A0A087X287_HUMAN Loading...

Myocardin related transcription factor A

AlphaFold DB , UniProt , Accession A0A087X287, Species HUMAN (Homo sapiens, Human), Gene MRTFA, Length 799 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
1M73.4Confident78.8Confident240 Ų240107.5 Ų107.5100%1.18260%0.604SS**  0123.60-77.4-58.3-171.400108.6
2I78.9Confident79.6Confident139 Ų139100.6 Ų100.671%0.71356%0.564SS**  trans-105.5141.7174.9-59.9178.8000107.1L5I2-L5 HydrophobicContact CG2-CD2 3.92Å
3P77.1Confident80.3Confident60 Ų60103.2 Ų103.239%0.3957%0.569SS.*  trans-56.9152.817322.7-34.8000112.9L5 H12P3-L5 PolarHBondContact O-N 2.71Å; P3-L5 VanDerWaalsContact O-N 3.16Å; P3-H12 WeakPolarHBondContact CB-CD2 3.49Å; P3-H12 WeakPolarHBondContact CB-NE2 3.47Å
4P81.4Confident81.3Confident49 Ų49103.7 Ų103.732%0.31857%0.565SS.*  trans-51.8119.3179.6-3036.2000113.4K6 S7 Q758P4-K6 PolarHBondContact O-N 3.35Å; P4-K6 VanDerWaalsContact O-N 3.14Å; P4-S7 PolarHBondContact O-N 3.21Å; P4-S7 PolarHBondContact O-OG 3.42Å; P4-Q758 HydrophobicContact CB-CG 4.39Å
5L76.3Confident81.8Confident149 Ų149101.2 Ų101.278%0.7854%0.544SS*.THydrogen-bonded Turntrans-64.4-21.3-169.2-59.5177.2000113.7I2 P3 S7I2-L5 HydrophobicContact CG2-CD2 3.92Å; P3-L5 PolarHBondContact O-N 2.71Å; P3-L5 VanDerWaalsContact O-N 3.16Å; L5-S7 PolarHBondContact O-N 2.95Å
6K77.5Confident82.5Confident140 Ų140101.6 Ų101.661%0.60954%0.535SS*.THydrogen-bonded Turntrans-70.7-13.3173.6-53.7-168.3-168.1-172.70113.8P4 D754P4-K6 PolarHBondContact O-N 3.35Å; P4-K6 VanDerWaalsContact O-N 3.14Å; K6-D754 IonicContact NZ-OD1 2.63Å; K6-D754 PolarHBondContact NZ-OD1 3.4Å; K6-D754 IonicContact NZ-OD2 2.67Å; K6-D754 PolarHBondContact NZ-OD2 2.88Å
7S73.4Confident83.3Confident23 Ų2399.4 Ų99.416%0.16153%0.53CS..SBendtrans-105.9136.8-173.7670000112.7P4 L5 A9 R15P4-S7 PolarHBondContact O-N 3.21Å; P4-S7 PolarHBondContact O-OG 3.42Å; L5-S7 PolarHBondContact O-N 2.95Å; S7-A9 PolarHBondContact O-N 3Å; S7-R15 VanDerWaalsContact CB-NE 3.33Å; S7-R15 PolarHBondContact OG-NE 3.25Å; S7-R15 PolarHBondContact OG-NH2 3.33Å
8P78.4Confident84Confident86 Ų8698.7 Ų98.756%0.55853%0.526SS*.  trans-58.7123.5178-24.533.8000111.8A10 F11 H12P8-A10 PolarHBondContact O-N 2.87Å; P8-F11 HydrophobicContact CB-CD2 4.04Å; P8-F11 PolarHBondContact O-N 3.11Å; P8-H12 PolarHBondContact O-N 3.1Å
9A78.6Confident84.6Confident86 Ų8697.7 Ų97.771%0.71152%0.518SS*.G310 helixtrans-56.1-37.9-174.500000113.1S7 F11 H12S7-A9 PolarHBondContact O-N 3Å; A9-F11 PolarHBondContact O-N 3.05Å; A9-H12 WeakPolarHBondContact O-CB 3.46Å; A9-H12 PolarHBondContact O-N 3.27Å
10A85.4Confident85.2Confident79 Ų7999.2 Ų99.265%0.65352%0.516SS*.G310 helixtrans-64.5-22178.200000114.5P8 Q14P8-A10 PolarHBondContact O-N 2.87Å; A10-Q14 PolarHBondContact O-OE1 3.05Å
11F86Confident85.8Confident131 Ų13196.4 Ų96.458%0.57551%0.507SS*.G310 helixtrans-110.49.8-179.1-61-54.3000113.5P8 A9 E13 Q14 R15P8-F11 HydrophobicContact CB-CD2 4.04Å; P8-F11 PolarHBondContact O-N 3.11Å; A9-F11 PolarHBondContact O-N 3.05Å; F11-E13 VanDerWaalsContact C-N 3.33Å; F11-E13 PolarHBondContact O-N 3.36Å; F11-Q14 VanDerWaalsContact CA-OE1 3.26Å; F11-Q14 PolarHBondContact O-N 3.41Å; F11-Q14 PolarHBondContact O-OE1 3.02Å; F11-R15 WeakPolarHBondContact O-CB 3.32Å; F11-R15 PolarHBondContact O-N 3.43Å
12H88.4Confident87Confident25 Ų2592.9 Ų92.912%0.11648%0.481CS..Hα-helixtrans-63.2-37.9-175.3-175.8-80.4000112.8P3 P8 A9 R15 R16P3-H12 WeakPolarHBondContact CB-CD2 3.49Å; P3-H12 WeakPolarHBondContact CB-NE2 3.47Å; P8-H12 PolarHBondContact O-N 3.1Å; A9-H12 WeakPolarHBondContact O-CB 3.46Å; A9-H12 PolarHBondContact O-N 3.27Å; H12-R15 PolarHBondContact CD2-NH2 2.94Å; H12-R15 PolarHBondContact NE2-NH2 3.33Å; H12-R16 WeakPolarHBondContact O-CB 3.23Å; H12-R16 PolarHBondContact O-N 2.9Å
13E89.6Confident87.9Confident134 Ų13490 Ų9063%0.62647%0.47SS*.Hα-helixtrans-71-42.6178.9179.7144.4-122.200112F11 R15 R16 S17F11-E13 VanDerWaalsContact C-N 3.33Å; F11-E13 PolarHBondContact O-N 3.36Å; E13-R15 PolarHBondContact O-N 2.91Å; E13-R16 PolarHBondContact O-N 3.26Å; E13-S17 VanDerWaalsContact O-CB 3.28Å; E13-S17 WeakPolarHBondContact O-CB 3.15Å; E13-S17 PolarHBondContact O-N 3.45Å
14Q93.3Very high88.9Confident111 Ų11191.5 Ų91.552%0.51947%0.472SS..Hα-helixtrans-62.5-43175.8-62.981.1-8.200110.5A10 F11 S17 L18A10-Q14 PolarHBondContact O-OE1 3.05Å; F11-Q14 VanDerWaalsContact CA-OE1 3.26Å; F11-Q14 PolarHBondContact O-N 3.41Å; F11-Q14 PolarHBondContact O-OE1 3.02Å; Q14-S17 PolarHBondContact O-N 2.93Å; Q14-L18 VanDerWaalsContact O-CB 3.28Å; Q14-L18 WeakPolarHBondContact O-CB 3.27Å; Q14-L18 PolarHBondContact O-N 3.11Å
15R89.9Confident89.7Confident66 Ų6693.6 Ų93.625%0.24948%0.48CS..Hα-helixtrans-60.6-51.1172.7179.9173.464.776.2-3.8111.5S7 F11 H12 E13 S17 L18 E19S7-R15 VanDerWaalsContact CB-NE 3.33Å; S7-R15 PolarHBondContact OG-NE 3.25Å; S7-R15 PolarHBondContact OG-NH2 3.33Å; F11-R15 WeakPolarHBondContact O-CB 3.32Å; F11-R15 PolarHBondContact O-N 3.43Å; H12-R15 PolarHBondContact CD2-NH2 2.94Å; H12-R15 PolarHBondContact NE2-NH2 3.33Å; E13-R15 PolarHBondContact O-N 2.91Å; R15-S17 VanDerWaalsContact C-N 3.25Å; R15-S17 PolarHBondContact O-N 3.14Å; R15-L18 PolarHBondContact O-N 3Å; R15-E19 WeakPolarHBondContact CD-OE1 3.27Å; R15-E19 HydrophobicContact CG-CG 4.38Å; R15-E19 WeakPolarHBondContact CG-OE1 3.44Å; R15-E19 IonicContact CZ-OE1 3.68Å; R15-E19 IonicContact NE-OE1 3.93Å; R15-E19 VanDerWaalsContact NH1-CD 3.31Å; R15-E19 IonicContact NH1-OE1 2.69Å; R15-E19 PolarHBondContact NH1-OE1 2.84Å; R15-E19 IonicContact NH1-OE2 3.67Å; R15-E19 PolarHBondContact NH1-OE2 3.45Å; R15-E19 VanDerWaalsContact NH1-OE2 3.16Å; R15-E19 WeakPolarHBondContact O-CB 3.34Å; R15-E19 VanDerWaalsContact O-CG 3.31Å; R15-E19 WeakPolarHBondContact O-CG 3.19Å; R15-E19 PolarHBondContact O-N 2.95Å
16R92.1Very high90.7Very high108 Ų10891.4 Ų91.441%0.40846%0.462SS..Hα-helixtrans-58.9-37.4177-174.1-164.1-76.6152.1-10.4111.8H12 E13 R20H12-R16 WeakPolarHBondContact O-CB 3.23Å; H12-R16 PolarHBondContact O-N 2.9Å; E13-R16 PolarHBondContact O-N 3.26Å; R16-R20 WeakPolarHBondContact O-CG 3.5Å; R16-R20 PolarHBondContact O-N 2.85Å
17S96.1Very high91.7Very high64 Ų6489.2 Ų89.245%0.44846%0.457SS..Hα-helixtrans-69-42.3177.5-161.80000111.7E13 Q14 R15 R20 A21E13-S17 VanDerWaalsContact O-CB 3.28Å; E13-S17 WeakPolarHBondContact O-CB 3.15Å; E13-S17 PolarHBondContact O-N 3.45Å; Q14-S17 PolarHBondContact O-N 2.93Å; R15-S17 VanDerWaalsContact C-N 3.25Å; R15-S17 PolarHBondContact O-N 3.14Å; S17-R20 WeakPolarHBondContact O-CB 3.47Å; S17-R20 PolarHBondContact O-N 3.43Å; S17-A21 PolarHBondContact O-N 3.05Å
18L95.6Very high92.9Very high86 Ų8692.4 Ų92.445%0.4547%0.468SS..Hα-helixtrans-65.8-37174.3179.3153.7000112.1Q14 R15 A21 R22Q14-L18 VanDerWaalsContact O-CB 3.28Å; Q14-L18 WeakPolarHBondContact O-CB 3.27Å; Q14-L18 PolarHBondContact O-N 3.11Å; R15-L18 PolarHBondContact O-N 3Å; L18-A21 PolarHBondContact O-N 3Å; L18-R22 HydrophobicContact CD2-CG 4.31Å; L18-R22 WeakPolarHBondContact O-CB 3.47Å; L18-R22 WeakPolarHBondContact O-CG 3.44Å; L18-R22 PolarHBondContact O-N 3.28Å
19E95.1Very high93.8Very high80 Ų8096 Ų9637%0.37447%0.47SS..Hα-helixtrans-64.6-40.7172.2-74.2162.518000111.7R15 T23R15-E19 WeakPolarHBondContact CD-OE1 3.27Å; R15-E19 HydrophobicContact CG-CG 4.38Å; R15-E19 WeakPolarHBondContact CG-OE1 3.44Å; R15-E19 IonicContact CZ-OE1 3.68Å; R15-E19 IonicContact NE-OE1 3.93Å; R15-E19 VanDerWaalsContact NH1-CD 3.31Å; R15-E19 IonicContact NH1-OE1 2.69Å; R15-E19 PolarHBondContact NH1-OE1 2.84Å; R15-E19 IonicContact NH1-OE2 3.67Å; R15-E19 PolarHBondContact NH1-OE2 3.45Å; R15-E19 VanDerWaalsContact NH1-OE2 3.16Å; R15-E19 WeakPolarHBondContact O-CB 3.34Å; R15-E19 VanDerWaalsContact O-CG 3.31Å; R15-E19 WeakPolarHBondContact O-CG 3.19Å; R15-E19 PolarHBondContact O-N 2.95Å; E19-T23 WeakPolarHBondContact O-CG2 3.39Å; E19-T23 PolarHBondContact O-N 2.82Å; E19-T23 PolarHBondContact O-OG1 3.4Å
20R97.6Very high94.8Very high128 Ų12897.2 Ų97.248%0.48346%0.459SS..Hα-helixtrans-62.7-52.1169.6-71.9-164-159.8101.6-13.8111.6R16 S17 R22 T23 E24R16-R20 WeakPolarHBondContact O-CG 3.5Å; R16-R20 PolarHBondContact O-N 2.85Å; S17-R20 WeakPolarHBondContact O-CB 3.47Å; S17-R20 PolarHBondContact O-N 3.43Å; R20-R22 VanDerWaalsContact C-N 3.32Å; R20-R22 PolarHBondContact O-N 3.27Å; R20-T23 WeakPolarHBondContact CA-OG1 3.35Å; R20-T23 PolarHBondContact O-N 3.28Å; R20-T23 PolarHBondContact O-OG1 3.15Å; R20-E24 WeakPolarHBondContact O-CB 3.28Å; R20-E24 VanDerWaalsContact O-CG 3.31Å; R20-E24 WeakPolarHBondContact O-CG 3.42Å; R20-E24 PolarHBondContact O-N 3.41Å
21A97.5Very high95.4Very high40 Ų4099.2 Ų99.233%0.33146%0.458SS..Hα-helixtrans-56.6-44.5-179.900000112.2S17 L18 T23 E24 D25S17-A21 PolarHBondContact O-N 3.05Å; L18-A21 PolarHBondContact O-N 3Å; A21-T23 PolarHBondContact O-N 3.22Å; A21-E24 PolarHBondContact O-N 3.03Å; A21-D25 WeakPolarHBondContact O-CB 3.34Å; A21-D25 PolarHBondContact O-N 2.84Å
22R97.8Very high95.9Very high167 Ų167103.4 Ų103.463%0.6347%0.47SS*.Hα-helixtrans-59.6-44.8173.9-77.6-178.7176.2-177.50.8112.9L18 R20 Y26L18-R22 HydrophobicContact CD2-CG 4.31Å; L18-R22 WeakPolarHBondContact O-CB 3.47Å; L18-R22 WeakPolarHBondContact O-CG 3.44Å; L18-R22 PolarHBondContact O-N 3.28Å; R20-R22 VanDerWaalsContact C-N 3.32Å; R20-R22 PolarHBondContact O-N 3.27Å; R22-Y26 VanDerWaalsContact O-CB 3.25Å; R22-Y26 WeakPolarHBondContact O-CB 3.43Å; R22-Y26 PolarHBondContact O-N 3.35Å
23T97.8Very high96.4Very high79 Ų79105.8 Ų105.849%0.48549%0.489SS..Hα-helixtrans-73-39.1-179.747.10000111.9E19 R20 A21 Y26 L27E19-T23 WeakPolarHBondContact O-CG2 3.39Å; E19-T23 PolarHBondContact O-N 2.82Å; E19-T23 PolarHBondContact O-OG1 3.4Å; R20-T23 WeakPolarHBondContact CA-OG1 3.35Å; R20-T23 PolarHBondContact O-N 3.28Å; R20-T23 PolarHBondContact O-OG1 3.15Å; A21-T23 PolarHBondContact O-N 3.22Å; T23-Y26 PolarHBondContact O-N 3.36Å; T23-L27 WeakPolarHBondContact O-CB 3.5Å; T23-L27 WeakPolarHBondContact O-CG 3.31Å; T23-L27 PolarHBondContact O-N 3.18Å
24E98.3Very high96.8Very high91 Ų91109 Ų10943%0.42550%0.496SS..Hα-helixtrans-58.5-49.1171.5-76.7177.4-142.700112.2R20 A21 L27 K28R20-E24 WeakPolarHBondContact O-CB 3.28Å; R20-E24 VanDerWaalsContact O-CG 3.31Å; R20-E24 WeakPolarHBondContact O-CG 3.42Å; R20-E24 PolarHBondContact O-N 3.41Å; A21-E24 PolarHBondContact O-N 3.03Å; E24-L27 CarbonylContact O-C 3.38Å; E24-L27 PolarHBondContact O-N 3.19Å; E24-K28 WeakPolarHBondContact O-CB 3.49Å; E24-K28 WeakPolarHBondContact O-CG 3.47Å; E24-K28 PolarHBondContact O-N 2.68Å; E24-K28 IonicContact OE2-NZ 3.14Å; E24-K28 PolarHBondContact OE2-NZ 2.65Å; E24-K28 VanDerWaalsContact OE2-NZ 3.14Å
25D98.3Very high97Very high93 Ų93106.7 Ų106.750%0.49749%0.49SS..Hα-helixtrans-71.6-33.7-178.3-69.2-15.8000112.1A21 K28 R29A21-D25 WeakPolarHBondContact O-CB 3.34Å; A21-D25 PolarHBondContact O-N 2.84Å; D25-K28 WeakPolarHBondContact OD1-CD 3.46Å; D25-K28 IonicContact OD1-NZ 2.71Å; D25-K28 PolarHBondContact OD1-NZ 2.67Å; D25-R29 WeakPolarHBondContact O-CB 3.32Å; D25-R29 PolarHBondContact O-N 3.45Å
26Y98.4Very high97.4Very high103 Ų103109 Ų10940%0.40450%0.504SS..Hα-helixtrans-60-45.7167.3176.2-95.1000111.8R22 T23 R29 K30R22-Y26 VanDerWaalsContact O-CB 3.25Å; R22-Y26 WeakPolarHBondContact O-CB 3.43Å; R22-Y26 PolarHBondContact O-N 3.35Å; T23-Y26 PolarHBondContact O-N 3.36Å; Y26-R29 PolarHBondContact O-N 3.27Å; Y26-K30 HydrophobicContact CD1-CG 4.33Å; Y26-K30 HydrophobicContact CE1-CG 3.89Å; Y26-K30 HydrophobicContact CE2-CG 4.22Å; Y26-K30 WeakPolarHBondContact O-CB 3.34Å; Y26-K30 WeakPolarHBondContact O-CG 3.14Å; Y26-K30 PolarHBondContact O-N 3.47Å; Y26-K30 VanDerWaalsContact OH-CE 3.26Å; Y26-K30 WeakPolarHBondContact OH-CE 3.27Å
27L98.6Very high97.5Very high93 Ų93109.2 Ų109.249%0.48750%0.504SS..Hα-helixtrans-68.2-44.8178.2-72.7169000112.1T23 E24 R29 K30 I31T23-L27 WeakPolarHBondContact O-CB 3.5Å; T23-L27 WeakPolarHBondContact O-CG 3.31Å; T23-L27 PolarHBondContact O-N 3.18Å; E24-L27 CarbonylContact O-C 3.38Å; E24-L27 PolarHBondContact O-N 3.19Å; L27-R29 PolarHBondContact O-N 3.34Å; L27-K30 PolarHBondContact O-N 3.46Å; L27-K30 VanDerWaalsContact O-N 3.1Å; L27-I31 WeakPolarHBondContact O-CB 3.4Å; L27-I31 VanDerWaalsContact O-CG1 3.24Å; L27-I31 WeakPolarHBondContact O-CG1 3.23Å; L27-I31 PolarHBondContact O-N 2.98Å
28K98.5Very high97.5Very high90 Ų90109.6 Ų109.639%0.39151%0.507SS..Hα-helixtrans-52.9-43.5173.5-71.2162.8-154.8157.40110.6E24 D25 R32E24-K28 WeakPolarHBondContact O-CB 3.49Å; E24-K28 WeakPolarHBondContact O-CG 3.47Å; E24-K28 PolarHBondContact O-N 2.68Å; E24-K28 IonicContact OE2-NZ 3.14Å; E24-K28 PolarHBondContact OE2-NZ 2.65Å; E24-K28 VanDerWaalsContact OE2-NZ 3.14Å; D25-K28 WeakPolarHBondContact OD1-CD 3.46Å; D25-K28 IonicContact OD1-NZ 2.71Å; D25-K28 PolarHBondContact OD1-NZ 2.67Å; K28-R32 WeakPolarHBondContact O-CG 3.15Å; K28-R32 PolarHBondContact O-N 3.13Å
29R98.1Very high97.6Very high163 Ų163109.2 Ų109.262%0.61550%0.503SS*.Hα-helixtrans-66.2-49.1174.4179169.255.2171.4-4.1112.4D25 Y26 L27 I31 R32 S33D25-R29 WeakPolarHBondContact O-CB 3.32Å; D25-R29 PolarHBondContact O-N 3.45Å; Y26-R29 PolarHBondContact O-N 3.27Å; L27-R29 PolarHBondContact O-N 3.34Å; R29-I31 VanDerWaalsContact C-N 3.33Å; R29-I31 PolarHBondContact O-N 3.32Å; R29-R32 PolarHBondContact O-N 2.87Å; R29-S33 PolarHBondContact O-N 3.01Å; R29-S33 PolarHBondContact O-OG 2.98Å
30K98.4Very high97.7Very high110 Ų110107.7 Ų107.748%0.47850%0.497SS..Hα-helixtrans-65.8-29.5-179.5-77.8-66.8-169.8179.10114.1Y26 L27 S33 R34Y26-K30 HydrophobicContact CD1-CG 4.33Å; Y26-K30 HydrophobicContact CE1-CG 3.89Å; Y26-K30 HydrophobicContact CE2-CG 4.22Å; Y26-K30 WeakPolarHBondContact O-CB 3.34Å; Y26-K30 WeakPolarHBondContact O-CG 3.14Å; Y26-K30 PolarHBondContact O-N 3.47Å; Y26-K30 VanDerWaalsContact OH-CE 3.26Å; Y26-K30 WeakPolarHBondContact OH-CE 3.27Å; L27-K30 PolarHBondContact O-N 3.46Å; L27-K30 VanDerWaalsContact O-N 3.1Å; K30-S33 CarbonylContact O-C 3.59Å; K30-R34 PolarHBondContact O-N 3.35Å
31I97.9Very high97.6Very high121 Ų121102.1 Ų102.162%0.62148%0.477SS*.Hα-helixtrans-72-41.9174.9-69.6164.1000110.6L27 R29 S33 R34L27-I31 WeakPolarHBondContact O-CB 3.4Å; L27-I31 VanDerWaalsContact O-CG1 3.24Å; L27-I31 WeakPolarHBondContact O-CG1 3.23Å; L27-I31 PolarHBondContact O-N 2.98Å; R29-I31 VanDerWaalsContact C-N 3.33Å; R29-I31 PolarHBondContact O-N 3.32Å; I31-S33 VanDerWaalsContact C-N 3.33Å; I31-S33 PolarHBondContact O-N 3.18Å; I31-R34 VanDerWaalsContact O-CB 3.31Å; I31-R34 WeakPolarHBondContact O-CB 3.15Å; I31-R34 PolarHBondContact O-N 2.92Å
32R97.6Very high97.6Very high220 Ų220107.3 Ų107.383%0.8349%0.488SS*.Hα-helixtrans-64-36.7173.4-70.3171.9-175.21731.7112.4K28 R29K28-R32 WeakPolarHBondContact O-CG 3.15Å; K28-R32 PolarHBondContact O-N 3.13Å; R29-R32 PolarHBondContact O-N 2.87Å
33S97.4Very high97.6Very high74 Ų74104.3 Ų104.352%0.51748%0.483SS..THydrogen-bonded Turntrans-97.234.817878.80000112.9R29 K30 I31 P35R29-S33 PolarHBondContact O-N 3.01Å; R29-S33 PolarHBondContact O-OG 2.98Å; K30-S33 CarbonylContact O-C 3.59Å; I31-S33 VanDerWaalsContact C-N 3.33Å; I31-S33 PolarHBondContact O-N 3.18Å; S33-P35 WeakPolarHBondContact O-CD 3.48Å
34R98.1Very high97.4Very high203 Ų203108.5 Ų108.577%0.76650%0.497SS*.PPolyproline II helixtrans-87121.3-178.5-174.3-177.8-178.3-141.6-0.5110.1K30 I31K30-R34 PolarHBondContact O-N 3.35Å; I31-R34 VanDerWaalsContact O-CB 3.31Å; I31-R34 WeakPolarHBondContact O-CB 3.15Å; I31-R34 PolarHBondContact O-N 2.92Å
35P97.8Very high97.3Very high62 Ų62109.7 Ų109.740%0.40350%0.504SS..PPolyproline II helixtrans-58.3147.7173.7-26.736.7000113S33 E39 L40S33-P35 WeakPolarHBondContact O-CD 3.48Å; P35-E39 HydrophobicContact CB-CG 4.27Å; P35-L40 HydrophobicContact CB-CD2 3.94Å; P35-L40 HydrophobicContact CB-CG 4.08Å; P35-L40 HydrophobicContact CG-CD2 4.41Å
36E97.7Very high97.2Very high114 Ų114108.5 Ų108.553%0.53350%0.498SS..PPolyproline II helixtrans-78.2157.4172.7-153-72.8110.400110.1S38 E39 L40E36-S38 VanDerWaalsContact C-N 3.34Å; E36-S38 PolarHBondContact O-N 3.22Å; E36-S38 WeakPolarHBondContact OE2-CA 3.37Å; E36-S38 WeakPolarHBondContact OE2-CB 3.25Å; E36-S38 PolarHBondContact OE2-N 3.38Å; E36-S38 PolarHBondContact OE2-OG 2.87Å; E36-E39 WeakPolarHBondContact O-CB 3.25Å; E36-E39 PolarHBondContact O-N 2.89Å; E36-E39 VanDerWaalsContact O-N 3.16Å; E36-L40 PolarHBondContact O-N 3.36Å; E36-L40 VanDerWaalsContact O-N 3.1Å
37R95.7Very high96.9Very high112 Ų112106.5 Ų106.542%0.42349%0.492SS..Hα-helixtrans-57.1-44178.2-173.8-171.9166.9-72.9-5111.8E39 L40 V41 L46 E47 T49R37-E39 VanDerWaalsContact C-N 3.27Å; R37-E39 PolarHBondContact O-N 3.11Å; R37-L40 PolarHBondContact O-N 2.8Å; R37-V41 HydrophobicContact CG-CG2 4.34Å; R37-V41 WeakPolarHBondContact O-CB 3.15Å; R37-V41 VanDerWaalsContact O-CG2 3.25Å; R37-V41 WeakPolarHBondContact O-CG2 3.46Å; R37-V41 PolarHBondContact O-N 2.94Å; R37-L46 HydrophobicContact CG-CD1 4.02Å; R37-E47 PolarHBondContact NH2-O 2.77Å; R37-T49 PolarHBondContact NH2-O 3.13Å
38S96.1Very high96.6Very high72 Ų72108.9 Ų108.950%0.50350%0.501SS..Hα-helixtrans-63.1-31.9178.364.70000112.6E36 V41 R42E36-S38 VanDerWaalsContact C-N 3.34Å; E36-S38 PolarHBondContact O-N 3.22Å; E36-S38 WeakPolarHBondContact OE2-CA 3.37Å; E36-S38 WeakPolarHBondContact OE2-CB 3.25Å; E36-S38 PolarHBondContact OE2-N 3.38Å; E36-S38 PolarHBondContact OE2-OG 2.87Å; S38-V41 PolarHBondContact O-N 2.79Å; S38-R42 VanDerWaalsContact O-CB 3.22Å; S38-R42 WeakPolarHBondContact O-CB 3.28Å; S38-R42 PolarHBondContact O-N 2.99Å
39E96.9Very high96Very high78 Ų78105.3 Ų105.336%0.36449%0.486SS..Hα-helixtrans-68.4-44.5172.7169.9155.6-108.500111.8P35 E36 R37 V41 R42 M43P35-E39 HydrophobicContact CB-CG 4.27Å; E36-E39 WeakPolarHBondContact O-CB 3.25Å; E36-E39 PolarHBondContact O-N 2.89Å; E36-E39 VanDerWaalsContact O-N 3.16Å; R37-E39 VanDerWaalsContact C-N 3.27Å; R37-E39 PolarHBondContact O-N 3.11Å; E39-V41 VanDerWaalsContact C-N 3.26Å; E39-V41 PolarHBondContact O-N 2.65Å; E39-R42 PolarHBondContact O-N 2.85Å; E39-R42 IonicContact OE1-CZ 3.94Å; E39-R42 IonicContact OE1-NH2 2.76Å; E39-R42 PolarHBondContact OE1-NH2 3.1Å; E39-M43 HydrophobicContact CG-CG 4.41Å; E39-M43 VanDerWaalsContact O-CB 3.31Å; E39-M43 WeakPolarHBondContact O-CB 3.17Å; E39-M43 WeakPolarHBondContact O-CG 3.43Å; E39-M43 PolarHBondContact O-N 2.9Å
