; I400-Y402 VanDerWaalsContact C-N 3.31Å; I400-Y402 PolarHBondContact O-N 3.1Å; I400-A403 PolarHBondContact O-N 2.86Å; I400-E404 HydrophobicContact CD1-CG 4.16Å; I400-E404 HydrophobicContact CG1-CG 4.22Å; I400-E404 WeakPolarHBondContact O-CB 3.38Å; I400-E404 WeakPolarHBondContact O-CG 3.35Å; I400-E404 PolarHBondContact O-N 3.05Å; I400-F421 HydrophobicContact CB-CE1 4.38Å; I400-F421 HydrophobicContact CD1-CZ 4.49Å; I400-F421 HydrophobicContact CG1-CD1 4.03Å; I400-F421 HydrophobicContact CG1-CD2 4.18Å; I400-F421 HydrophobicContact CG1-CE1 3.68Å; I400-F421 HydrophobicContact CG1-CE2 3.85Å; I400-F421 HydrophobicContact CG1-CG 4.26Å; I400-F421 HydrophobicContact CG1-CZ 3.59Å; I400-F421 HydrophobicContact CG2-CD1 3.64Å; I400-F421 HydrophobicContact CG2-CE1 3.71Å; I400-F421 HydrophobicContact CG2-CG 4.36Å; I400-F421 HydrophobicContact CG2-CZ 4.48Å; I400-W430 HydrophobicContact CB-CE3 4.16Å; I400-W430 HydrophobicContact CB-CH2 4.08Å; I400-W430 HydrophobicContact CB-CZ3 3.64Å; I400-W430 HydrophobicContact CD1-CH2 3.84Å; I400-W430 HydrophobicContact CD1-CZ2 4.21Å; I400-W430 HydrophobicContact CD1-CZ3 4.27Å; I400-W430 HydrophobicContact CG1-CE3 4.14Å; I400-W430 HydrophobicContact CG1-CH2 3.82Å; I400-W430 HydrophobicContact CG1-CZ2 4.27Å; I400-W430 HydrophobicContact CG1-CZ3 3.76Å; I400-W430 HydrophobicContact CG2-CE3 3.78Å; I400-W430 HydrophobicContact CG2-CZ3 3.72Å; I400-P445 HydrophobicContact CD1-CB 3.84Å; I400-P445 HydrophobicContact CD1-CG 4.46Å; I400-G450 WeakPolarHBondContact CD1-O 3.47Å; I400-V453 HydrophobicContact CB-CG1 4.16Å; I400-V453 HydrophobicContact CD1-CB 4.19Å; I400-V453 HydrophobicContact CD1-CG1 4.13Å
401Y95Very high90.9Very high49 Ų4960.8 Ų60.819%0.19233%0.332CS..Hα-helixtrans-58.1-42.2176.9168.6-85.3000112.2A397 T398 R405 I424A397-Y401 WeakPolarHBondContact O-CB 3.47Å; A397-Y401 PolarHBondContact O-N 3.08Å; T398-Y401 PolarHBondContact O-N 3.06Å; Y401-R405 VanDerWaalsContact CE2-NH2 3.25Å; Y401-R405 WeakPolarHBondContact O-CG 3.27Å; Y401-R405 PolarHBondContact O-NH1 3.31Å; Y401-R405 VanDerWaalsContact OH-CZ 3.25Å; Y401-R405 PolarHBondContact OH-NH2 3.06Å; Y401-I424 HydrophobicContact CD1-CG1 4.17Å; Y401-I424 HydrophobicContact CD2-CG1 3.95Å; Y401-I424 HydrophobicContact CE2-CG1 4.36Å; Y401-I424 HydrophobicContact CG-CG1 3.85Å
402Y94.4Very high90.2Very high143 Ų14357.2 Ų57.256%0.56131%0.313SS*.Hα-helixtrans-78.9-42.7176.3-75.1-67.8000112.2T398 M399 I400 E404 R405 V406T398-Y402 HydrophobicContact CG2-CD2 3.95Å; T398-Y402 HydrophobicContact CG2-CE2 3.79Å; T398-Y402 VanDerWaalsContact O-CD2 3.26Å; T398-Y402 WeakPolarHBondContact O-CD2 3.24Å; T398-Y402 PolarHBondContact O-N 3.47Å; M399-Y402 PolarHBondContact O-N 3.27Å; I400-Y402 VanDerWaalsContact C-N 3.31Å; I400-Y402 PolarHBondContact O-N 3.1Å; Y402-E404 VanDerWaalsContact C-N 3.28Å; Y402-E404 PolarHBondContact O-N 3.27Å; Y402-R405 PolarHBondContact O-N 3.2Å; Y402-R405 VanDerWaalsContact O-N 3.13Å; Y402-V406 WeakPolarHBondContact O-CG2 3.41Å; Y402-V406 PolarHBondContact O-N 3.38Å
403A94.5Very high89.2Confident10 Ų1063.1 Ų63.18%0.08335%0.35CS..Hα-helixtrans-59.2-38.2-178.200000112.7M399 I400 T447 S449 V453M399-A403 WeakPolarHBondContact O-CB 3.48Å; M399-A403 PolarHBondContact O-N 3.41Å; I400-A403 PolarHBondContact O-N 2.86Å; A403-T447 PolarHBondContact O-OG1 3.15Å; A403-S449 PolarHBondContact O-OG 2.82Å; A403-S449 VanDerWaalsContact O-OG 3.09Å; A403-V453 HydrophobicContact CB-CG2 4.11Å
404E92.6Very high88.3Confident0 Ų065.6 Ų65.60%037%0.367CS..Hα-helixtrans-75.6-29179.1-71.1-73.8110.500112.6I400 Y402 V406 G407 H418 T419 F421 P445 Q446 T447I400-E404 HydrophobicContact CD1-CG 4.16Å; I400-E404 HydrophobicContact CG1-CG 4.22Å; I400-E404 WeakPolarHBondContact O-CB 3.38Å; I400-E404 WeakPolarHBondContact O-CG 3.35Å; I400-E404 PolarHBondContact O-N 3.05Å; Y402-E404 VanDerWaalsContact C-N 3.28Å; Y402-E404 PolarHBondContact O-N 3.27Å; E404-V406 VanDerWaalsContact C-N 3.3Å; E404-V406 PolarHBondContact O-N 2.78Å; E404-G407 PolarHBondContact O-N 2.68Å; E404-H418 PolarHBondContact O-NE2 3.4Å; E404-T419 HydrophobicContact CB-CG2 4.49Å; E404-T419 WeakPolarHBondContact CB-OG1 3.37Å; E404-T419 PolarHBondContact OE2-OG1 3.31Å; E404-F421 HydrophobicContact CB-CD2 4.32Å; E404-F421 HydrophobicContact CG-CD2 3.66Å; E404-F421 HydrophobicContact CG-CE2 4.07Å; E404-F421 HydrophobicContact CG-CG 4.45Å; E404-P445 WeakPolarHBondContact OE1-CB 3.41Å; E404-Q446 PolarHBondContact OE1-N 2.85Å; E404-Q446 VanDerWaalsContact OE1-N 3.12Å; E404-Q446 PolarHBondContact OE2-N 2.99Å; E404-T447 WeakPolarHBondContact OE1-CB 3.41Å; E404-T447 PolarHBondContact OE1-N 2.85Å; E404-T447 PolarHBondContact OE1-OG1 3.36Å
405R89.7Confident87.3Confident50 Ų5062.1 Ų62.119%0.18935%0.351CS..Hα-helixtrans-72.4-21.2175.6-78.8-171.5170.868.8-3.2114Y401 Y402 G407 A408 A415 F421 K422Y401-R405 VanDerWaalsContact CE2-NH2 3.25Å; Y401-R405 WeakPolarHBondContact O-CG 3.27Å; Y401-R405 PolarHBondContact O-NH1 3.31Å; Y401-R405 VanDerWaalsContact OH-CZ 3.25Å; Y401-R405 PolarHBondContact OH-NH2 3.06Å; Y402-R405 PolarHBondContact O-N 3.2Å; Y402-R405 VanDerWaalsContact O-N 3.13Å; R405-G407 PolarHBondContact O-N 3.02Å; R405-A408 VanDerWaalsContact O-CB 3.26Å; R405-A408 WeakPolarHBondContact O-CB 3.29Å; R405-A408 PolarHBondContact O-N 3.46Å; R405-A408 VanDerWaalsContact O-N 3.13Å; R405-A415 HydrophobicContact CB-CB 4.33Å; R405-A415 HydrophobicContact CG-CB 3.85Å; R405-F421 PolarHBondContact NH1-O 3.17Å; R405-K422 PolarHBondContact NH2-O 2.93Å
406V84.4Confident86.4Confident120 Ų12059.6 Ų59.673%0.72734%0.342SS*.THydrogen-bonded Turntrans-61.5-29.2176.4177.20000111.4Y402 E404Y402-V406 WeakPolarHBondContact O-CG2 3.41Å; Y402-V406 PolarHBondContact O-N 3.38Å; E404-V406 VanDerWaalsContact C-N 3.3Å; E404-V406 PolarHBondContact O-N 2.78Å
407G77Confident85.5Confident45 Ų4566.4 Ų66.446%0.46437%0.374SS..THydrogen-bonded Turntrans-88.59.5177.400000115.4E404 R405E404-G407 PolarHBondContact O-N 2.68Å; R405-G407 PolarHBondContact O-N 3.02Å
408A77.7Confident84.7Confident30 Ų3067.9 Ų67.925%0.24838%0.381CS..  trans-63.3138.2-175.500000112.4R405 A415 H418R405-A408 VanDerWaalsContact O-CB 3.26Å; R405-A408 WeakPolarHBondContact O-CB 3.29Å; R405-A408 PolarHBondContact O-N 3.46Å; R405-A408 VanDerWaalsContact O-N 3.13Å; A408-A415 HydrophobicContact CB-CB 3.48Å; A408-A415 VanDerWaalsContact CB-CB 3.48Å; A408-H418 WeakPolarHBondContact CA-CE1 3.22Å; A408-H418 WeakPolarHBondContact CB-CE1 3.3Å
409Q74.4Confident84.3Confident123 Ų12366.2 Ų66.258%0.57537%0.37SS*.  trans-66.7140.7174.2-64.9-177.816.500109.6N411 D412Q409-N411 PolarHBondContact O-N 2.95Å; Q409-D412 PolarHBondContact O-N 3.34Å
410P77.1Confident84Confident130 Ų13066 Ų6684%0.84437%0.369SS*.THydrogen-bonded Turntrans-57.2-22.9179.9-24.132.6000114.2D412P410-D412 VanDerWaalsContact C-N 3.31Å
411N78.8Confident83.9Confident145 Ų14566 Ų6678%0.77537%0.369SS*.THydrogen-bonded Turntrans-83-6-178-61.5-13.5000113.3Q409 P413Q409-N411 PolarHBondContact O-N 2.95Å; N411-P413 WeakPolarHBondContact O-CD 3.35Å
412D81.1Confident83.7Confident17 Ų1769.6 Ų69.69%0.09139%0.385CS..  trans-110.892175.6178.910.5000110.5Q409 P410 S414 A415 S416 E417Q409-D412 PolarHBondContact O-N 3.34Å; P410-D412 VanDerWaalsContact C-N 3.31Å; D412-S414 PolarHBondContact O-N 3.23Å; D412-S414 VanDerWaalsContact O-N 3.13Å; D412-S414 WeakPolarHBondContact OD1-CA 3.46Å; D412-S414 WeakPolarHBondContact OD1-CB 3.23Å; D412-S414 PolarHBondContact OD1-N 3.03Å; D412-S414 PolarHBondContact OD1-OG 3.18Å; D412-A415 VanDerWaalsContact CG-N 3.35Å; D412-A415 PolarHBondContact O-N 3.08Å; D412-A415 PolarHBondContact OD1-N 2.81Å; D412-A415 VanDerWaalsContact OD2-CA 3.31Å; D412-A415 WeakPolarHBondContact OD2-CA 3.28Å; D412-A415 PolarHBondContact OD2-N 3.23Å; D412-S416 PolarHBondContact OD2-N 3.18Å; D412-E417 PolarHBondContact OD2-N 2.95Å
413P75.8Confident83.6Confident135 Ų13566 Ų6688%0.87738%0.376SS*.THydrogen-bonded Turntrans-64.1-17.417925.3-32.9000113.2N411N411-P413 WeakPolarHBondContact O-CD 3.35Å
414S79.1Confident83.7Confident64 Ų6467.9 Ų67.945%0.44838%0.384SS..THydrogen-bonded Turntrans-87.1-15.8177.376.90000113.2D412 S416D412-S414 PolarHBondContact O-N 3.23Å; D412-S414 VanDerWaalsContact O-N 3.13Å; D412-S414 WeakPolarHBondContact OD1-CA 3.46Å; D412-S414 WeakPolarHBondContact OD1-CB 3.23Å; D412-S414 PolarHBondContact OD1-N 3.03Å; D412-S414 PolarHBondContact OD1-OG 3.18Å; S414-S416 PolarHBondContact O-N 3.25Å; S414-S416 WeakPolarHBondContact OG-CB 3.07Å; S414-S416 PolarHBondContact OG-N 3.06Å; S414-S416 PolarHBondContact OG-OG 3Å
415A78.1Confident83.9Confident14 Ų1471.7 Ų71.712%0.11641%0.409CS..SBendtrans49.239.7-173.900000112.8R405 A408 D412 H418R405-A415 HydrophobicContact CB-CB 4.33Å; R405-A415 HydrophobicContact CG-CB 3.85Å; A408-A415 HydrophobicContact CB-CB 3.48Å; A408-A415 VanDerWaalsContact CB-CB 3.48Å; D412-A415 VanDerWaalsContact CG-N 3.35Å; D412-A415 PolarHBondContact O-N 3.08Å; D412-A415 PolarHBondContact OD1-N 2.81Å; D412-A415 VanDerWaalsContact OD2-CA 3.31Å; D412-A415 WeakPolarHBondContact OD2-CA 3.28Å; D412-A415 PolarHBondContact OD2-N 3.23Å; A415-H418 PolarHBondContact O-CE1 3.39Å