40L97.3Very high95.4Very high49 Ų49103.8 Ų103.826%0.25750%0.501SS..Hα-helixtrans-63.6-33.2174.7-63.9175.8000112.1P35 E36 R37 H44 I45 L46P35-L40 HydrophobicContact CB-CD2 3.94Å; P35-L40 HydrophobicContact CB-CG 4.08Å; P35-L40 HydrophobicContact CG-CD2 4.41Å; E36-L40 PolarHBondContact O-N 3.36Å; E36-L40 VanDerWaalsContact O-N 3.1Å; R37-L40 PolarHBondContact O-N 2.8Å; L40-H44 PolarHBondContact O-N 3.16Å; L40-I45 HydrophobicContact CB-CB 4.37Å; L40-I45 HydrophobicContact CD2-CB 4.39Å; L40-I45 HydrophobicContact CD2-CD1 3.92Å; L40-I45 HydrophobicContact CD2-CG2 4.29Å; L40-I45 WeakPolarHBondContact O-CA 3.4Å; L40-I45 WeakPolarHBondContact O-CB 3.36Å; L40-I45 PolarHBondContact O-N 3.39Å; L40-L46 HydrophobicContact CB-CB 4.37Å; L40-L46 HydrophobicContact CB-CD1 3.82Å; L40-L46 HydrophobicContact CB-CG 3.94Å; L40-L46 HydrophobicContact CD1-CD1 3.87Å; L40-L46 HydrophobicContact CD1-CG 4.45Å; L40-L46 PolarHBondContact O-N 3.39Å; L40-L46 VanDerWaalsContact O-N 3.15Å
41V96.1Very high94.8Very high10 Ų1099.9 Ų99.96%0.06149%0.489CS..Hα-helixtrans-70.4-48.5174.3173.10000111.3R37 S38 E39 M43 H44 L46 E48R37-V41 HydrophobicContact CG-CG2 4.34Å; R37-V41 WeakPolarHBondContact O-CB 3.15Å; R37-V41 VanDerWaalsContact O-CG2 3.25Å; R37-V41 WeakPolarHBondContact O-CG2 3.46Å; R37-V41 PolarHBondContact O-N 2.94Å; S38-V41 PolarHBondContact O-N 2.79Å; E39-V41 VanDerWaalsContact C-N 3.26Å; E39-V41 PolarHBondContact O-N 2.65Å; V41-M43 PolarHBondContact O-N 3.4Å; V41-H44 WeakPolarHBondContact O-CA 3.41Å; V41-H44 PolarHBondContact O-N 2.76Å; V41-L46 WeakPolarHBondContact CA-O 3.49Å; V41-L46 HydrophobicContact CG2-CB 3.78Å; V41-E48 HydrophobicContact CG1-CB 4.14Å; V41-E48 HydrophobicContact CG1-CG 3.66Å; V41-E48 WeakPolarHBondContact CG1-OE1 3.22Å
42R96.9Very high94.5Very high149 Ų14999.8 Ų99.856%0.56249%0.486SS*.Hα-helixtrans-54.5-36.6172.2179.3-176.967.476.6-4112.3S38 E39 H44S38-R42 VanDerWaalsContact O-CB 3.22Å; S38-R42 WeakPolarHBondContact O-CB 3.28Å; S38-R42 PolarHBondContact O-N 2.99Å; E39-R42 PolarHBondContact O-N 2.85Å; E39-R42 IonicContact OE1-CZ 3.94Å; E39-R42 IonicContact OE1-NH2 2.76Å; E39-R42 PolarHBondContact OE1-NH2 3.1Å; R42-H44 VanDerWaalsContact C-N 3.25Å; R42-H44 PolarHBondContact O-N 2.56Å; R42-H44 PolarHBondContact O-ND1 2.78Å; R42-H44 VanDerWaalsContact O-ND1 3.13Å
43M97.1Very high94.2Very high105 Ų10594.3 Ų94.352%0.51748%0.479SS..THydrogen-bonded Turntrans-80.51.3176-67.4-101.75400113.9E39 V41 I45E39-M43 HydrophobicContact CG-CG 4.41Å; E39-M43 VanDerWaalsContact O-CB 3.31Å; E39-M43 WeakPolarHBondContact O-CB 3.17Å; E39-M43 WeakPolarHBondContact O-CG 3.43Å; E39-M43 PolarHBondContact O-N 2.9Å; V41-M43 PolarHBondContact O-N 3.4Å; M43-I45 HydrophobicContact CB-CD1 3.77Å; M43-I45 HydrophobicContact CB-CG1 3.95Å; M43-I45 PolarHBondContact O-N 3.43Å
44H95.3Very high94.1Very high167 Ų16794 Ų9477%0.77348%0.477SS*.THydrogen-bonded Turntrans57.127.2-176.6-6165.9000113.9L40 V41 R42L40-H44 PolarHBondContact O-N 3.16Å; V41-H44 WeakPolarHBondContact O-CA 3.41Å; V41-H44 PolarHBondContact O-N 2.76Å; R42-H44 VanDerWaalsContact C-N 3.25Å; R42-H44 PolarHBondContact O-N 2.56Å; R42-H44 PolarHBondContact O-ND1 2.78Å; R42-H44 VanDerWaalsContact O-ND1 3.13Å
45I95.9Very high93.9Very high115 Ų11588.3 Ų88.359%0.5946%0.461SS*.SBendtrans-87.1-30173.8-59.9169.2000110.4L40 M43L40-I45 HydrophobicContact CB-CB 4.37Å; L40-I45 HydrophobicContact CD2-CB 4.39Å; L40-I45 HydrophobicContact CD2-CD1 3.92Å; L40-I45 HydrophobicContact CD2-CG2 4.29Å; L40-I45 WeakPolarHBondContact O-CA 3.4Å; L40-I45 WeakPolarHBondContact O-CB 3.36Å; L40-I45 PolarHBondContact O-N 3.39Å; M43-I45 HydrophobicContact CB-CD1 3.77Å; M43-I45 HydrophobicContact CB-CG1 3.95Å; M43-I45 PolarHBondContact O-N 3.43Å
46L94.8Very high93.7Very high69 Ų6987.5 Ų87.536%0.36145%0.452SS..SBendtrans-122148170.8-67.3178.7000109.8R37 L40 V41R37-L46 HydrophobicContact CG-CD1 4.02Å; L40-L46 HydrophobicContact CB-CB 4.37Å; L40-L46 HydrophobicContact CB-CD1 3.82Å; L40-L46 HydrophobicContact CB-CG 3.94Å; L40-L46 HydrophobicContact CD1-CD1 3.87Å; L40-L46 HydrophobicContact CD1-CG 4.45Å; L40-L46 PolarHBondContact O-N 3.39Å; L40-L46 VanDerWaalsContact O-N 3.15Å; V41-L46 WeakPolarHBondContact CA-O 3.49Å; V41-L46 HydrophobicContact CG2-CB 3.78Å
47E93.3Very high93.5Very high60 Ų6085.7 Ų85.728%0.2846%0.456SS..  trans-73.8151.9176.8-73.8-70.6159.900112.2R37 T49 L60R37-E47 PolarHBondContact NH2-O 2.77Å; E47-T49 PolarHBondContact O-N 2.88Å; E47-L60 HydrophobicContact CG-CD2 4.13Å; E47-L60 WeakPolarHBondContact OE1-CD1 3.48Å; E47-L60 WeakPolarHBondContact OE1-CD2 3.31Å
48E91.3Very high93.5Very high143 Ų14387.8 Ų87.867%0.66847%0.469SS*.SBendtrans-73.646.2-179.3-47.6-141.810900113V41V41-E48 HydrophobicContact CG1-CB 4.14Å; V41-E48 HydrophobicContact CG1-CG 3.66Å; V41-E48 WeakPolarHBondContact CG1-OE1 3.22Å
49T86.9Confident93.5Very high15 Ų1588.4 Ų88.49%0.09246%0.464CS..  trans-127.5127.4-161.9-63.20000112R37 E47 A51 Q56 Q59R37-T49 PolarHBondContact NH2-O 3.13Å; E47-T49 PolarHBondContact O-N 2.88Å; T49-A51 HydrophobicContact CG2-CB 3.64Å; T49-Q56 HydrophobicContact CG2-CG 3.99Å; T49-Q59 VanDerWaalsContact CG2-OE1 3.27Å
50S85.7Confident93.4Very high131 Ų13186.5 Ų86.592%0.91646%0.456SS*.  trans-82-13.3175.351.70000114
51A85.7Confident93.3Very high28 Ų2892.2 Ų92.223%0.23148%0.478CS..SBendtrans-65.7156.6178.700000112.9T49 Q56 Q59T49-A51 HydrophobicContact CG2-CB 3.64Å; A51-Q56 PolarHBondContact O-NE2 2.89Å; A51-Q59 VanDerWaalsContact CB-OE1 3.26Å
52E90.4Very high93.3Very high120 Ų12095.9 Ų95.956%0.56150%0.497SS*.  trans-51.9140.2179.3-166.2-166.6133.200112.3S54 L55 Q56E52-S54 PolarHBondContact O-N 3.36Å; E52-S54 WeakPolarHBondContact OE1-CB 3.41Å; E52-S54 PolarHBondContact OE1-OG 2.83Å; E52-L55 HydrophobicContact CB-CG 4.44Å; E52-L55 PolarHBondContact O-N 3.37Å; E52-Q56 PolarHBondContact O-N 2.84Å
53P92.6Very high93.3Very high104 Ų10494.3 Ų94.368%0.67550%0.495SS*.Hα-helixtrans-51.4-31.7-179.8-3136.7000115.4L55P53-L55 VanDerWaalsContact C-N 3.26Å; P53-L55 PolarHBondContact O-N 3.22Å
54S93.8Very high93.4Very high69 Ų6997 Ų9748%0.48350%0.499SS..Hα-helixtrans-65-26.3176.364.70000113.8E52E52-S54 PolarHBondContact O-N 3.36Å; E52-S54 WeakPolarHBondContact OE1-CB 3.41Å; E52-S54 PolarHBondContact OE1-OG 2.83Å
55L94.7Very high93.5Very high82 Ų8291 Ų9143%0.42948%0.479SS..Hα-helixtrans-96.7-24.9-176.7-60.2-177.4000113.1E52 P53 A57 K58 Q59E52-L55 HydrophobicContact CB-CG 4.44Å; E52-L55 PolarHBondContact O-N 3.37Å; P53-L55 VanDerWaalsContact C-N 3.26Å; P53-L55 PolarHBondContact O-N 3.22Å; L55-A57 VanDerWaalsContact C-N 3.3Å; L55-A57 PolarHBondContact O-N 3.45Å; L55-K58 WeakPolarHBondContact O-CA 3.5Å; L55-K58 WeakPolarHBondContact O-CB 3.25Å; L55-K58 PolarHBondContact O-N 3.13Å; L55-Q59 PolarHBondContact O-N 3.49Å
56Q93.7Very high93.6Very high45 Ų4593.5 Ų93.521%0.2148%0.481CS..Hα-helixtrans-53.1-43-173.2-70.9173.815.100113.1T49 A51 E52 K58 Q59 L60T49-Q56 HydrophobicContact CG2-CG 3.99Å; A51-Q56 PolarHBondContact O-NE2 2.89Å; E52-Q56 PolarHBondContact O-N 2.84Å; Q56-K58 PolarHBondContact O-N 2.81Å; Q56-Q59 PolarHBondContact O-N 2.96Å; Q56-L60 WeakPolarHBondContact O-CB 3.42Å; Q56-L60 PolarHBondContact O-N 3.38Å
57A93.4Very high93.8Very high76 Ų7694.7 Ų94.763%0.62849%0.487SS*.Hα-helixtrans-64.5-38.5177.100000113.3L55 K61L55-A57 VanDerWaalsContact C-N 3.3Å; L55-A57 PolarHBondContact O-N 3.45Å; A57-K61 PolarHBondContact O-N 2.87Å; A57-K61 VanDerWaalsContact O-N 3.15Å
58K95.8Very high94Very high157 Ų15794.6 Ų94.668%0.68350%0.496SS*.Hα-helixtrans-70.6-42.9175.8-66.7-179.3179.41770111L55 Q56 K61 L62L55-K58 WeakPolarHBondContact O-CA 3.5Å; L55-K58 WeakPolarHBondContact O-CB 3.25Å; L55-K58 PolarHBondContact O-N 3.13Å; Q56-K58 PolarHBondContact O-N 2.81Å; K58-K61 PolarHBondContact O-N 3.32Å; K58-L62 WeakPolarHBondContact O-CB 3.33Å; K58-L62 PolarHBondContact O-N 3.05Å
59Q95.4Very high94.4Very high85 Ų8592.7 Ų92.740%0.39749%0.49SS..Hα-helixtrans-63-40.9176.9-178.9170.9-9.200111.8T49 A51 L55 Q56 L62 K63T49-Q59 VanDerWaalsContact CG2-OE1 3.27Å; A51-Q59 VanDerWaalsContact CB-OE1 3.26Å; L55-Q59 PolarHBondContact O-N 3.49Å; Q56-Q59 PolarHBondContact O-N 2.96Å; Q59-L62 PolarHBondContact O-N 2.86Å; Q59-K63 VanDerWaalsContact O-CB 3.28Å; Q59-K63 WeakPolarHBondContact O-CB 3.48Å; Q59-K63 PolarHBondContact O-N 3.47Å
60L94.6Very high94.9Very high37 Ų3794.9 Ų94.919%0.19450%0.502CS..Hα-helixtrans-63.9-43174.6-178.859.1000111.9E47 Q56 K63 R64E47-L60 HydrophobicContact CG-CD2 4.13Å; E47-L60 WeakPolarHBondContact OE1-CD1 3.48Å; E47-L60 WeakPolarHBondContact OE1-CD2 3.31Å; Q56-L60 WeakPolarHBondContact O-CB 3.42Å; Q56-L60 PolarHBondContact O-N 3.38Å; L60-K63 PolarHBondContact O-N 3.4Å; L60-R64 HydrophobicContact CD1-CG 4.42Å; L60-R64 WeakPolarHBondContact O-CB 3.22Å; L60-R64 WeakPolarHBondContact O-CG 3.49Å; L60-R64 PolarHBondContact O-N 3.19Å
61K96.4Very high95.5Very high169 Ų16992.7 Ų92.774%0.73548%0.479SS*.Hα-helixtrans-60.8-44.2174-171.5179.1178.8-176.10111.4A57 K58 R64 A65A57-K61 PolarHBondContact O-N 2.87Å; A57-K61 VanDerWaalsContact O-N 3.15Å; K58-K61 PolarHBondContact O-N 3.32Å; K61-R64 PolarHBondContact O-N 3.34Å; K61-A65 WeakPolarHBondContact O-CB 3.33Å; K61-A65 PolarHBondContact O-N 2.88Å
62L96.7Very high96.1Very high87 Ų8796.8 Ų96.846%0.45550%0.497SS..Hα-helixtrans-66.6-39.8177.5-178.261.7000112.7K58 Q59 R64 A65 R66K58-L62 WeakPolarHBondContact O-CB 3.33Å; K58-L62 PolarHBondContact O-N 3.05Å; Q59-L62 PolarHBondContact O-N 2.86Å; L62-R64 VanDerWaalsContact C-N 3.34Å; L62-A65 PolarHBondContact O-N 3.39Å; L62-R66 HydrophobicContact CD1-CG 4.19Å; L62-R66 WeakPolarHBondContact O-CB 3.32Å; L62-R66 WeakPolarHBondContact O-CG 3.48Å; L62-R66 PolarHBondContact O-N 2.84Å
63K96.5Very high96.5Very high117 Ų11797.4 Ų97.451%0.50950%0.5SS..Hα-helixtrans-61.8-41.5174.7-176.3-179.6177.8-175.60111Q59 L60 L67Q59-K63 VanDerWaalsContact O-CB 3.28Å; Q59-K63 WeakPolarHBondContact O-CB 3.48Å; Q59-K63 PolarHBondContact O-N 3.47Å; L60-K63 PolarHBondContact O-N 3.4Å; K63-L67 VanDerWaalsContact O-CB 3.25Å; K63-L67 WeakPolarHBondContact O-CB 3.36Å; K63-L67 PolarHBondContact O-N 2.95Å; K63-L67 VanDerWaalsContact O-N 3.13Å
64R97.9Very high96.7Very high161 Ų16198.3 Ų98.361%0.60849%0.493SS*.Hα-helixtrans-69-41.1175.5-71176.2-173.5-169.52.4112.7L60 K61 L62 A68L60-R64 HydrophobicContact CD1-CG 4.42Å; L60-R64 WeakPolarHBondContact O-CB 3.22Å; L60-R64 WeakPolarHBondContact O-CG 3.49Å; L60-R64 PolarHBondContact O-N 3.19Å; K61-R64 PolarHBondContact O-N 3.34Å; L62-R64 VanDerWaalsContact C-N 3.34Å; R64-A68 WeakPolarHBondContact O-CB 3.49Å; R64-A68 PolarHBondContact O-N 2.92Å
65A98.2Very high96.9Very high42 Ų42100.4 Ų100.435%0.34750%0.498SS..Hα-helixtrans-61.1-58.6175.300000111K61 L62 L67 A68 D69K61-A65 WeakPolarHBondContact O-CB 3.33Å; K61-A65 PolarHBondContact O-N 2.88Å; L62-A65 PolarHBondContact O-N 3.39Å; A65-L67 PolarHBondContact O-N 2.92Å; A65-L67 VanDerWaalsContact O-N 3.11Å; A65-A68 CarbonylContact O-C 3.41Å; A65-A68 WeakPolarHBondContact O-CA 3.47Å; A65-A68 WeakPolarHBondContact O-CB 3.48Å; A65-A68 PolarHBondContact O-N 3.29Å; A65-D69 VanDerWaalsContact C-OD2 3.3Å; A65-D69 PolarHBondContact O-N 3.15Å; A65-D69 VanDerWaalsContact O-OD2 3.06Å
66R98.3Very high97Very high167 Ų167100.1 Ų100.163%0.6351%0.508SS*.Hα-helixtrans-55.1-35.2178.8-71.6177.7174.8-177.8-2.5113.6L62 D70L62-R66 HydrophobicContact CD1-CG 4.19Å; L62-R66 WeakPolarHBondContact O-CB 3.32Å; L62-R66 WeakPolarHBondContact O-CG 3.48Å; L62-R66 PolarHBondContact O-N 2.84Å; R66-D70 VanDerWaalsContact O-CB 3.27Å; R66-D70 WeakPolarHBondContact O-CB 3.49Å; R66-D70 PolarHBondContact O-N 3.13Å
67L98.3Very high97.1Very high94 Ų94105.3 Ų105.349%0.49253%0.532SS..Hα-helixtrans-71.5-37.7175.2-178.663.1000112.1K63 A65 L71K63-L67 VanDerWaalsContact O-CB 3.25Å; K63-L67 WeakPolarHBondContact O-CB 3.36Å; K63-L67 PolarHBondContact O-N 2.95Å; K63-L67 VanDerWaalsContact O-N 3.13Å; A65-L67 PolarHBondContact O-N 2.92Å; A65-L67 VanDerWaalsContact O-N 3.11Å; L67-L71 HydrophobicContact CD1-CD1 4.01Å; L67-L71 HydrophobicContact CD1-CG 4.09Å; L67-L71 HydrophobicContact CG-CD1 3.93Å; L67-L71 HydrophobicContact CG-CG 4.41Å; L67-L71 VanDerWaalsContact O-CB 3.25Å; L67-L71 WeakPolarHBondContact O-CB 3.14Å; L67-L71 WeakPolarHBondContact O-CG 3.42Å; L67-L71 PolarHBondContact O-N 3.07Å
68A98.3Very high97.3Very high57 Ų57110.9 Ų110.947%0.47154%0.537SS..Hα-helixtrans-65.1-41172.900000111.2R64 A65 N72R64-A68 WeakPolarHBondContact O-CB 3.49Å; R64-A68 PolarHBondContact O-N 2.92Å; A65-A68 CarbonylContact O-C 3.41Å; A65-A68 WeakPolarHBondContact O-CA 3.47Å; A65-A68 WeakPolarHBondContact O-CB 3.48Å; A65-A68 PolarHBondContact O-N 3.29Å; A68-N72 WeakPolarHBondContact O-CB 3.45Å; A68-N72 PolarHBondContact O-N 3.1Å
69D98.3Very high97.4Very high103 Ų103106 Ų10655%0.55152%0.521SS*.Hα-helixtrans-63.5-51.3178.2-52.4-37000111.2A65 L71 N72 E73A65-D69 VanDerWaalsContact C-OD2 3.3Å; A65-D69 PolarHBondContact O-N 3.15Å; A65-D69 VanDerWaalsContact O-OD2 3.06Å; D69-L71 PolarHBondContact O-N 3.34Å; D69-N72 PolarHBondContact O-N 2.93Å; D69-E73 PolarHBondContact O-N 3.22Å
70D98.5Very high97.4Very high62 Ų62103.2 Ų103.233%0.33252%0.515SS..Hα-helixtrans-60.3-41.4176.416986000113R66 K74R66-D70 VanDerWaalsContact O-CB 3.27Å; R66-D70 WeakPolarHBondContact O-CB 3.49Å; R66-D70 PolarHBondContact O-N 3.13Å; D70-K74 WeakPolarHBondContact O-CD 3.41Å; D70-K74 VanDerWaalsContact O-CG 3.32Å; D70-K74 WeakPolarHBondContact O-CG 3.34Å; D70-K74 PolarHBondContact O-N 3.43Å; D70-K74 VanDerWaalsContact O-N 3.13Å; D70-K74 VanDerWaalsContact OD1-CE 3.23Å; D70-K74 WeakPolarHBondContact OD1-CE 3.4Å; D70-K74 IonicContact OD1-NZ 2.65Å; D70-K74 PolarHBondContact OD1-NZ 3.23Å; D70-K74 IonicContact OD2-NZ 2.68Å; D70-K74 PolarHBondContact OD2-NZ 2.84Å
71L98.5Very high97.3Very high84 Ų84105.9 Ų105.944%0.4453%0.534SS..Hα-helixtrans-69.7-36.5174.9-71.6173.9000111.8L67 D69 K74 I75L67-L71 HydrophobicContact CD1-CD1 4.01Å; L67-L71 HydrophobicContact CD1-CG 4.09Å; L67-L71 HydrophobicContact CG-CD1 3.93Å; L67-L71 HydrophobicContact CG-CG 4.41Å; L67-L71 VanDerWaalsContact O-CB 3.25Å; L67-L71 WeakPolarHBondContact O-CB 3.14Å; L67-L71 WeakPolarHBondContact O-CG 3.42Å; L67-L71 PolarHBondContact O-N 3.07Å; D69-L71 PolarHBondContact O-N 3.34Å; L71-K74 PolarHBondContact O-N 3.21Å; L71-I75 WeakPolarHBondContact O-CB 3.42Å; L71-I75 WeakPolarHBondContact O-CD1 3.38Å; L71-I75 WeakPolarHBondContact O-CG1 3.4Å; L71-I75 PolarHBondContact O-N 3.31Å
72N98.3Very high97Very high114 Ų114102 Ų10261%0.6152%0.52SS*.Hα-helixtrans-66.2-41.1178-173.270.7000111.5A68 D69 I75 A76A68-N72 WeakPolarHBondContact O-CB 3.45Å; A68-N72 PolarHBondContact O-N 3.1Å; D69-N72 PolarHBondContact O-N 2.93Å; N72-I75 PolarHBondContact O-N 3.15Å; N72-A76 WeakPolarHBondContact O-CB 3.47Å; N72-A76 PolarHBondContact O-N 2.92Å
73E97.7Very high96.8Very high134 Ų134101.2 Ų101.263%0.62651%0.514SS*.Hα-helixtrans-60.4-47.2171.7-172.4179.9172.300111.5D69 I75 A76 Q77D69-E73 PolarHBondContact O-N 3.22Å; E73-I75 VanDerWaalsContact C-N 3.28Å; E73-I75 PolarHBondContact O-N 3.41Å; E73-A76 PolarHBondContact O-N 3.23Å; E73-Q77 WeakPolarHBondContact O-CG 3.46Å; E73-Q77 PolarHBondContact O-N 3.46Å
74K98.1Very high96.8Very high122 Ų12298 Ų9853%0.5350%0.502SS..Hα-helixtrans-65-27.9177.4-73.3167.2-174.4161.80114D70 L71 R78D70-K74 WeakPolarHBondContact O-CD 3.41Å; D70-K74 VanDerWaalsContact O-CG 3.32Å; D70-K74 WeakPolarHBondContact O-CG 3.34Å; D70-K74 PolarHBondContact O-N 3.43Å; D70-K74 VanDerWaalsContact O-N 3.13Å; D70-K74 VanDerWaalsContact OD1-CE 3.23Å; D70-K74 WeakPolarHBondContact OD1-CE 3.4Å; D70-K74 IonicContact OD1-NZ 2.65Å; D70-K74 PolarHBondContact OD1-NZ 3.23Å; D70-K74 IonicContact OD2-NZ 2.68Å; D70-K74 PolarHBondContact OD2-NZ 2.84Å; L71-K74 PolarHBondContact O-N 3.21Å; K74-R78 PolarHBondContact O-N 3.37Å
75I96.9Very high96.4Very high113 Ų11391 Ų9158%0.57948%0.478SS*.Hα-helixtrans-80.9-34.9175.5-70.7163.9000110.8L71 N72 E73 R78L71-I75 WeakPolarHBondContact O-CB 3.42Å; L71-I75 WeakPolarHBondContact O-CD1 3.38Å; L71-I75 WeakPolarHBondContact O-CG1 3.4Å; L71-I75 PolarHBondContact O-N 3.31Å; N72-I75 PolarHBondContact O-N 3.15Å; E73-I75 VanDerWaalsContact C-N 3.28Å; E73-I75 PolarHBondContact O-N 3.41Å; I75-R78 WeakPolarHBondContact O-CB 3.31Å; I75-R78 PolarHBondContact O-N 3.24Å
76A97.3Very high96.1Very high77 Ų7793.9 Ų93.964%0.63648%0.484SS*.Hα-helixtrans-66.5-39.1172.600000111.9N72 E73 R78N72-A76 WeakPolarHBondContact O-CB 3.47Å; N72-A76 PolarHBondContact O-N 2.92Å; E73-A76 PolarHBondContact O-N 3.23Å; A76-R78 PolarHBondContact O-N 2.58Å
77Q96.9Very high95.8Very high153 Ų15391.5 Ų91.572%0.71548%0.478SS*.THydrogen-bonded Turntrans-87.623.7175.1-59.5-63.3-1400113.3E73 P79E73-Q77 WeakPolarHBondContact O-CG 3.46Å; E73-Q77 PolarHBondContact O-N 3.46Å; Q77-P79 WeakPolarHBondContact O-CD 3.4Å
78R97.4Very high95.3Very high193 Ų19392.9 Ų92.973%0.72849%0.486SS*.PPolyproline II helixtrans-73.5120.8-178.5179.8179.6179.6179.80.8110.6K74 I75 A76 G80K74-R78 PolarHBondContact O-N 3.37Å; I75-R78 WeakPolarHBondContact O-CB 3.31Å; I75-R78 PolarHBondContact O-N 3.24Å; A76-R78 PolarHBondContact O-N 2.58Å; R78-G80 PolarHBondContact O-N 2.97Å
79P96.4Very high95Very high56 Ų5695.7 Ų95.736%0.36449%0.492SS..PPolyproline II helixtrans-55.6135.9179.8-29.637.5000113.6Q77 E83 L84Q77-P79 WeakPolarHBondContact O-CD 3.4Å; P79-E83 VanDerWaalsContact CA-OE1 3.28Å; P79-E83 WeakPolarHBondContact CA-OE1 3.44Å; P79-E83 HydrophobicContact CB-CB 4.29Å; P79-L84 HydrophobicContact CB-CD2 4.21Å; P79-L84 HydrophobicContact CB-CG 4.39Å
80G96.1Very high94.7Very high26 Ų2694.3 Ų94.327%0.26848%0.484SS..PPolyproline II helixtrans-66.2159.4175.500000112.6R78 M82 E83 L84R78-G80 PolarHBondContact O-N 2.97Å; G80-M82 PolarHBondContact O-N 3.45Å; G80-E83 PolarHBondContact N-OE1 2.99Å; G80-E83 PolarHBondContact O-N 3.23Å; G80-L84 PolarHBondContact O-N 3.14Å
81P93.2Very high94.1Very high92 Ų9297.3 Ų97.360%0.59751%0.507SS*.Hα-helixtrans-60-30.3178.924.6-33.8000112.7L84 V85P81-L84 PolarHBondContact O-N 3.46Å; P81-V85 WeakPolarHBondContact O-CG2 3.39Å; P81-V85 PolarHBondContact O-N 3.41Å; P81-V85 VanDerWaalsContact O-N 3.15Å
82M90.1Very high93.4Very high88 Ų8895.8 Ų95.843%0.43350%0.501SS..Hα-helixtrans-71.7-40.5177.2-58.7-79.566.100112.4G80 L84 V85 E86 I100G80-M82 PolarHBondContact O-N 3.45Å; M82-L84 PolarHBondContact O-N 2.9Å; M82-V85 HydrophobicContact CE-CB 4.23Å; M82-V85 HydrophobicContact CE-CG2 3.93Å; M82-V85 WeakPolarHBondContact O-CA 3.33Å; M82-V85 WeakPolarHBondContact O-CB 3.47Å; M82-V85 PolarHBondContact O-N 3.36Å; M82-E86 WeakPolarHBondContact O-CG 3.31Å; M82-E86 PolarHBondContact O-N 2.85Å; M82-I100 HydrophobicContact SD-CG2 4.03Å
83E92.2Very high92.5Very high71 Ų7197.7 Ų97.733%0.33251%0.506SS..Hα-helixtrans-59.5-36.2172-65.2177.3-114.400112.3P79 G80 V85 E86 K87P79-E83 VanDerWaalsContact CA-OE1 3.28Å; P79-E83 WeakPolarHBondContact CA-OE1 3.44Å; P79-E83 HydrophobicContact CB-CB 4.29Å; G80-E83 PolarHBondContact N-OE1 2.99Å; G80-E83 PolarHBondContact O-N 3.23Å; E83-V85 VanDerWaalsContact C-N 3.32Å; E83-E86 PolarHBondContact O-N 2.83Å; E83-K87 VanDerWaalsContact O-CB 3.23Å; E83-K87 WeakPolarHBondContact O-CB 3.29Å; E83-K87 WeakPolarHBondContact O-CD 3.35Å; E83-K87 WeakPolarHBondContact O-CG 3.05Å; E83-K87 PolarHBondContact O-N 2.7Å; E83-K87 IonicContact OE2-NZ 2.82Å; E83-K87 PolarHBondContact OE2-NZ 3.23Å
84L95Very high91.2Very high50 Ų5095.5 Ų95.526%0.26251%0.506SS..Hα-helixtrans-70.7-29.1177.4-63.7174.9000112P79 G80 P81 M82 N88 I89 L90P79-L84 HydrophobicContact CB-CD2 4.21Å; P79-L84 HydrophobicContact CB-CG 4.39Å; G80-L84 PolarHBondContact O-N 3.14Å; P81-L84 PolarHBondContact O-N 3.46Å; M82-L84 PolarHBondContact O-N 2.9Å; L84-N88 PolarHBondContact O-N 2.96Å; L84-I89 HydrophobicContact CB-CB 4.49Å; L84-I89 HydrophobicContact CD2-CB 4.45Å; L84-I89 HydrophobicContact CD2-CD1 3.92Å; L84-I89 WeakPolarHBondContact O-CA 3.3Å; L84-I89 WeakPolarHBondContact O-CB 3.44Å; L84-I89 PolarHBondContact O-N 3.41Å; L84-L90 HydrophobicContact CB-CD1 3.76Å; L84-L90 HydrophobicContact CB-CG 3.85Å; L84-L90 HydrophobicContact CD1-CD1 4.24Å; L84-L90 PolarHBondContact O-N 3.29Å
85V91.1Very high89.6Confident14 Ų1494.4 Ų94.49%0.08551%0.513CS..Hα-helixtrans-72.9-45.7170.1170.10000111P81 M82 E83 K87 N88 L90 V92 K97P81-V85 WeakPolarHBondContact O-CG2 3.39Å; P81-V85 PolarHBondContact O-N 3.41Å; P81-V85 VanDerWaalsContact O-N 3.15Å; M82-V85 HydrophobicContact CE-CB 4.23Å; M82-V85 HydrophobicContact CE-CG2 3.93Å; M82-V85 WeakPolarHBondContact O-CA 3.33Å; M82-V85 WeakPolarHBondContact O-CB 3.47Å; M82-V85 PolarHBondContact O-N 3.36Å; E83-V85 VanDerWaalsContact C-N 3.32Å; V85-K87 VanDerWaalsContact C-N 3.34Å; V85-K87 PolarHBondContact O-N 3.46Å; V85-N88 PolarHBondContact O-N 2.6Å; V85-L90 HydrophobicContact CG2-CB 3.73Å; V85-L90 HydrophobicContact CG2-CD1 4.39Å; V85-V92 HydrophobicContact CB-CG2 4.27Å; V85-V92 HydrophobicContact CG1-CB 3.9Å; V85-V92 HydrophobicContact CG1-CG2 3.61Å; V85-V92 HydrophobicContact CG2-CG2 3.58Å; V85-K97 HydrophobicContact CG1-CD 4.3Å; V85-K97 HydrophobicContact CG1-CG 4.08Å; V85-K97 WeakPolarHBondContact O-CE 3.46Å; V85-K97 PolarHBondContact O-NZ 2.91Å
86E90.6Very high88.2Confident102 Ų10293.1 Ų93.148%0.47751%0.507SS..Hα-helixtrans-54.3-50.9174.7-74.1168.1-166.600111M82 E83 N88 K97 I101M82-E86 WeakPolarHBondContact O-CG 3.31Å; M82-E86 PolarHBondContact O-N 2.85Å; E83-E86 PolarHBondContact O-N 2.83Å; E86-N88 PolarHBondContact O-N 3.31Å; E86-N88 VanDerWaalsContact O-N 3.1Å; E86-N88 PolarHBondContact O-ND2 3.02Å; E86-K97 PolarHBondContact O-NZ 2.9Å; E86-I101 HydrophobicContact CG-CD1 4.37Å
87K92.6Very high86.7Confident116 Ų11691.4 Ų91.450%0.50449%0.485SS..THydrogen-bonded Turntrans-70.63.8177.5-66.2162.7-173.81630113.9E83 V85 I89E83-K87 VanDerWaalsContact O-CB 3.23Å; E83-K87 WeakPolarHBondContact O-CB 3.29Å; E83-K87 WeakPolarHBondContact O-CD 3.35Å; E83-K87 WeakPolarHBondContact O-CG 3.05Å; E83-K87 PolarHBondContact O-N 2.7Å; E83-K87 IonicContact OE2-NZ 2.82Å; E83-K87 PolarHBondContact OE2-NZ 3.23Å; V85-K87 VanDerWaalsContact C-N 3.34Å; V85-K87 PolarHBondContact O-N 3.46Å; K87-I89 HydrophobicContact CB-CD1 4.11Å; K87-I89 HydrophobicContact CB-CG1 4.26Å; K87-I89 PolarHBondContact O-N 3.32Å
88N88Confident85.3Confident124 Ų12490.6 Ų90.666%0.66348%0.482SS*.THydrogen-bonded Turntrans59.925.1178.5-48.3-72.7000114.8L84 V85 E86 K97L84-N88 PolarHBondContact O-N 2.96Å; V85-N88 PolarHBondContact O-N 2.6Å; E86-N88 PolarHBondContact O-N 3.31Å; E86-N88 VanDerWaalsContact O-N 3.1Å; E86-N88 PolarHBondContact O-ND2 3.02Å; N88-K97 PolarHBondContact OD1-NZ 3.5Å
89I92.6Very high83.7Confident115 Ų11582.9 Ų82.959%0.5946%0.459SS*.SBendtrans-85.7-34176-59.6171.3000110.1L84 K87L84-I89 HydrophobicContact CB-CB 4.49Å; L84-I89 HydrophobicContact CD2-CB 4.45Å; L84-I89 HydrophobicContact CD2-CD1 3.92Å; L84-I89 WeakPolarHBondContact O-CA 3.3Å; L84-I89 WeakPolarHBondContact O-CB 3.44Å; L84-I89 PolarHBondContact O-N 3.41Å; K87-I89 HydrophobicContact CB-CD1 4.11Å; K87-I89 HydrophobicContact CB-CG1 4.26Å; K87-I89 PolarHBondContact O-N 3.32Å
90L90.7Very high82.2Confident74 Ų7483.3 Ų83.339%0.38746%0.457SS..SBendtrans-104.2125.1169-66.2178.3000109.7L84 V85L84-L90 HydrophobicContact CB-CD1 3.76Å; L84-L90 HydrophobicContact CB-CG 3.85Å; L84-L90 HydrophobicContact CD1-CD1 4.24Å; L84-L90 PolarHBondContact O-N 3.29Å; V85-L90 HydrophobicContact CG2-CB 3.73Å; V85-L90 HydrophobicContact CG2-CD1 4.39Å
91P85.6Confident80.8Confident126 Ų12686.9 Ų86.982%0.81847%0.469SS*.  trans-74.5136.2178.130.4-34000111.2
92V84.1Confident79.7Confident52 Ų5287.6 Ų87.632%0.31547%0.472SS..  trans-142141.9171.9172.70000107.5V85 S94 L96 K97V85-V92 HydrophobicContact CB-CG2 4.27Å; V85-V92 HydrophobicContact CG1-CB 3.9Å; V85-V92 HydrophobicContact CG1-CG2 3.61Å; V85-V92 HydrophobicContact CG2-CG2 3.58Å; V92-S94 PolarHBondContact O-N 3.27Å; V92-L96 HydrophobicContact CG1-CB 4.07Å; V92-L96 HydrophobicContact CG1-CD2 4.11Å; V92-L96 HydrophobicContact CG1-CG 4.12Å; V92-K97 HydrophobicContact CG1-CB 4.34Å
93E79.2Confident78.2Confident154 Ų15486.1 Ų86.172%0.7248%0.479SS*.  trans-51.9128.1175.5-65-59.715800111.1S95 L96 K97E93-S95 VanDerWaalsContact C-N 3.25Å; E93-S95 PolarHBondContact O-N 3.28Å; E93-S95 VanDerWaalsContact O-N 3.11Å; E93-L96 HydrophobicContact CB-CB 4.42Å; E93-L96 WeakPolarHBondContact O-CA 3.36Å; E93-L96 WeakPolarHBondContact O-CB 3.36Å; E93-L96 PolarHBondContact O-N 3.41Å; E93-K97 PolarHBondContact O-N 3.1Å
94S71.4Confident76.6Confident88 Ų8890.4 Ų90.462%0.61550%0.499SS*.Hα-helixtrans-55.3-39.7-168.1-50.10000113.2V92 L96 K97 E98V92-S94 PolarHBondContact O-N 3.27Å; S94-L96 VanDerWaalsContact C-N 3.33Å; S94-L96 PolarHBondContact O-N 2.8Å; S94-K97 WeakPolarHBondContact O-CB 3.37Å; S94-K97 PolarHBondContact O-N 2.95Å; S94-E98 PolarHBondContact O-N 3.37Å
95S65Low74.5Confident98 Ų9890.5 Ų90.569%0.68550%0.502SS*.Hα-helixtrans-61.9-37.8176.5178.10000112.9E93 A99E93-S95 VanDerWaalsContact C-N 3.25Å; E93-S95 PolarHBondContact O-N 3.28Å; E93-S95 VanDerWaalsContact O-N 3.11Å; S95-A99 WeakPolarHBondContact O-CB 3.31Å; S95-A99 PolarHBondContact O-N 3.33Å
96L67.5Low72.7Confident87 Ų8797 Ų9746%0.45554%0.536SS..Hα-helixtrans-75.9-34.4176.6-17861000111.1V92 E93 S94 A99 I100V92-L96 HydrophobicContact CG1-CB 4.07Å; V92-L96 HydrophobicContact CG1-CD2 4.11Å; V92-L96 HydrophobicContact CG1-CG 4.12Å; E93-L96 HydrophobicContact CB-CB 4.42Å; E93-L96 WeakPolarHBondContact O-CA 3.36Å; E93-L96 WeakPolarHBondContact O-CB 3.36Å; E93-L96 PolarHBondContact O-N 3.41Å; S94-L96 VanDerWaalsContact C-N 3.33Å; S94-L96 PolarHBondContact O-N 2.8Å; L96-A99 PolarHBondContact O-N 3.47Å; L96-I100 HydrophobicContact CD1-CD1 3.94Å; L96-I100 HydrophobicContact CD1-CG1 4.05Å; L96-I100 HydrophobicContact CD2-CD1 4.47Å; L96-I100 HydrophobicContact CG-CD1 3.81Å; L96-I100 HydrophobicContact CG-CG1 4.35Å; L96-I100 WeakPolarHBondContact O-CB 3.48Å; L96-I100 VanDerWaalsContact O-CG1 3.27Å; L96-I100 WeakPolarHBondContact O-CG1 3.44Å; L96-I100 PolarHBondContact O-N 3.1Å
97K65.1Low70.5Confident40 Ų4098.5 Ų98.517%0.17454%0.538CS..Hα-helixtrans-59.9-46.9174.4-167.6-177.6-177.3-173.20111V85 E86 N88 V92 E93 S94 I101V85-K97 HydrophobicContact CG1-CD 4.3Å; V85-K97 HydrophobicContact CG1-CG 4.08Å; V85-K97 WeakPolarHBondContact O-CE 3.46Å; V85-K97 PolarHBondContact O-NZ 2.91Å; E86-K97 PolarHBondContact O-NZ 2.9Å; N88-K97 PolarHBondContact OD1-NZ 3.5Å; V92-K97 HydrophobicContact CG1-CB 4.34Å; E93-K97 PolarHBondContact O-N 3.1Å; S94-K97 WeakPolarHBondContact O-CB 3.37Å; S94-K97 PolarHBondContact O-N 2.95Å; K97-I101 HydrophobicContact CG-CD1 3.98Å; K97-I101 WeakPolarHBondContact O-CD1 3.41Å; K97-I101 VanDerWaalsContact O-CG1 3.27Å; K97-I101 WeakPolarHBondContact O-CG1 3.44Å; K97-I101 PolarHBondContact O-N 3.28Å; K97-I101 VanDerWaalsContact O-N 3.14Å
98E67.1Low68.7Low137 Ų13796.3 Ų96.364%0.6454%0.536SS*.Hα-helixtrans-66.3-45.4175.9-70.8174.6-175.700112S94 I100 I101 V102S94-E98 PolarHBondContact O-N 3.37Å; E98-I100 VanDerWaalsContact C-N 3.31Å; E98-I100 PolarHBondContact O-N 3.09Å; E98-I101 PolarHBondContact O-N 3.23Å; E98-V102 WeakPolarHBondContact O-CB 3.2Å; E98-V102 WeakPolarHBondContact O-CG2 3.13Å; E98-V102 PolarHBondContact O-N 3.39Å
99A63.8Low66.6Low30 Ų3099.5 Ų99.525%0.24854%0.544CS..Hα-helixtrans-61.8-34.8178.900000113.8S95 L96 G103 Q104S95-A99 WeakPolarHBondContact O-CB 3.31Å; S95-A99 PolarHBondContact O-N 3.33Å; L96-A99 PolarHBondContact O-N 3.47Å; A99-G103 PolarHBondContact O-N 2.87Å; A99-Q104 PolarHBondContact O-N 2.86Å
100I65.3Low64.3Low65 Ų6599.5 Ų99.533%0.33355%0.549SS..Hα-helixtrans-70.5-47.6174.5-71170.1000110.7M82 L96 E98 V102 G103 V105M82-I100 HydrophobicContact SD-CG2 4.03Å; L96-I100 HydrophobicContact CD1-CD1 3.94Å; L96-I100 HydrophobicContact CD1-CG1 4.05Å; L96-I100 HydrophobicContact CD2-CD1 4.47Å; L96-I100 HydrophobicContact CG-CD1 3.81Å; L96-I100 HydrophobicContact CG-CG1 4.35Å; L96-I100 WeakPolarHBondContact O-CB 3.48Å; L96-I100 VanDerWaalsContact O-CG1 3.27Å; L96-I100 WeakPolarHBondContact O-CG1 3.44Å; L96-I100 PolarHBondContact O-N 3.1Å; E98-I100 VanDerWaalsContact C-N 3.31Å; E98-I100 PolarHBondContact O-N 3.09Å; I100-V102 VanDerWaalsContact C-N 3.35Å; I100-V102 PolarHBondContact O-N 3.43Å; I100-G103 PolarHBondContact O-N 3.43Å; I100-G103 VanDerWaalsContact O-N 3.11Å; I100-V105 HydrophobicContact CG1-CG1 4.06Å
101I67.3Low62.2Low102 Ų10298.9 Ų98.952%0.52356%0.555SS.*Hα-helixtrans-66-36.2-178.1-69168.9000111.8E86 K97 E98 G103E86-I101 HydrophobicContact CG-CD1 4.37Å; K97-I101 HydrophobicContact CG-CD1 3.98Å; K97-I101 WeakPolarHBondContact O-CD1 3.41Å; K97-I101 VanDerWaalsContact O-CG1 3.27Å; K97-I101 WeakPolarHBondContact O-CG1 3.44Å; K97-I101 PolarHBondContact O-N 3.28Å; K97-I101 VanDerWaalsContact O-N 3.14Å; E98-I101 PolarHBondContact O-N 3.23Å; I101-G103 PolarHBondContact O-N 3.12Å
102V68.4Low60.2Low106 Ų106100.6 Ų100.664%0.64256%0.557SS**THydrogen-bonded Turntrans-81.3-2.4177.2179.60000112.1E98 I100 Q104E98-V102 WeakPolarHBondContact O-CB 3.2Å; E98-V102 WeakPolarHBondContact O-CG2 3.13Å; E98-V102 PolarHBondContact O-N 3.39Å; I100-V102 VanDerWaalsContact C-N 3.35Å; I100-V102 PolarHBondContact O-N 3.43Å; V102-Q104 HydrophobicContact CG1-CB 4.42Å; V102-Q104 PolarHBondContact O-N 2.85Å
103G60.5Low58.4Low58 Ų58103.3 Ų103.360%0.59858%0.578SS**THydrogen-bonded Turntrans68.613.7179.800000114.5A99 I100 I101 V105A99-G103 PolarHBondContact O-N 2.87Å; I100-G103 PolarHBondContact O-N 3.43Å; I100-G103 VanDerWaalsContact O-N 3.11Å; I101-G103 PolarHBondContact O-N 3.12Å; G103-V105 VanDerWaalsContact C-N 3.27Å; G103-V105 PolarHBondContact O-N 2.91Å
104Q57.7Low56.7Low161 Ų161101.5 Ų101.575%0.75258%0.582SS**  trans-92.530.5-172.5-154.3177.281.700113A99 V102 N106A99-Q104 PolarHBondContact O-N 2.86Å; V102-Q104 HydrophobicContact CG1-CB 4.42Å; V102-Q104 PolarHBondContact O-N 2.85Å; Q104-N106 PolarHBondContact O-N 3.23Å
105V50.3Low55.9Low52 Ų52102.5 Ų102.532%0.31559%0.589SS.*  trans-81.598.4173.1-81.50000110.6I100 G103 Y107I100-V105 HydrophobicContact CG1-CG1 4.06Å; G103-V105 VanDerWaalsContact C-N 3.27Å; G103-V105 PolarHBondContact O-N 2.91Å; V105-Y107 HydrophobicContact CB-CD2 4.48Å; V105-Y107 HydrophobicContact CB-CE2 4.06Å; V105-Y107 HydrophobicContact CG2-CD2 4.32Å; V105-Y107 HydrophobicContact CG2-CE2 3.67Å; V105-Y107 VanDerWaalsContact O-CD2 3.31Å; V105-Y107 WeakPolarHBondContact O-CD2 3.33Å; V105-Y107 PolarHBondContact O-N 3.49Å
106N54.4Low54.5Low150 Ų150107.4 Ų107.480%0.80260%0.599SS**  trans-68.396.9174.9-172.1-49.9000110.5Q104Q104-N106 PolarHBondContact O-N 3.23Å
107Y44.1Very low53.8Low133 Ų133109.1 Ų109.152%0.52261%0.608SS.*  trans-76.6121169.2-74.4-87.7000109.6V105 K109 F445V105-Y107 HydrophobicContact CB-CD2 4.48Å; V105-Y107 HydrophobicContact CB-CE2 4.06Å; V105-Y107 HydrophobicContact CG2-CD2 4.32Å; V105-Y107 HydrophobicContact CG2-CE2 3.67Å; V105-Y107 VanDerWaalsContact O-CD2 3.31Å; V105-Y107 WeakPolarHBondContact O-CD2 3.33Å; V105-Y107 PolarHBondContact O-N 3.49Å; Y107-K109 PolarHBondContact O-N 3.26Å; Y107-F445 HydrophobicContact CD1-CB 4.11Å; Y107-F445 HydrophobicContact CE1-CB 4.02Å
108P54.7Low53.2Low70 Ų70115.6 Ų115.646%0.45564%0.639SS.*  trans-67111.3-177.425.3-33.3000110.2V110 K444P108-V110 PolarHBondContact O-N 3.17Å; P108-K444 WeakPolarHBondContact O-CE 3.46Å; P108-K444 PolarHBondContact O-NZ 3.26Å
109K43.4Very low52.1Low192 Ų192115.3 Ų115.384%0.83564%0.642SS**  trans-48.8124.2176.5-168.8177.7-177.6-1760110.8Y107Y107-K109 PolarHBondContact O-N 3.26Å
110V44.2Very low51.4Low115 Ų115119.5 Ų119.570%0.69767%0.67SS**  trans-94.1137.3155.9-1020000107.3P108 K444P108-V110 PolarHBondContact O-N 3.17Å; V110-K444 HydrophobicContact CG1-CD 4.19Å; V110-K444 VanDerWaalsContact CG1-CE 3.45Å
111A46.3Very low50.5Low61 Ų61122.1 Ų122.150%0.50469%0.694SS.*  trans-135.3141.7171.200000108.1
112D45Very low49.2Very low161 Ų161125.3 Ų125.386%0.86171%0.712SS**  trans66.598.3148.7-43-26.9000119.7
113S45.9Very low48.2Very low110 Ų110123.9 Ų123.977%0.76971%0.711SS**  trans-157.9133.7143.6650000110.1
114S43.6Very low47Very low115 Ų115129.6 Ų129.680%0.80473%0.727SS**  trans60.7116.2-16368.10000112.7
115S53.7Low46.2Very low109 Ų109126.6 Ų126.676%0.76272%0.724SS**  cis59.487.818.7-171.70000113.3
116F36.9Very low45.8Very low202 Ų202130.6 Ų130.689%0.88675%0.751SS**  trans-133.6117.6147-172.8-89.5000105.3
117D52.4Low44.7Very low122 Ų122132.4 Ų132.465%0.65276%0.755SS**  trans-93.4-175.4-170.9-117.2-78.9000112
118E52.3Low44.3Very low177 Ų177134.7 Ų134.783%0.82777%0.77SS**  trans-37.9138.5178.8-59.2179.856.900113.7
119D44.6Very low43.8Very low130 Ų130136.9 Ų136.970%0.69578%0.784SS**  -172.3134.662.2169.131.8000112
120S47.8Very low43.2Very low118 Ų118132.7 Ų132.783%0.82579%0.785SS**  trans-17893.6138.6-820000109.4
121S46.4Very low42.7Very low120 Ų120132.6 Ų132.684%0.83979%0.79SS**  trans-84.6123.7169-64.70000111.1
122D39.9Very low42.2Very low169 Ų169138.3 Ų138.390%0.90481%0.806SS**  trans-146.6151.4144.5-156.91.9000110.4
123A48.6Very low41.6Very low76 Ų76138.3 Ų138.363%0.62880%0.801SS**  trans-103.5134.8-162.200000113.4
124L35.2Very low41.2Very low178 Ų178139 Ų13993%0.93281%0.806SS**  trans-140.1100.1143.5-78.2-174.6000109.9
125S39.8Very low41Very low99 Ų99142.7 Ų142.769%0.69281%0.81SS**  trans-63.6154163.9-660000110.7E127S125-E127 PolarHBondContact O-N 3.32Å
126P41.9Very low39.9Very low136 Ų136140.8 Ų140.888%0.88381%0.807SS**  trans-73.290.617930.1-35.2000111.4
127E31.4Very low39.8Very low187 Ų187136.9 Ų136.987%0.87481%0.806SS**  trans-83.8122.2-179-169.4135.5102.500112.9S125S125-E127 PolarHBondContact O-N 3.32Å
128Q36.3Very low39.4Very low182 Ų182137.5 Ų137.585%0.8581%0.813SS**  trans-145.7154.3161.8-74.2-161.88.500109.5
129P43.5Very low38.9Very low116 Ų116134.8 Ų134.875%0.75381%0.811SS**  cis-125.8163.6-29.437.3-24.3000111.8
130A30.5Very low38Very low103 Ų103133.7 Ų133.785%0.85181%0.814SS**  trans-117.3140.5169.300000110.5
131S34.8Very low37.9Very low113 Ų113133.3 Ų133.379%0.7981%0.808SS**  trans-149.2119.7-179-68.70000112.3
132H34.8Very low37.2Very low182 Ų182134.8 Ų134.884%0.84381%0.806SS**  trans-155.3143.6163.4-116.8-109.1000105.3
133E32.6Very low36.7Very low161 Ų161134.6 Ų134.675%0.75280%0.799SS**  cis-147.5138.41059.9-168.272.700113
134S38.8Very low36Very low125 Ų125134.9 Ų134.987%0.87480%0.802SS**  trans-165.3143.5152-84.90000109
135Q38.3Very low35.8Very low191 Ų191137 Ų13789%0.89380%0.798SS**  trans-89.7140.5-162.4-65.2-73.5-22.600113.1
136G31.3Very low35.3Very low69 Ų69137.9 Ų137.971%0.71180%0.799SS**  trans166.164.1171.200000120.4
137S35.3Very low34.6Very low121 Ų121136.9 Ų136.985%0.84680%0.795SS**  trans59.6121.4148.6-56.90000123.6
138V42.6Very low34.5Very low135 Ų135136 Ų13682%0.81879%0.791SS**  trans-37.6170.4154.9-76.50000118.9
139P43.3Very low34.6Very low119 Ų119132.3 Ų132.377%0.77378%0.783SS**  cis-134.5177.20.526.1-1.4000118.1
140S24.9Very low33.9Very low108 Ų108133.3 Ų133.376%0.75578%0.781SS**  trans-64.7-179169.5-24.40000114.8
141P45.4Very low33.8Very low109 Ų109135.3 Ų135.371%0.70878%0.776SS**  cis-158173.448.544.7-22.6000121.8
142L32.4Very low33.5Very low151 Ų151134.9 Ų134.979%0.79177%0.774SS**  trans58.1160.2151.1-91.874.1000120.4
143E30.1Very low33.2Very low165 Ų165130.5 Ų130.577%0.77177%0.769SS**  cis-167.5-172.7-38.1-123.3-156.2110.200111
144A32.5Very low32.9Very low83 Ų83129.3 Ų129.369%0.68677%0.773SS**  trans73.9126.6172.800000117.4
145R30.8Very low32.4Very low222 Ų222128.4 Ų128.484%0.83877%0.767SS**  cis81.9133.436.3-56.6-91.7-80.8-158.1-4.1112.3
146V29.8Very low32Very low117 Ų117124.1 Ų124.171%0.70976%0.764SS**  cis-169170.2-12.61030000110
147S27.6Very low32Very low116 Ų116126.3 Ų126.381%0.81177%0.768SS**  trans87.6138.1162.6-71.20000123.6