416S77.5Confident84.2Confident39 Ų3972.3 Ų72.327%0.27342%0.415SS..  trans-121.5-12.8-172.577.30000114.8D412 S414D412-S416 PolarHBondContact OD2-N 3.18Å; S414-S416 PolarHBondContact O-N 3.25Å; S414-S416 WeakPolarHBondContact OG-CB 3.07Å; S414-S416 PolarHBondContact OG-N 3.06Å; S414-S416 PolarHBondContact OG-OG 3Å
417E79.6Confident84.8Confident164 Ų16466.7 Ų66.777%0.76638%0.381SS*.SBendtrans-76.3-35.3-178.8-68.5-166.6158.900112.7D412D412-E417 PolarHBondContact OD2-N 2.95Å
418H82.5Confident85.8Confident32 Ų3268 Ų6815%0.14837%0.374CS..SBendtrans-89.5-0.7-17670.2-68.8000113.9E404 A408 A415 Q446E404-H418 PolarHBondContact O-NE2 3.4Å; A408-H418 WeakPolarHBondContact CA-CE1 3.22Å; A408-H418 WeakPolarHBondContact CB-CE1 3.3Å; A415-H418 PolarHBondContact O-CE1 3.39Å; H418-Q446 PolarHBondContact O-OE1 3.3Å
419T89Confident86.7Confident6 Ų672.3 Ų72.34%0.03738%0.384CS..  trans-141.3146.6-173.6-171.20000112.9E404 F421E404-T419 HydrophobicContact CB-CG2 4.49Å; E404-T419 WeakPolarHBondContact CB-OG1 3.37Å; E404-T419 PolarHBondContact OE2-OG1 3.31Å; T419-F421 VanDerWaalsContact C-N 3.28Å; T419-F421 WeakPolarHBondContact OG1-CD2 3.49Å; T419-F421 PolarHBondContact OG1-N 2.94Å
420Q90.5Very high87.9Confident71 Ų7167 Ų6733%0.33236%0.359SS..SBendtrans-80.6-12.8174.3-62.7172.2-5600111.8K422 D442 M443Q420-K422 VanDerWaalsContact C-N 3.31Å; Q420-K422 PolarHBondContact O-N 3Å; Q420-D442 PolarHBondContact NE2-O 3.42Å; Q420-D442 PolarHBondContact OE1-O 3Å; Q420-M443 HydrophobicContact CB-CE 4.04Å; Q420-M443 HydrophobicContact CB-CG 4.35Å; Q420-M443 VanDerWaalsContact OE1-CA 3.29Å
421F93Very high88.9Confident0 Ų060.9 Ų60.90%032%0.319CS..  trans-85.660.8-175.5-61.6-82.9000113.1I400 E404 R405 T419 N423 W430 M443I400-F421 HydrophobicContact CB-CE1 4.38Å; I400-F421 HydrophobicContact CD1-CZ 4.49Å; I400-F421 HydrophobicContact CG1-CD1 4.03Å; I400-F421 HydrophobicContact CG1-CD2 4.18Å; I400-F421 HydrophobicContact CG1-CE1 3.68Å; I400-F421 HydrophobicContact CG1-CE2 3.85Å; I400-F421 HydrophobicContact CG1-CG 4.26Å; I400-F421 HydrophobicContact CG1-CZ 3.59Å; I400-F421 HydrophobicContact CG2-CD1 3.64Å; I400-F421 HydrophobicContact CG2-CE1 3.71Å; I400-F421 HydrophobicContact CG2-CG 4.36Å; I400-F421 HydrophobicContact CG2-CZ 4.48Å; E404-F421 HydrophobicContact CB-CD2 4.32Å; E404-F421 HydrophobicContact CG-CD2 3.66Å; E404-F421 HydrophobicContact CG-CE2 4.07Å; E404-F421 HydrophobicContact CG-CG 4.45Å; R405-F421 PolarHBondContact NH1-O 3.17Å; T419-F421 VanDerWaalsContact C-N 3.28Å; T419-F421 WeakPolarHBondContact OG1-CD2 3.49Å; T419-F421 PolarHBondContact OG1-N 2.94Å; F421-N423 PolarHBondContact O-N 3.44Å; F421-W430 HydrophobicContact CE1-CB 3.66Å; F421-W430 AromaticContact CE1-CD2 3.61Å; F421-W430 HydrophobicContact CE1-CD2 3.61Å; F421-W430 AromaticContact CE1-CE3 3.91Å; F421-W430 HydrophobicContact CE1-CE3 3.91Å; F421-W430 AromaticContact CE1-CG 3.49Å; F421-W430 HydrophobicContact CE1-CG 3.49Å; F421-W430 VanDerWaalsContact CE1-CG 3.49Å; F421-W430 HydrophobicContact CZ-CB 4.25Å; F421-W430 AromaticContact CZ-CD1 3.83Å; F421-W430 AromaticContact CZ-CD2 3.74Å; F421-W430 HydrophobicContact CZ-CD2 3.74Å; F421-W430 AromaticContact CZ-CE2 3.93Å; F421-W430 HydrophobicContact CZ-CE3 4.34Å; F421-W430 AromaticContact CZ-CG 3.67Å; F421-W430 HydrophobicContact CZ-CG 3.67Å; F421-W430 AromaticContact CZ-NE1 3.96Å; F421-M443 HydrophobicContact CD1-CE 3.61Å; F421-M443 HydrophobicContact CE1-CE 3.67Å; F421-M443 HydrophobicContact CG-CE 4.15Å; F421-M443 HydrophobicContact CZ-CE 4.24Å
422K91.4Very high89.7Confident123 Ų12356.5 Ų56.554%0.53530%0.297SS..  trans-64.6-36.9-172.8-58.6-175178.5-174.60113.9R405 Q420 I426R405-K422 PolarHBondContact NH2-O 2.93Å; Q420-K422 VanDerWaalsContact C-N 3.31Å; Q420-K422 PolarHBondContact O-N 3Å; K422-I426 HydrophobicContact CB-CD1 4.26Å
423N92.9Very high90.5Very high69 Ų6955.9 Ų55.937%0.36929%0.294SS..SBendtrans-151.215517948.8-65.4000110.8F421 I426 G427F421-N423 PolarHBondContact O-N 3.44Å; N423-I426 WeakPolarHBondContact O-CB 3.48Å; N423-I426 PolarHBondContact O-N 3.27Å; N423-I426 WeakPolarHBondContact OD1-CD1 3.19Å; N423-I426 WeakPolarHBondContact OD1-CG1 2.95Å; N423-G427 PolarHBondContact O-N 3.38Å
424I95.8Very high91.6Very high49 Ų4950.6 Ų50.625%0.25126%0.259SS..Hα-helixtrans-54-42.8-174.1-58.9171.9000112.7A397 Y401 I426 G427 F428A397-I424 HydrophobicContact CB-CG2 4.21Å; Y401-I424 HydrophobicContact CD1-CG1 4.17Å; Y401-I424 HydrophobicContact CD2-CG1 3.95Å; Y401-I424 HydrophobicContact CE2-CG1 4.36Å; Y401-I424 HydrophobicContact CG-CG1 3.85Å; I424-I426 VanDerWaalsContact C-N 3.3Å; I424-I426 PolarHBondContact O-N 2.86Å; I424-G427 CarbonylContact O-C 3.59Å; I424-G427 VanDerWaalsContact O-CA 3.28Å; I424-G427 WeakPolarHBondContact O-CA 3.46Å; I424-G427 PolarHBondContact O-N 3.41Å; I424-F428 HydrophobicContact CG2-CD1 4.38Å; I424-F428 HydrophobicContact CG2-CE1 3.65Å; I424-F428 HydrophobicContact CG2-CZ 4.03Å; I424-F428 PolarHBondContact O-N 3.19Å
425P97.2Very high92.4Very high80 Ų8047.6 Ų47.652%0.51924%0.238SC..Hα-helixtrans-61.3-31.5176.2-26.836.1000115.2G427 F428P425-G427 VanDerWaalsContact C-N 3.32Å; P425-F428 HydrophobicContact CB-CD2 4.28Å; P425-F428 HydrophobicContact CB-CE2 4.41Å; P425-F428 WeakPolarHBondContact O-CB 3.01Å; P425-F428 PolarHBondContact O-N 3Å
426I95.5Very high93.3Very high63 Ų6348.8 Ų48.832%0.32324%0.244SC..Hα-helixtrans-68.9-37.8171.9-64.2-178000109.5K422 N423 I424 F428 W429 M443K422-I426 HydrophobicContact CB-CD1 4.26Å; N423-I426 WeakPolarHBondContact O-CB 3.48Å; N423-I426 PolarHBondContact O-N 3.27Å; N423-I426 WeakPolarHBondContact OD1-CD1 3.19Å; N423-I426 WeakPolarHBondContact OD1-CG1 2.95Å; I424-I426 VanDerWaalsContact C-N 3.3Å; I424-I426 PolarHBondContact O-N 2.86Å; I426-F428 PolarHBondContact O-N 3.21Å; I426-W429 WeakPolarHBondContact O-CB 3.47Å; I426-W429 PolarHBondContact O-N 3.28Å; I426-M443 HydrophobicContact CG2-CE 3.64Å; I426-M443 HydrophobicContact CG2-SD 3.91Å
427G96.5Very high94.2Very high1 Ų151.6 Ų51.61%0.0126%0.26CS..Hα-helixtrans-60.3-26.3171.500000114.2N423 I424 P425 W429 W430 A431N423-G427 PolarHBondContact O-N 3.38Å; I424-G427 CarbonylContact O-C 3.59Å; I424-G427 VanDerWaalsContact O-CA 3.28Å; I424-G427 WeakPolarHBondContact O-CA 3.46Å; I424-G427 PolarHBondContact O-N 3.41Å; P425-G427 VanDerWaalsContact C-N 3.32Å; G427-W429 VanDerWaalsContact C-N 3.3Å; G427-W429 PolarHBondContact O-N 2.91Å; G427-W430 PolarHBondContact O-N 3.08Å; G427-A431 WeakPolarHBondContact O-CB 3.4Å; G427-A431 PolarHBondContact O-N 3.42Å
428F98Very high95Very high74 Ų7448.6 Ų48.633%0.32525%0.248SC..Hα-helixtrans-60.6-39.6174.6-63.8-22.2000112.2V393 L394 A397 I424 P425 I426 A431 V432V393-F428 HydrophobicContact CG1-CB 3.83Å; V393-F428 HydrophobicContact CG1-CD1 3.65Å; V393-F428 HydrophobicContact CG1-CE1 4.48Å; V393-F428 HydrophobicContact CG1-CG 3.93Å; L394-F428 HydrophobicContact CD1-CE1 3.98Å; L394-F428 HydrophobicContact CD1-CZ 4.08Å; A397-F428 HydrophobicContact CB-CD1 3.45Å; A397-F428 VanDerWaalsContact CB-CD1 3.45Å; A397-F428 HydrophobicContact CB-CE1 3.88Å; I424-F428 HydrophobicContact CG2-CD1 4.38Å; I424-F428 HydrophobicContact CG2-CE1 3.65Å; I424-F428 HydrophobicContact CG2-CZ 4.03Å; I424-F428 PolarHBondContact O-N 3.19Å; P425-F428 HydrophobicContact CB-CD2 4.28Å; P425-F428 HydrophobicContact CB-CE2 4.41Å; P425-F428 WeakPolarHBondContact O-CB 3.01Å; P425-F428 PolarHBondContact O-N 3Å; I426-F428 PolarHBondContact O-N 3.21Å; F428-A431 PolarHBondContact O-N 2.92Å; F428-V432 WeakPolarHBondContact O-CB 3.49Å; F428-V432 VanDerWaalsContact O-CG2 3.28Å; F428-V432 WeakPolarHBondContact O-CG2 3.2Å; F428-V432 PolarHBondContact O-N 3.37Å
429W97.7Very high95.6Very high120 Ų12049.6 Ų49.646%0.45527%0.268SS..Hα-helixtrans-59.1-51.7177.3167.7-110.8000111.3I426 G427 A431 V432 V433 Y440 D442I426-W429 WeakPolarHBondContact O-CB 3.47Å; I426-W429 PolarHBondContact O-N 3.28Å; G427-W429 VanDerWaalsContact C-N 3.3Å; G427-W429 PolarHBondContact O-N 2.91Å; W429-A431 PolarHBondContact O-N 2.86Å; W429-V432 PolarHBondContact O-N 3.04Å; W429-V433 HydrophobicContact CD2-CG2 4.07Å; W429-V433 HydrophobicContact CE3-CG2 4.17Å; W429-V433 HydrophobicContact CH2-CG2 4.01Å; W429-V433 HydrophobicContact CZ2-CG2 3.89Å; W429-V433 HydrophobicContact CZ3-CG2 4.14Å; W429-V433 WeakPolarHBondContact O-CB 3.23Å; W429-V433 VanDerWaalsContact O-CG2 3.29Å; W429-V433 WeakPolarHBondContact O-CG2 3.42Å; W429-V433 PolarHBondContact O-N 3.06Å; W429-V433 VanDerWaalsContact O-N 3.08Å; W429-Y440 HydrophobicContact CH2-CD2 4.1Å; W429-Y440 AromaticContact CH2-CE2 3.72Å; W429-Y440 HydrophobicContact CH2-CE2 3.72Å; W429-Y440 AromaticContact CZ2-CD2 3.71Å; W429-Y440 HydrophobicContact CZ2-CD2 3.71Å; W429-Y440 AromaticContact CZ2-CE2 3.83Å; W429-Y440 HydrophobicContact CZ2-CE2 3.83Å; W429-D442 PolarHBondContact NE1-OD2 3.23Å