148E29.8Very low32.5Very low168 Ų168126.1 Ų126.179%0.78576%0.764SS**  trans-73.7-176.9156-107-172.795.600112
149P38.2Very low32Very low104 Ų104125.4 Ų125.468%0.67576%0.76SS**  cis-149.4172.227.143.7-22.4000120.4
150L27.3Very low31.5Very low138 Ų138127.5 Ų127.572%0.72376%0.759SS**  trans47.4130.1138.8-65.2170.8000125.9
151L29.7Very low31.7Very low144 Ų144128.1 Ų128.175%0.75476%0.759SS**  trans75.6111.6133.4-65.4169.6000124.9
152S27.4Very low30.8Very low105 Ų105128.7 Ų128.773%0.73476%0.76SS**  60.1109.7120.8-57.70000125.5
153A28.8Very low30.7Very low89 Ų89125.6 Ų125.674%0.73675%0.751SS**  89.7137.5119.500000124.4
154T27.8Very low30.7Very low136 Ų136125.4 Ų125.483%0.83475%0.75SS**  trans71.2124158.230000118.3
155S28Very low30.3Very low107 Ų107128.8 Ų128.875%0.74876%0.756SS**  170.8160.365.249.50000114.3
156A29.8Very low30.5Very low101 Ų101123.1 Ų123.184%0.83575%0.747SS**  trans62.8158.9149.200000123.7
157S31.3Very low30.3Very low114 Ų114126.8 Ų126.880%0.79776%0.759SS**  trans-132.3169.5-178-43.40000111.8
158P44.3Very low30.1Very low117 Ų117125 Ų12576%0.7676%0.76SS**  -143.5133.5124.328.1-9.3000114.3
159T32.1Very low30Very low120 Ų120128.9 Ų128.974%0.73677%0.767SS**  82.3126.885.2-49.70000113.3
160Q32.9Very low29.4Very low163 Ų163130.7 Ų130.776%0.76277%0.771SS**  -172.9142.490.6-72.6-95.810.400113.3
161V29Very low29.5Very low122 Ų122129.4 Ų129.474%0.73977%0.774SS**  trans65.6132.9135.4167.20000120.2
162V27.1Very low29.5Very low120 Ų120132.6 Ų132.673%0.72778%0.776SS**  cis-167.1152.4-3.3102.90000114.6
163S30.7Very low29.7Very low86 Ų86133.8 Ų133.860%0.60177%0.77SS**  trans39.5155.9151.2-55.50000125.4
164Q29Very low29.7Very low162 Ų162136.7 Ų136.776%0.75777%0.77SS**  cis-172.2140.7-17-105.217479.300112.3
165L24.2Very low29.8Very low154 Ų154137.3 Ų137.381%0.80677%0.767SS**  trans48.3173147.2-10165.5000122.6
166P36.8Very low29.9Very low102 Ų102140.4 Ų140.466%0.66277%0.768SS**  cis-135.7165.9-22.436.9-18.5000117.4
167M24.9Very low29.8Very low194 Ų194143.2 Ų143.296%0.95677%0.768SS**  trans35.8122.6145.2-61.8176.9172.300124.5
168G23.9Very low29.7Very low80 Ų80141.9 Ų141.983%0.82576%0.764SS**  114.3128109.500000123.9
169R26.9Very low28.7Very low248 Ų248145.1 Ų145.194%0.93677%0.769SS**  trans82.3162139.6-153.2163.3-174.6149.63.3122.1
170D26.3Very low28.7Very low142 Ų142148.3 Ų148.376%0.75978%0.775SS**  trans-61.3176.7-173.7-87.4-77.2000120.5
171S28.9Very low29.9Very low112 Ų112146.3 Ų146.378%0.78378%0.776SS**  trans85.3140.7169.6-650000115.7
172R28.6Very low31Very low210 Ų210146.2 Ų146.279%0.79278%0.778SS**  cis99106.428.3-172-169.1175.8-158.6-8.3113.3
173E32Very low31.2Very low130 Ų130148.5 Ų148.561%0.60779%0.786SS**  trans51.9135.2149.6-61.2-176.8116.700123.3
174M29.6Very low32.2Very low150 Ų150150 Ų15074%0.73979%0.794SS**  trans90.9152.3140.1-83-176.9-172.800123.4
175L29.5Very low33.4Very low150 Ų150147.7 Ų147.779%0.78579%0.792SS**  trans99.5137.5162.8-53.3-171.7000119.1
176F29.3Very low34.8Very low172 Ų172146 Ų14675%0.75479%0.791SS**  cis-169.8-168.2-32.2-139.9-111.4000111.8
177L28.6Very low35.3Very low159 Ų159146.6 Ų146.683%0.83280%0.795SS**  trans81.4133.9176.9-81.566.2000115.7
178A29.3Very low35.5Very low87 Ų87144.8 Ų144.872%0.71979%0.788SS**  cis-146.4-169.43.100000110
179E23.4Very low35.8Very low185 Ų185148.6 Ų148.686%0.86479%0.789SS**  cis-147.2-114.97-160170.179.700113.2
180Q31.4Very low37.3Very low186 Ų186142.1 Ų142.187%0.86978%0.778SS**  trans-130.4135-169.6-84.4-163.8-12.500117.3
181P58.4Low38.1Very low121 Ų121141.1 Ų141.179%0.78678%0.78SS**  trans-124.4164-179.842.7-32.6000117.6
182P52.5Low37.9Very low120 Ų120140.4 Ų140.478%0.77978%0.775SS**  trans-114.8174.4175.541.3-33.3000116.7
183L30.9Very low37.9Very low169 Ų169138.4 Ų138.489%0.88578%0.779SS**  trans-150.5178.9176.8-68.2178.4000109.4
184P52Low37.8Very low118 Ų118138.4 Ų138.477%0.76679%0.788SS**  cis-121.5-135.32.636.2-11.8000110.3
185P53.6Low37.8Very low113 Ų113139.2 Ų139.273%0.73480%0.795SS**  cis-134.4-177.3-11.242.7-23.5000117.3
186P54.7Low37.9Very low118 Ų118135.4 Ų135.477%0.76679%0.792SS**  trans-121.5175-176.745.1-33.5000115
187P47.1Very low38Very low115 Ų115133.5 Ų133.575%0.74780%0.795SS**  -161.2158.685.942-20.3000121.4
188L28.7Very low38.1Very low155 Ų155132.6 Ų132.681%0.81280%0.796SS**  trans49.7123.4136.5-60171000127.9
189L30.7Very low38.4Very low161 Ų161135.8 Ų135.884%0.84380%0.799SS**  57.4162.5128.2-66.1-179000125.7
190P57.7Low39.3Very low111 Ų111132.3 Ų132.372%0.72179%0.793SS**  trans-125.5168-158.944.6-33.2000120.1
191P43.1Very low39.1Very low122 Ų122129.7 Ų129.779%0.79279%0.79SS**  trans-132.2-177.8158.740.8-26.7000114.3
192S24.6Very low37.8Very low97 Ų97128.7 Ų128.768%0.67879%0.792SS**  cis-175141.2-40.965.90000113.5
193L29.6Very low36.9Very low167 Ų167132.8 Ų132.887%0.87480%0.797SS**  trans69.9164.5163.3-49.8169.9000117.7
194T29.4Very low36.7Very low131 Ų131130.6 Ų130.680%0.80480%0.796SS**  cis-143.2173.814.653.20000115.1
195N29Very low35.8Very low167 Ų167131 Ų13189%0.89380%0.797SS**  trans-55.8167.7171.4-53.9-27000115.6
196G31.8Very low35.4Very low69 Ų69131.6 Ų131.671%0.71180%0.801SS**  cis166.1176.4-5.200000115.4
197T31.9Very low34.4Very low132 Ų132132.1 Ų132.181%0.8180%0.802SS**  trans20.8123.3161.3-47.90000122.8
198T31.4Very low33.8Very low140 Ų140134 Ų13486%0.85980%0.804SS**  -176.6164.8124.1210000114.8
199I34.1Very low34.1Very low154 Ų154133.8 Ų133.879%0.7980%0.803SS**  trans-132.1133.7178.4-65.2164.3000105.5
200P43.2Very low34.3Very low112 Ų112133.9 Ų133.973%0.72780%0.796SS**  -162.7158.789.142.1-19.9000121.3
201T27.6Very low33.1Very low132 Ų132136 Ų13681%0.8180%0.796SS**  trans13.7131.5131.7-42.50000122
202A29.8Very low32.6Very low100 Ų100135.3 Ų135.383%0.82680%0.795SS**  175.5165.7125.100000115
203K34.5Very low32.7Very low205 Ų205138.9 Ų138.989%0.89180%0.801SS**  trans-118156.3-174.9-40158.5-176.6171.20111.1
204S26.4Very low33.2Very low123 Ų123136.8 Ų136.886%0.8680%0.797SS**  trans178.8150132.852.30000116
205T32Very low33.6Very low127 Ų127139.9 Ų139.978%0.77980%0.799SS**  trans-92.1169.4167.654.20000111.8
206P46.5Very low33.7Very low126 Ų126137.3 Ų137.382%0.81880%0.795SS**  -152.9-138.687.641-18.6000115.8
207T33.7Very low33.5Very low129 Ų129138.6 Ų138.679%0.79180%0.798SS**  trans-150.3172.5-140.1-280000115.9
208L34.8Very low33.2Very low153 Ų153136.7 Ų136.780%0.80179%0.791SS**  trans106.8151.3137-114.5172.9000121.8
209I33.7Very low33.1Very low151 Ų151137 Ų13777%0.77478%0.782SS**  trans88147.9162.4-58.7169.3000118.6
210K35.6Very low33Very low163 Ų163137.4 Ų137.471%0.70978%0.778SS**  cis179.9151-39.8-162.8-170.8174.3-151.90111.4
211Q33.4Very low32.5Very low155 Ų155137.2 Ų137.272%0.72478%0.78SS**  trans68.3158.9162.3-88.8168.4-84.400118
212S31.5Very low32.8Very low109 Ų109137.9 Ų137.976%0.76277%0.774SS**  cis-157.6174.3-2.436.30000114.4
213Q27.4Very low33Very low172 Ų172143.6 Ų143.680%0.80477%0.774SS**  trans-72.5178.8179.3-102.5-171.139.600115.6
214P40Very low33.3Very low123 Ų123138.1 Ų138.180%0.79976%0.762SS**  cis-146-158.134.943.7-20.8000118.5
215K36.7Very low34.3Very low195 Ų195141.9 Ų141.985%0.84876%0.762SS**  trans-117.7161-170.4-60.6177.3175.6-179.90115.8
216S31.6Very low34.6Very low113 Ų113145.4 Ų145.479%0.7977%0.767SS**  trans-148148.7147.245.70000108.5
217A28.7Very low34.2Very low96 Ų96143.6 Ų143.679%0.79376%0.763SS**  cis82.613232.700000113.2
218S24.4Very low34.8Very low93 Ų93147.1 Ų147.165%0.6577%0.767SS**  cis-163.3167.73.7-173.20000111.4
219E28.6Very low34.8Very low146 Ų146146.4 Ų146.468%0.68276%0.76SS**  trans72.5157144.9-107.5172.890.900119.5
220K32.7Very low35.6Very low162 Ų162147.3 Ų147.370%0.70477%0.765SS**  cis-148.2149.112.1-52.1175.8-169.3-85.90112.6
221S33Very low36.1Very low109 Ų109146.9 Ų146.976%0.76276%0.763SS**  trans51.4149.4137-69.70000123.9
222Q32.8Very low36.9Very low146 Ų146145.5 Ų145.568%0.68277%0.768SS**  cis-174.6143.6-6.5163.6175.43.300113.3
223R34.6Very low37.5Very low220 Ų220149.7 Ų149.783%0.8377%0.772SS**  trans70.6149.4165.7-90.5176-179.8165.70.5117.6
224S41.2Very low38.7Very low90 Ų90147.9 Ų147.963%0.62977%0.772SS**  cis-156.7148.46.651.70000115.2
225K48.1Very low39.9Very low201 Ų201151.1 Ų151.187%0.87477%0.774SS**  trans50.8136.4144.5-60167-177.2177.80117.8
226K37.6Very low41.2Very low201 Ų201151.2 Ų151.287%0.87478%0.775SS**  cis-167.3153.613124.1-124.9173.8-1730107.9
227A37.8Very low42.6Very low89 Ų89153.5 Ų153.574%0.73678%0.777SS**  cis-177.5162.2-18.100000110.4
228K46.5Very low44.3Very low203 Ų203157.7 Ų157.788%0.88378%0.777SS**  trans88.6104151.3-153166.4-171.1172.70119.6
229E35.4Very low46Very low138 Ų138163.8 Ų163.865%0.64579%0.787SS**  trans-50.1139.9165.6178.2-170-167.600114.7K231E229-K231 HydrophobicContact CG-CG 4.21Å; E229-K231 WeakPolarHBondContact OE1-CE 3.41Å; E229-K231 VanDerWaalsContact OE1-CG 3.23Å; E229-K231 WeakPolarHBondContact OE1-CG 3.28Å; E229-K231 IonicContact OE1-NZ 3.89Å
230L49.3Very low47.9Very low170 Ų170165.6 Ų165.689%0.8980%0.796SS**  trans-128113.9156.8-74.9178.6000109.5
231K46.7Very low49.3Very low154 Ų154166.3 Ų166.367%0.6780%0.801SS**  trans-67.2142.3-178.3-65.8-173173.7-175.40112E229 K233E229-K231 HydrophobicContact CG-CG 4.21Å; E229-K231 WeakPolarHBondContact OE1-CE 3.41Å; E229-K231 VanDerWaalsContact OE1-CG 3.23Å; E229-K231 WeakPolarHBondContact OE1-CG 3.28Å; E229-K231 IonicContact OE1-NZ 3.89Å; K231-K233 PolarHBondContact O-N 3.31Å
232P50.5Low50.6Low125 Ų125169.8 Ų169.881%0.81280%0.799SS**  trans-61112.5171.625.9-33.5000109.7V234P232-V234 PolarHBondContact O-N 2.85Å
233K44.6Very low51.8Low197 Ų197169.3 Ų169.386%0.85780%0.8SS**  trans-88.694.9-167.8-143.3160.3-172171.70109.7K231 K235K231-K233 PolarHBondContact O-N 3.31Å; K233-K235 PolarHBondContact O-N 3.46Å
234V52.8Low52.9Low134 Ų134162.6 Ų162.681%0.81279%0.785SS**  trans-54.5106.5177.5-1790000109.6P232 K236P232-V234 PolarHBondContact O-N 2.85Å; V234-K236 PolarHBondContact O-N 2.87Å; V234-K236 VanDerWaalsContact O-N 3.1Å
235K63.7Low53.5Low192 Ų192163 Ų16384%0.83579%0.785SS**  trans-68.9106172.9-68.6179.3-179175.30107.4K233 L237K233-K235 PolarHBondContact O-N 3.46Å; K235-L237 PolarHBondContact O-N 3.45Å; K235-L237 VanDerWaalsContact O-N 3.08Å
236K65.4Low53.7Low197 Ų197160.8 Ų160.886%0.85778%0.783SS**  trans-56.4117171.5-71.8-171.6176-174.20108.2V234 K238V234-K236 PolarHBondContact O-N 2.87Å; V234-K236 VanDerWaalsContact O-N 3.1Å; K236-K238 PolarHBondContact O-N 3.48Å
237L60.4Low54.6Low160 Ų160159.4 Ų159.484%0.83878%0.78SS**  trans-56.4113.4171.3-74.3164.4000107.8K235 Y239K235-L237 PolarHBondContact O-N 3.45Å; K235-L237 VanDerWaalsContact O-N 3.08Å; L237-Y239 PolarHBondContact O-N 2.83Å
238K64.3Low54.9Low184 Ų184164.6 Ų164.680%0.879%0.786SS**  trans-81.9106.5179.7-159.4172.7-174.1-178.50106.3K236 H240K236-K238 PolarHBondContact O-N 3.48Å; K238-H240 PolarHBondContact O-CD2 3Å; K238-H240 PolarHBondContact O-N 2.61Å
239Y59.2Low54.9Low221 Ų221164.4 Ų164.487%0.86779%0.788SS**  trans-55.5110.7177.5-70-85.7000109.2L237 Q241L237-Y239 PolarHBondContact O-N 2.83Å; Y239-Q241 VanDerWaalsContact C-N 3.3Å; Y239-Q241 PolarHBondContact O-N 2.94Å
240H69.3Low55.1Low184 Ų184163.3 Ų163.385%0.85279%0.787SS**  trans-71.495166.1-78.5-91.8000106.8K238 Y242K238-H240 PolarHBondContact O-CD2 3Å; K238-H240 PolarHBondContact O-N 2.61Å; H240-Y242 PolarHBondContact O-N 3.18Å
241Q62.2Low54.6Low177 Ų177165.4 Ų165.483%0.82778%0.782SS**  trans-58.8120.7174.5-171.1165.716.600108.1Y239 I243Y239-Q241 VanDerWaalsContact C-N 3.3Å; Y239-Q241 PolarHBondContact O-N 2.94Å; Q241-I243 PolarHBondContact O-N 3.27Å; Q241-I243 VanDerWaalsContact O-N 3.14Å
242Y59.7Low54.4Low182 Ų182161.8 Ų161.871%0.71479%0.789SS**  trans-65.9113.9-174.7-179.7-96.1000109.9H240 P244H240-Y242 PolarHBondContact O-N 3.18Å; Y242-P244 HydrophobicContact CD1-CG 4.5Å; Y242-P244 HydrophobicContact CE1-CB 4.44Å; Y242-P244 HydrophobicContact CE1-CG 4.41Å
243I58.9Low54.1Low137 Ų137160.2 Ų160.270%0.70379%0.786SS**  trans-89.7119.5170.8-61.2170000106.2Q241Q241-I243 PolarHBondContact O-N 3.27Å; Q241-I243 VanDerWaalsContact O-N 3.14Å
244P56.3Low54.3Low78 Ų78155 Ų15551%0.50677%0.773SS.*  trans-58148.5178.6-2635.8000112.8Y242 D246Y242-P244 HydrophobicContact CD1-CG 4.5Å; Y242-P244 HydrophobicContact CE1-CB 4.44Å; Y242-P244 HydrophobicContact CE1-CG 4.41Å; P244-D246 PolarHBondContact O-N 2.76Å
245P55Low54.5Low98 Ų98154.7 Ų154.764%0.63677%0.774SS**G310 helixtrans-72.1-8.2-169.528.2-35.5000115.5Q247P245-Q247 PolarHBondContact O-N 3.42Å
246D51.8Low53.9Low156 Ų156151.1 Ų151.183%0.83476%0.761SS**G310 helixtrans-75.111.3-172.5-68-39.1000115.7P244P244-D246 PolarHBondContact O-N 2.76Å
247Q56.2Low53.5Low171 Ų171146.2 Ų146.280%0.79975%0.745SS**G310 helixtrans-128.735-172.4-146.2168.375.900114.8P245P245-Q247 PolarHBondContact O-N 3.42Å
248K45.3Very low54.2Low199 Ų199142.2 Ų142.287%0.86573%0.73SS**  trans-129.865.1171.4-73.8-66.5-175179.40112.3D250K248-D250 PolarHBondContact O-N 3.1Å
249Q46.3Very low55Low198 Ų198137.6 Ų137.693%0.92572%0.721SS**  trans-80.4101.2170.3179.3-176.2-7.500111
250D39.9Very low56.3Low116 Ų116133.5 Ų133.562%0.6270%0.704SS**  trans177.8161.3133-176.340.4000110.3K248K248-D250 PolarHBondContact O-N 3.1Å
251R38.7Very low57.2Low213 Ų213127.1 Ų127.180%0.80468%0.684SS**SBendtrans71.2112.8-169.6-53.4-52-161.5-124.310.8111.9
252G41.7Very low58.5Low78 Ų78124.6 Ų124.680%0.80467%0.67SS**PPolyproline II helixtrans-62.3146.1-170.400000113.2
253A44.2Very low60.1Low92 Ų92119.7 Ų119.776%0.7666%0.655SS**PPolyproline II helixtrans-57.2139.3169.400000110
254P49.9Very low61.8Low89 Ų89117.6 Ų117.658%0.57865%0.645SS**PPolyproline II helixtrans-58.4146.4169.127.1-34000109.4M256P254-M256 PolarHBondContact O-N 2.92Å
255P55.6Low63.5Low127 Ų127120 Ų12083%0.82565%0.65SS**  trans-6499.4176.826.7-33.5000109D257P255-D257 PolarHBondContact O-N 3.42Å
256M51.5Low65.3Low117 Ų117121.5 Ų121.558%0.57665%0.648SS**  trans-43.5124.2-162.7-91.4-59.2-48.600113.5P254 S258 Y260P254-M256 PolarHBondContact O-N 2.92Å; M256-S258 PolarHBondContact O-N 3.19Å; M256-Y260 HydrophobicContact CE-CD1 3.7Å; M256-Y260 HydrophobicContact CE-CE1 4.5Å; M256-Y260 HydrophobicContact CE-CG 4.2Å
257D57.4Low67.2Low94 Ų94120 Ų12050%0.50364%0.636SS.*  trans-43.3125.3-168.9-50.5-23.5000112.7P255 S259 Y260 A261P255-D257 PolarHBondContact O-N 3.42Å; D257-S259 PolarHBondContact O-N 3.06Å; D257-Y260 PolarHBondContact O-N 3.31Å; D257-A261 PolarHBondContact O-N 3.13Å
258S74.3Confident69Low75 Ų75118.7 Ų118.752%0.52463%0.63SS.*Hα-helixtrans-56.8-26.1-178-168.80000112.5M256 K262M256-S258 PolarHBondContact O-N 3.19Å; S258-K262 WeakPolarHBondContact O-CB 3.48Å; S258-K262 WeakPolarHBondContact O-CD 3.42Å; S258-K262 WeakPolarHBondContact O-CG 3.44Å; S258-K262 PolarHBondContact O-N 2.86Å
259S82.4Confident71.3Confident87 Ų87115.2 Ų115.261%0.60862%0.62SS**Hα-helixtrans-66.1-49.9171.951.20000112.8D257 K262 I263D257-S259 PolarHBondContact O-N 3.06Å; S259-K262 PolarHBondContact O-N 2.73Å; S259-I263 PolarHBondContact O-N 3.29Å
260Y85.8Confident73.6Confident135 Ų135112.4 Ų112.453%0.52961%0.605SS.*Hα-helixtrans-71.2-38.1179.1-169.3-96.2000111.7M256 D257 K262 I263 L264M256-Y260 HydrophobicContact CE-CD1 3.7Å; M256-Y260 HydrophobicContact CE-CE1 4.5Å; M256-Y260 HydrophobicContact CE-CG 4.2Å; D257-Y260 PolarHBondContact O-N 3.31Å; Y260-K262 VanDerWaalsContact C-N 3.3Å; Y260-K262 PolarHBondContact O-N 3.14Å; Y260-I263 HydrophobicContact CD2-CG2 4.04Å; Y260-I263 HydrophobicContact CE2-CG2 4.41Å; Y260-I263 WeakPolarHBondContact O-CG2 3.38Å; Y260-I263 PolarHBondContact O-N 3.1Å; Y260-L264 WeakPolarHBondContact O-CB 3.2Å; Y260-L264 PolarHBondContact O-N 2.79Å
261A88.3Confident76.3Confident50 Ų50111.2 Ų111.241%0.41360%0.598SS.*Hα-helixtrans-58-42.9170.500000111.5D257 Q265D257-A261 PolarHBondContact O-N 3.13Å; A261-Q265 VanDerWaalsContact O-CB 3.29Å; A261-Q265 WeakPolarHBondContact O-CB 3.44Å; A261-Q265 PolarHBondContact O-N 2.81Å
262K88.8Confident78.8Confident125 Ų125106.1 Ų106.154%0.54358%0.584SS.*Hα-helixtrans-70-36.4175.5-77.4169.3-176.91700113.7S258 S259 Y260 Q265 Q266S258-K262 WeakPolarHBondContact O-CB 3.48Å; S258-K262 WeakPolarHBondContact O-CD 3.42Å; S258-K262 WeakPolarHBondContact O-CG 3.44Å; S258-K262 PolarHBondContact O-N 2.86Å; S259-K262 PolarHBondContact O-N 2.73Å; Y260-K262 VanDerWaalsContact C-N 3.3Å; Y260-K262 PolarHBondContact O-N 3.14Å; K262-Q265 PolarHBondContact O-N 3.41Å; K262-Q266 VanDerWaalsContact O-CB 3.26Å; K262-Q266 WeakPolarHBondContact O-CB 3.24Å; K262-Q266 PolarHBondContact O-N 2.74Å
263I94.1Very high81.1Confident78 Ų78108 Ų10840%0.457%0.574SS.*Hα-helixtrans-70.5-35.4177.9-145.471.9000111.4S259 Y260 Q266 Q267S259-I263 PolarHBondContact O-N 3.29Å; Y260-I263 HydrophobicContact CD2-CG2 4.04Å; Y260-I263 HydrophobicContact CE2-CG2 4.41Å; Y260-I263 WeakPolarHBondContact O-CG2 3.38Å; Y260-I263 PolarHBondContact O-N 3.1Å; I263-Q266 PolarHBondContact O-N 3.25Å; I263-Q267 PolarHBondContact O-N 3.1Å
264L93.6Very high83.3Confident94 Ų94108.9 Ų108.949%0.49256%0.563SS.*Hα-helixtrans-69.1-42.9173.1-172.463.3000111.2Y260 Q266 Q267 Q268Y260-L264 WeakPolarHBondContact O-CB 3.2Å; Y260-L264 PolarHBondContact O-N 2.79Å; L264-Q266 VanDerWaalsContact C-N 3.33Å; L264-Q266 PolarHBondContact O-N 3.24Å; L264-Q267 PolarHBondContact O-N 3.44Å; L264-Q268 WeakPolarHBondContact O-CB 3.47Å; L264-Q268 PolarHBondContact O-N 2.92Å
265Q92.1Very high85.3Confident128 Ų128107.9 Ų107.960%0.59855%0.552SS**Hα-helixtrans-59.4-42.6171.8-173.3-176.627.300111.6A261 K262 Q268 L269A261-Q265 VanDerWaalsContact O-CB 3.29Å; A261-Q265 WeakPolarHBondContact O-CB 3.44Å; A261-Q265 PolarHBondContact O-N 2.81Å; K262-Q265 PolarHBondContact O-N 3.41Å; Q265-Q268 PolarHBondContact O-N 3.42Å; Q265-L269 WeakPolarHBondContact O-CB 3.49Å; Q265-L269 PolarHBondContact O-N 3.49Å