430W97.9Very high96Very high12 Ų1256.5 Ų56.55%0.04529%0.294CS..Hα-helixtrans-59.5-47.517617382000111.9I400 F421 G427 V432 V433 T434 M443 V453 C457I400-W430 HydrophobicContact CB-CE3 4.16Å; I400-W430 HydrophobicContact CB-CH2 4.08Å; I400-W430 HydrophobicContact CB-CZ3 3.64Å; I400-W430 HydrophobicContact CD1-CH2 3.84Å; I400-W430 HydrophobicContact CD1-CZ2 4.21Å; I400-W430 HydrophobicContact CD1-CZ3 4.27Å; I400-W430 HydrophobicContact CG1-CE3 4.14Å; I400-W430 HydrophobicContact CG1-CH2 3.82Å; I400-W430 HydrophobicContact CG1-CZ2 4.27Å; I400-W430 HydrophobicContact CG1-CZ3 3.76Å; I400-W430 HydrophobicContact CG2-CE3 3.78Å; I400-W430 HydrophobicContact CG2-CZ3 3.72Å; F421-W430 HydrophobicContact CE1-CB 3.66Å; F421-W430 AromaticContact CE1-CD2 3.61Å; F421-W430 HydrophobicContact CE1-CD2 3.61Å; F421-W430 AromaticContact CE1-CE3 3.91Å; F421-W430 HydrophobicContact CE1-CE3 3.91Å; F421-W430 AromaticContact CE1-CG 3.49Å; F421-W430 HydrophobicContact CE1-CG 3.49Å; F421-W430 VanDerWaalsContact CE1-CG 3.49Å; F421-W430 HydrophobicContact CZ-CB 4.25Å; F421-W430 AromaticContact CZ-CD1 3.83Å; F421-W430 AromaticContact CZ-CD2 3.74Å; F421-W430 HydrophobicContact CZ-CD2 3.74Å; F421-W430 AromaticContact CZ-CE2 3.93Å; F421-W430 HydrophobicContact CZ-CE3 4.34Å; F421-W430 AromaticContact CZ-CG 3.67Å; F421-W430 HydrophobicContact CZ-CG 3.67Å; F421-W430 AromaticContact CZ-NE1 3.96Å; G427-W430 PolarHBondContact O-N 3.08Å; W430-V432 PolarHBondContact O-N 2.85Å; W430-V433 PolarHBondContact O-N 3.4Å; W430-T434 PolarHBondContact NE1-OG1 3.34Å; W430-T434 WeakPolarHBondContact O-CB 3.45Å; W430-T434 PolarHBondContact O-N 3.4Å; W430-T434 PolarHBondContact O-OG1 3.43Å; W430-M443 HydrophobicContact CB-CB 4.16Å; W430-M443 HydrophobicContact CB-CE 4.34Å; W430-M443 HydrophobicContact CB-SD 4.25Å; W430-M443 HydrophobicContact CG-CB 4.36Å; W430-V453 HydrophobicContact CH2-CG1 4.48Å; W430-C457 HydrophobicContact CH2-CB 4.24Å
431A98Very high96.2Very high0 Ų055.5 Ų55.50%030%0.303CS..Hα-helixtrans-62.2-41.4-17800000112.1V393 F396 A397 G427 F428 W429 M435V393-A431 HydrophobicContact CB-CB 4.44Å; V393-A431 HydrophobicContact CG1-CB 4.23Å; V393-A431 HydrophobicContact CG2-CB 4.41Å; F396-A431 HydrophobicContact CB-CB 4.38Å; A397-A431 HydrophobicContact CB-CB 4.3Å; G427-A431 WeakPolarHBondContact O-CB 3.4Å; G427-A431 PolarHBondContact O-N 3.42Å; F428-A431 PolarHBondContact O-N 2.92Å; W429-A431 PolarHBondContact O-N 2.86Å; A431-M435 VanDerWaalsContact O-CB 3.23Å; A431-M435 WeakPolarHBondContact O-CB 3.38Å; A431-M435 WeakPolarHBondContact O-CG 3.29Å; A431-M435 PolarHBondContact O-N 3.49Å
432V97.5Very high96.3Very high53 Ų5359 Ų5932%0.32132%0.321SS..Hα-helixtrans-60.1-52.9173.9170.70000110.3V393 F428 W429 W430 T434 M435 T436V393-V432 HydrophobicContact CG1-CG2 4.12Å; V393-V432 HydrophobicContact CG2-CB 4.46Å; V393-V432 HydrophobicContact CG2-CG2 3.52Å; F428-V432 WeakPolarHBondContact O-CB 3.49Å; F428-V432 VanDerWaalsContact O-CG2 3.28Å; F428-V432 WeakPolarHBondContact O-CG2 3.2Å; F428-V432 PolarHBondContact O-N 3.37Å; W429-V432 PolarHBondContact O-N 3.04Å; W430-V432 PolarHBondContact O-N 2.85Å; V432-T434 VanDerWaalsContact C-N 3.31Å; V432-T434 PolarHBondContact O-N 3.42Å; V432-M435 PolarHBondContact O-N 3.47Å; V432-T436 WeakPolarHBondContact O-CG2 3.46Å; V432-T436 PolarHBondContact O-N 3.27Å; V432-T436 PolarHBondContact O-OG1 3.06Å
433V97.7Very high96.5Very high4 Ų454.1 Ų54.12%0.02430%0.301CS..Hα-helixtrans-60.7-37.9-177.6168.70000112.2W429 W430 T437 L438 G439 Y440W429-V433 HydrophobicContact CD2-CG2 4.07Å; W429-V433 HydrophobicContact CE3-CG2 4.17Å; W429-V433 HydrophobicContact CH2-CG2 4.01Å; W429-V433 HydrophobicContact CZ2-CG2 3.89Å; W429-V433 HydrophobicContact CZ3-CG2 4.14Å; W429-V433 WeakPolarHBondContact O-CB 3.23Å; W429-V433 VanDerWaalsContact O-CG2 3.29Å; W429-V433 WeakPolarHBondContact O-CG2 3.42Å; W429-V433 PolarHBondContact O-N 3.06Å; W429-V433 VanDerWaalsContact O-N 3.08Å; W430-V433 PolarHBondContact O-N 3.4Å; V433-T437 PolarHBondContact O-N 2.81Å; V433-L438 HydrophobicContact CG1-CB 4.02Å; V433-L438 PolarHBondContact O-N 2.94Å; V433-G439 PolarHBondContact O-N 2.96Å; V433-Y440 HydrophobicContact CB-CD2 4.39Å; V433-Y440 HydrophobicContact CG1-CD2 3.67Å; V433-Y440 HydrophobicContact CG1-CE2 4.31Å; V433-Y440 HydrophobicContact CG1-CG 4.3Å; V433-Y440 HydrophobicContact CG2-CD2 3.72Å; V433-Y440 HydrophobicContact CG2-CE2 3.83Å
434T97.6Very high96.6Very high24 Ų2456.8 Ų56.815%0.14731%0.307CS..Hα-helixtrans-75-44.9177-57.60000112W430 V432 T436 T437 C457 A458W430-T434 PolarHBondContact NE1-OG1 3.34Å; W430-T434 WeakPolarHBondContact O-CB 3.45Å; W430-T434 PolarHBondContact O-N 3.4Å; W430-T434 PolarHBondContact O-OG1 3.43Å; V432-T434 VanDerWaalsContact C-N 3.31Å; V432-T434 PolarHBondContact O-N 3.42Å; T434-T436 VanDerWaalsContact C-N 3.32Å; T434-T436 PolarHBondContact O-N 2.89Å; T434-T437 PolarHBondContact O-N 3.28Å; T434-C457 HydrophobicContact CG2-CB 4.16Å; T434-A458 HydrophobicContact CG2-CB 4.17Å
435M96.7Very high96.5Very high1 Ų155.4 Ų55.41%0.00530%0.301CS..Hα-helixtrans-64.7-35.3179.4-74.9-174.274.400112.6L389 G392 V393 F396 A431 V432 T437 C457 G461L389-M435 HydrophobicContact CD1-CB 4.11Å; L389-M435 HydrophobicContact CD1-CE 3.98Å; L389-M435 HydrophobicContact CD1-SD 4.2Å; G392-M435 VanDerWaalsContact C-SD 3.55Å; V393-M435 HydrophobicContact CG2-SD 3.98Å; F396-M435 HydrophobicContact CD2-SD 4.21Å; A431-M435 VanDerWaalsContact O-CB 3.23Å; A431-M435 WeakPolarHBondContact O-CB 3.38Å; A431-M435 WeakPolarHBondContact O-CG 3.29Å; A431-M435 PolarHBondContact O-N 3.49Å; V432-M435 PolarHBondContact O-N 3.47Å; M435-T437 PolarHBondContact O-N 3.18Å; M435-C457 VanDerWaalsContact CG-SG 3.58Å; M435-G461 CarbonylContact O-C 3.52Å; M435-G461 VanDerWaalsContact O-CA 3.27Å; M435-G461 WeakPolarHBondContact O-CA 3.45Å
436T96Very high96.2Very high40 Ų4056.1 Ų56.125%0.24530%0.297CS..THydrogen-bonded Turntrans-8510.417563.60000113.2V432 T434 L438 I465V432-T436 WeakPolarHBondContact O-CG2 3.46Å; V432-T436 PolarHBondContact O-N 3.27Å; V432-T436 PolarHBondContact O-OG1 3.06Å; T434-T436 VanDerWaalsContact C-N 3.32Å; T434-T436 PolarHBondContact O-N 2.89Å; T436-L438 PolarHBondContact O-N 3.31Å; T436-L438 WeakPolarHBondContact OG1-CD1 3.38Å; T436-L438 WeakPolarHBondContact OG1-CG 3.49Å; T436-I465 HydrophobicContact CG2-CD1 4.22Å
437T96.4Very high96.1Very high98 Ų9854.1 Ų54.160%0.60129%0.288SS*.THydrogen-bonded Turntrans54.726178.567.10000114.6V433 T434 M435 V462V433-T437 PolarHBondContact O-N 2.81Å; T434-T437 PolarHBondContact O-N 3.28Å; M435-T437 PolarHBondContact O-N 3.18Å; T437-V462 HydrophobicContact CG2-CG2 3.59Å
438L97Very high95.9Very high100 Ų10063.9 Ų63.952%0.52433%0.325SS..  trans-75.7-50.7178.1-71.7174.9000110.8V433 T436 Y440V433-L438 HydrophobicContact CG1-CB 4.02Å; V433-L438 PolarHBondContact O-N 2.94Å; T436-L438 PolarHBondContact O-N 3.31Å; T436-L438 WeakPolarHBondContact OG1-CD1 3.38Å; T436-L438 WeakPolarHBondContact OG1-CG 3.49Å; L438-Y440 HydrophobicContact CD1-CE2 4.25Å
439G95.7Very high95.7Very high54 Ų5462.3 Ų62.356%0.55732%0.322SS*.  trans58.156.5172.700000115.4V433 G441V433-G439 PolarHBondContact O-N 2.96Å; G439-G441 PolarHBondContact O-N 3.25Å
440Y96.6Very high95.6Very high151 Ų15156.6 Ų56.659%0.59230%0.301SS*.  trans-57.9-29.6179-66.5-58.8000114.2W429 V433 L438 D442W429-Y440 HydrophobicContact CH2-CD2 4.1Å; W429-Y440 AromaticContact CH2-CE2 3.72Å; W429-Y440 HydrophobicContact CH2-CE2 3.72Å; W429-Y440 AromaticContact CZ2-CD2 3.71Å; W429-Y440 HydrophobicContact CZ2-CD2 3.71Å; W429-Y440 AromaticContact CZ2-CE2 3.83Å; W429-Y440 HydrophobicContact CZ2-CE2 3.83Å; V433-Y440 HydrophobicContact CB-CD2 4.39Å; V433-Y440 HydrophobicContact CG1-CD2 3.67Å; V433-Y440 HydrophobicContact CG1-CE2 4.31Å; V433-Y440 HydrophobicContact CG1-CG 4.3Å; V433-Y440 HydrophobicContact CG2-CD2 3.72Å; V433-Y440 HydrophobicContact CG2-CE2 3.83Å; L438-Y440 HydrophobicContact CD1-CE2 4.25Å; Y440-D442 VanDerWaalsContact C-N 3.32Å; Y440-D442 WeakPolarHBondContact CB-OD1 3.43Å
441G94.8Very high95.5Very high49 Ų4961 Ų6151%0.50532%0.323SS..SBendtrans81.77.2179.600000114.7G439 M443G439-G441 PolarHBondContact O-N 3.25Å; G441-M443 VanDerWaalsContact C-N 3.34Å
442D95.8Very high95.5Very high74 Ų7465.3 Ų65.340%0.39635%0.346SS..SBendtrans-70.9-30.3173.364.3-44000112.5Q420 W429 Y440Q420-D442 PolarHBondContact NE2-O 3.42Å; Q420-D442 PolarHBondContact OE1-O 3Å; W429-D442 PolarHBondContact NE1-OD2 3.23Å; Y440-D442 VanDerWaalsContact C-N 3.32Å; Y440-D442 WeakPolarHBondContact CB-OD1 3.43Å
443M94.5Very high95.5Very high20 Ų2063.6 Ų63.610%0.09934%0.336CS..SBendtrans-125.7132.8171.3-68.4-174.270.500111.5Q420 F421 I426 W430 G441Q420-M443 HydrophobicContact CB-CE 4.04Å; Q420-M443 HydrophobicContact CB-CG 4.35Å; Q420-M443 VanDerWaalsContact OE1-CA 3.29Å; F421-M443 HydrophobicContact CD1-CE 3.61Å; F421-M443 HydrophobicContact CE1-CE 3.67Å; F421-M443 HydrophobicContact CG-CE 4.15Å; F421-M443 HydrophobicContact CZ-CE 4.24Å; I426-M443 HydrophobicContact CG2-CE 3.64Å; I426-M443 HydrophobicContact CG2-SD 3.91Å; W430-M443 HydrophobicContact CB-CB 4.16Å; W430-M443 HydrophobicContact CB-CE 4.34Å; W430-M443 HydrophobicContact CB-SD 4.25Å; W430-M443 HydrophobicContact CG-CB 4.36Å; G441-M443 VanDerWaalsContact C-N 3.34Å
444Y94.8Very high95.4Very high126 Ų12664 Ų6449%0.49434%0.34SS..  trans-152.2149177.657.8-88.8000112.5Q446Y444-Q446 HydrophobicContact CD2-CG 4.32Å; Y444-Q446 HydrophobicContact CE2-CG 4.04Å
445P94.4Very high95.4Very high20 Ų2065.8 Ų65.813%0.1336%0.358CS..  trans-69.6138.6175.126.5-32.1000111.8I400 E404 M451I400-P445 HydrophobicContact CD1-CB 3.84Å; I400-P445 HydrophobicContact CD1-CG 4.46Å; E404-P445 WeakPolarHBondContact OE1-CB 3.41Å; P445-M451 HydrophobicContact CB-CG 4.46Å; P445-M451 HydrophobicContact CG-CG 4.24Å
446Q91.3Very high95.5Very high95 Ų9570.1 Ų70.144%0.44438%0.38SS..  trans-103.4-24.5176.2-59.5-171.75.300112.3E404 H418 Y444E404-Q446 PolarHBondContact OE1-N 2.85Å; E404-Q446 VanDerWaalsContact OE1-N 3.12Å; E404-Q446 PolarHBondContact OE2-N 2.99Å; H418-Q446 PolarHBondContact O-OE1 3.3Å; Y444-Q446 HydrophobicContact CD2-CG 4.32Å; Y444-Q446 HydrophobicContact CE2-CG 4.04Å
447T92.8Very high95.6Very high20 Ų2068.2 Ų68.212%0.12337%0.369CS..SBendtrans-85.7151.8179.767.50000111.3A403 E404 S449 G450 M451A403-T447 PolarHBondContact O-OG1 3.15Å; E404-T447 WeakPolarHBondContact OE1-CB 3.41Å; E404-T447 PolarHBondContact OE1-N 2.85Å; E404-T447 PolarHBondContact OE1-OG1 3.36Å; T447-S449 VanDerWaalsContact C-N 3.28Å; T447-S449 PolarHBondContact O-N 3.4Å; T447-S449 PolarHBondContact OG1-OG 2.83Å; T447-G450 PolarHBondContact O-N 3.27Å; T447-G450 VanDerWaalsContact O-N 3.11Å; T447-G450 PolarHBondContact OG1-N 3.45Å; T447-M451 WeakPolarHBondContact O-CG 3.17Å; T447-M451 PolarHBondContact O-N 3.34Å
448W92.7Very high95.6Very high207 Ų20765.3 Ų65.378%0.78436%0.355SS*.Hα-helixtrans-60.3-39.5175.5-17879.7000112.2M451 L452W448-M451 PolarHBondContact O-N 2.84Å; W448-L452 PolarHBondContact O-N 3.37Å
449S94.3Very high95.6Very high40 Ų4065.7 Ų65.728%0.2836%0.357SS..Hα-helixtrans-61-43.3172.538.80000112.1A403 T447 L452 V453A403-S449 PolarHBondContact O-OG 2.82Å; A403-S449 VanDerWaalsContact O-OG 3.09Å; T447-S449 VanDerWaalsContact C-N 3.28Å; T447-S449 PolarHBondContact O-N 3.4Å; T447-S449 PolarHBondContact OG1-OG 2.83Å; S449-L452 PolarHBondContact O-N 2.93Å; S449-V453 WeakPolarHBondContact O-CG2 3.26Å; S449-V453 PolarHBondContact O-N 3.27Å
450G95.5Very high95.6Very high0 Ų064.4 Ų64.40%034%0.341CS..Hα-helixtrans-64.6-39.3175.900000112.6I400 T447 V453 G454I400-G450 WeakPolarHBondContact CD1-O 3.47Å; T447-G450 PolarHBondContact O-N 3.27Å; T447-G450 VanDerWaalsContact O-N 3.11Å; T447-G450 PolarHBondContact OG1-N 3.45Å; G450-V453 PolarHBondContact O-N 3.36Å; G450-G454 PolarHBondContact O-N 3.48Å
451M95.6Very high95.6Very high105 Ų10557.2 Ų57.252%0.51731%0.313SS..Hα-helixtrans-62.8-41.2175.2-69177.3-17500111.8P445 T447 W448 G454 A455P445-M451 HydrophobicContact CB-CG 4.46Å; P445-M451 HydrophobicContact CG-CG 4.24Å; T447-M451 WeakPolarHBondContact O-CG 3.17Å; T447-M451 PolarHBondContact O-N 3.34Å; W448-M451 PolarHBondContact O-N 2.84Å; M451-G454 PolarHBondContact O-N 2.99Å; M451-A455 PolarHBondContact O-N 3.31Å
452L97Very high95.7Very high90 Ų9058.6 Ų58.647%0.47131%0.311SS..Hα-helixtrans-62-45.3173.9178.864000111.5W448 S449 G454 A455 L456W448-L452 PolarHBondContact O-N 3.37Å; S449-L452 PolarHBondContact O-N 2.93Å; L452-G454 VanDerWaalsContact C-N 3.31Å; L452-G454 PolarHBondContact O-N 3.04Å; L452-A455 PolarHBondContact O-N 3.36Å; L452-L456 HydrophobicContact CG-CD1 4.48Å; L452-L456 WeakPolarHBondContact O-CG 3.45Å; L452-L456 PolarHBondContact O-N 3.04Å
453V97.5Very high95.6Very high18 Ų1860.3 Ų60.311%0.10932%0.32CS..Hα-helixtrans-60.2-42.2174.7171.80000110.9F396 M399 I400 A403 W430 S449 G450 L456 C457F396-V453 HydrophobicContact CD1-CG1 4.19Å; M399-V453 HydrophobicContact CB-CG1 3.82Å; M399-V453 HydrophobicContact CB-CG2 4.16Å; I400-V453 HydrophobicContact CB-CG1 4.16Å; I400-V453 HydrophobicContact CD1-CB 4.19Å; I400-V453 HydrophobicContact CD1-CG1 4.13Å; A403-V453 HydrophobicContact CB-CG2 4.11Å; W430-V453 HydrophobicContact CH2-CG1 4.48Å; S449-V453 WeakPolarHBondContact O-CG2 3.26Å; S449-V453 PolarHBondContact O-N 3.27Å; G450-V453 PolarHBondContact O-N 3.36Å; V453-L456 PolarHBondContact O-N 3.17Å; V453-C457 VanDerWaalsContact O-CB 3.26Å; V453-C457 WeakPolarHBondContact O-CB 3.49Å; V453-C457 PolarHBondContact O-N 3.48Å
454G97.2Very high95.6Very high12 Ų1260.8 Ų60.812%0.12432%0.324CS..Hα-helixtrans-59.8-43.5175.100000113.2G450 M451 L452 C457 A458G450-G454 PolarHBondContact O-N 3.48Å; M451-G454 PolarHBondContact O-N 2.99Å; L452-G454 VanDerWaalsContact C-N 3.31Å; L452-G454 PolarHBondContact O-N 3.04Å; G454-C457 WeakPolarHBondContact O-CB 3.38Å; G454-C457 PolarHBondContact O-N 3.18Å; G454-A458 PolarHBondContact O-N 2.98Å
455A97.1Very high95.5Very high62 Ų6257.4 Ų57.451%0.51231%0.314SS..Hα-helixtrans-63-44.9176.400000112.1M451 L452 C457 A458 L459M451-A455 PolarHBondContact O-N 3.31Å; L452-A455 PolarHBondContact O-N 3.36Å; A455-C457 VanDerWaalsContact C-N 3.34Å; A455-A458 PolarHBondContact O-N 3.43Å; A455-L459 PolarHBondContact O-N 2.98Å; A455-L459 VanDerWaalsContact O-N 3.17Å
456L97.7Very high95.4Very high92 Ų9259.1 Ų59.148%0.48233%0.329SS..Hα-helixtrans-65-38.3175.6-66.9175.3000112F396 L452 V453 L459 A460F396-L456 HydrophobicContact CE1-CB 4.03Å; L452-L456 HydrophobicContact CG-CD1 4.48Å; L452-L456 WeakPolarHBondContact O-CG 3.45Å; L452-L456 PolarHBondContact O-N 3.04Å; V453-L456 PolarHBondContact O-N 3.17Å; L456-L459 PolarHBondContact O-N 2.92Å; L456-A460 VanDerWaalsContact O-CB 3.28Å; L456-A460 WeakPolarHBondContact O-CB 3.43Å; L456-A460 PolarHBondContact O-N 3.26Å
457C98.2Very high95.2Very high0 Ų061.1 Ų61.10%034%0.34CS..Hα-helixtrans-61.7-47177-174.70000111.8F396 W430 T434 M435 V453 G454 A455 A460 G461F396-C457 HydrophobicContact CB-CB 4.21Å; F396-C457 HydrophobicContact CD1-CB 3.48Å; F396-C457 VanDerWaalsContact CD1-CB 3.48Å; F396-C457 HydrophobicContact CD2-CB 4.18Å; F396-C457 VanDerWaalsContact CE1-CA 3.44Å; F396-C457 HydrophobicContact CE1-CB 3.86Å; F396-C457 HydrophobicContact CG-CB 3.69Å; F396-C457 VanDerWaalsContact CG-SG 3.58Å; F396-C457 HydrophobicContact CZ-CB 4.38Å; W430-C457 HydrophobicContact CH2-CB 4.24Å; T434-C457 HydrophobicContact CG2-CB 4.16Å; M435-C457 VanDerWaalsContact CG-SG 3.58Å; V453-C457 VanDerWaalsContact O-CB 3.26Å; V453-C457 WeakPolarHBondContact O-CB 3.49Å; V453-C457 PolarHBondContact O-N 3.48Å; G454-C457 WeakPolarHBondContact O-CB 3.38Å; G454-C457 PolarHBondContact O-N 3.18Å; A455-C457 VanDerWaalsContact C-N 3.34Å; C457-A460 PolarHBondContact O-N 3.36Å; C457-G461 PolarHBondContact O-N 3.09Å
458A97.4Very high95Very high37 Ų3760.7 Ų60.731%0.30634%0.338SS..Hα-helixtrans-62.2-45.6178.400000111.5T434 G454 A455 G461 V462T434-A458 HydrophobicContact CG2-CB 4.17Å; G454-A458 PolarHBondContact O-N 2.98Å; A455-A458 PolarHBondContact O-N 3.43Å; A458-G461 PolarHBondContact O-N 3.26Å; A458-V462 WeakPolarHBondContact O-CG2 3.45Å; A458-V462 PolarHBondContact O-N 2.88Å; A458-V462 VanDerWaalsContact O-N 3.15Å
459L96.8Very high94.9Very high108 Ų10853.6 Ų53.657%0.56532%0.317SS*.Hα-helixtrans-61.6-47.3177.2179.661000111.9A455 L456 G461 V462 L463A455-L459 PolarHBondContact O-N 2.98Å; A455-L459 VanDerWaalsContact O-N 3.17Å; L456-L459 PolarHBondContact O-N 2.92Å; L459-G461 VanDerWaalsContact C-N 3.33Å; L459-G461 PolarHBondContact O-N 3.47Å; L459-V462 PolarHBondContact O-N 2.67Å; L459-L463 HydrophobicContact CD1-CD1 4.35Å; L459-L463 HydrophobicContact CG-CD1 4.24Å; L459-L463 WeakPolarHBondContact O-CG 3.43Å; L459-L463 PolarHBondContact O-N 2.89Å; L459-L463 VanDerWaalsContact O-N 3.16Å
460A96.7Very high94.7Very high27 Ų2755.4 Ų55.422%0.22333%0.328CS..Hα-helixtrans-63.5-37.8178.500000112.3F396 L456 C457 L463 T464F396-A460 HydrophobicContact CE2-CB 3.52Å; F396-A460 HydrophobicContact CZ-CB 3.56Å; L456-A460 VanDerWaalsContact O-CB 3.28Å; L456-A460 WeakPolarHBondContact O-CB 3.43Å; L456-A460 PolarHBondContact O-N 3.26Å; C457-A460 PolarHBondContact O-N 3.36Å; A460-L463 PolarHBondContact O-N 3.39Å; A460-T464 VanDerWaalsContact O-CB 3.3Å; A460-T464 WeakPolarHBondContact O-CB 3.41Å; A460-T464 PolarHBondContact O-N 3.41Å; A460-T464 PolarHBondContact O-OG1 2.87Å
461G96.4Very high94.3Very high0 Ų058.5 Ų58.50%035%0.347CS..Hα-helixtrans-60.7-48.8176.400000113.1M435 C457 A458 L459 L463 T464 I465M435-G461 CarbonylContact O-C 3.52Å; M435-G461 VanDerWaalsContact O-CA 3.27Å; M435-G461 WeakPolarHBondContact O-CA 3.45Å; C457-G461 PolarHBondContact O-N 3.09Å; A458-G461 PolarHBondContact O-N 3.26Å; L459-G461 VanDerWaalsContact C-N 3.33Å; L459-G461 PolarHBondContact O-N 3.47Å; G461-L463 PolarHBondContact O-N 3.36Å; G461-T464 PolarHBondContact O-N 3.31Å; G461-I465 WeakPolarHBondContact O-CG1 3.36Å; G461-I465 PolarHBondContact O-N 3.16Å
462V95.9Very high93.9Very high77 Ų7754.5 Ų54.547%0.46733%0.327SS..Hα-helixtrans-58.5-47.4176.1174.20000111.1T437 A458 L459 T464 I465 A466T437-V462 HydrophobicContact CG2-CG2 3.59Å; A458-V462 WeakPolarHBondContact O-CG2 3.45Å; A458-V462 PolarHBondContact O-N 2.88Å; A458-V462 VanDerWaalsContact O-N 3.15Å; L459-V462 PolarHBondContact O-N 2.67Å; V462-T464 VanDerWaalsContact C-N 3.34Å; V462-T464 PolarHBondContact O-N 2.94Å; V462-I465 PolarHBondContact O-N 3.41Å; V462-A466 WeakPolarHBondContact O-CB 3.47Å; V462-A466 PolarHBondContact O-N 3.23Å
463L94.5Very high93.5Very high111 Ų11154.5 Ų54.558%0.58133%0.331SS*.Hα-helixtrans-63.1-39.6178.6-67.9172.9000112.3L459 A460 G461 A466 M467L459-L463 HydrophobicContact CD1-CD1 4.35Å; L459-L463 HydrophobicContact CG-CD1 4.24Å; L459-L463 WeakPolarHBondContact O-CG 3.43Å; L459-L463 PolarHBondContact O-N 2.89Å; L459-L463 VanDerWaalsContact O-N 3.16Å; A460-L463 PolarHBondContact O-N 3.39Å; G461-L463 PolarHBondContact O-N 3.36Å; L463-A466 PolarHBondContact O-N 2.9Å; L463-M467 PolarHBondContact O-N 3.23Å