266Q92.6Very high86.9Confident129 Ų129106.7 Ų106.760%0.60354%0.538SS*.Hα-helixtrans-64.6-45178.2-176.9-179.583.900111.7K262 I263 L264 Q268 L269 F270K262-Q266 VanDerWaalsContact O-CB 3.26Å; K262-Q266 WeakPolarHBondContact O-CB 3.24Å; K262-Q266 PolarHBondContact O-N 2.74Å; I263-Q266 PolarHBondContact O-N 3.25Å; L264-Q266 VanDerWaalsContact C-N 3.33Å; L264-Q266 PolarHBondContact O-N 3.24Å; Q266-Q268 VanDerWaalsContact C-N 3.34Å; Q266-Q268 PolarHBondContact O-N 3.11Å; Q266-L269 PolarHBondContact O-N 3.36Å; Q266-F270 WeakPolarHBondContact O-CB 3.26Å; Q266-F270 PolarHBondContact O-N 3.27Å
267Q92.3Very high88.5Confident125 Ų125105.3 Ų105.358%0.58453%0.533SS*.Hα-helixtrans-60.6-42.9173.3-79.5-172.160.400112I263 L264 F270 L271I263-Q267 PolarHBondContact O-N 3.1Å; L264-Q267 PolarHBondContact O-N 3.44Å; Q267-F270 PolarHBondContact O-N 2.89Å; Q267-L271 WeakPolarHBondContact O-CB 3.33Å; Q267-L271 PolarHBondContact O-N 2.71Å
268Q93.4Very high89.9Confident143 Ų143107.4 Ų107.467%0.66854%0.54SS*.Hα-helixtrans-66.4-37.7178.7-171.316176.500112L264 Q265 Q266 Q272L264-Q268 WeakPolarHBondContact O-CB 3.47Å; L264-Q268 PolarHBondContact O-N 2.92Å; Q265-Q268 PolarHBondContact O-N 3.42Å; Q266-Q268 VanDerWaalsContact C-N 3.34Å; Q266-Q268 PolarHBondContact O-N 3.11Å; Q268-Q272 VanDerWaalsContact O-CB 3.28Å; Q268-Q272 WeakPolarHBondContact O-CB 3.46Å; Q268-Q272 PolarHBondContact O-N 3.48Å
269L93.9Very high90.1Very high126 Ų126108.6 Ų108.666%0.6654%0.537SS*.Hα-helixtrans-69.2-39175-150.576.9000112.2Q265 Q266 Q272 L273Q265-L269 WeakPolarHBondContact O-CB 3.49Å; Q265-L269 PolarHBondContact O-N 3.49Å; Q266-L269 PolarHBondContact O-N 3.36Å; L269-Q272 PolarHBondContact O-N 3.03Å; L269-L273 WeakPolarHBondContact O-CB 3.5Å; L269-L273 PolarHBondContact O-N 2.9Å
270F95.3Very high89.6Confident139 Ų139109.5 Ų109.561%0.6153%0.532SS*.Hα-helixtrans-62.9-47.6174.1177.2-94.2000111.5Q266 Q267 Q272 L273 Q274Q266-F270 WeakPolarHBondContact O-CB 3.26Å; Q266-F270 PolarHBondContact O-N 3.27Å; Q267-F270 PolarHBondContact O-N 2.89Å; F270-Q272 VanDerWaalsContact C-N 3.34Å; F270-Q272 PolarHBondContact O-N 3.22Å; F270-L273 PolarHBondContact O-N 3.11Å; F270-Q274 WeakPolarHBondContact O-CB 3.37Å; F270-Q274 PolarHBondContact O-N 3.06Å
271L95.9Very high88.6Confident92 Ų92109.1 Ų109.148%0.48254%0.535SS..Hα-helixtrans-61.9-41.8175.8-177.363.1000111.4Q267 L273 Q274 I275Q267-L271 WeakPolarHBondContact O-CB 3.33Å; Q267-L271 PolarHBondContact O-N 2.71Å; L271-L273 VanDerWaalsContact C-N 3.32Å; L271-L273 PolarHBondContact O-N 3.14Å; L271-Q274 PolarHBondContact O-N 3.21Å; L271-I275 HydrophobicContact CD1-CD1 4.4Å; L271-I275 HydrophobicContact CG-CD1 4.07Å; L271-I275 VanDerWaalsContact O-CG1 3.3Å; L271-I275 WeakPolarHBondContact O-CG1 3.43Å; L271-I275 PolarHBondContact O-N 3.48Å
272Q92.4Very high87.1Confident106 Ų106111.8 Ų111.850%0.49554%0.539SS..Hα-helixtrans-61.4-40.2176.4-173.661.583.800112.1Q268 L269 F270 L276Q268-Q272 VanDerWaalsContact O-CB 3.28Å; Q268-Q272 WeakPolarHBondContact O-CB 3.46Å; Q268-Q272 PolarHBondContact O-N 3.48Å; L269-Q272 PolarHBondContact O-N 3.03Å; F270-Q272 VanDerWaalsContact C-N 3.34Å; F270-Q272 PolarHBondContact O-N 3.22Å; Q272-L276 WeakPolarHBondContact O-CB 3.24Å; Q272-L276 PolarHBondContact O-N 2.88Å
273L90.3Very high85.4Confident116 Ų116112 Ų11261%0.60754%0.541SS*.Hα-helixtrans-69.2-39175.3-175.264.9000112.1L269 F270 L271 L276 N277L269-L273 WeakPolarHBondContact O-CB 3.5Å; L269-L273 PolarHBondContact O-N 2.9Å; F270-L273 PolarHBondContact O-N 3.11Å; L271-L273 VanDerWaalsContact C-N 3.32Å; L271-L273 PolarHBondContact O-N 3.14Å; L273-L276 PolarHBondContact O-N 3.43Å; L273-N277 WeakPolarHBondContact O-CB 3.25Å; L273-N277 PolarHBondContact O-N 3.16Å
274Q89.8Confident83.4Confident111 Ų111114.2 Ų114.252%0.51955%0.55SS..Hα-helixtrans-62.7-42.6176.2-168.8177.33300111.5F270 L271 Q278F270-Q274 WeakPolarHBondContact O-CB 3.37Å; F270-Q274 PolarHBondContact O-N 3.06Å; L271-Q274 PolarHBondContact O-N 3.21Å; Q274-Q278 WeakPolarHBondContact O-CB 3.36Å; Q274-Q278 PolarHBondContact O-N 2.76Å
275I92.4Very high81.2Confident68 Ų68115 Ų11535%0.34955%0.554SS.*Hα-helixtrans-62.7-44.8173-67.9163.8000110.7L271 N277 Q278 Q279L271-I275 HydrophobicContact CD1-CD1 4.4Å; L271-I275 HydrophobicContact CG-CD1 4.07Å; L271-I275 VanDerWaalsContact O-CG1 3.3Å; L271-I275 WeakPolarHBondContact O-CG1 3.43Å; L271-I275 PolarHBondContact O-N 3.48Å; I275-N277 PolarHBondContact O-N 2.76Å; I275-Q278 PolarHBondContact O-N 2.7Å; I275-Q279 WeakPolarHBondContact O-CG 3.25Å; I275-Q279 PolarHBondContact O-N 3.14Å
276L88.4Confident78.9Confident103 Ų103116.7 Ų116.754%0.53956%0.557SS.*Hα-helixtrans-65-40.1-179.4-143.278.1000112.2Q272 L273 Q279 Q280Q272-L276 WeakPolarHBondContact O-CB 3.24Å; Q272-L276 PolarHBondContact O-N 2.88Å; L273-L276 PolarHBondContact O-N 3.43Å; L276-Q279 PolarHBondContact O-N 3.43Å; L276-Q280 WeakPolarHBondContact O-CB 3.42Å; L276-Q280 PolarHBondContact O-N 3.05Å
277N86.1Confident76.7Confident88 Ų88118 Ų11847%0.47156%0.563SS.*Hα-helixtrans-67.4-39.4176.8-171.1-103.4000111.8L273 I275 Q280 Q281L273-N277 WeakPolarHBondContact O-CB 3.25Å; L273-N277 PolarHBondContact O-N 3.16Å; I275-N277 PolarHBondContact O-N 2.76Å; N277-Q280 PolarHBondContact O-N 3.32Å; N277-Q281 WeakPolarHBondContact O-CG 3.47Å; N277-Q281 PolarHBondContact O-N 3Å; N277-Q281 VanDerWaalsContact O-N 3.09Å
278Q85.5Confident74.3Confident137 Ų137116 Ų11664%0.6457%0.568SS**Hα-helixtrans-62.8-42.5173-171.3179.2100.100111.9Q274 I275 Q281 Q282Q274-Q278 WeakPolarHBondContact O-CB 3.36Å; Q274-Q278 PolarHBondContact O-N 2.76Å; I275-Q278 PolarHBondContact O-N 2.7Å; Q278-Q281 PolarHBondContact O-N 3.47Å; Q278-Q282 PolarHBondContact O-N 2.95Å
279Q79.3Confident72.1Confident100 Ų100115.3 Ų115.347%0.46757%0.567SS.*Hα-helixtrans-64.5-39.7173.8-72.3-177.532.500112.2I275 L276 Q281 Q282 H283I275-Q279 WeakPolarHBondContact O-CG 3.25Å; I275-Q279 PolarHBondContact O-N 3.14Å; L276-Q279 PolarHBondContact O-N 3.43Å; Q279-Q281 VanDerWaalsContact C-N 3.3Å; Q279-Q281 PolarHBondContact O-N 3.19Å; Q279-Q282 PolarHBondContact O-N 3.39Å; Q279-H283 PolarHBondContact O-CD2 3.2Å; Q279-H283 VanDerWaalsContact O-CD2 3.27Å; Q279-H283 PolarHBondContact O-N 2.86Å
280Q72.3Confident69.4Low107 Ų107116.3 Ų116.350%0.557%0.573SS.*Hα-helixtrans-60.3-39.6177.2-172.6178.731.400112.1L276 N277 H283 H284L276-Q280 WeakPolarHBondContact O-CB 3.42Å; L276-Q280 PolarHBondContact O-N 3.05Å; N277-Q280 PolarHBondContact O-N 3.32Å; Q280-H283 PolarHBondContact O-N 2.87Å; Q280-H284 PolarHBondContact O-N 2.87Å; Q280-H284 PolarHBondContact O-ND1 3.36Å
281Q64.6Low66.8Low126 Ų126115.1 Ų115.159%0.58958%0.579SS**Hα-helixtrans-64.5-41.7174.9-68.9-75.733.200112.1N277 Q278 Q279 N285N277-Q281 WeakPolarHBondContact O-CG 3.47Å; N277-Q281 PolarHBondContact O-N 3Å; N277-Q281 VanDerWaalsContact O-N 3.09Å; Q278-Q281 PolarHBondContact O-N 3.47Å; Q279-Q281 VanDerWaalsContact C-N 3.3Å; Q279-Q281 PolarHBondContact O-N 3.19Å; Q281-N285 PolarHBondContact O-N 3.06Å
282Q55.9Low63.9Low107 Ų107115 Ų11550%0.559%0.591SS.*Hα-helixtrans-62.1-49.8173.9-65.1-63.1-50.300111.2Q278 Q279 H284 N285 Y286Q278-Q282 PolarHBondContact O-N 2.95Å; Q279-Q282 PolarHBondContact O-N 3.39Å; Q282-H284 VanDerWaalsContact C-N 3.35Å; Q282-H284 PolarHBondContact O-N 3.43Å; Q282-N285 WeakPolarHBondContact O-CB 3.48Å; Q282-N285 PolarHBondContact O-N 2.88Å; Q282-N285 VanDerWaalsContact O-N 3.07Å; Q282-Y286 WeakPolarHBondContact O-CD2 3.46Å; Q282-Y286 PolarHBondContact O-N 3.26Å; Q282-Y286 VanDerWaalsContact O-N 3.13Å
283H53.4Low61.4Low129 Ų129115.6 Ų115.660%0.59760%0.604SS**Hα-helixtrans-66-31.3-178.4-78.4-70.2000113.9Q279 Q280 N285 Q287Q279-H283 PolarHBondContact O-CD2 3.2Å; Q279-H283 VanDerWaalsContact O-CD2 3.27Å; Q279-H283 PolarHBondContact O-N 2.86Å; Q280-H283 PolarHBondContact O-N 2.87Å; H283-N285 VanDerWaalsContact C-N 3.34Å; H283-Q287 WeakPolarHBondContact O-CG 3.05Å; H283-Q287 PolarHBondContact O-N 3.45Å
284H52.5Low58.9Low125 Ų125116 Ų11658%0.57961%0.614SS**Hα-helixtrans-66.9-34.9170.9-84.773.3000112.4Q280 Q282Q280-H284 PolarHBondContact O-N 2.87Å; Q280-H284 PolarHBondContact O-ND1 3.36Å; Q282-H284 VanDerWaalsContact C-N 3.35Å; Q282-H284 PolarHBondContact O-N 3.43Å
285N47.1Very low56.2Low109 Ų109120.6 Ų120.658%0.58363%0.632SS**Hα-helixtrans-70.4-41.6179.1-158.7-106.1000112Q281 Q282 H283 A288Q281-N285 PolarHBondContact O-N 3.06Å; Q282-N285 WeakPolarHBondContact O-CB 3.48Å; Q282-N285 PolarHBondContact O-N 2.88Å; Q282-N285 VanDerWaalsContact O-N 3.07Å; H283-N285 VanDerWaalsContact C-N 3.34Å; N285-A288 PolarHBondContact O-N 2.87Å
286Y42.5Very low53.4Low165 Ų165123 Ų12365%0.64765%0.654SS**Hα-helixtrans-72.5-27.6179.3-79.7-79.3000114.5Q282 A288 I289Q282-Y286 WeakPolarHBondContact O-CD2 3.46Å; Q282-Y286 PolarHBondContact O-N 3.26Å; Q282-Y286 VanDerWaalsContact O-N 3.13Å; Y286-A288 PolarHBondContact O-N 2.72Å; Y286-I289 PolarHBondContact O-N 2.65Å; Y286-I289 VanDerWaalsContact O-N 3.17Å
287Q48Very low50.8Low156 Ų156123.2 Ų123.273%0.72967%0.671SS**THydrogen-bonded Turntrans-61.8-21.4173.3-79.5-84.212.600113.3H283 I289H283-Q287 WeakPolarHBondContact O-CG 3.05Å; H283-Q287 PolarHBondContact O-N 3.45Å; Q287-I289 VanDerWaalsContact C-N 3.34Å
288A40.8Very low48.1Very low84 Ų84122.4 Ų122.469%0.69468%0.684SS**THydrogen-bonded Turntrans-80.4-9.9177.900000114.2N285 Y286N285-A288 PolarHBondContact O-N 2.87Å; Y286-A288 PolarHBondContact O-N 2.72Å
289I48Very low45.5Very low127 Ų127125.6 Ų125.665%0.65170%0.699SS**  trans-128.771.4-176.2-46.4-179.2000110.2Y286 Q287 P291Y286-I289 PolarHBondContact O-N 2.65Å; Y286-I289 VanDerWaalsContact O-N 3.17Å; Q287-I289 VanDerWaalsContact C-N 3.34Å; I289-P291 WeakPolarHBondContact O-CD 3.45Å
290L36.2Very low43.3Very low148 Ų148125.1 Ų125.178%0.77571%0.712SS**PPolyproline II helixtrans-68.1125.6162.1-86.3164.3000109.8
291P41.2Very low41.4Very low114 Ų114128.3 Ų128.374%0.7473%0.732SS**PPolyproline II helixtrans-59.6138.3162.1-2033.2000109.8I289I289-P291 WeakPolarHBondContact O-CD 3.45Å
292A35.3Very low39.7Very low90 Ų90125.7 Ų125.774%0.74474%0.738SS**PPolyproline II helixtrans-61.8143.9-179.300000111.5
293P38.8Very low38.6Very low117 Ų117126.4 Ų126.476%0.7676%0.755SS**PPolyproline II helixtrans-59.4132.1-178.6-24.834.1000112.3K295P293-K295 PolarHBondContact O-N 2.66Å
294P38.5Very low37.6Very low126 Ų126126.5 Ų126.582%0.81877%0.77SS**PPolyproline II helixtrans-66.3126.517227.7-32.9000109.5S296P294-S296 PolarHBondContact O-N 3.22Å
295K33Very low36.7Very low207 Ų207123.8 Ų123.890%0.978%0.776SS**PPolyproline II helixtrans-65.9124170.8-66.8-177.3178.6-1780109P293 A297P293-K295 PolarHBondContact O-N 2.66Å; K295-A297 PolarHBondContact O-N 2.75Å
296S33Very low36.1Very low117 Ų117125.4 Ų125.482%0.81879%0.79SS**PPolyproline II helixtrans-61.5128.5170.151.20000110.6P294P294-S296 PolarHBondContact O-N 3.22Å
297A34Very low36.7Very low108 Ų108122.9 Ų122.989%0.89379%0.794SS**PPolyproline II helixtrans-71.7141.9169.100000110.3K295K295-A297 PolarHBondContact O-N 2.75Å
298G30.6Very low36.5Very low71 Ų71120.7 Ų120.773%0.73279%0.793SS**  trans-146.991.7-179.900000110.9
299E30.6Very low35.9Very low204 Ų204121.7 Ų121.795%0.95379%0.79SS**  trans62.7170.1166.9-56.6-173.2106.300117
300A32.2Very low35.1Very low90 Ų90126.3 Ų126.374%0.74480%0.799SS**  trans-140.1150-155.300000113.8
301L32.2Very low34.6Very low175 Ų175123.7 Ų123.792%0.91679%0.794SS**  -172.2158.3128.3-123.375.2000110.9
302G30.1Very low34.1Very low71 Ų71125.6 Ų125.673%0.73280%0.797SS**  trans54.997.4159.700000118.2
303S32.1Very low33.7Very low122 Ų122126 Ų12685%0.85379%0.794SS**  75.2123.762.9-165.60000116.2
304S33.8Very low33.5Very low131 Ų131126.7 Ų126.792%0.91680%0.796SS**  trans75.2155163-154.80000119.5
305G33Very low32.9Very low68 Ų68127.3 Ų127.370%0.70180%0.798SS**  trans113.4107.3170.700000115.1
306T34.1Very low32.7Very low142 Ų142125 Ų12587%0.87180%0.796SS**  trans-104.7-177.5170.465.30000110
307P54.9Low32.6Very low112 Ų112125.6 Ų125.673%0.72780%0.8SS**  trans-87.9-173.5-140.844.4-45.6000113.3
308P43.5Very low32.2Very low110 Ų110125.3 Ų125.371%0.71479%0.791SS**  -156.2167.385.738.5-16.7000118.4
309V28.3Very low32.1Very low105 Ų105127 Ų12764%0.63679%0.792SS**  trans54.7134.8147.9-65.90000124.6
310R31.3Very low32Very low224 Ų224122.2 Ų122.285%0.84578%0.781SS**  trans61151.4136.7-69.3175.6173.9106.4-3119
311S27.3Very low31.8Very low93 Ų93123.8 Ų123.865%0.6579%0.786SS**  cis-165.6165.2-15.4-106.20000109.9
312L29.3Very low31.5Very low155 Ų155119.5 Ų119.581%0.81279%0.785SS**  trans5.9129.4134.3-51.9-179.8000116.2
313S27.7Very low31.6Very low98 Ų98120.8 Ų120.869%0.68579%0.788SS**  cis-16216415.2-69.80000114.1
314T33.2Very low31.7Very low131 Ų131121.2 Ų121.280%0.80479%0.788SS**  trans26.7123.5143.660.40000122.2
315T26.3Very low31.4Very low140 Ų140118.2 Ų118.286%0.85978%0.778SS**  trans-146.2135.6137.447.20000110.9
316N30.2Very low32Very low159 Ų159120.6 Ų120.685%0.8578%0.781SS**  trans-73.7149.5163.4-79.9-4.8000110.4
317S29.2Very low31.9Very low128 Ų128120.2 Ų120.290%0.89578%0.782SS**  -172.5168.7126.9-85.40000112.5
318S27.1Very low30.7Very low103 Ų103118 Ų11872%0.7278%0.781SS**  trans-101.6149-15451.40000116.8
319S28.3Very low30.1Very low106 Ų106121 Ų12174%0.74179%0.79SS**  trans81.2152.113168.10000123.5
320S28.2Very low30.3Very low104 Ų104120.8 Ų120.873%0.72780%0.799SS**  trans96.6102.1152.371.70000120.8
321S27.6Very low30.2Very low122 Ų122120.8 Ų120.885%0.85380%0.799SS**  trans56.4126.7132.359.40000122.2
322G25.5Very low30.6Very low86 Ų86124.7 Ų124.789%0.88781%0.807SS**  trans178.475.3164.700000113.9
323A32.3Very low30.6Very low97 Ų97124.8 Ų124.880%0.80281%0.808SS**  trans-103.9147.2164.500000108.9
324P34.3Very low31Very low131 Ų131124.6 Ų124.685%0.85181%0.807SS**  -140.7178.586.736.3-20.1000114.9
325G28.5Very low31Very low68 Ų68124.6 Ų124.670%0.70181%0.807SS**  trans-89.2-143170.700000112.8
326P45.8Very low31.3Very low118 Ų118123.3 Ų123.377%0.76680%0.804SS**  cis-142.517515.244-26.1000118
327C31.5Very low31.7Very low134 Ų134123.8 Ų123.891%0.90581%0.805SS**  trans61.3155.6159.4-630000118.9
328G28.6Very low32.4Very low67 Ų67125.1 Ų125.169%0.69181%0.808SS**  cis-164.7-179.8-6.300000108
329L32.5Very low32.7Very low172 Ų172123.2 Ų123.290%0.90181%0.805SS**  cis-161154.722.5-71.2167.4000111.5
330A31.4Very low33.4Very low101 Ų101128 Ų12884%0.83581%0.812SS**  trans63.5150.4152.700000119.9
331R30.2Very low34.3Very low223 Ų223126.6 Ų126.684%0.84280%0.801SS**  cis-149115.81.4-160.6169.5-179.7-97.25.5113.2
332Q34.7Very low35.8Very low176 Ų176123.3 Ų123.382%0.82279%0.786SS**  trans3.7138.8150.8-66.5160.6-22.300119.3
333N30Very low37.7Very low157 Ų157123.6 Ų123.684%0.8478%0.78SS**  -142.6169.671-159.816.8000115.6
334S36.8Very low39.8Very low94 Ų94119.9 Ų119.966%0.65775%0.746SS**  trans-90.3173.9-167.563.40000113.8
335T32.1Very low41.6Very low131 Ų131117.1 Ų117.180%0.80473%0.729SS**  cis-139.8152.926.6490000115.5
336S32.3Very low43.7Very low113 Ų113119 Ų11979%0.7974%0.738SS**  trans-146.9145.4154.9580000108.8
337L38.8Very low45.4Very low169 Ų169117.4 Ų117.489%0.88572%0.723SS**  trans-130.9103.7178.5-75.2177000110.8G339L337-G339 PolarHBondContact O-N 2.67Å
338T43.5Very low48.1Very low156 Ų156111.4 Ų111.496%0.95768%0.682SS**  trans-77.990.516249.80000109
339G34.4Very low51Low63 Ų63111.9 Ų111.965%0.64967%0.669SS**SBendtrans-150.1171.9179.200000111.5L337L337-G339 PolarHBondContact O-N 2.67Å
340K42.9Very low53.8Low205 Ų205108.8 Ų108.889%0.89165%0.653SS**SBendtrans-55.1140.8176.5-61.2177-178.7178.70109.9G342K340-G342 PolarHBondContact O-N 2.87Å; K340-G342 VanDerWaalsContact O-N 3.16Å
341P47.4Very low56.5Low76 Ų76105.4 Ų105.449%0.49462%0.62SS.*  trans-59.3121.7178.924.8-33.6000109.9
342G58.2Low59.6Low52 Ų52101.5 Ų101.554%0.53661%0.609SS.*  trans-70.4177.4177.600000112.6K340 R363K340-G342 PolarHBondContact O-N 2.87Å; K340-G342 VanDerWaalsContact O-N 3.16Å; G342-R363 PolarHBondContact O-NH2 2.81Å
343A65.3Low62.4Low92 Ų9296.1 Ų96.176%0.7659%0.588SS**PPolyproline II helixtrans-60.4143.8165.800000110.1
344L76.5Confident65.4Low19 Ų1992.1 Ų92.110%0.09958%0.577CS.*PPolyproline II helixtrans-72.2151.2176.5-72.8163.8000110.9A346 L348 E359 L378 Q382L344-A346 PolarHBondContact O-N 3.35Å; L344-L348 HydrophobicContact CB-CD2 4.19Å; L344-L348 HydrophobicContact CD1-CD2 4.34Å; L344-L348 HydrophobicContact CD2-CD2 4.14Å; L344-L348 HydrophobicContact CG-CD2 4.46Å; L344-E359 HydrophobicContact CD2-CG 3.36Å; L344-L378 HydrophobicContact CD1-CB 4.01Å; L344-L378 HydrophobicContact CD1-CD2 4.3Å; L344-L378 WeakPolarHBondContact CD1-O 3.41Å; L344-L378 HydrophobicContact CD2-CD2 4.43Å; L344-Q382 HydrophobicContact CD1-CB 4.02Å; L344-Q382 HydrophobicContact CD1-CG 4.47Å
345P73.3Confident68.1Low73 Ų7391.2 Ų91.247%0.47456%0.562SS.*PPolyproline II helixtrans-61.5133.1163.128.8-33.5000108.9N347 M351P345-N347 PolarHBondContact O-N 2.96Å; P345-N347 VanDerWaalsContact O-N 3.14Å; P345-M351 HydrophobicContact CG-SD 3.85Å
346A71.5Confident71.1Confident109 Ų10985 Ų8590%0.90152%0.524SS*.SBendtrans-60.1-26.118000000112.9L344 L348L344-A346 PolarHBondContact O-N 3.35Å; A346-L348 PolarHBondContact O-N 3.48Å
347N81.1Confident74.1Confident83 Ų8383.2 Ų83.244%0.44450%0.502SS..  trans-92.785.9171.3-172.8-18.8000110.2P345 D349 D350P345-N347 PolarHBondContact O-N 2.96Å; P345-N347 VanDerWaalsContact O-N 3.14Å; N347-D349 VanDerWaalsContact C-N 3.32Å; N347-D349 PolarHBondContact OD1-N 3.03Å; N347-D350 PolarHBondContact ND2-OD2 3.06Å; N347-D350 WeakPolarHBondContact OD1-CB 3.39Å; N347-D350 PolarHBondContact OD1-N 2.88Å
348L88.3Confident76.8Confident8 Ų881 Ų814%0.04249%0.488CS..  trans-76.6-24169-64.8173.2000111.7L344 A346 D350 M351 I375 L378 R379L344-L348 HydrophobicContact CB-CD2 4.19Å; L344-L348 HydrophobicContact CD1-CD2 4.34Å; L344-L348 HydrophobicContact CD2-CD2 4.14Å; L344-L348 HydrophobicContact CG-CD2 4.46Å; A346-L348 PolarHBondContact O-N 3.48Å; L348-D350 PolarHBondContact O-N 2.82Å; L348-M351 HydrophobicContact CD2-SD 3.9Å; L348-M351 WeakPolarHBondContact O-CB 3.32Å; L348-M351 PolarHBondContact O-N 2.84Å; L348-I375 HydrophobicContact CB-CB 4.44Å; L348-I375 HydrophobicContact CB-CG1 4.18Å; L348-I375 HydrophobicContact CB-CG2 3.78Å; L348-I375 HydrophobicContact CD1-CG2 4.19Å; L348-L378 HydrophobicContact CD1-CB 3.85Å; L348-L378 HydrophobicContact CD2-CB 4.25Å; L348-L378 HydrophobicContact CD2-CD1 4.12Å; L348-R379 HydrophobicContact CD1-CB 4.27Å