464T93.5Very high93Very high30 Ų3057.6 Ų57.618%0.18435%0.347CS..Hα-helixtrans-64.2-42.3179.7-61.30000111.8F388 A460 G461 V462 P468F388-T464 HydrophobicContact CB-CG2 3.61Å; A460-T464 VanDerWaalsContact O-CB 3.3Å; A460-T464 WeakPolarHBondContact O-CB 3.41Å; A460-T464 PolarHBondContact O-N 3.41Å; A460-T464 PolarHBondContact O-OG1 2.87Å; G461-T464 PolarHBondContact O-N 3.31Å; V462-T464 VanDerWaalsContact C-N 3.34Å; V462-T464 PolarHBondContact O-N 2.94Å; T464-P468 WeakPolarHBondContact O-CD 3.49Å
465I92.7Very high92.4Very high55 Ų5558.7 Ų58.728%0.28235%0.35SS..Hα-helixtrans-77.1-36.9179.7-64.4172.5000111T436 G461 V462 M467 P468 V469T436-I465 HydrophobicContact CG2-CD1 4.22Å; G461-I465 WeakPolarHBondContact O-CG1 3.36Å; G461-I465 PolarHBondContact O-N 3.16Å; V462-I465 PolarHBondContact O-N 3.41Å; I465-M467 PolarHBondContact O-N 3.1Å; I465-P468 WeakPolarHBondContact O-CD 3.47Å; I465-V469 HydrophobicContact CG2-CG2 3.77Å; I465-V469 WeakPolarHBondContact O-CB 3.44Å; I465-V469 WeakPolarHBondContact O-CG2 3.49Å; I465-V469 PolarHBondContact O-N 2.82Å
466A92.3Very high91.7Very high56 Ų5659.2 Ų59.246%0.46334%0.341SS..Hα-helixtrans-64.4-24.3-176.700000114.1V462 L463 P470V462-A466 WeakPolarHBondContact O-CB 3.47Å; V462-A466 PolarHBondContact O-N 3.23Å; L463-A466 PolarHBondContact O-N 2.9Å; A466-P470 WeakPolarHBondContact O-CD 3.43Å; A466-P470 VanDerWaalsContact O-CG 3.25Å; A466-P470 WeakPolarHBondContact O-CG 3.46Å
467M87.3Confident91.1Very high137 Ų13756.6 Ų56.668%0.67534%0.336SS*.THydrogen-bonded Turntrans-78.6-52.1-177.9175.4-175.9179.300113.4L463 I465L463-M467 PolarHBondContact O-N 3.23Å; I465-M467 PolarHBondContact O-N 3.1Å
468P88Confident90.3Very high11 Ų1159.8 Ų59.87%0.07135%0.352CS..Hα-helixtrans-79.8-29.6-177-19.335.6000114.3L385 T464 I465 V471 I472L385-P468 HydrophobicContact CB-CB 4.06Å; L385-P468 HydrophobicContact CB-CG 4.03Å; L385-P468 HydrophobicContact CD1-CB 4.41Å; L385-P468 HydrophobicContact CD1-CG 3.97Å; T464-P468 WeakPolarHBondContact O-CD 3.49Å; I465-P468 WeakPolarHBondContact O-CD 3.47Å; P468-V471 WeakPolarHBondContact O-CB 3.39Å; P468-V471 PolarHBondContact O-N 3.36Å; P468-I472 HydrophobicContact CB-CD1 4.47Å; P468-I472 WeakPolarHBondContact O-CG1 3.36Å; P468-I472 PolarHBondContact O-N 3.06Å
469V90.6Very high89.5Confident58 Ų5860.2 Ų60.235%0.35235%0.345SS..Hα-helixtrans-60-46.9-174.1170.80000112.8I465 V471 I472 V473I465-V469 HydrophobicContact CG2-CG2 3.77Å; I465-V469 WeakPolarHBondContact O-CB 3.44Å; I465-V469 WeakPolarHBondContact O-CG2 3.49Å; I465-V469 PolarHBondContact O-N 2.82Å; V469-V471 VanDerWaalsContact C-N 3.28Å; V469-V471 PolarHBondContact O-N 3.27Å; V469-I472 PolarHBondContact O-N 2.96Å; V469-V473 HydrophobicContact CG1-CG2 4.17Å; V469-V473 VanDerWaalsContact O-CG2 3.32Å; V469-V473 WeakPolarHBondContact O-CG2 3.4Å; V469-V473 PolarHBondContact O-N 3.33Å
470P90.6Very high88.9Confident78 Ų7860.1 Ų60.151%0.50634%0.339SS..Hα-helixtrans-59.8-36.3176.5-2636000113.5A466 V473 N474A466-P470 WeakPolarHBondContact O-CD 3.43Å; A466-P470 VanDerWaalsContact O-CG 3.25Å; A466-P470 WeakPolarHBondContact O-CG 3.46Å; P470-V473 PolarHBondContact O-N 2.74Å; P470-N474 VanDerWaalsContact O-CB 3.29Å; P470-N474 WeakPolarHBondContact O-CB 3.34Å; P470-N474 PolarHBondContact O-N 2.73Å
471V87.2Confident88.2Confident65 Ų6561.2 Ų61.239%0.39435%0.345SS..Hα-helixtrans-64.6-46.5176.8-176.70000110.2E381 P468 V469 V473 N474 N475E381-V471 HydrophobicContact CG-CG1 3.9Å; P468-V471 WeakPolarHBondContact O-CB 3.39Å; P468-V471 PolarHBondContact O-N 3.36Å; V469-V471 VanDerWaalsContact C-N 3.28Å; V469-V471 PolarHBondContact O-N 3.27Å; V471-V473 PolarHBondContact O-N 3.02Å; V471-N474 PolarHBondContact O-N 2.58Å; V471-N475 PolarHBondContact O-N 3.48Å
472I87Confident87.5Confident21 Ų2161.5 Ų61.511%0.10835%0.346CS..Hα-helixtrans-62.1-43.2177.3-64.5164.5000111E381 F382 P468 V469 N475 F476E381-I472 HydrophobicContact CB-CD1 4.43Å; E381-I472 HydrophobicContact CB-CG1 3.92Å; F382-I472 HydrophobicContact CD1-CD1 4.07Å; F382-I472 HydrophobicContact CD2-CD1 4.33Å; F382-I472 HydrophobicContact CE1-CD1 3.91Å; F382-I472 HydrophobicContact CE2-CD1 4.14Å; F382-I472 HydrophobicContact CE2-CG1 4.32Å; F382-I472 HydrophobicContact CE2-CG2 3.81Å; F382-I472 HydrophobicContact CG-CD1 4.27Å; F382-I472 HydrophobicContact CZ-CD1 3.94Å; F382-I472 HydrophobicContact CZ-CG1 4.46Å; F382-I472 HydrophobicContact CZ-CG2 3.67Å; P468-I472 HydrophobicContact CB-CD1 4.47Å; P468-I472 WeakPolarHBondContact O-CG1 3.36Å; P468-I472 PolarHBondContact O-N 3.06Å; V469-I472 PolarHBondContact O-N 2.96Å; I472-N475 PolarHBondContact O-N 3.26Å; I472-F476 WeakPolarHBondContact O-CB 3.31Å; I472-F476 PolarHBondContact O-N 3.06Å
473V89Confident86.6Confident89 Ų8958.3 Ų58.354%0.53933%0.327SS..Hα-helixtrans-65.6-41.6178.4171.70000111.1V469 P470 V471 F476 G477V469-V473 HydrophobicContact CG1-CG2 4.17Å; V469-V473 VanDerWaalsContact O-CG2 3.32Å; V469-V473 WeakPolarHBondContact O-CG2 3.4Å; V469-V473 PolarHBondContact O-N 3.33Å; P470-V473 PolarHBondContact O-N 2.74Å; V471-V473 PolarHBondContact O-N 3.02Å; V473-F476 PolarHBondContact O-N 3.29Å; V473-G477 PolarHBondContact O-N 2.76Å
474N87.2Confident85.9Confident84 Ų8454.9 Ų54.945%0.44931%0.309SS..Hα-helixtrans-62.9-46.5176.2-174.458.4000111.2P470 V471 F476 G477 M478P470-N474 VanDerWaalsContact O-CB 3.29Å; P470-N474 WeakPolarHBondContact O-CB 3.34Å; P470-N474 PolarHBondContact O-N 2.73Å; V471-N474 PolarHBondContact O-N 2.58Å; N474-F476 VanDerWaalsContact C-N 3.34Å; N474-F476 PolarHBondContact O-N 3.21Å; N474-G477 PolarHBondContact O-N 3.45Å; N474-M478 WeakPolarHBondContact O-CG 3.26Å; N474-M478 PolarHBondContact O-N 3.13Å
475N83.3Confident85.2Confident35 Ų3554.8 Ų54.819%0.18731%0.312CS..Hα-helixtrans-56.2-49.7173.2-73.6-10.5000110.3S378 E381 V471 I472 G477 M478 Y479S378-N475 PolarHBondContact OG-ND2 3.16Å; E381-N475 PolarHBondContact OE1-ND2 3.4Å; E381-N475 VanDerWaalsContact OE1-ND2 3.13Å; V471-N475 PolarHBondContact O-N 3.48Å; I472-N475 PolarHBondContact O-N 3.26Å; N475-G477 VanDerWaalsContact C-N 3.34Å; N475-G477 PolarHBondContact O-N 2.72Å; N475-M478 WeakPolarHBondContact O-CB 3.35Å; N475-M478 PolarHBondContact O-N 3.3Å; N475-M478 VanDerWaalsContact O-N 3.14Å; N475-Y479 HydrophobicContact CB-CD2 4.49Å; N475-Y479 WeakPolarHBondContact O-CD2 3.49Å; N475-Y479 PolarHBondContact O-N 3.12Å
476F83.8Confident84.3Confident73 Ų7355.2 Ų55.232%0.3231%0.311SS..Hα-helixtrans-57.2-44.5177-177.9-94.5000113L371 T374 I472 V473 N474 M478 Y479 Y480L371-F476 HydrophobicContact CB-CE2 4.28Å; L371-F476 HydrophobicContact CD1-CD2 4.04Å; L371-F476 HydrophobicContact CD1-CE2 3.77Å; T374-F476 VanDerWaalsContact CG2-CA 3.47Å; T374-F476 HydrophobicContact CG2-CB 3.84Å; T374-F476 HydrophobicContact CG2-CD2 3.96Å; T374-F476 HydrophobicContact CG2-CG 4.38Å; I472-F476 WeakPolarHBondContact O-CB 3.31Å; I472-F476 PolarHBondContact O-N 3.06Å; V473-F476 PolarHBondContact O-N 3.29Å; N474-F476 VanDerWaalsContact C-N 3.34Å; N474-F476 PolarHBondContact O-N 3.21Å; F476-M478 VanDerWaalsContact C-N 3.34Å; F476-M478 PolarHBondContact O-N 3.13Å; F476-Y479 PolarHBondContact O-N 2.9Å; F476-Y480 HydrophobicContact CZ-CD2 4.35Å; F476-Y480 WeakPolarHBondContact O-CB 3.19Å; F476-Y480 PolarHBondContact O-N 2.95Å
477G85.5Confident83.2Confident37 Ų3757.4 Ų57.438%0.38131%0.312SS..Hα-helixtrans-57.7-45.5175.200000112.3V473 N474 N475 S481V473-G477 PolarHBondContact O-N 2.76Å; N474-G477 PolarHBondContact O-N 3.45Å; N475-G477 VanDerWaalsContact C-N 3.34Å; N475-G477 PolarHBondContact O-N 2.72Å; G477-S481 WeakPolarHBondContact O-CB 3.45Å; G477-S481 PolarHBondContact O-N 3.28Å; G477-S481 PolarHBondContact O-OG 3.26Å
478M81.1Confident82.5Confident67 Ų6759.1 Ų59.133%0.3332%0.316SS..Hα-helixtrans-61.2-56.9176.7-68-56.7-63.300111.7N474 N475 F476 Y480 S481 L482 L578N474-M478 WeakPolarHBondContact O-CG 3.26Å; N474-M478 PolarHBondContact O-N 3.13Å; N475-M478 WeakPolarHBondContact O-CB 3.35Å; N475-M478 PolarHBondContact O-N 3.3Å; N475-M478 VanDerWaalsContact O-N 3.14Å; F476-M478 VanDerWaalsContact C-N 3.34Å; F476-M478 PolarHBondContact O-N 3.13Å; M478-Y480 VanDerWaalsContact C-N 3.31Å; M478-Y480 PolarHBondContact O-N 2.95Å; M478-S481 PolarHBondContact O-N 3.44Å; M478-S481 PolarHBondContact O-OG 3.44Å; M478-L482 WeakPolarHBondContact O-CG 3.38Å; M478-L482 PolarHBondContact O-N 3.09Å; M478-L578 HydrophobicContact CE-CD1 3.73Å; M478-L578 HydrophobicContact CE-CD2 4.25Å; M478-L578 HydrophobicContact CE-CG 4.48Å
479Y80.8Confident81.5Confident45 Ų4562.1 Ų62.118%0.17633%0.33CS..Hα-helixtrans-60.6-38.4-179.5-79.1-81.7000112.6A165 F169 T374 A377 N475 F476 A483A165-Y479 HydrophobicContact CB-CD1 3.67Å; A165-Y479 HydrophobicContact CB-CE1 3.15Å; F169-Y479 HydrophobicContact CE2-CD1 4.02Å; F169-Y479 HydrophobicContact CZ-CD1 4.18Å; T374-Y479 HydrophobicContact CG2-CD2 4.07Å; T374-Y479 VanDerWaalsContact OG1-CB 3.29Å; T374-Y479 WeakPolarHBondContact OG1-CB 3.47Å; A377-Y479 HydrophobicContact CB-CE1 4.25Å; A377-Y479 HydrophobicContact CB-CE2 3.81Å; A377-Y479 WeakPolarHBondContact CB-OH 3.47Å; N475-Y479 HydrophobicContact CB-CD2 4.49Å; N475-Y479 WeakPolarHBondContact O-CD2 3.49Å; N475-Y479 PolarHBondContact O-N 3.12Å; F476-Y479 PolarHBondContact O-N 2.9Å; Y479-A483 WeakPolarHBondContact O-CB 3.34Å; Y479-A483 PolarHBondContact O-N 3.11Å
480Y82.4Confident80Confident107 Ų10764.5 Ų64.542%0.4235%0.347SS..Hα-helixtrans-65.1-45.8175.8-177.4-97.4000111.8V370 F476 M478 L482 A483 M484V370-Y480 HydrophobicContact CG1-CD2 4.38Å; F476-Y480 HydrophobicContact CZ-CD2 4.35Å; F476-Y480 WeakPolarHBondContact O-CB 3.19Å; F476-Y480 PolarHBondContact O-N 2.95Å; M478-Y480 VanDerWaalsContact C-N 3.31Å; M478-Y480 PolarHBondContact O-N 2.95Å; Y480-L482 VanDerWaalsContact C-N 3.33Å; Y480-L482 PolarHBondContact O-N 3.22Å; Y480-A483 PolarHBondContact O-N 3.17Å; Y480-M484 HydrophobicContact CD1-CG 4.04Å; Y480-M484 HydrophobicContact CE1-CG 3.66Å; Y480-M484 HydrophobicContact CE1-SD 4.48Å; Y480-M484 HydrophobicContact CE2-CE 4.13Å; Y480-M484 HydrophobicContact CE2-CG 4.19Å; Y480-M484 HydrophobicContact CE2-SD 4.33Å; Y480-M484 HydrophobicContact CG-CG 4.46Å; Y480-M484 WeakPolarHBondContact O-CB 3.27Å; Y480-M484 VanDerWaalsContact O-CG 3.26Å; Y480-M484 WeakPolarHBondContact O-CG 3.01Å; Y480-M484 PolarHBondContact O-N 2.59Å
481S83.8Confident78.4Confident50 Ų5070.8 Ų70.835%0.3536%0.361SS..Hα-helixtrans-61.4-41.5178.674.50000112.1G477 M478 M484 A485G477-S481 WeakPolarHBondContact O-CB 3.45Å; G477-S481 PolarHBondContact O-N 3.28Å; G477-S481 PolarHBondContact O-OG 3.26Å; M478-S481 PolarHBondContact O-N 3.44Å; M478-S481 PolarHBondContact O-OG 3.44Å; S481-M484 PolarHBondContact O-N 3.13Å; S481-A485 VanDerWaalsContact O-CB 3.29Å; S481-A485 WeakPolarHBondContact O-CB 3.44Å; S481-A485 PolarHBondContact O-N 3.03Å
482L80.6Confident76.7Confident6 Ų675.5 Ų75.53%0.03138%0.376CS..Hα-helixtrans-64.5-45.6177-70172.7000111.7A162 A165 L166 M478 Y480 M484 A485 K486A162-L482 HydrophobicContact CB-CD1 3.8Å; A162-L482 HydrophobicContact CB-CD2 3.81Å; A162-L482 HydrophobicContact CB-CG 4.48Å; A165-L482 HydrophobicContact CB-CD1 4.02Å; L166-L482 HydrophobicContact CD1-CD2 4.34Å; L166-L482 HydrophobicContact CD2-CB 3.71Å; L166-L482 HydrophobicContact CG-CB 4.23Å; M478-L482 WeakPolarHBondContact O-CG 3.38Å; M478-L482 PolarHBondContact O-N 3.09Å; Y480-L482 VanDerWaalsContact C-N 3.33Å; Y480-L482 PolarHBondContact O-N 3.22Å; L482-M484 PolarHBondContact O-N 2.93Å; L482-A485 PolarHBondContact O-N 3.32Å; L482-K486 PolarHBondContact O-N 2.85Å
483A76.3Confident74.7Confident9 Ų985.4 Ų85.47%0.07441%0.412CS..Hα-helixtrans-62.2-41.9176.100000112F169 V370 Y479 Y480 K486 Q487F169-A483 HydrophobicContact CE2-CB 4.35Å; F169-A483 HydrophobicContact CZ-CB 4.42Å; V370-A483 HydrophobicContact CG1-CB 4.39Å; V370-A483 HydrophobicContact CG2-CB 3.55Å; Y479-A483 WeakPolarHBondContact O-CB 3.34Å; Y479-A483 PolarHBondContact O-N 3.11Å; Y480-A483 PolarHBondContact O-N 3.17Å; A483-K486 PolarHBondContact O-N 2.82Å; A483-Q487 WeakPolarHBondContact O-CG 3.33Å; A483-Q487 PolarHBondContact O-N 3.09Å; A483-Q487 VanDerWaalsContact O-N 3.16Å
484M80.2Confident72.5Confident39 Ų3989.3 Ų89.319%0.19242%0.422CS..Hα-helixtrans-68.2-37.4176.4-68.8-59.6104.600112.5Y480 S481 L482 Q487 K488Y480-M484 HydrophobicContact CD1-CG 4.04Å; Y480-M484 HydrophobicContact CE1-CG 3.66Å; Y480-M484 HydrophobicContact CE1-SD 4.48Å; Y480-M484 HydrophobicContact CE2-CE 4.13Å; Y480-M484 HydrophobicContact CE2-CG 4.19Å; Y480-M484 HydrophobicContact CE2-SD 4.33Å; Y480-M484 HydrophobicContact CG-CG 4.46Å; Y480-M484 WeakPolarHBondContact O-CB 3.27Å; Y480-M484 VanDerWaalsContact O-CG 3.26Å; Y480-M484 WeakPolarHBondContact O-CG 3.01Å; Y480-M484 PolarHBondContact O-N 2.59Å; S481-M484 PolarHBondContact O-N 3.13Å; L482-M484 PolarHBondContact O-N 2.93Å; M484-Q487 VanDerWaalsContact CE-OE1 3.27Å; M484-Q487 PolarHBondContact O-N 3.2Å; M484-K488 WeakPolarHBondContact O-CG 3.34Å; M484-K488 PolarHBondContact O-N 3.37Å; M484-K488 VanDerWaalsContact O-N 3.15Å
485A79.9Confident70.4Confident29 Ų2994.1 Ų94.124%0.2444%0.439CS..Hα-helixtrans-63.6-44175.900000111S481 L482 Q487 K488 L489 F576S481-A485 VanDerWaalsContact O-CB 3.29Å; S481-A485 WeakPolarHBondContact O-CB 3.44Å; S481-A485 PolarHBondContact O-N 3.03Å; L482-A485 PolarHBondContact O-N 3.32Å; A485-Q487 VanDerWaalsContact C-N 3.33Å; A485-Q487 PolarHBondContact O-N 3.38Å; A485-K488 PolarHBondContact O-N 2.88Å; A485-L489 WeakPolarHBondContact O-CG 3.29Å; A485-L489 PolarHBondContact O-N 2.73Å; A485-L489 VanDerWaalsContact O-N 3.14Å; A485-F576 HydrophobicContact CB-CE1 3.79Å; A485-F576 HydrophobicContact CB-CZ 4.26Å
486K72.4Confident68.5Low64 Ų6499.8 Ų99.828%0.27846%0.464SS..Hα-helixtrans-57.7-42.4173.1-87.2-158.6175.9179.50112.8L166 E170 L482 A483 K488L166-K486 HydrophobicContact CB-CD 4.49Å; L166-K486 VanDerWaalsContact CB-CE 3.42Å; L166-K486 VanDerWaalsContact CB-NZ 3.35Å; L166-K486 HydrophobicContact CD1-CD 4.42Å; L166-K486 HydrophobicContact CD1-CG 4.28Å; L166-K486 HydrophobicContact CD2-CD 3.48Å; L166-K486 VanDerWaalsContact CD2-CD 3.48Å; L166-K486 HydrophobicContact CD2-CG 3.66Å; L166-K486 HydrophobicContact CG-CD 4.28Å; L166-K486 PolarHBondContact O-NZ 2.66Å; E170-K486 IonicContact OE1-NZ 3.87Å; E170-K486 PolarHBondContact OE1-NZ 2.86Å; L482-K486 PolarHBondContact O-N 2.85Å; A483-K486 PolarHBondContact O-N 2.82Å; K486-K488 VanDerWaalsContact C-N 3.33Å; K486-K488 PolarHBondContact O-N 2.68Å
487Q69.2Low66.8Low102 Ų102103.5 Ų103.548%0.47749%0.485SS..Hα-helixtrans-67.8-31.1179.7-73.7-175.1-20.200113.8A483 M484 A485A483-Q487 WeakPolarHBondContact O-CG 3.33Å; A483-Q487 PolarHBondContact O-N 3.09Å; A483-Q487 VanDerWaalsContact O-N 3.16Å; M484-Q487 VanDerWaalsContact CE-OE1 3.27Å; M484-Q487 PolarHBondContact O-N 3.2Å; A485-Q487 VanDerWaalsContact C-N 3.33Å; A485-Q487 PolarHBondContact O-N 3.38Å
488K73.9Confident64.9Low173 Ų173106.3 Ų106.375%0.75250%0.497SS*.Hα-helixtrans-85-19.3-178.6-71.1177.7-178.9178.90113.4M484 A485 K486 P490M484-K488 WeakPolarHBondContact O-CG 3.34Å; M484-K488 PolarHBondContact O-N 3.37Å; M484-K488 VanDerWaalsContact O-N 3.15Å; A485-K488 PolarHBondContact O-N 2.88Å; K486-K488 VanDerWaalsContact C-N 3.33Å; K486-K488 PolarHBondContact O-N 2.68Å; K488-P490 WeakPolarHBondContact O-CD 3.32Å
489L67.2Low63Low73 Ų73108.3 Ų108.338%0.38252%0.515SS..SBendtrans-66.9122.6178.1-80.9164.8000109.9A485 R491 T574 F576A485-L489 WeakPolarHBondContact O-CG 3.29Å; A485-L489 PolarHBondContact O-N 2.73Å; A485-L489 VanDerWaalsContact O-N 3.14Å; L489-R491 PolarHBondContact O-N 2.95Å; L489-T574 HydrophobicContact CD1-CG2 4.25Å; L489-F576 HydrophobicContact CD1-CE1 4.17Å; L489-F576 HydrophobicContact CD1-CZ 3.63Å
490P58.4Low61.2Low108 Ų108110.2 Ų110.270%0.70154%0.54SS*.  trans-60.5126.8172.725.1-31.6000108.2K488 K492K488-P490 WeakPolarHBondContact O-CD 3.32Å; P490-K492 PolarHBondContact O-N 3.4Å
491R57.5Low59.3Low210 Ų210111.2 Ų111.279%0.79256%0.559SS**  trans-52.5113.3172.1-65.9178.195.2153.33.4107L489 R493L489-R491 PolarHBondContact O-N 2.95Å; R491-R493 PolarHBondContact O-N 3.04Å
492K52.2Low57.2Low164 Ų164117.3 Ų117.371%0.71358%0.582SS**  trans-58.4103.3180-83.7-176.2178173.20107.6P490 K494P490-K492 PolarHBondContact O-N 3.4Å; K492-K494 PolarHBondContact O-N 2.94Å; K492-K494 VanDerWaalsContact O-N 3.1Å
493R44Very low55Low230 Ų230122.2 Ų122.287%0.86862%0.624SS**  trans-59.6114.6161.3-83.7-178.4164.5-176.8-5.7105.8R491 K495R491-R493 PolarHBondContact O-N 3.04Å; R493-K495 PolarHBondContact O-N 3.44Å
494K42.9Very low53Low171 Ų171126.3 Ų126.374%0.74365%0.652SS**  trans-63.274.8169.5-69.2175.5-171.8155.10108.9D181 K492 H496D181-K494 IonicContact OD2-NZ 2.74Å; D181-K494 PolarHBondContact OD2-NZ 3.19Å; K492-K494 PolarHBondContact O-N 2.94Å; K492-K494 VanDerWaalsContact O-N 3.1Å; K494-H496 VanDerWaalsContact C-N 3.31Å; K494-H496 PolarHBondContact O-N 3.03Å; K494-H496 VanDerWaalsContact O-N 3.14Å
495K42.3Very low50.8Low184 Ų184129 Ų12980%0.868%0.675SS**  trans-76.397.1157.7-94.1-171.5173.6-173.60105.7R493 I497R493-K495 PolarHBondContact O-N 3.44Å; K495-I497 PolarHBondContact O-N 3.14Å
496H45Very low48.6Very low155 Ų155134.1 Ų134.172%0.71871%0.705SS**  trans-49.298.4166.4-165.9-86000108.2K494 P498K494-H496 VanDerWaalsContact C-N 3.31Å; K494-H496 PolarHBondContact O-N 3.03Å; K494-H496 VanDerWaalsContact O-N 3.14Å; H496-P498 WeakPolarHBondContact O-CD 3.4Å
497I47.7Very low47Very low150 Ų150137 Ų13777%0.76973%0.729SS**PPolyproline II helixtrans-68118.6163.4-59.6172.5000104.1K495K495-I497 PolarHBondContact O-N 3.14Å
498P45.4Very low45Very low96 Ų96140.3 Ų140.362%0.62374%0.742SS**PPolyproline II helixtrans-55.7136175.8-19.430.5000108.9H496 A500H496-P498 WeakPolarHBondContact O-CD 3.4Å; P498-A500 PolarHBondContact O-N 2.88Å
499P40.8Very low43.1Very low110 Ų110137.6 Ų137.671%0.71474%0.743SS**PPolyproline II helixtrans-52.5130.7170-20.130.2000108.9
500A43.9Very low41.5Very low84 Ų84142.2 Ų142.269%0.69476%0.76SS**PPolyproline II helixtrans-55.6137.1172.900000109P498 Q502P498-A500 PolarHBondContact O-N 2.88Å; A500-Q502 PolarHBondContact O-N 3.15Å
501P42.3Very low40.4Very low128 Ų128143 Ų14383%0.83176%0.763SS**PPolyproline II helixtrans-60.2118.3178.322.3-29.6000108.7A503P501-A503 PolarHBondContact O-N 3.11Å; P501-A503 VanDerWaalsContact O-N 3.1Å
502Q39.4Very low39.4Very low179 Ų179141.5 Ų141.584%0.83677%0.765SS**  trans-59.9114.5172.7-72-179.1-4.300108.2A500 S504A500-Q502 PolarHBondContact O-N 3.15Å; Q502-S504 PolarHBondContact O-N 2.69Å