349D90.7Very high79.1Confident78 Ų7875.3 Ų75.342%0.41745%0.45SS..SBendtrans-73.4-22.1-171.6-70.8-91.6000113.8N347 K371 I375 R379N347-D349 VanDerWaalsContact C-N 3.32Å; N347-D349 PolarHBondContact OD1-N 3.03Å; D349-K371 WeakPolarHBondContact O-CE 3.48Å; D349-K371 PolarHBondContact O-NZ 3.33Å; D349-I375 HydrophobicContact CB-CD1 4.46Å; D349-R379 IonicContact OD2-NH2 3.23Å; D349-R379 PolarHBondContact OD2-NH2 2.95Å
350D90.4Very high82Confident107 Ų10772.3 Ų72.357%0.57242%0.419SS*.SBendtrans-83.2-23.3170.4-81-35.1000113.8N347 L348N347-D350 PolarHBondContact ND2-OD2 3.06Å; N347-D350 WeakPolarHBondContact OD1-CB 3.39Å; N347-D350 PolarHBondContact OD1-N 2.88Å; L348-D350 PolarHBondContact O-N 2.82Å
351M88.9Confident84.5Confident30 Ų3070.6 Ų70.615%0.14841%0.411CS..SBendtrans-59.2143.8-177.7-65.8-179.668.300112.1P345 L348 E355 L356 E359 K371P345-M351 HydrophobicContact CG-SD 3.85Å; L348-M351 HydrophobicContact CD2-SD 3.9Å; L348-M351 WeakPolarHBondContact O-CB 3.32Å; L348-M351 PolarHBondContact O-N 2.84Å; M351-E355 HydrophobicContact CB-CB 4.41Å; M351-E355 HydrophobicContact CE-CB 3.78Å; M351-L356 HydrophobicContact CB-CD1 4.41Å; M351-L356 HydrophobicContact CB-CD2 3.86Å; M351-L356 HydrophobicContact CB-CG 3.79Å; M351-L356 HydrophobicContact SD-CD2 4.15Å; M351-E359 HydrophobicContact CE-CB 4.46Å; M351-K371 VanDerWaalsContact O-CE 3.27Å; M351-K371 WeakPolarHBondContact O-CE 3.34Å; M351-K371 PolarHBondContact O-NZ 3.43Å
352K93.8Very high86.6Confident140 Ų14072.3 Ų72.361%0.60942%0.416SS*.  trans-71.9154.1176-60.7-175.2-170.3-60.70110.7A354 E355 L356K352-A354 PolarHBondContact O-N 3.27Å; K352-A354 VanDerWaalsContact O-N 3.1Å; K352-E355 HydrophobicContact CB-CG 4.28Å; K352-E355 WeakPolarHBondContact CB-OE1 3.46Å; K352-E355 VanDerWaalsContact CD-OE1 3.28Å; K352-E355 WeakPolarHBondContact CD-OE1 3.42Å; K352-E355 VanDerWaalsContact CG-OE1 3.29Å; K352-E355 WeakPolarHBondContact CG-OE1 3.24Å; K352-E355 PolarHBondContact N-OE2 3.07Å; K352-E355 WeakPolarHBondContact O-CB 3.19Å; K352-E355 PolarHBondContact O-N 3.48Å; K352-L356 WeakPolarHBondContact O-CG 3.38Å; K352-L356 PolarHBondContact O-N 3.06Å
353V93.5Very high88.1Confident63 Ų6370.2 Ų70.238%0.38239%0.392SS..Hα-helixtrans-55.2-31.4175.5175.10000112.4K357 K371 L374V353-K357 HydrophobicContact CG1-CD 4.24Å; V353-K357 WeakPolarHBondContact O-CB 3.38Å; V353-K357 VanDerWaalsContact O-CG 3.23Å; V353-K357 WeakPolarHBondContact O-CG 3.42Å; V353-K357 PolarHBondContact O-N 3.3Å; V353-K371 HydrophobicContact CG2-CB 3.89Å; V353-K371 HydrophobicContact CG2-CD 4.2Å; V353-K371 HydrophobicContact CG2-CG 4.2Å; V353-L374 HydrophobicContact CG1-CD1 3.86Å
354A94Very high89.2Confident73 Ų7371.3 Ų71.360%0.60339%0.394SS*.Hα-helixtrans-67.7-46173.600000112.6K352 K357 Q358K352-A354 PolarHBondContact O-N 3.27Å; K352-A354 VanDerWaalsContact O-N 3.1Å; A354-K357 PolarHBondContact O-N 2.9Å; A354-Q358 WeakPolarHBondContact O-CB 3.35Å; A354-Q358 PolarHBondContact O-N 2.8Å
355E94.3Very high90Very high75 Ų7572.4 Ų72.435%0.3540%0.4SS..Hα-helixtrans-66.1-44.3178.7-64.9146.7-153.200110.8M351 K352 K357 Q358 E359M351-E355 HydrophobicContact CB-CB 4.41Å; M351-E355 HydrophobicContact CE-CB 3.78Å; K352-E355 HydrophobicContact CB-CG 4.28Å; K352-E355 WeakPolarHBondContact CB-OE1 3.46Å; K352-E355 VanDerWaalsContact CD-OE1 3.28Å; K352-E355 WeakPolarHBondContact CD-OE1 3.42Å; K352-E355 VanDerWaalsContact CG-OE1 3.29Å; K352-E355 WeakPolarHBondContact CG-OE1 3.24Å; K352-E355 PolarHBondContact N-OE2 3.07Å; K352-E355 WeakPolarHBondContact O-CB 3.19Å; K352-E355 PolarHBondContact O-N 3.48Å; E355-K357 PolarHBondContact O-N 2.97Å; E355-Q358 WeakPolarHBondContact O-CB 3.25Å; E355-Q358 PolarHBondContact O-N 3Å; E355-E359 WeakPolarHBondContact O-CB 3.43Å; E355-E359 PolarHBondContact O-N 3.18Å
356L94.9Very high90.9Very high0 Ų073 Ų730%040%0.403CS..Hα-helixtrans-58.8-43.9173.9-68.7165.4000111.8M351 K352 E359 L360 K371 L374 I375 L378M351-L356 HydrophobicContact CB-CD1 4.41Å; M351-L356 HydrophobicContact CB-CD2 3.86Å; M351-L356 HydrophobicContact CB-CG 3.79Å; M351-L356 HydrophobicContact SD-CD2 4.15Å; K352-L356 WeakPolarHBondContact O-CG 3.38Å; K352-L356 PolarHBondContact O-N 3.06Å; L356-E359 PolarHBondContact O-N 2.97Å; L356-L360 WeakPolarHBondContact O-CB 3.45Å; L356-L360 WeakPolarHBondContact O-CD1 3.11Å; L356-L360 VanDerWaalsContact O-CG 3.25Å; L356-L360 WeakPolarHBondContact O-CG 3.48Å; L356-L360 PolarHBondContact O-N 2.78Å; L356-K371 HydrophobicContact CD1-CD 4.24Å; L356-K371 HydrophobicContact CD1-CG 3.8Å; L356-L374 HydrophobicContact CB-CB 4.15Å; L356-I375 HydrophobicContact CD1-CD1 4.2Å; L356-I375 HydrophobicContact CD1-CG1 3.79Å; L356-I375 HydrophobicContact CD2-CG1 3.74Å; L356-I375 HydrophobicContact CG-CG1 4.45Å; L356-L378 HydrophobicContact CD2-CD1 3.59Å
357K94.7Very high91.9Very high77 Ų7770.9 Ų70.934%0.33538%0.379SS..Hα-helixtrans-68.7-34.7175.6-74.9-177.4-176.1-156.40113V353 A354 E355 K361 V367 L374V353-K357 HydrophobicContact CG1-CD 4.24Å; V353-K357 WeakPolarHBondContact O-CB 3.38Å; V353-K357 VanDerWaalsContact O-CG 3.23Å; V353-K357 WeakPolarHBondContact O-CG 3.42Å; V353-K357 PolarHBondContact O-N 3.3Å; A354-K357 PolarHBondContact O-N 2.9Å; E355-K357 PolarHBondContact O-N 2.97Å; K357-K361 VanDerWaalsContact O-CB 3.24Å; K357-K361 WeakPolarHBondContact O-CB 3.44Å; K357-K361 PolarHBondContact O-N 3.1Å; K357-V367 HydrophobicContact CB-CB 4.4Å; K357-V367 WeakPolarHBondContact CD-O 3.26Å; K357-V367 WeakPolarHBondContact CE-O 3.24Å; K357-V367 HydrophobicContact CG-CB 4.24Å; K357-V367 PolarHBondContact NZ-O 2.83Å; K357-V367 WeakPolarHBondContact O-CG1 3.42Å; K357-L374 HydrophobicContact CD-CD1 4.5Å; K357-L374 HydrophobicContact CG-CD1 3.97Å; K357-L374 HydrophobicContact CG-CD2 3.84Å
358Q94.6Very high92.3Very high123 Ų12371.4 Ų71.458%0.57539%0.389SS*.Hα-helixtrans-63.4-45.3172.4173.2176.7-14.500110.7A354 E355 K361 L362A354-Q358 WeakPolarHBondContact O-CB 3.35Å; A354-Q358 PolarHBondContact O-N 2.8Å; E355-Q358 WeakPolarHBondContact O-CB 3.25Å; E355-Q358 PolarHBondContact O-N 3Å; Q358-K361 WeakPolarHBondContact O-CB 3.23Å; Q358-K361 PolarHBondContact O-N 3.46Å; Q358-L362 HydrophobicContact CG-CD1 4.34Å; Q358-L362 WeakPolarHBondContact O-CG 3.44Å; Q358-L362 PolarHBondContact O-N 3Å
359E93.1Very high92.5Very high36 Ų3672.4 Ų72.417%0.16840%0.402CS..Hα-helixtrans-69.2-40.7-177.7-165.157.1-14700112.3L344 M351 E355 L356 K361 L362 R363 L378L344-E359 HydrophobicContact CD2-CG 3.36Å; M351-E359 HydrophobicContact CE-CB 4.46Å; E355-E359 WeakPolarHBondContact O-CB 3.43Å; E355-E359 PolarHBondContact O-N 3.18Å; L356-E359 PolarHBondContact O-N 2.97Å; E359-K361 VanDerWaalsContact C-N 3.32Å; E359-K361 PolarHBondContact O-N 3.2Å; E359-L362 PolarHBondContact O-N 3.48Å; E359-R363 WeakPolarHBondContact O-CB 3.27Å; E359-R363 WeakPolarHBondContact O-CG 3.17Å; E359-R363 PolarHBondContact O-N 2.94Å; E359-R363 IonicContact OE1-CZ 3.16Å; E359-R363 IonicContact OE1-NE 2.73Å; E359-R363 PolarHBondContact OE1-NE 3.47Å; E359-R363 IonicContact OE1-NH2 2.7Å; E359-R363 PolarHBondContact OE1-NH2 3.2Å; E359-L378 HydrophobicContact CB-CD1 4.09Å; E359-L378 HydrophobicContact CB-CD2 4.2Å; E359-L378 HydrophobicContact CG-CD1 4.17Å; E359-L378 HydrophobicContact CG-CD2 3.87Å
360L94.7Very high92.7Very high0 Ų072.3 Ų72.30%040%0.404CS..Hα-helixtrans-59.9-42.2169.2-73161.6000111.5L356 R363 S364 L365 V367 L374 R377 L378L356-L360 WeakPolarHBondContact O-CB 3.45Å; L356-L360 WeakPolarHBondContact O-CD1 3.11Å; L356-L360 VanDerWaalsContact O-CG 3.25Å; L356-L360 WeakPolarHBondContact O-CG 3.48Å; L356-L360 PolarHBondContact O-N 2.78Å; L360-R363 CarbonylContact O-C 3.58Å; L360-R363 PolarHBondContact O-N 2.9Å; L360-R363 VanDerWaalsContact O-N 3.13Å; L360-S364 PolarHBondContact O-N 2.96Å; L360-L365 HydrophobicContact CB-CB 4.18Å; L360-L365 HydrophobicContact CD2-CB 3.53Å; L360-L365 HydrophobicContact CD2-CD1 3.68Å; L360-L365 HydrophobicContact CD2-CG 4.26Å; L360-L365 HydrophobicContact CG-CB 4.47Å; L360-L365 PolarHBondContact O-N 3.28Å; L360-V367 HydrophobicContact CB-CG1 3.93Å; L360-L374 HydrophobicContact CD1-CB 3.77Å; L360-L374 HydrophobicContact CD1-CD2 3.24Å; L360-L374 HydrophobicContact CD1-CG 4.09Å; L360-R377 HydrophobicContact CD2-CB 3.64Å; L360-L378 HydrophobicContact CD2-CD2 3.73Å; L360-L378 HydrophobicContact CD2-CG 3.73Å; L360-L378 HydrophobicContact CG-CD1 4.28Å; L360-L378 HydrophobicContact CG-CD2 3.82Å; L360-L378 HydrophobicContact CG-CG 3.81Å
361K95.3Very high92.9Very high168 Ų16870.7 Ų70.773%0.7339%0.392SS*.Hα-helixtrans-64.6-39.2176.8-172.7177.8-179.9-178.70112.3K357 Q358 E359 R363 S364 V367K357-K361 VanDerWaalsContact O-CB 3.24Å; K357-K361 WeakPolarHBondContact O-CB 3.44Å; K357-K361 PolarHBondContact O-N 3.1Å; Q358-K361 WeakPolarHBondContact O-CB 3.23Å; Q358-K361 PolarHBondContact O-N 3.46Å; E359-K361 VanDerWaalsContact C-N 3.32Å; E359-K361 PolarHBondContact O-N 3.2Å; K361-R363 PolarHBondContact O-N 2.92Å; K361-S364 PolarHBondContact O-N 2.89Å; K361-V367 HydrophobicContact CB-CG1 4.14Å
362L92.2Very high93.2Very high113 Ų11373.8 Ų73.859%0.59241%0.413SS*.Hα-helixtrans-64.3-29.8172.9-72172.1000112.3Q358 E359Q358-L362 HydrophobicContact CG-CD1 4.34Å; Q358-L362 WeakPolarHBondContact O-CG 3.44Å; Q358-L362 PolarHBondContact O-N 3Å; E359-L362 PolarHBondContact O-N 3.48Å
363R90.3Very high93.3Very high8 Ų870.5 Ų70.53%0.0340%0.399CS..THydrogen-bonded Turntrans-94.27.8179-66.2168.5-171.2-90-14113.6G342 E359 L360 K361 L365 Y381G342-R363 PolarHBondContact O-NH2 2.81Å; E359-R363 WeakPolarHBondContact O-CB 3.27Å; E359-R363 WeakPolarHBondContact O-CG 3.17Å; E359-R363 PolarHBondContact O-N 2.94Å; E359-R363 IonicContact OE1-CZ 3.16Å; E359-R363 IonicContact OE1-NE 2.73Å; E359-R363 PolarHBondContact OE1-NE 3.47Å; E359-R363 IonicContact OE1-NH2 2.7Å; E359-R363 PolarHBondContact OE1-NH2 3.2Å; L360-R363 CarbonylContact O-C 3.58Å; L360-R363 PolarHBondContact O-N 2.9Å; L360-R363 VanDerWaalsContact O-N 3.13Å; K361-R363 PolarHBondContact O-N 2.92Å; R363-L365 HydrophobicContact CB-CD1 3.85Å; R363-L365 HydrophobicContact CB-CG 4.1Å; R363-L365 PolarHBondContact O-N 3.39Å; R363-Y381 HydrophobicContact CB-CD1 4.2Å; R363-Y381 HydrophobicContact CB-CE1 3.7Å; R363-Y381 HydrophobicContact CB-CE2 4.47Å; R363-Y381 HydrophobicContact CG-CD1 4.05Å; R363-Y381 HydrophobicContact CG-CE1 3.49Å; R363-Y381 VanDerWaalsContact CG-CE1 3.49Å
364S88.1Confident93.4Very high115 Ų11567.5 Ų67.580%0.80438%0.381SS*.THydrogen-bonded Turntrans56.223.2-175.760.80000115.5L360 K361L360-S364 PolarHBondContact O-N 2.96Å; K361-S364 PolarHBondContact O-N 2.89Å
365L91.6Very high93.4Very high41 Ų4164.2 Ų64.222%0.21535%0.354CS..  trans-88.9156.9178.7-65.7167.3000111.6L360 R363 L378 Y381L360-L365 HydrophobicContact CB-CB 4.18Å; L360-L365 HydrophobicContact CD2-CB 3.53Å; L360-L365 HydrophobicContact CD2-CD1 3.68Å; L360-L365 HydrophobicContact CD2-CG 4.26Å; L360-L365 HydrophobicContact CG-CB 4.47Å; L360-L365 PolarHBondContact O-N 3.28Å; R363-L365 HydrophobicContact CB-CD1 3.85Å; R363-L365 HydrophobicContact CB-CG 4.1Å; R363-L365 PolarHBondContact O-N 3.39Å; L365-L378 HydrophobicContact CD1-CD2 4.45Å; L365-Y381 HydrophobicContact CD1-CD1 4.28Å; L365-Y381 HydrophobicContact CD1-CD2 3.85Å; L365-Y381 HydrophobicContact CD1-CE2 4.49Å; L365-Y381 HydrophobicContact CD1-CG 3.71Å; L365-Y381 HydrophobicContact CD2-CD2 4Å; L365-Y381 HydrophobicContact CG-CD2 4.22Å
366P92.9Very high93.4Very high85 Ų8566.8 Ų66.855%0.55237%0.365SS*.  trans-57.4139.2175.9-2534.7000112.8R377P366-R377 PolarHBondContact O-NH1 3.26Å
367V93.4Very high93.4Very high65 Ų6569.2 Ų69.239%0.39438%0.375SS..  trans-110.310-177.5-60.30000114.4K357 L360 K361K357-V367 HydrophobicContact CB-CB 4.4Å; K357-V367 WeakPolarHBondContact CD-O 3.26Å; K357-V367 WeakPolarHBondContact CE-O 3.24Å; K357-V367 HydrophobicContact CG-CB 4.24Å; K357-V367 PolarHBondContact NZ-O 2.83Å; K357-V367 WeakPolarHBondContact O-CG1 3.42Å; L360-V367 HydrophobicContact CB-CG1 3.93Å; K361-V367 HydrophobicContact CB-CG1 4.14Å
368S89.8Confident93.3Very high94 Ų9465.5 Ų65.566%0.65736%0.359SS*.  trans-77.3173.1171.3-164.50000111.5L374 R377S368-L374 VanDerWaalsContact O-CD2 3.24Å; S368-L374 WeakPolarHBondContact O-CD2 3.49Å; S368-R377 VanDerWaalsContact O-CZ 3.28Å; S368-R377 PolarHBondContact O-NH1 2.85Å; S368-R377 PolarHBondContact O-NH2 2.87Å
369G91.9Very high93.2Very high29 Ų2965.7 Ų65.730%0.29935%0.354SS..SBendtrans94.1175.9169.800000116.8E373G369-E373 WeakPolarHBondContact CA-OE2 3.31Å
370T94.3Very high93Very high77 Ų7766.3 Ų66.347%0.47237%0.366SS..  trans-76.3167.1178.4630000112.6T372 E373 L374T370-T372 VanDerWaalsContact C-N 3.29Å; T370-T372 PolarHBondContact O-N 3.19Å; T370-T372 PolarHBondContact OG1-OG1 3.32Å; T370-E373 VanDerWaalsContact CB-OE1 3.28Å; T370-E373 WeakPolarHBondContact CB-OE1 3.5Å; T370-E373 WeakPolarHBondContact CG2-OE1 3.38Å; T370-E373 PolarHBondContact N-OE1 3.21Å; T370-E373 PolarHBondContact O-N 3.17Å; T370-E373 WeakPolarHBondContact OG1-CG 3.33Å; T370-E373 PolarHBondContact OG1-OE1 2.78Å; T370-L374 VanDerWaalsContact O-CG 3.25Å; T370-L374 WeakPolarHBondContact O-CG 3.48Å; T370-L374 PolarHBondContact O-N 3.16Å; T370-L374 VanDerWaalsContact O-N 3.11Å
371K95.3Very high92.6Very high73 Ų7369.2 Ų69.232%0.31738%0.377SS..Hα-helixtrans-55-42.7-177.5178165.7167.8168.20112.6D349 M351 V353 L356 L374 I375D349-K371 WeakPolarHBondContact O-CE 3.48Å; D349-K371 PolarHBondContact O-NZ 3.33Å; M351-K371 VanDerWaalsContact O-CE 3.27Å; M351-K371 WeakPolarHBondContact O-CE 3.34Å; M351-K371 PolarHBondContact O-NZ 3.43Å; V353-K371 HydrophobicContact CG2-CB 3.89Å; V353-K371 HydrophobicContact CG2-CD 4.2Å; V353-K371 HydrophobicContact CG2-CG 4.2Å; L356-K371 HydrophobicContact CD1-CD 4.24Å; L356-K371 HydrophobicContact CD1-CG 3.8Å; K371-L374 PolarHBondContact O-N 3.04Å; K371-I375 HydrophobicContact CD-CD1 4.43Å; K371-I375 HydrophobicContact CG-CD1 3.77Å; K371-I375 WeakPolarHBondContact O-CD1 3.24Å; K371-I375 WeakPolarHBondContact O-CG1 3.45Å; K371-I375 PolarHBondContact O-N 3.41Å; K371-I375 VanDerWaalsContact O-N 3.1Å
372T94.3Very high92.2Very high95 Ų9563.4 Ų63.458%0.58335%0.352SS*.Hα-helixtrans-63.4-47.4179.540.70000112T370 L374 I375 E376T370-T372 VanDerWaalsContact C-N 3.29Å; T370-T372 PolarHBondContact O-N 3.19Å; T370-T372 PolarHBondContact OG1-OG1 3.32Å; T372-L374 VanDerWaalsContact C-N 3.26Å; T372-L374 PolarHBondContact O-N 2.83Å; T372-I375 WeakPolarHBondContact O-CB 3.47Å; T372-I375 PolarHBondContact O-N 3.31Å; T372-E376 WeakPolarHBondContact O-CB 3.45Å; T372-E376 PolarHBondContact O-N 2.84Å
373E95.6Very high91.6Very high70 Ų7063.3 Ų63.333%0.32735%0.353SS..Hα-helixtrans-64.6-30.7178-55.6158.1-123.600112.8G369 T370 R377G369-E373 WeakPolarHBondContact CA-OE2 3.31Å; T370-E373 VanDerWaalsContact CB-OE1 3.28Å; T370-E373 WeakPolarHBondContact CB-OE1 3.5Å; T370-E373 WeakPolarHBondContact CG2-OE1 3.38Å; T370-E373 PolarHBondContact N-OE1 3.21Å; T370-E373 PolarHBondContact O-N 3.17Å; T370-E373 WeakPolarHBondContact OG1-CG 3.33Å; T370-E373 PolarHBondContact OG1-OE1 2.78Å; E373-R377 PolarHBondContact O-N 3.46Å; E373-R377 VanDerWaalsContact O-N 3.12Å; E373-R377 PolarHBondContact O-NE 3.19Å; E373-R377 PolarHBondContact O-NH2 3.1Å; E373-R377 IonicContact OE2-NH2 3.24Å; E373-R377 PolarHBondContact OE2-NH2 2.95Å
374L95.8Very high90.7Very high0 Ų070.7 Ų70.70%039%0.387CS..Hα-helixtrans-68.6-41.3175.5-64.5164.9000110.7V353 L356 K357 L360 S368 T370 K371 T372 L378V353-L374 HydrophobicContact CG1-CD1 3.86Å; L356-L374 HydrophobicContact CB-CB 4.15Å; K357-L374 HydrophobicContact CD-CD1 4.5Å; K357-L374 HydrophobicContact CG-CD1 3.97Å; K357-L374 HydrophobicContact CG-CD2 3.84Å; L360-L374 HydrophobicContact CD1-CB 3.77Å; L360-L374 HydrophobicContact CD1-CD2 3.24Å; L360-L374 HydrophobicContact CD1-CG 4.09Å; S368-L374 VanDerWaalsContact O-CD2 3.24Å; S368-L374 WeakPolarHBondContact O-CD2 3.49Å; T370-L374 VanDerWaalsContact O-CG 3.25Å; T370-L374 WeakPolarHBondContact O-CG 3.48Å; T370-L374 PolarHBondContact O-N 3.16Å; T370-L374 VanDerWaalsContact O-N 3.11Å; K371-L374 PolarHBondContact O-N 3.04Å; T372-L374 VanDerWaalsContact C-N 3.26Å; T372-L374 PolarHBondContact O-N 2.83Å; L374-L378 WeakPolarHBondContact O-CG 3.46Å; L374-L378 PolarHBondContact O-N 3.45Å
375I94.6Very high89.7Confident5 Ų569.2 Ų69.23%0.02637%0.369CS..Hα-helixtrans-65.3-45.8173.9-70.3159.1000110.9L348 D349 L356 K371 T372 R377 L378 R379L348-I375 HydrophobicContact CB-CB 4.44Å; L348-I375 HydrophobicContact CB-CG1 4.18Å; L348-I375 HydrophobicContact CB-CG2 3.78Å; L348-I375 HydrophobicContact CD1-CG2 4.19Å; D349-I375 HydrophobicContact CB-CD1 4.46Å; L356-I375 HydrophobicContact CD1-CD1 4.2Å; L356-I375 HydrophobicContact CD1-CG1 3.79Å; L356-I375 HydrophobicContact CD2-CG1 3.74Å; L356-I375 HydrophobicContact CG-CG1 4.45Å; K371-I375 HydrophobicContact CD-CD1 4.43Å; K371-I375 HydrophobicContact CG-CD1 3.77Å; K371-I375 WeakPolarHBondContact O-CD1 3.24Å; K371-I375 WeakPolarHBondContact O-CG1 3.45Å; K371-I375 PolarHBondContact O-N 3.41Å; K371-I375 VanDerWaalsContact O-N 3.1Å; T372-I375 WeakPolarHBondContact O-CB 3.47Å; T372-I375 PolarHBondContact O-N 3.31Å; I375-R377 PolarHBondContact O-N 3.45Å; I375-L378 PolarHBondContact O-N 3.4Å; I375-L378 VanDerWaalsContact O-N 3.1Å; I375-R379 PolarHBondContact O-N 2.8Å
376E94.2Very high87.3Confident128 Ų12871.2 Ų71.260%0.59839%0.387SS*.Hα-helixtrans-57-46.5179.1-178.2179.3-152.700111.9T372 L378 R379 A380T372-E376 WeakPolarHBondContact O-CB 3.45Å; T372-E376 PolarHBondContact O-N 2.84Å; E376-L378 VanDerWaalsContact C-N 3.33Å; E376-L378 PolarHBondContact O-N 3.35Å; E376-R379 PolarHBondContact O-N 2.74Å; E376-A380 WeakPolarHBondContact O-CB 3.28Å; E376-A380 PolarHBondContact O-N 2.9Å
377R94.4Very high84.9Confident51 Ų5172.4 Ų72.419%0.19240%0.395CS..Hα-helixtrans-63.6-34.5174.9-86168-86.4153.5-14.6113.6L360 P366 S368 E373 I375 Y381L360-R377 HydrophobicContact CD2-CB 3.64Å; P366-R377 PolarHBondContact O-NH1 3.26Å; S368-R377 VanDerWaalsContact O-CZ 3.28Å; S368-R377 PolarHBondContact O-NH1 2.85Å; S368-R377 PolarHBondContact O-NH2 2.87Å; E373-R377 PolarHBondContact O-N 3.46Å; E373-R377 VanDerWaalsContact O-N 3.12Å; E373-R377 PolarHBondContact O-NE 3.19Å; E373-R377 PolarHBondContact O-NH2 3.1Å; E373-R377 IonicContact OE2-NH2 3.24Å; E373-R377 PolarHBondContact OE2-NH2 2.95Å; I375-R377 PolarHBondContact O-N 3.45Å; R377-Y381 WeakPolarHBondContact O-CB 3.29Å; R377-Y381 PolarHBondContact O-N 3.49Å
378L93.3Very high82.4Confident0 Ų076 Ų760%042%0.417CS..Hα-helixtrans-71.3-38.6173.7-73.1175000111.9L344 L348 L356 E359 L360 L365 L374 I375 E376 Y381 Q382L344-L378 HydrophobicContact CD1-CB 4.01Å; L344-L378 HydrophobicContact CD1-CD2 4.3Å; L344-L378 WeakPolarHBondContact CD1-O 3.41Å; L344-L378 HydrophobicContact CD2-CD2 4.43Å; L348-L378 HydrophobicContact CD1-CB 3.85Å; L348-L378 HydrophobicContact CD2-CB 4.25Å; L348-L378 HydrophobicContact CD2-CD1 4.12Å; L356-L378 HydrophobicContact CD2-CD1 3.59Å; E359-L378 HydrophobicContact CB-CD1 4.09Å; E359-L378 HydrophobicContact CB-CD2 4.2Å; E359-L378 HydrophobicContact CG-CD1 4.17Å; E359-L378 HydrophobicContact CG-CD2 3.87Å; L360-L378 HydrophobicContact CD2-CD2 3.73Å; L360-L378 HydrophobicContact CD2-CG 3.73Å; L360-L378 HydrophobicContact CG-CD1 4.28Å; L360-L378 HydrophobicContact CG-CD2 3.82Å; L360-L378 HydrophobicContact CG-CG 3.81Å; L365-L378 HydrophobicContact CD1-CD2 4.45Å; L374-L378 WeakPolarHBondContact O-CG 3.46Å; L374-L378 PolarHBondContact O-N 3.45Å; I375-L378 PolarHBondContact O-N 3.4Å; I375-L378 VanDerWaalsContact O-N 3.1Å; E376-L378 VanDerWaalsContact C-N 3.33Å; E376-L378 PolarHBondContact O-N 3.35Å; L378-Y381 PolarHBondContact O-N 3.5Å; L378-Q382 WeakPolarHBondContact O-CB 3.49Å; L378-Q382 PolarHBondContact O-N 3.38Å
379R91.9Very high80.1Confident126 Ų12677.6 Ų77.648%0.47542%0.424SS..Hα-helixtrans-64.9-51.8176.4-165.6179-64-1791111.4L348 D349 I375 E376 Y381 Q382 D383L348-R379 HydrophobicContact CD1-CB 4.27Å; D349-R379 IonicContact OD2-NH2 3.23Å; D349-R379 PolarHBondContact OD2-NH2 2.95Å; I375-R379 PolarHBondContact O-N 2.8Å; E376-R379 PolarHBondContact O-N 2.74Å; R379-Y381 PolarHBondContact O-N 3.39Å; R379-Y381 VanDerWaalsContact O-N 3.09Å; R379-Q382 WeakPolarHBondContact O-CA 3.45Å; R379-Q382 WeakPolarHBondContact O-CB 3.42Å; R379-Q382 PolarHBondContact O-N 3.47Å; R379-D383 PolarHBondContact O-N 2.69Å
380A88.8Confident77.3Confident50 Ų5080 Ų8041%0.41345%0.45SS..Hα-helixtrans-61-21.6176.700000114E376 Q384E376-A380 WeakPolarHBondContact O-CB 3.28Å; E376-A380 PolarHBondContact O-N 2.9Å; A380-Q384 PolarHBondContact O-NE2 2.99Å
381Y86.9Confident74.5Confident60 Ų6081 Ų8124%0.23547%0.466CS..Hα-helixtrans-87-32.5171.1-173.1-96.8000112.4R363 L365 R377 L378 R379 I385R363-Y381 HydrophobicContact CB-CD1 4.2Å; R363-Y381 HydrophobicContact CB-CE1 3.7Å; R363-Y381 HydrophobicContact CB-CE2 4.47Å; R363-Y381 HydrophobicContact CG-CD1 4.05Å; R363-Y381 HydrophobicContact CG-CE1 3.49Å; R363-Y381 VanDerWaalsContact CG-CE1 3.49Å; L365-Y381 HydrophobicContact CD1-CD1 4.28Å; L365-Y381 HydrophobicContact CD1-CD2 3.85Å; L365-Y381 HydrophobicContact CD1-CE2 4.49Å; L365-Y381 HydrophobicContact CD1-CG 3.71Å; L365-Y381 HydrophobicContact CD2-CD2 4Å; L365-Y381 HydrophobicContact CG-CD2 4.22Å; R377-Y381 WeakPolarHBondContact O-CB 3.29Å; R377-Y381 PolarHBondContact O-N 3.49Å; L378-Y381 PolarHBondContact O-N 3.5Å; R379-Y381 PolarHBondContact O-N 3.39Å; R379-Y381 VanDerWaalsContact O-N 3.09Å; Y381-I385 HydrophobicContact CD1-CD1 3.46Å; Y381-I385 VanDerWaalsContact CD1-CD1 3.46Å; Y381-I385 HydrophobicContact CD2-CD1 4.23Å; Y381-I385 HydrophobicContact CE1-CD1 3.12Å; Y381-I385 HydrophobicContact CE2-CD1 3.96Å; Y381-I385 HydrophobicContact CG-CD1 4.02Å; Y381-I385 VanDerWaalsContact CZ-CD1 3.41Å; Y381-I385 WeakPolarHBondContact O-CD1 3.36Å; Y381-I385 VanDerWaalsContact O-CG1 3.3Å; Y381-I385 WeakPolarHBondContact O-CG1 3.43Å
382Q86.9Confident72.4Confident46 Ų4683.3 Ų83.322%0.21549%0.488CS..Hα-helixtrans-64.6-42.6173.4-170.548.989.400111.9L344 L378 R379 Q384 I385 S386L344-Q382 HydrophobicContact CD1-CB 4.02Å; L344-Q382 HydrophobicContact CD1-CG 4.47Å; L378-Q382 WeakPolarHBondContact O-CB 3.49Å; L378-Q382 PolarHBondContact O-N 3.38Å; R379-Q382 WeakPolarHBondContact O-CA 3.45Å; R379-Q382 WeakPolarHBondContact O-CB 3.42Å; R379-Q382 PolarHBondContact O-N 3.47Å; Q382-Q384 VanDerWaalsContact C-N 3.29Å; Q382-Q384 PolarHBondContact O-N 3.45Å; Q382-I385 PolarHBondContact O-N 3.39Å; Q382-I385 VanDerWaalsContact O-N 3.1Å; Q382-S386 PolarHBondContact O-N 3.29Å
383D79.1Confident69.3Low112 Ų11289 Ų8960%0.59951%0.505SS*.Hα-helixtrans-64.4-34.7-179.4-61.9-31.2000111.7R379 I385R379-D383 PolarHBondContact O-N 2.69Å; D383-I385 VanDerWaalsContact C-N 3.26Å; D383-I385 PolarHBondContact O-N 3Å
384Q71Confident66.3Low163 Ų16389.8 Ų89.876%0.76252%0.523SS*.THydrogen-bonded Turntrans-75.6-7.6175.8-73.6178.88900114.4A380 Q382A380-Q384 PolarHBondContact O-NE2 2.99Å; Q382-Q384 VanDerWaalsContact C-N 3.29Å; Q382-Q384 PolarHBondContact O-N 3.45Å
385I66.8Low63.8Low83 Ų8396 Ų9643%0.42656%0.563SS.*THydrogen-bonded Turntrans-118.114.5-175.1-60170.8000111.2Y381 Q382 D383 P387Y381-I385 HydrophobicContact CD1-CD1 3.46Å; Y381-I385 VanDerWaalsContact CD1-CD1 3.46Å; Y381-I385 HydrophobicContact CD2-CD1 4.23Å; Y381-I385 HydrophobicContact CE1-CD1 3.12Å; Y381-I385 HydrophobicContact CE2-CD1 3.96Å; Y381-I385 HydrophobicContact CG-CD1 4.02Å; Y381-I385 VanDerWaalsContact CZ-CD1 3.41Å; Y381-I385 WeakPolarHBondContact O-CD1 3.36Å; Y381-I385 VanDerWaalsContact O-CG1 3.3Å; Y381-I385 WeakPolarHBondContact O-CG1 3.43Å; Q382-I385 PolarHBondContact O-N 3.39Å; Q382-I385 VanDerWaalsContact O-N 3.1Å; D383-I385 VanDerWaalsContact C-N 3.26Å; D383-I385 PolarHBondContact O-N 3Å; I385-P387 VanDerWaalsContact C-CD 3.41Å; I385-P387 WeakPolarHBondContact O-CD 3.47Å
386S41.9Very low60.6Low83 Ų83100.4 Ų100.458%0.5860%0.601SS**  trans-107.980.1176.7-1650000112.5Q382 V388Q382-S386 PolarHBondContact O-N 3.29Å; S386-V388 PolarHBondContact O-N 2.95Å
387P42.2Very low57.6Low111 Ų11198.9 Ų98.972%0.72161%0.61SS**  trans-76.3118.4170.931.2-32.8000110.4I385 P389I385-P387 VanDerWaalsContact C-CD 3.41Å; I385-P387 WeakPolarHBondContact O-CD 3.47Å; P387-P389 VanDerWaalsContact O-CD 3.29Å; P387-P389 WeakPolarHBondContact O-CD 3.39Å
388V41.1Very low54.6Low141 Ų141103.1 Ų103.186%0.85564%0.642SS**  trans-79.4122.2174.41770000110.4S386S386-V388 PolarHBondContact O-N 2.95Å
389P42.3Very low51.5Low126 Ų126108.8 Ų108.882%0.81868%0.682SS**  trans-118.9109.7178.526.9-6.3000112.9P387P387-P389 VanDerWaalsContact O-CD 3.29Å; P387-P389 WeakPolarHBondContact O-CD 3.39Å
390G32Very low48.6Very low81 Ų81109.9 Ų109.984%0.83570%0.695SS**  trans-179.4123.8172.400000112.5
391A36.8Very low45.7Very low98 Ų98114.1 Ų114.181%0.8171%0.71SS**  trans-133.9-172.6-171.400000109.7
392P51.6Low42.8Very low121 Ų121120.5 Ų120.579%0.78674%0.742SS**  cis-145.1159.4441.5-22.5000118.6
393K28.6Very low40Very low214 Ų214127.4 Ų127.493%0.9377%0.771SS**  -168.8151.9124.8-123.5174179.8175.40112.2
394A31.5Very low37.8Very low86 Ų86127.1 Ų127.171%0.71179%0.785SS**  trans-125.5-174.3175.900000109
395P44.1Very low35.8Very low130 Ų130122.9 Ų122.984%0.84478%0.784SS**  cis-80.8-160.81039.8-41.3000112.1
396A27.2Very low33.9Very low98 Ų98128.3 Ų128.381%0.8181%0.808SS**  cis-150.9-172.39.900000112.2
397A31.8Very low33.4Very low96 Ų96130.1 Ų130.179%0.79382%0.815SS**  trans-148.7148.8179.200000114.5
398T31.8Very low32.7Very low141 Ų141131.6 Ų131.687%0.86582%0.822SS**  trans-149.6139.3151.341.30000109.3
399S27.9Very low32.3Very low119 Ų119131.2 Ų131.283%0.83282%0.819SS**  trans-147124.1171.5177.60000109.1
400I29.8Very low31.7Very low148 Ų148129.6 Ų129.676%0.75982%0.817SS**  trans-136.8102.4-179.5-63.1-175.4000109.7
401L27.5Very low31.8Very low140 Ų140135.2 Ų135.273%0.73382%0.819SS**  40.9117.6129.5-171.871.7000119.2
402H27.6Very low31.6Very low193 Ų193136.9 Ų136.989%0.89482%0.821SS**  trans-120139.6147.1-89.6-113.8000110.2
403K27.6Very low30.4Very low191 Ų191135.7 Ų135.783%0.8382%0.822SS**  trans-119.4149176-168.882172-173.10107.7
404A32.2Very low30.4Very low107 Ų107129.9 Ų129.988%0.88481%0.813SS**  trans-71.9150-172.300000113.9
405G30.5Very low30.4Very low73 Ų73136.7 Ų136.775%0.75382%0.821SS**  trans-176.299.1174.700000114
406E25.8Very low29.7Very low197 Ų197138.2 Ų138.292%0.92182%0.821SS**  trans69.9150.1150.8-145.8158.816300122.9
407V30.9Very low29.7Very low122 Ų122138 Ų13874%0.73981%0.813SS**  trans-59.5142.4-171.7173.40000116
408V28.2Very low29.7Very low142 Ų142139.7 Ų139.786%0.86181%0.814SS**  trans-168.4155.1130135.60000111.6
409V32.2Very low29.8Very low132 Ų132136 Ų13680%0.880%0.804SS**  trans-106.1133.6-175.3174.90000111.5
410A29.4Very low30.7Very low92 Ų92136.5 Ų136.576%0.7680%0.804SS**  trans-169154.715000000113.2
411F33.9Very low30.6Very low200 Ų200133.8 Ų133.888%0.87780%0.804SS**  trans-87.8148.2169.1-63.1-103.7000111.2
412P33.7Very low30.9Very low133 Ų133135 Ų13586%0.86481%0.81SS**  trans-94.9125.1163.433.3-27.8000111.6
413A26.3Very low31Very low96 Ų96133.4 Ų133.479%0.79381%0.813SS**  trans-127.6131.1170.900000111.4
414A28.9Very low31.1Very low91 Ų91129.4 Ų129.475%0.75282%0.816SS**  trans42.1117152.500000122.1
415R31.5Very low30.9Very low230 Ų230129.6 Ų129.687%0.86882%0.818SS**  trans82.3162.1135.2-70.3-178.6170.6-123.40.8121.2
416L28.6Very low30.8Very low161 Ų161129.3 Ų129.384%0.84382%0.815SS**  trans81.3158.1164-50.7-176.1000117.4
417S28.2Very low31.1Very low93 Ų93128.8 Ų128.865%0.6582%0.818SS**  cis-173.7147.9-40.6-165.50000109.8
418T32.2Very low31.1Very low133 Ų133127.4 Ų127.482%0.81682%0.819SS**  trans64.4143.1157-24.50000119
419G32.8Very low31.9Very low63 Ų63126.3 Ų126.365%0.64981%0.814SS**  trans-90.4-148158.600000111.3
420P46.3Very low31.8Very low130 Ų130124.1 Ų124.184%0.84481%0.811SS**  cis-132.3-174.61.742.9-26.9000114.1
421A28.2Very low32Very low90 Ų90128.6 Ų128.674%0.74482%0.816SS**  155.2117.1127.600000116.3
422L33.6Very low31.8Very low167 Ų167124.5 Ų124.587%0.87481%0.807SS**  trans33.1123.8134.6-45.4-179.5000122.6
423V31Very low31.6Very low158 Ų158125.1 Ų125.196%0.95881%0.808SS**  -158.2161.9120.3-99.10000109.5
424A28.5Very low31.7Very low107 Ų107126 Ų12688%0.88480%0.803SS**  trans-138.1142.9-166.900000115.6
425A29.2Very low31.7Very low111 Ų111126.6 Ų126.692%0.91781%0.808SS**  trans-166.4152.4155.900000107.4
426G28Very low31.6Very low68 Ų68121 Ų12170%0.70180%0.799SS**  cis151.8140.8-3.300000110.7
427L31.5Very low31.6Very low186 Ų186120.1 Ų120.197%0.97480%0.801SS**  trans79.7155.8178.4-48.2178.2000117.7
428A31Very low31.7Very low92 Ų92119.8 Ų119.876%0.7680%0.804SS**  trans-155.8-163.6-174.600000106.7
429P44.4Very low31.6Very low119 Ų119119 Ų11977%0.77380%0.803SS**  cis-135.2-162.5-9.443.2-24.7000113.8
430A30.3Very low31.5Very low87 Ų87121.7 Ų121.772%0.71981%0.812SS**  trans74.3122.8154.200000120.9
431E34.6Very low30.9Very low186 Ų186118.9 Ų118.987%0.86981%0.807SS**  -158.3162.7110.6-102.4-72.580.500109
432V29.2Very low31.3Very low114 Ų114121.9 Ų121.969%0.69182%0.816SS**  trans-123.6127.8-167.6175.50000113.3
433V30.3Very low31.7Very low146 Ų146120.8 Ų120.889%0.88582%0.816SS**  trans-139.8138.9153.5-1790000110
434V27.1Very low31.8Very low113 Ų113118.4 Ų118.469%0.68579%0.792SS**  trans-102.6140180169.70000110.9T436V434-T436 HydrophobicContact CG1-CG2 3.68Å
435A28.4Very low32.2Very low104 Ų104121.1 Ų121.186%0.8679%0.785SS**  trans-139.8141.215800000109.2
436T29.8Very low32.4Very low112 Ų112119.3 Ų119.369%0.68778%0.776SS**  trans-130.6152.3-163.351.30000113.4V434V434-T436 HydrophobicContact CG1-CG2 3.68Å
437V28.6Very low33Very low144 Ų144120.6 Ų120.687%0.87378%0.775SS**  trans71.9141.5162.7165.40000113.2
438A30.8Very low33.4Very low86 Ų86118 Ų11871%0.71177%0.767SS**  cis-132.5170.225.400000117
439S29.5Very low34.2Very low115 Ų115117.8 Ų117.880%0.80477%0.773SS**  trans-69.3176.5161.760.10000111.4
440S30.8Very low33.7Very low120 Ų120117.4 Ų117.484%0.83977%0.773SS**  cis-152.2157.411.555.60000110.5
441G33.8Very low34.2Very low72 Ų72119.3 Ų119.374%0.74278%0.776SS**  trans174.368.5177.400000115.5V443G441-V443 PolarHBondContact O-N 3.21Å
442V37Very low35Very low152 Ų152115.8 Ų115.892%0.92177%0.769SS**  trans-75.9112.2171.7-78.50000110.7
443V41Very low35.7Very low144 Ų144116.4 Ų116.487%0.87378%0.776SS**  trans-107144.4164-67.90000109.9G441G441-V443 PolarHBondContact O-N 3.21Å
444K34.3Very low35.8Very low108 Ų108116 Ų11647%0.4777%0.773SS.*  trans-119.6136.2-154.6-173.2-170.1179.176.90110.8P108 V110 G446P108-K444 WeakPolarHBondContact O-CE 3.46Å; P108-K444 PolarHBondContact O-NZ 3.26Å; V110-K444 HydrophobicContact CG1-CD 4.19Å; V110-K444 VanDerWaalsContact CG1-CE 3.45Å; K444-G446 PolarHBondContact O-N 2.87Å
445F37.3Very low35.9Very low165 Ų165115.1 Ų115.172%0.72477%0.772SS**  trans-61.6128.3170.2-69.9-88.4000110.6Y107Y107-F445 HydrophobicContact CD1-CB 4.11Å; Y107-F445 HydrophobicContact CE1-CB 4.02Å
446G33Very low36.3Very low72 Ų72116.1 Ų116.174%0.74277%0.77SS**  trans-134.998.8176.200000110K444K444-G446 PolarHBondContact O-N 2.87Å
447S40.6Very low36.6Very low96 Ų96116.6 Ų116.667%0.67177%0.773SS**  trans-85.8121.4170.9-64.10000109.7
448T40.5Very low36.8Very low132 Ų132115.8 Ų115.881%0.8177%0.771SS**  trans-125.6117.4160.645.90000109
449G46.4Very low36.9Very low86 Ų86117.1 Ų117.189%0.88778%0.775SS**  trans-71.9129.9165.800000108.9
450S33.5Very low37Very low111 Ų111120.5 Ų120.578%0.77678%0.778SS**  trans-145.5129.1172.8-172.90000109.5
451T42.4Very low37.1Very low127 Ų127126 Ų12678%0.77978%0.78SS**PPolyproline II helixtrans-67.3135.9-179.738.80000111.7
452P50.4Low37Very low112 Ų112126.7 Ų126.773%0.72777%0.774SS**PPolyproline II helixtrans-67.8147.1166.630.8-34.1000110.4
453P43Very low36.8Very low127 Ų127127.1 Ų127.183%0.82577%0.77SS**PPolyproline II helixtrans-70.8136.7-17828.4-34.7000112.1S455P453-S455 PolarHBondContact O-N 3.5Å
454V32.5Very low36.4Very low138 Ų138128.3 Ų128.384%0.83677%0.77SS**PPolyproline II helixtrans-71.3120.9173.8176.30000109.9
455S30.3Very low36.3Very low95 Ų95128.4 Ų128.466%0.66479%0.785SS**PPolyproline II helixtrans-69.9134169.654.10000110.7P453 T457P453-S455 PolarHBondContact O-N 3.5Å; S455-T457 PolarHBondContact O-N 3.24Å
456P37.2Very low36.3Very low125 Ų125127.2 Ų127.281%0.81279%0.791SS**PPolyproline II helixtrans-69.8118-171.727-34.8000112.7
457T34.5Very low36.4Very low122 Ų122127.5 Ų127.575%0.74879%0.794SS**PPolyproline II helixtrans-73.2128.8166.749.80000110.4S455 S459S455-T457 PolarHBondContact O-N 3.24Å; T457-S459 PolarHBondContact O-N 2.91Å
458P33.5Very low36.1Very low127 Ų127130.1 Ų130.183%0.82580%0.801SS**  trans-73.292.5169.630.5-32.5000109.2
459S32.5Very low36.5Very low114 Ų114132.7 Ų132.780%0.79780%0.803SS**  trans-66.7140176.7-164.90000111T457T457-S459 PolarHBondContact O-N 2.91Å
460E32.4Very low36Very low185 Ų185134.8 Ų134.886%0.86479%0.794SS**  trans-69132.8-175.8-63.2-177.1110.200111.1S462E460-S462 PolarHBondContact O-N 3.49Å
461R33.8Very low36Very low236 Ų236134.4 Ų134.489%0.89179%0.792SS**  trans-75.596.6175.7-168.9177.6-165.9148.35.6109.5L463R461-L463 PolarHBondContact O-N 2.89Å
462S30.4Very low35.7Very low86 Ų86134.6 Ų134.660%0.60179%0.793SS**  trans-49.6130.9172.7-179.60000111.8E460 L464E460-S462 PolarHBondContact O-N 3.49Å; S462-L464 PolarHBondContact OG-N 3.07Å
463L33.7Very low35.9Very low161 Ų161135.4 Ų135.484%0.84380%0.798SS**  trans-129.265.7160.2-74.6-179.1000108.9R461 S465R461-L463 PolarHBondContact O-N 2.89Å; L463-S465 PolarHBondContact O-N 3.21Å
464L32.1Very low35.4Very low169 Ų169133.1 Ų133.189%0.88580%0.797SS**  trans-72.9107.2154.4-68.5177.3000108.2S462S462-L464 PolarHBondContact OG-N 3.07Å
465S32.2Very low35.6Very low111 Ų111132.6 Ų132.678%0.77679%0.79SS**  trans-124.2134159.3-173.60000107.8L463L463-S465 PolarHBondContact O-N 3.21Å
466T36.6Very low36.3Very low140 Ų140134.3 Ų134.386%0.85980%0.797SS**  trans-63.914017848.70000110.6
467G35.3Very low36.5Very low78 Ų78137.4 Ų137.480%0.80480%0.798SS**  trans-107.8-176.5-176.800000114.5
468D35.1Very low36.9Very low150 Ų150134.7 Ų134.780%0.80279%0.794SS**  trans-141.2163.6167.764.4-36.3000110.2
469E48.3Very low37.2Very low186 Ų186137.4 Ų137.487%0.86980%0.796SS**  trans-87.1137.7175.1-79-160.588.100111.9
470N35.8Very low37.7Very low130 Ų130140.3 Ų140.370%0.69580%0.799SS**  180169.6117.963.8101.5000113
471S32.9Very low37.8Very low104 Ų104137.8 Ų137.873%0.72780%0.796SS**  trans74.696.3159.3-62.20000120
472T38.1Very low37.8Very low131 Ų131132.4 Ų132.480%0.80479%0.789SS**  trans-65.5176.9143.755.60000112.1
473P53.4Low37.8Very low129 Ų129133.8 Ų133.884%0.83880%0.799SS**  -122.3173.7-54.337.4-23.5000110.9
474G31.8Very low38.2Very low78 Ų78132 Ų13280%0.80480%0.797SS**  trans-151.8121.5177.200000113.9
475D38.2Very low38.2Very low127 Ų127131.6 Ų131.668%0.67980%0.795SS**  trans-81143.8178.8179.127.5000112.3F477D475-F477 WeakPolarHBondContact OD1-CD2 3.28Å
476T45Very low38.3Very low132 Ų132132 Ų13281%0.8179%0.793SS**  trans-156.2101.5158.8-64.60000109.7G478T476-G478 PolarHBondContact O-N 3.21Å
477F40Very low38.1Very low189 Ų189134.3 Ų134.383%0.82979%0.794SS**  trans-58.9128.3166.4-87.7-112000111.2D475D475-F477 WeakPolarHBondContact OD1-CD2 3.28Å
478G43.4Very low37.8Very low65 Ų65138.4 Ų138.467%0.6780%0.797SS**  trans-15475.3-17600000114.1T476T476-G478 PolarHBondContact O-N 3.21Å
479E39.5Very low37.5Very low185 Ų185137.7 Ų137.786%0.86480%0.797SS**  trans35.683.7151.4-163.7169.5-169.500118.4
480M43.3Very low36.5Very low174 Ų174136.7 Ų136.786%0.85780%0.797SS**  trans-96.699.2165.4-71.5-163.6-64.700111.8
481V35.3Very low36.2Very low133 Ų133139.1 Ų139.181%0.80681%0.805SS**  trans-116.391.5162.1-1760000108.6
482T34Very low36.1Very low122 Ų122138.3 Ų138.375%0.74880%0.804SS**  trans-103.5115-173.2-53.20000111.7
483S29.5Very low35.6Very low116 Ų116137.6 Ų137.681%0.81181%0.805SS**  trans-156.3153.4156.9-85.50000110.6