503A33.3Very low38.6Very low109 Ų109141.2 Ų141.290%0.90177%0.77SS**  trans-78.198.3170.700000109P501P501-A503 PolarHBondContact O-N 3.11Å; P501-A503 VanDerWaalsContact O-N 3.1Å
504S34.5Very low38.2Very low94 Ų94136.8 Ų136.866%0.65776%0.764SS**  trans-155.8130.9163.654.20000106.7Q502Q502-S504 PolarHBondContact O-N 2.69Å
505S34.1Very low37.9Very low97 Ų97136.8 Ų136.868%0.67877%0.769SS**  cis-156.3150.7-7.8-80.20000104.5T507S505-T507 PolarHBondContact O-N 2.81Å
506P33.4Very low37.6Very low136 Ų136132.2 Ų132.288%0.88377%0.765SS**  trans-73.7104.9-179.729.6-29.9000109.2F508P506-F508 PolarHBondContact O-N 3.41Å
507T39.1Very low36.9Very low125 Ų125130.4 Ų130.477%0.76777%0.769SS**  trans-87.6106.6170.6-46.40000108.1S505 C509S505-T507 PolarHBondContact O-N 2.81Å; T507-C509 PolarHBondContact O-N 3.18Å
508F28.5Very low36.2Very low171 Ų171130.3 Ų130.375%0.7577%0.77SS**  trans-65.8109.7171.5-177.1-92.1000109.7P506 K510P506-F508 PolarHBondContact O-N 3.41Å; F508-K510 HydrophobicContact CE1-CD 4.43Å; F508-K510 HydrophobicContact CE1-CG 4.26Å; F508-K510 HydrophobicContact CZ-CG 4.42Å
509C33.8Very low35.7Very low116 Ų116130.4 Ų130.478%0.78477%0.773SS**  trans-128.7105.2160.9-800000108.8T507T507-C509 PolarHBondContact O-N 3.18Å
510K32.2Very low35.3Very low169 Ų169131.4 Ų131.474%0.73578%0.777SS**  trans-41.6142.2152.2-89.9168.4166.2166.30109.2F508F508-K510 HydrophobicContact CE1-CD 4.43Å; F508-K510 HydrophobicContact CE1-CG 4.26Å; F508-K510 HydrophobicContact CZ-CG 4.42Å
511T35.6Very low34.7Very low125 Ų125135.8 Ų135.877%0.76778%0.783SS**  168.1120.5123.7-720000110
512E37.5Very low34.1Very low178 Ų178133.9 Ų133.983%0.83277%0.773SS**  trans83.7101.6156-52-101.5113.900119.5
513L34.8Very low33.9Very low158 Ų158133 Ų13383%0.82777%0.774SS**  trans-53.5128.1145-81.584.6000109.6
514N35.4Very low33.7Very low138 Ų138134 Ų13474%0.73877%0.769SS**  -172.7115.3123.4-99.4-17.3000112.4
515M36.1Very low33.4Very low170 Ų170136 Ų13684%0.83778%0.781SS**  55.1114.4127.3-124.7170.4-88.700120.8
516A36.7Very low33.2Very low88 Ų88139.9 Ų139.973%0.72779%0.794SS**  trans72105.2132.600000121.1
517C29.9Very low33.1Very low117 Ų117136.9 Ų136.979%0.79179%0.788SS**  31.9124126.5-60.70000121.4
518N33Very low32.8Very low148 Ų148140.6 Ų140.679%0.79179%0.793SS**  125.3128.5123.8-80.6-6.6000117.9
519S35.7Very low32.9Very low98 Ų98139.3 Ų139.369%0.68579%0.794SS**  trans74.5105.1138.655.80000121.1
520T31.4Very low32.8Very low131 Ų131141.9 Ų141.980%0.80480%0.8SS**  54.1133.9126.543.70000122.9
521Q32.7Very low32.6Very low176 Ų176145.4 Ų145.482%0.82281%0.809SS**  trans104119.8139.6-107.7173.731.300118.8
522S29.8Very low32.4Very low89 Ų89147.7 Ų147.762%0.62282%0.816SS**  trans57.6114.4140.857.10000119.3
523D33.8Very low32Very low160 Ų160146.3 Ų146.386%0.85681%0.813SS**  176.915294.7-92.5-34.1000113.2
524T28.9Very low31.9Very low131 Ų131147.7 Ų147.780%0.80482%0.815SS**  trans-94.1133.8-177.1-46.70000109.3
525C30.1Very low31.8Very low134 Ų134148.4 Ų148.491%0.90581%0.814SS**  trans-152.6130.5158.9-950000112.9
526L28.2Very low31.6Very low179 Ų179146.4 Ų146.494%0.93781%0.807SS**  trans-58.3154.4172.3-92.4103.4000114
527G32.4Very low31.3Very low74 Ų74154 Ų15476%0.76382%0.817SS**  trans163.6102.6147.400000118.4
528K32.5Very low31.4Very low202 Ų202153.9 Ų153.988%0.87882%0.817SS**  trans91.6110.6130.1-127.8164.5-176.1170.40121.1
529D29.8Very low31.3Very low144 Ų144152.6 Ų152.677%0.7781%0.814SS**  trans-3.1139.3150-61.4-61.4000121
530N32.7Very low31.3Very low170 Ų170155.2 Ų155.291%0.90982%0.82SS**  trans-144.8113.5141.3-117.3-3.3000110.3
531R26.9Very low31.3Very low243 Ų243154.6 Ų154.692%0.91782%0.821SS**  trans-92.2136165.7-85.9-175.5171.3-175.7-2.1108.8
532L33.2Very low31.4Very low174 Ų174149.2 Ų149.291%0.91181%0.812SS**  trans-136140.4161.3-143.4151.2000109
533L27.9Very low31.6Very low149 Ų149152.6 Ų152.678%0.7882%0.824SS**  trans-127.7132.9-153.4-166.3162.7000107.9
534E32.6Very low31.6Very low187 Ų187151.7 Ų151.787%0.87482%0.818SS**  trans-162159.1167.5-109.8-175.2143.300109.8
535H34.1Very low31.9Very low152 Ų152149.7 Ų149.770%0.70481%0.81SS**  -152133.1-76.7175-89000107.2
536N30.5Very low32Very low129 Ų129150.1 Ų150.169%0.6981%0.809SS**  trans25.4138.4157.1-63.9-39.8000124.4
537R32.4Very low32.2Very low248 Ų248145 Ų14594%0.93680%0.799SS**  -168130.4121.5-114.3177.3165.4135.7-2.8114.8
538S30.3Very low32.3Very low114 Ų114147.8 Ų147.880%0.79781%0.807SS**  trans-148.7131.5165.857.70000109.7
539V32.6Very low32.4Very low121 Ų121147.2 Ų147.273%0.73381%0.807SS**  trans-157.1122178.1171.30000113.1
540L34.3Very low32.7Very low153 Ų153145.6 Ų145.680%0.80180%0.804SS**  trans63.1144.6144.9-58.4164.4000121.4
541S31.3Very low32.9Very low118 Ų118142.6 Ų142.683%0.82580%0.795SS**  cis123.7136.82.2-80.70000112.9
542G34.6Very low33.2Very low63 Ų63138.9 Ų138.965%0.64979%0.792SS**  trans112108160.400000116.2
543D35.3Very low33.2Very low160 Ų160136.2 Ų136.286%0.85679%0.788SS**  69139.189.8-62-27.5000112.7
544D34.1Very low33.6Very low140 Ų140135 Ų13575%0.74979%0.789SS**  cis-172.2154.325.1-140.4-26.3000112
545S35Very low33.7Very low90 Ų90131.7 Ų131.763%0.62978%0.783SS**  trans57.9129.1139.8-67.90000128.7
546T32.1Very low33.5Very low142 Ų142133.3 Ų133.387%0.87179%0.791SS**  trans81.6118.7134.448.40000125.5
547G31.3Very low33.5Very low71 Ų71138.9 Ų138.973%0.73280%0.803SS**  117.2114.8116.200000121.4
548S35.2Very low33.3Very low133 Ų133134.5 Ų134.593%0.9380%0.797SS**  trans106.6139.8142.5-37.70000120.7
549E33.7Very low33.3Very low191 Ų191134.6 Ų134.689%0.89380%0.795SS**  trans-79172.9-159.6-85.5-173.1108.500119.5
550P37Very low33Very low109 Ų109136.2 Ų136.271%0.70880%0.798SS**  trans-105-175.1-165.244.3-34.6000113.8
551P36Very low32.7Very low108 Ų108139 Ų13970%0.70180%0.798SS**  -160.4165.484.641.5-19.3000119.9
552L33.4Very low32.4Very low164 Ų164144.4 Ų144.486%0.85980%0.8SS**  trans65.4105.8143.1-73.2153.5000123.4
553S33Very low32.1Very low118 Ų118145.3 Ų145.383%0.82580%0.797SS**  trans-178.4153.2133.238.40000111
554P36.7Very low31.7Very low123 Ų123143 Ų14380%0.79979%0.793SS**PPolyproline II helixtrans-81.6153.5-150.631.9-33.3000114.9
555P33.8Very low31.4Very low118 Ų118142.6 Ų142.677%0.76680%0.796SS**PPolyproline II helixtrans-88128.4-17133.7-30.7000112.7R557P555-R557 PolarHBondContact O-N 3Å
556E31.1Very low31.1Very low186 Ų186148.3 Ų148.387%0.86980%0.803SS**PPolyproline II helixtrans-61.5119.9153.9-83.7-179.5113.100109L558E556-L558 PolarHBondContact O-N 2.84Å
557R30.8Very low30.9Very low246 Ų246148.3 Ų148.393%0.92880%0.798SS**  trans-7391.4172.8-76.2-177.1-176.9176.61.9109.7P555P555-R557 PolarHBondContact O-N 3Å
558L27.6Very low30.9Very low156 Ų156154.2 Ų154.282%0.81780%0.804SS**  trans-76123.3153.8-83.8152.6000108.6E556 I560E556-L558 PolarHBondContact O-N 2.84Å; L558-I560 PolarHBondContact O-N 2.99Å
559P30Very low30.6Very low117 Ų117154.5 Ų154.576%0.7680%0.795SS**  trans-71.7113.6173.127.4-28000108.8R561P559-R561 VanDerWaalsContact C-N 3.35Å; P559-R561 PolarHBondContact O-N 2.99Å
560I27.2Very low30.5Very low155 Ų155156.8 Ų156.880%0.79580%0.795SS**  trans-59.797.1168.4-67.3169.1000107.8L558 R562L558-I560 PolarHBondContact O-N 2.99Å; I560-R562 HydrophobicContact CG2-CG 4.31Å; I560-R562 PolarHBondContact O-N 2.88Å
561R27.4Very low30.4Very low211 Ų211162.4 Ų162.480%0.79680%0.802SS**  trans-81.487.9171.3-153.8-177.7-160.2-157.76.4108P559 S563P559-R561 VanDerWaalsContact C-N 3.35Å; P559-R561 PolarHBondContact O-N 2.99Å; R561-S563 PolarHBondContact O-N 3.13Å
562R25.1Very low30.4Very low232 Ų232160.3 Ų160.388%0.87580%0.8SS**  trans-74.781.9158.8-85.3-175.6177.1173.5-0.3107.9I560 S564I560-R562 HydrophobicContact CG2-CG 4.31Å; I560-R562 PolarHBondContact O-N 2.88Å; R562-S564 PolarHBondContact O-N 3.37Å; R562-S564 VanDerWaalsContact O-N 3.17Å
563S27.3Very low31.1Very low82 Ų82157.6 Ų157.657%0.57378%0.783SS**  trans-72.1101.2163.352.50000108R561 T565R561-S563 PolarHBondContact O-N 3.13Å; S563-T565 PolarHBondContact O-N 3.34Å
564S27.9Very low32.1Very low110 Ų110155 Ų15577%0.76976%0.762SS**  trans-65.587.8161.61640000108.1R562 R566R562-S564 PolarHBondContact O-N 3.37Å; R562-S564 VanDerWaalsContact O-N 3.17Å; S564-R566 VanDerWaalsContact C-N 3.33Å; S564-R566 PolarHBondContact O-N 3.32Å
565T27.5Very low32.7Very low132 Ų132152.2 Ų152.281%0.8175%0.745SS**  trans-70.891.4164.245.70000108S563S563-T565 PolarHBondContact O-N 3.34Å
566R28.7Very low33.7Very low210 Ų210149.5 Ų149.579%0.79272%0.721SS**  trans-137.1106.1168.6-154.4173.8-176.9164.11.6108.9S564S564-R566 VanDerWaalsContact C-N 3.33Å; S564-R566 PolarHBondContact O-N 3.32Å
567D28.1Very low34.7Very low143 Ų143145.6 Ų145.677%0.76571%0.706SS**  trans4672.9162.3-72.8-57000117.6N569D567-N569 PolarHBondContact O-N 3.39Å
568K30.9Very low35.8Very low195 Ų195136.4 Ų136.485%0.84868%0.675SS**  trans-90.977.4152.3-93.4-173.9173.3-175.70108.4
569N29.1Very low36.7Very low139 Ų139135.2 Ų135.274%0.74367%0.674SS**  trans-106.1118.7168.3-133-14.2000108.3D567D567-N569 PolarHBondContact O-N 3.39Å
570R31.1Very low37.3Very low238 Ų238133.4 Ų133.490%0.89866%0.661SS**  trans67.463172.8-66.6-178.8164.4174.7-3.1119
571R35.8Very low37.7Very low228 Ų228128.6 Ų128.686%0.8665%0.649SS**  trans-113114.5148.6-78.1-170.1-173.7-154.71.9108.3E573R571-E573 PolarHBondContact O-N 2.96Å
572G36.9Very low37.9Very low63 Ų63126 Ų12665%0.64965%0.651SS**  trans-68.4103.6177.300000110.2
573E47.9Very low38.3Very low108 Ų108124.6 Ų124.651%0.50565%0.647SS.*  trans-57.5138.4174.7-75.3159.8179.600110.1R571R571-E573 PolarHBondContact O-N 2.96Å
574T53.7Low38.4Very low62 Ų62127.1 Ų127.138%0.3866%0.66SS.*  trans-87.3109.8177.146.80000108.5L489 F576L489-T574 HydrophobicContact CD1-CG2 4.25Å; T574-F576 WeakPolarHBondContact O-CD2 3.4Å; T574-F576 PolarHBondContact O-N 3.5Å; T574-F576 VanDerWaalsContact OG1-CE2 3.3Å; T574-F576 WeakPolarHBondContact OG1-CE2 3.26Å
575C49.9Very low38.5Very low65 Ų65128 Ų12844%0.43966%0.664SS.*  trans-65.2118.9173-95.60000111.2C130C130-C575 HydrophobicContact CB-CB 3.66Å; C130-C575 WeakPolarHBondContact CB-SG 3.34Å; C130-C575 WeakPolarHBondContact SG-CB 3.29Å; C130-C575 CovalentContact SG-SG 2.06Å; C130-C575 PolarHBondContact SG-SG 2.82Å
576F54.4Low38.5Very low61 Ų61126.8 Ų126.827%0.26867%0.668SS.*  trans-103.8120.7166.8-64.8-78.5000109.1L166 A485 L489 T574 L578L166-F576 HydrophobicContact CD1-CE2 4.27Å; A485-F576 HydrophobicContact CB-CE1 3.79Å; A485-F576 HydrophobicContact CB-CZ 4.26Å; L489-F576 HydrophobicContact CD1-CE1 4.17Å; L489-F576 HydrophobicContact CD1-CZ 3.63Å; T574-F576 WeakPolarHBondContact O-CD2 3.4Å; T574-F576 PolarHBondContact O-N 3.5Å; T574-F576 VanDerWaalsContact OG1-CE2 3.3Å; T574-F576 WeakPolarHBondContact OG1-CE2 3.26Å; F576-L578 PolarHBondContact O-N 2.91Å
577L51.7Low38.8Very low105 Ų105122.5 Ų122.555%0.5567%0.67SS.*  trans-87.999164.3-111.2167.5000107.1T579L577-T579 PolarHBondContact O-N 2.99Å
578L52.9Low38.8Very low52 Ų52123.6 Ų123.627%0.27268%0.676SS.*  trans-83.3108.1169.3-69.2162.6000106.6M478 F576 T580M478-L578 HydrophobicContact CE-CD1 3.73Å; M478-L578 HydrophobicContact CE-CD2 4.25Å; M478-L578 HydrophobicContact CE-CG 4.48Å; F576-L578 PolarHBondContact O-N 2.91Å; L578-T580 PolarHBondContact O-N 3.39Å
579T46.4Very low38.9Very low131 Ų131117.7 Ų117.780%0.80467%0.67SS**  trans-65.1111.517651.80000108.7L577 G581L577-T579 PolarHBondContact O-N 2.99Å; T579-G581 PolarHBondContact O-N 2.86Å
580T44.4Very low38.9Very low80 Ų80114.3 Ų114.349%0.49167%0.668SS.*  trans-71.268.2167.850.90000109.7L578L578-T580 PolarHBondContact O-N 3.39Å
581G34.9Very low39Very low53 Ų53110.9 Ų110.955%0.54667%0.666SS.*  trans-111.489.6167.400000107.4T579T579-G581 PolarHBondContact O-N 2.86Å
582D31.3Very low38.8Very low157 Ų157111 Ų11184%0.8467%0.666SS**  trans175.212.3155-84.5-16.8000114T584D582-T584 PolarHBondContact O-N 3.19Å
583Y33.4Very low38.5Very low202 Ų202117.6 Ų117.679%0.79268%0.677SS**  trans-86.182.6162.8-77.2-83.4000110.1C585Y583-C585 PolarHBondContact O-N 3.13Å
584T29.3Very low37.7Very low135 Ų135116.2 Ų116.283%0.82869%0.692SS**  trans-8493.5170.447.70000110.1D582D582-T584 PolarHBondContact O-N 3.19Å
585C29.4Very low36.5Very low129 Ų129123.6 Ų123.687%0.87271%0.714SS**  trans-76.6117.4155.3-1300000107.2Y583 S587Y583-C585 PolarHBondContact O-N 3.13Å; C585-S587 PolarHBondContact O-N 2.97Å; C585-S587 VanDerWaalsContact O-N 3.09Å
586A27.5Very low35.7Very low106 Ų106129.9 Ų129.988%0.87674%0.737SS**  trans-62.5108.9175.500000110.2
587S35.2Very low34.4Very low120 Ų120135.7 Ų135.784%0.83976%0.762SS**  trans-146.9131.8150.1-171.30000109.7C585C585-S587 PolarHBondContact O-N 2.97Å; C585-S587 VanDerWaalsContact O-N 3.09Å
588D28.1Very low33.4Very low166 Ų166136.4 Ų136.489%0.88878%0.776SS**  trans-62.6156.7-175-152.7-7.1000113.3
589G33.2Very low32.3Very low71 Ų71145.6 Ų145.673%0.73281%0.807SS**  trans129.990.1168.400000115.3
590G29.6Very low31.7Very low68 Ų68144.1 Ų144.170%0.70180%0.802SS**  trans-72163.3179.800000115.4
591I34.1Very low31.4Very low167 Ų167147.3 Ų147.386%0.85682%0.815SS**  trans-171.1119.4135.5-92.9150000110.2
592R31.7Very low31.3Very low230 Ų230151.8 Ų151.887%0.86883%0.827SS**  trans29.1115.9148.3-65.3178.2172.4-173.6-1.9122.3
593K29.9Very low31.3Very low202 Ų202151.7 Ų151.788%0.87883%0.826SS**  39.3114.6124.3-82.4-173.6172.2-176.50119.4
594G30.9Very low31.2Very low79 Ų79149.4 Ų149.481%0.81483%0.826SS**  trans-143.6122.3148.400000109.5
595Y28.3Very low31.5Very low216 Ų216148.3 Ų148.385%0.84783%0.831SS**  trans-73.3127.1-178.8-118.1-109.2000110
596E32.6Very low31.5Very low197 Ų197144.8 Ų144.892%0.92182%0.817SS**  trans-158147.4141.9-121.5175.7172.900113
597K27.2Very low31.7Very low183 Ų183148.4 Ų148.480%0.79682%0.821SS**  trans-115.594.1-147.4-171.3-176-165.7176.60108.1
598S32.4Very low31.8Very low120 Ų120147.9 Ų147.984%0.83982%0.824SS**  trans-115104.2173.5-73.80000110.7S600S598-S600 PolarHBondContact O-N 3.08Å
599R27.8Very low32.2Very low246 Ų246143.8 Ų143.893%0.92882%0.82SS**  trans-58113.1168.9-74.1170.6162.1164.2-6.8108.7
600S35Very low32.1Very low100 Ų100148.6 Ų148.670%0.69983%0.829SS**  trans-132.497.9165.8-172.50000109.8S598 N602S598-S600 PolarHBondContact O-N 3.08Å; S600-N602 PolarHBondContact O-N 3.12Å; S600-N602 VanDerWaalsContact O-N 3.16Å
601L37.7Very low32.3Very low146 Ų146149.8 Ų149.876%0.76483%0.832SS**  trans39.760.1137.7-61.6171.2000118.5
602N32.2Very low32.5Very low147 Ų147150.1 Ų150.179%0.78684%0.835SS**  trans-92.1118.1141-75.3-18.9000106.5S600S600-N602 PolarHBondContact O-N 3.12Å; S600-N602 VanDerWaalsContact O-N 3.16Å
603N32.1Very low32.3Very low155 Ų155150.3 Ų150.383%0.82984%0.835SS**  trans128.856.6170.7-65.6-24.5000114.3
604I31.7Very low32.7Very low154 Ų154149.1 Ų149.179%0.7984%0.838SS**  trans-143.976.6153.9-51.5178.7000108.8
605A34.4Very low32.8Very low112 Ų112150.1 Ų150.193%0.92683%0.832SS**  trans-129.476.9157.900000106.5
606G29.4Very low33.3Very low56 Ų56145.5 Ų145.558%0.57783%0.829SS**  trans-131.3136.5174.200000108.6
607L32.9Very low33.5Very low182 Ų182142.5 Ų142.595%0.95382%0.824SS**  trans86.989.2-175.4-69.393.4000116.5
608A37.9Very low33.7Very low109 Ų109139.9 Ų139.990%0.90182%0.823SS**  179.2125.8104.500000111.8
609G35Very low33.9Very low79 Ų79140 Ų14081%0.81482%0.824SS**  trans104.987.1150.400000118.2
610N31.8Very low34.3Very low173 Ų173133.1 Ų133.193%0.92581%0.811SS**  trans-58.6133.5156-81.9-24.1000110.7
611A34.6Very low34.4Very low92 Ų92139 Ų13976%0.7682%0.819SS**  175.5142.7122.400000112.6
612L36.8Very low34.4Very low175 Ų175139.1 Ų139.192%0.91682%0.821SS**  trans90.387.4165.7-54176.9000118.4
613R28.2Very low34.7Very low233 Ų233137 Ų13788%0.87982%0.818SS**  trans-57.1142.4154.5-80.1-175165.4-175.7-3.3111.8
614L39.2Very low34.9Very low178 Ų178134.7 Ų134.793%0.93281%0.811SS**  trans-152.4120.5133.9-96.5159000107.4
615S32.4Very low35.1Very low99 Ų99133.1 Ų133.169%0.69281%0.812SS**  trans-81.4167.4179.3-57.80000111.4
616P37.3Very low35.4Very low119 Ų119132.8 Ų132.877%0.77380%0.801SS**  -142.4143101.331-13.2000116.3
617V36.8Very low35.8Very low135 Ų135138.4 Ų138.482%0.81882%0.817SS**  trans55.9112.6136.6-170.10000120
618T33Very low35.9Very low128 Ų128140.6 Ų140.679%0.78581%0.812SS**  trans-68.4147.2169.447.20000114.8
619S35.1Very low35.8Very low121 Ų121146.7 Ų146.785%0.84681%0.812SS**  trans-148.5124.8135.3-171.20000109.8
620P36.1Very low35.7Very low102 Ų102148.1 Ų148.166%0.66281%0.81SS**  trans-110.9138.1-179.536.2-24.8000112.1
621Y39Very low36Very low224 Ų224151.5 Ų151.588%0.87881%0.809SS**  trans-150.3111.4150-103.6-80.3000110.7
622N37.2Very low36.1Very low149 Ų149152.2 Ų152.280%0.79781%0.809SS**  trans0.3150.5143.6-67.2-25.2000117.5
623S38Very low36.4Very low103 Ų103149 Ų14972%0.7280%0.798SS**  cis175.5-172.30-172.50000105
624P37.2Very low37Very low106 Ų106145.1 Ų145.169%0.68879%0.793SS**  -114.9155.4-94.937.8-20.3000115.4
625C35.4Very low36.9Very low121 Ų121141.7 Ų141.782%0.81878%0.782SS**  trans31.6169.2141-70.20000123.3
626P41.2Very low37.4Very low105 Ų105142.9 Ų142.968%0.68279%0.79SS**  cis-143.1140-49.938.3-20.7000113.4
627L38Very low37.7Very low173 Ų173145.2 Ų145.291%0.90679%0.794SS**  trans-151.694163.9-87.2-178.6000114.8
628R34Very low38.2Very low229 Ų229150.2 Ų150.286%0.86482%0.815SS**  24.3107.1124.3-152.5-173.6-151.5-149.34.9118.4
629R35.5Very low38.5Very low237 Ų237151.3 Ų151.389%0.89482%0.817SS**  -179.6136.8111.6-115.5177174.3168-2.9114.3
630S32.6Very low38.7Very low109 Ų109152.9 Ų152.976%0.76282%0.815SS**  trans-48.1137.5169.2169.70000116.1
631R38.1Very low38.8Very low243 Ų243155.7 Ų155.792%0.91782%0.824SS**  -166133124.6-104.5175.3-179.2-177.5-0.9111
632S37.7Very low38.8Very low107 Ų107151.7 Ų151.775%0.74882%0.82SS**  trans-78-169.9177.252.70000112.7
633P41.8Very low38.9Very low107 Ų107151.9 Ų151.970%0.69582%0.822SS**  -129.5-173.8-64.635-15.9000113.1
634I40.6Very low38.9Very low152 Ų152155.1 Ų155.178%0.77983%0.829SS**  trans80.3158.9159.8-6.6-178.4000119
635P37.8Very low39.1Very low107 Ų107158.6 Ų158.670%0.69584%0.839SS**  -127.6163.6-96.142-25.8000113.5
636S43.9Very low39.4Very low124 Ų124161.5 Ų161.587%0.86784%0.84SS**  trans-164.7129.5156.9-70.20000111.8
637I43.3Very low39.2Very low167 Ų167166.3 Ų166.386%0.85685%0.853SS**  trans-38.5129.5169.3-69.7148.7000114.8
638L47.1Very low39.3Very low240 Ų240165.6 Ų165.6100%1.25785%0.849SS**  trans-158.90130.6-107.5167000109.3

Retrieved 638 of 638 residues in 1167.5 ms (Link to these results)