484P42.7Very low34.9Very low123 Ų123136.7 Ų136.780%0.79980%0.799SS**  trans-109.9150.1-13737.8-33.5000115.3
485L30.8Very low34.9Very low160 Ų160141.3 Ų141.384%0.83880%0.804SS**  trans-149137.2155.8-160.554.9000112.2
486T34.7Very low34.6Very low119 Ų119144.1 Ų144.173%0.7381%0.813SS**  trans-4.3121.517453.30000119.7
487Q32.1Very low33.8Very low190 Ų190145.6 Ų145.689%0.88881%0.814SS**  trans-82.3120.3150.8-67.9-176.11300110.1
488L29Very low33.4Very low164 Ų164144.1 Ų144.186%0.85981%0.814SS**  trans-141.692.6154-82.1-177000108.5
489T29Very low32.8Very low134 Ų134147.3 Ų147.382%0.82282%0.82SS**  trans-118.9104.3170.3-57.80000107.9
490L28.1Very low32.7Very low166 Ų166147.8 Ų147.887%0.86982%0.819SS**  trans-92.9124.8166.5-75.7177.3000109.8
491Q29.8Very low32.7Very low181 Ų181147.8 Ų147.885%0.84682%0.817SS**  trans-60.6141.2164.9-79.7-78.36.300110.4
492A29.8Very low32.5Very low87 Ų87150.1 Ų150.172%0.71982%0.819SS**  trans-155.876.917900000114
493S28Very low32.4Very low116 Ų116146.7 Ų146.781%0.81181%0.808SS**  trans175.1163152.5-89.70000111.6
494P39.2Very low33.1Very low110 Ų110146.6 Ų146.671%0.71481%0.805SS**  cis-125.2161.6-14.237.4-24.1000113.1
495L30.7Very low32.6Very low175 Ų175151.9 Ų151.992%0.91681%0.809SS**  trans-138.4143148-84.9-175.3000110.6
496Q32.9Very low32.7Very low185 Ų185149.4 Ų149.486%0.86481%0.812SS**  trans-84.6132.4-176.8-61.8-8856.900109.9
497I28.9Very low32.5Very low163 Ų163147.8 Ų147.884%0.83682%0.818SS**  trans-103.9109.3157.6-66.4-179.4000107.4V499I497-V499 PolarHBondContact O-N 3.15Å
498L30.9Very low32.6Very low158 Ų158144.1 Ų144.183%0.82781%0.814SS**  trans-66.2124.7170.8178.168.1000108.8K500L498-K500 PolarHBondContact O-N 3.12Å
499V30.8Very low32.4Very low132 Ų132141.9 Ų141.980%0.881%0.81SS**  trans-74.6120.6170.11770000108.7I497I497-V499 PolarHBondContact O-N 3.15Å
500K36.6Very low33Very low195 Ų195141.4 Ų141.485%0.84881%0.811SS**  trans-139108.6147.5-164.1163.6-176.1-178.50112.1L498L498-K500 PolarHBondContact O-N 3.12Å
501E44.8Very low33.2Very low174 Ų174141.7 Ų141.781%0.81381%0.813SS**  trans-39.7127.2157.7170.7-172.3-168.200113.8
502E30.3Very low34.1Very low182 Ų182138.6 Ų138.685%0.8581%0.811SS**  -166.9174.3118.2-138.9-150.3102.100112.5
503G31.3Very low34.8Very low50 Ų50140.6 Ų140.652%0.51582%0.817SS.*  trans171.5155.7170.900000108.4
504P44.2Very low35.4Very low114 Ų114138.3 Ų138.374%0.7481%0.811SS**  -158.1-175.365.439.4-17.1000117.9
505R32.1Very low35.5Very low235 Ų235135.9 Ų135.989%0.88781%0.806SS**  trans88.8102.1155.6-63.1-174.3-178.9-143.4-1.8121.2
506A34.1Very low35.9Very low108 Ų108139.7 Ų139.789%0.89381%0.808SS**  61.3103.9119.800000120.8
507G30.2Very low36.6Very low84 Ų84135 Ų13587%0.86680%0.802SS**  trans-137.7157.115300000109.1
508S33.5Very low37.3Very low114 Ų114131.2 Ų131.280%0.79778%0.78SS**  trans-128.4168.1-165.9-167.80000114
509C25.5Very low38.2Very low116 Ų116131.1 Ų131.178%0.78478%0.78SS**  trans78.7109.8165-56.70000117.9
510C42.3Very low39Very low124 Ų124130.8 Ų130.884%0.83877%0.769SS**  trans-77.6148.6156.3-43.60000110.2
511L31.6Very low39.7Very low173 Ų173123.4 Ų123.491%0.90675%0.748SS**  trans-144.5133.4154-77.6-177.1000110.8
512S49Very low40.1Very low116 Ų116122.7 Ų122.781%0.81174%0.738SS**  trans-143.8148.6170.3-53.80000108.6
513P44.1Very low41.9Very low129 Ų129117.9 Ų117.984%0.83872%0.718SS**  -138.6164.711835.6-23000111
514G39.5Very low43.9Very low67 Ų67120.8 Ų120.869%0.69172%0.717SS**  cis131.6146.914.400000108.4
515G43.1Very low46Very low59 Ų59120.5 Ų120.561%0.60871%0.709SS**  cis-177.6145.9-6.600000111.2
516R37.9Very low48.8Very low256 Ų256115.6 Ų115.697%0.96670%0.696SS**SBendtrans-159.5-17.2156.7-129.9-178.5-176-122.8-3.9115.2E518R516-E518 VanDerWaalsContact C-N 3.26Å
517A49Very low51.5Low87 Ų87114.7 Ų114.772%0.71968%0.675SS**SBendtrans-84.82.6162.800000113.1L519 G521A517-L519 PolarHBondContact O-N 3.12Å; A517-G521 PolarHBondContact O-N 2.72Å
518E42.8Very low54.5Low82 Ų82115.5 Ų115.538%0.38366%0.658SS.*Hα-helixtrans-71.2-33.8-163.5-161.8-177.8131.200113.9R516 G521 R522R516-E518 VanDerWaalsContact C-N 3.26Å; E518-G521 PolarHBondContact O-N 3.45Å; E518-R522 HydrophobicContact CG-CG 4.4Å; E518-R522 WeakPolarHBondContact O-CB 3.31Å; E518-R522 VanDerWaalsContact O-CG 3.31Å; E518-R522 WeakPolarHBondContact O-CG 3.34Å; E518-R522 PolarHBondContact O-N 3.39Å; E518-R522 IonicContact OE1-CZ 3.19Å; E518-R522 IonicContact OE1-NE 2.83Å; E518-R522 PolarHBondContact OE1-NE 3.39Å; E518-R522 IonicContact OE1-NH2 2.7Å; E518-R522 PolarHBondContact OE1-NH2 2.92Å
519L48.6Very low57.2Low156 Ų156116.5 Ų116.582%0.81765%0.65SS**Hα-helixtrans-66.5-45.3-175.9-164.470.4000112A517 D523A517-L519 PolarHBondContact O-N 3.12Å; L519-D523 PolarHBondContact O-N 2.9Å
520E47.8Very low60.5Low126 Ų126115.5 Ų115.559%0.58963%0.634SS**Hα-helixtrans-80.5-23179.7-155.9-173.7131.800112.4K524E520-K524 WeakPolarHBondContact O-CD 3.38Å; E520-K524 WeakPolarHBondContact O-CG 3.46Å; E520-K524 PolarHBondContact O-N 3.05Å; E520-K524 WeakPolarHBondContact OE1-CE 3.24Å; E520-K524 IonicContact OE1-NZ 2.6Å; E520-K524 PolarHBondContact OE1-NZ 3.28Å
521G52Low63Low39 Ų39114.7 Ų114.740%0.40262%0.617SS.*Hα-helixtrans-67.9-48.2169.600000112A517 E518 D523 K524 D525A517-G521 PolarHBondContact O-N 2.72Å; E518-G521 PolarHBondContact O-N 3.45Å; G521-D523 VanDerWaalsContact C-N 3.34Å; G521-D523 PolarHBondContact O-N 2.99Å; G521-K524 PolarHBondContact O-N 3.34Å; G521-D525 WeakPolarHBondContact O-CB 3.3Å; G521-D525 PolarHBondContact O-N 2.97Å
522R54Low66Low159 Ų159110.7 Ų110.760%0.660%0.596SS**Hα-helixtrans-62.3-37.9176.8-73.5179-175.7-74.22.9112.6E518 D525 Q526E518-R522 HydrophobicContact CG-CG 4.4Å; E518-R522 WeakPolarHBondContact O-CB 3.31Å; E518-R522 VanDerWaalsContact O-CG 3.31Å; E518-R522 WeakPolarHBondContact O-CG 3.34Å; E518-R522 PolarHBondContact O-N 3.39Å; E518-R522 IonicContact OE1-CZ 3.19Å; E518-R522 IonicContact OE1-NE 2.83Å; E518-R522 PolarHBondContact OE1-NE 3.39Å; E518-R522 IonicContact OE1-NH2 2.7Å; E518-R522 PolarHBondContact OE1-NH2 2.92Å; R522-D525 PolarHBondContact O-N 2.91Å; R522-Q526 WeakPolarHBondContact O-CB 3.28Å; R522-Q526 PolarHBondContact O-N 3.4Å
523D66.7Low68.3Low81 Ų81110.7 Ų110.743%0.43358%0.581SS.*Hα-helixtrans-61.9-44.7175.8-178.675.2000112.1L519 G521 Q526 M527L519-D523 PolarHBondContact O-N 2.9Å; G521-D523 VanDerWaalsContact C-N 3.34Å; G521-D523 PolarHBondContact O-N 2.99Å; D523-Q526 PolarHBondContact O-N 2.67Å; D523-M527 WeakPolarHBondContact O-CB 3.45Å; D523-M527 WeakPolarHBondContact O-CG 3.3Å; D523-M527 PolarHBondContact O-N 2.63Å; D523-M527 VanDerWaalsContact OD2-CE 3.31Å; D523-M527 WeakPolarHBondContact OD2-CE 3.32Å
524K74.6Confident70.7Confident111 Ų111108.4 Ų108.448%0.48356%0.56SS.*Hα-helixtrans-69.1-38.3177.6-70.6167.7-171.4166.90113E520 G521 M527 L528E520-K524 WeakPolarHBondContact O-CD 3.38Å; E520-K524 WeakPolarHBondContact O-CG 3.46Å; E520-K524 PolarHBondContact O-N 3.05Å; E520-K524 WeakPolarHBondContact OE1-CE 3.24Å; E520-K524 IonicContact OE1-NZ 2.6Å; E520-K524 PolarHBondContact OE1-NZ 3.28Å; G521-K524 PolarHBondContact O-N 3.34Å; K524-M527 HydrophobicContact CG-CE 4.09Å; K524-M527 PolarHBondContact O-N 2.97Å; K524-L528 WeakPolarHBondContact O-CB 3.49Å; K524-L528 PolarHBondContact O-N 3.36Å
525D86.9Confident73.5Confident109 Ų109109.8 Ų109.858%0.58355%0.55SS**Hα-helixtrans-66.6-41.8174.9-167.855.3000111.5G521 R522 L528 Q529G521-D525 WeakPolarHBondContact O-CB 3.3Å; G521-D525 PolarHBondContact O-N 2.97Å; R522-D525 PolarHBondContact O-N 2.91Å; D525-L528 WeakPolarHBondContact O-CB 3.23Å; D525-L528 PolarHBondContact O-N 3.16Å; D525-Q529 WeakPolarHBondContact O-CB 3.42Å; D525-Q529 PolarHBondContact O-N 3.14Å
526Q90.8Very high76Confident131 Ų131112.5 Ų112.561%0.61255%0.547SS*.Hα-helixtrans-66.3-39.2173.5-178.5163.47600112.3R522 D523 L528 Q529 E530R522-Q526 WeakPolarHBondContact O-CB 3.28Å; R522-Q526 PolarHBondContact O-N 3.4Å; D523-Q526 PolarHBondContact O-N 2.67Å; Q526-L528 VanDerWaalsContact C-N 3.32Å; Q526-L528 PolarHBondContact O-N 3.18Å; Q526-Q529 PolarHBondContact O-N 2.77Å; Q526-E530 WeakPolarHBondContact O-CB 3.42Å; Q526-E530 PolarHBondContact O-N 3.23Å
527M91Very high78.9Confident90 Ų90103 Ų10344%0.44352%0.524SS..Hα-helixtrans-63.4-35.8171.4-83.5-164-7100112.7D523 K524 K531D523-M527 WeakPolarHBondContact O-CB 3.45Å; D523-M527 WeakPolarHBondContact O-CG 3.3Å; D523-M527 PolarHBondContact O-N 2.63Å; D523-M527 VanDerWaalsContact OD2-CE 3.31Å; D523-M527 WeakPolarHBondContact OD2-CE 3.32Å; K524-M527 HydrophobicContact CG-CE 4.09Å; K524-M527 PolarHBondContact O-N 2.97Å; M527-K531 WeakPolarHBondContact O-CB 3.38Å; M527-K531 WeakPolarHBondContact O-CG 3.15Å; M527-K531 PolarHBondContact O-N 3.38Å; M527-K531 VanDerWaalsContact O-N 3.11Å
528L93.3Very high81.1Confident100 Ų100103.9 Ų103.952%0.52452%0.516SS..Hα-helixtrans-67.3-49.3174.4-18061.2000110.5K524 D525 Q526 E530 K531 D532K524-L528 WeakPolarHBondContact O-CB 3.49Å; K524-L528 PolarHBondContact O-N 3.36Å; D525-L528 WeakPolarHBondContact O-CB 3.23Å; D525-L528 PolarHBondContact O-N 3.16Å; Q526-L528 VanDerWaalsContact C-N 3.32Å; Q526-L528 PolarHBondContact O-N 3.18Å; L528-E530 VanDerWaalsContact C-N 3.33Å; L528-E530 PolarHBondContact O-N 2.88Å; L528-K531 WeakPolarHBondContact O-CA 3.48Å; L528-K531 WeakPolarHBondContact O-CB 3.38Å; L528-K531 PolarHBondContact O-N 2.88Å; L528-D532 PolarHBondContact O-N 2.97Å
529Q91.9Very high83.7Confident135 Ų135102.6 Ų102.663%0.63151%0.513SS*.Hα-helixtrans-59.6-40178.1-174175.770.200112.7D525 Q526 D532 K533D525-Q529 WeakPolarHBondContact O-CB 3.42Å; D525-Q529 PolarHBondContact O-N 3.14Å; Q526-Q529 PolarHBondContact O-N 2.77Å; Q529-D532 PolarHBondContact O-N 3.25Å; Q529-K533 VanDerWaalsContact O-CB 3.24Å; Q529-K533 WeakPolarHBondContact O-CB 3.21Å; Q529-K533 PolarHBondContact O-N 3.47Å
530E93.7Very high86Confident96 Ų96102.7 Ų102.745%0.44950%0.503SS..Hα-helixtrans-70.2-31.6175.2-168.259.2-136.600111.9Q526 L528 K533 Q534Q526-E530 WeakPolarHBondContact O-CB 3.42Å; Q526-E530 PolarHBondContact O-N 3.23Å; L528-E530 VanDerWaalsContact C-N 3.33Å; L528-E530 PolarHBondContact O-N 2.88Å; E530-K533 IonicContact OE1-NZ 2.66Å; E530-K533 PolarHBondContact OE1-NZ 3.29Å; E530-K533 IonicContact OE2-NZ 2.65Å; E530-K533 PolarHBondContact OE2-NZ 2.86Å; E530-Q534 VanDerWaalsContact O-CB 3.26Å; E530-Q534 WeakPolarHBondContact O-CB 3.3Å; E530-Q534 PolarHBondContact O-N 3.35Å
531K94.9Very high88.4Confident107 Ų107101 Ų10147%0.46550%0.496SS..Hα-helixtrans-68.8-42.6173.2-69.9-82.815244.20111.6M527 L528 Q534 I535M527-K531 WeakPolarHBondContact O-CB 3.38Å; M527-K531 WeakPolarHBondContact O-CG 3.15Å; M527-K531 PolarHBondContact O-N 3.38Å; M527-K531 VanDerWaalsContact O-N 3.11Å; L528-K531 WeakPolarHBondContact O-CA 3.48Å; L528-K531 WeakPolarHBondContact O-CB 3.38Å; L528-K531 PolarHBondContact O-N 2.88Å; K531-Q534 CarbonylContact O-C 3.6Å; K531-Q534 WeakPolarHBondContact O-CB 2.75Å; K531-Q534 PolarHBondContact O-N 2.81Å; K531-I535 WeakPolarHBondContact O-CB 3.23Å; K531-I535 VanDerWaalsContact O-CG1 3.24Å; K531-I535 WeakPolarHBondContact O-CG1 3.42Å; K531-I535 PolarHBondContact O-N 3.49Å
532D94.8Very high90.5Very high88 Ų88104.8 Ų104.847%0.47151%0.507SS..Hα-helixtrans-64.7-41.2175.2-73.8-28.1000111.7L528 Q529 Q534 I535 E536L528-D532 PolarHBondContact O-N 2.97Å; Q529-D532 PolarHBondContact O-N 3.25Å; D532-Q534 VanDerWaalsContact C-N 3.33Å; D532-Q534 PolarHBondContact O-N 3.44Å; D532-I535 CarbonylContact O-C 3.58Å; D532-I535 WeakPolarHBondContact O-CB 3.39Å; D532-I535 PolarHBondContact O-N 3Å; D532-E536 PolarHBondContact O-N 3.08Å
533K97Very high92.5Very high116 Ų116105.6 Ų105.650%0.50451%0.509SS..Hα-helixtrans-61.3-38.2171.3172.7162.5158.7-86.60112.5Q529 E530 E536 A537Q529-K533 VanDerWaalsContact O-CB 3.24Å; Q529-K533 WeakPolarHBondContact O-CB 3.21Å; Q529-K533 PolarHBondContact O-N 3.47Å; E530-K533 IonicContact OE1-NZ 2.66Å; E530-K533 PolarHBondContact OE1-NZ 3.29Å; E530-K533 IonicContact OE2-NZ 2.65Å; E530-K533 PolarHBondContact OE2-NZ 2.86Å; K533-E536 PolarHBondContact O-N 3.4Å; K533-A537 WeakPolarHBondContact O-CB 3.48Å; K533-A537 PolarHBondContact O-N 3.43Å
534Q95.4Very high93.9Very high82 Ų82107.2 Ų107.238%0.38352%0.515SS..Hα-helixtrans-69.3-37.2173.6-168.1173.762.800111.9E530 K531 D532 A537 L538E530-Q534 VanDerWaalsContact O-CB 3.26Å; E530-Q534 WeakPolarHBondContact O-CB 3.3Å; E530-Q534 PolarHBondContact O-N 3.35Å; K531-Q534 CarbonylContact O-C 3.6Å; K531-Q534 WeakPolarHBondContact O-CB 2.75Å; K531-Q534 PolarHBondContact O-N 2.81Å; D532-Q534 VanDerWaalsContact C-N 3.33Å; D532-Q534 PolarHBondContact O-N 3.44Å; Q534-A537 PolarHBondContact O-N 3Å; Q534-L538 HydrophobicContact CG-CD1 4.34Å; Q534-L538 WeakPolarHBondContact O-CB 3.32Å; Q534-L538 WeakPolarHBondContact O-CG 3.42Å; Q534-L538 PolarHBondContact O-N 2.94Å
535I96.4Very high94.9Very high96 Ų96107.6 Ų107.649%0.49252%0.516SS..Hα-helixtrans-65.5-41.7172.8-70.9162000111K531 D532 L538 T539K531-I535 WeakPolarHBondContact O-CB 3.23Å; K531-I535 VanDerWaalsContact O-CG1 3.24Å; K531-I535 WeakPolarHBondContact O-CG1 3.42Å; K531-I535 PolarHBondContact O-N 3.49Å; D532-I535 CarbonylContact O-C 3.58Å; D532-I535 WeakPolarHBondContact O-CB 3.39Å; D532-I535 PolarHBondContact O-N 3Å; I535-L538 PolarHBondContact O-N 3.2Å; I535-T539 VanDerWaalsContact O-CB 3.24Å; I535-T539 WeakPolarHBondContact O-CB 3.49Å; I535-T539 PolarHBondContact O-N 2.93Å; I535-T539 PolarHBondContact O-OG1 2.91Å
536E97.3Very high95.4Very high116 Ų116108 Ų10854%0.54251%0.514SS..Hα-helixtrans-63-47.2174.7-161.6-147.9134.400110.7D532 K533 L538 T539 R540D532-E536 PolarHBondContact O-N 3.08Å; K533-E536 PolarHBondContact O-N 3.4Å; E536-L538 PolarHBondContact O-N 3.38Å; E536-T539 WeakPolarHBondContact O-CB 3.2Å; E536-T539 PolarHBondContact O-N 3.32Å; E536-R540 WeakPolarHBondContact O-CB 3.44Å; E536-R540 PolarHBondContact O-N 2.94Å; E536-R540 IonicContact OE1-NH1 3.16Å
537A97Very high95.6Very high57 Ų57107.7 Ų107.747%0.47151%0.513SS..Hα-helixtrans-61-43.2177.900000112.5K533 Q534 R540 M541K533-A537 WeakPolarHBondContact O-CB 3.48Å; K533-A537 PolarHBondContact O-N 3.43Å; Q534-A537 PolarHBondContact O-N 3Å; A537-R540 PolarHBondContact O-N 3.21Å; A537-M541 PolarHBondContact O-N 3.35Å
538L96.1Very high95.8Very high105 Ų105107.5 Ų107.555%0.5551%0.514SS..Hα-helixtrans-63-43.7173.1-83.4162.3000111.8Q534 I535 E536 R540 M541 L542Q534-L538 HydrophobicContact CG-CD1 4.34Å; Q534-L538 WeakPolarHBondContact O-CB 3.32Å; Q534-L538 WeakPolarHBondContact O-CG 3.42Å; Q534-L538 PolarHBondContact O-N 2.94Å; I535-L538 PolarHBondContact O-N 3.2Å; E536-L538 PolarHBondContact O-N 3.38Å; L538-R540 VanDerWaalsContact C-N 3.33Å; L538-R540 PolarHBondContact O-N 2.97Å; L538-M541 PolarHBondContact O-N 2.96Å; L538-L542 VanDerWaalsContact O-CB 3.3Å; L538-L542 WeakPolarHBondContact O-CB 3.34Å; L538-L542 PolarHBondContact O-N 3.3Å
539T96.7Very high96Very high55 Ų55106.9 Ų106.934%0.33751%0.513SS..Hα-helixtrans-62.7-40.1176.8-61.80000111.4I535 E536 L542 R543I535-T539 VanDerWaalsContact O-CB 3.24Å; I535-T539 WeakPolarHBondContact O-CB 3.49Å; I535-T539 PolarHBondContact O-N 2.93Å; I535-T539 PolarHBondContact O-OG1 2.91Å; E536-T539 WeakPolarHBondContact O-CB 3.2Å; E536-T539 PolarHBondContact O-N 3.32Å; T539-L542 PolarHBondContact O-N 3.23Å; T539-R543 WeakPolarHBondContact O-CG 3.26Å; T539-R543 PolarHBondContact O-N 3.07Å
540R97.9Very high96.2Very high157 Ų157106.4 Ų106.459%0.59251%0.511SS*.Hα-helixtrans-65.5-45.5176.2-166.5175.7-168.6138.7-3.3111.5E536 A537 L538 L542 R543 Q544E536-R540 WeakPolarHBondContact O-CB 3.44Å; E536-R540 PolarHBondContact O-N 2.94Å; E536-R540 IonicContact OE1-NH1 3.16Å; A537-R540 PolarHBondContact O-N 3.21Å; L538-R540 VanDerWaalsContact C-N 3.33Å; L538-R540 PolarHBondContact O-N 2.97Å; R540-L542 VanDerWaalsContact C-N 3.34Å; R540-R543 PolarHBondContact O-N 3.18Å; R540-Q544 WeakPolarHBondContact O-CG 3.41Å; R540-Q544 PolarHBondContact O-N 2.96Å
541M97.1Very high96.3Very high90 Ų90110.1 Ų110.144%0.44352%0.521SS..Hα-helixtrans-64.4-38.3174.6-168.6-165.3-61.300111.9A537 L538 Q544 K545A537-M541 PolarHBondContact O-N 3.35Å; L538-M541 PolarHBondContact O-N 2.96Å; M541-Q544 PolarHBondContact O-N 3.44Å; M541-K545 HydrophobicContact CG-CD 4.37Å; M541-K545 WeakPolarHBondContact O-CB 3.2Å; M541-K545 WeakPolarHBondContact O-CG 3.34Å; M541-K545 PolarHBondContact O-N 2.93Å; M541-K545 PolarHBondContact SD-NZ 3.25Å
542L97.6Very high96.4Very high120 Ų120108.9 Ų108.963%0.62852%0.519SS*.Hα-helixtrans-64.6-44.7176.5-177.561.6000111.2L538 T539 R540 K545 Q546L538-L542 VanDerWaalsContact O-CB 3.3Å; L538-L542 WeakPolarHBondContact O-CB 3.34Å; L538-L542 PolarHBondContact O-N 3.3Å; T539-L542 PolarHBondContact O-N 3.23Å; R540-L542 VanDerWaalsContact C-N 3.34Å; L542-K545 PolarHBondContact O-N 3.46Å; L542-Q546 WeakPolarHBondContact O-CB 3.49Å; L542-Q546 PolarHBondContact O-N 2.85Å
543R95.7Very high96.4Very high175 Ų175111.6 Ų111.666%0.6653%0.527SS*.Hα-helixtrans-59.8-44.9173.3-72.2175.2-172.4-174.34.8111.9T539 R540 Q546 Q547T539-R543 WeakPolarHBondContact O-CG 3.26Å; T539-R543 PolarHBondContact O-N 3.07Å; R540-R543 PolarHBondContact O-N 3.18Å; R543-Q546 PolarHBondContact O-N 3.21Å; R543-Q547 WeakPolarHBondContact O-CG 3.12Å; R543-Q547 PolarHBondContact O-N 3.38Å
544Q96.9Very high96.3Very high116 Ų116111.5 Ų111.554%0.54253%0.531SS..Hα-helixtrans-61-44.1175.5-75.1176.5-24.200112.6R540 M541 Q546 Q547 L548R540-Q544 WeakPolarHBondContact O-CG 3.41Å; R540-Q544 PolarHBondContact O-N 2.96Å; M541-Q544 PolarHBondContact O-N 3.44Å; Q544-Q546 VanDerWaalsContact C-N 3.34Å; Q544-Q547 PolarHBondContact O-N 3.4Å; Q544-L548 WeakPolarHBondContact O-CB 3.5Å; Q544-L548 PolarHBondContact O-N 3.09Å
545K95.2Very high96.2Very high119 Ų119112.6 Ų112.652%0.51754%0.536SS..Hα-helixtrans-64.2-39.1175.1-76.5175.1175.9172.30111.7M541 L542 L548 V549M541-K545 HydrophobicContact CG-CD 4.37Å; M541-K545 WeakPolarHBondContact O-CB 3.2Å; M541-K545 WeakPolarHBondContact O-CG 3.34Å; M541-K545 PolarHBondContact O-N 2.93Å; M541-K545 PolarHBondContact SD-NZ 3.25Å; L542-K545 PolarHBondContact O-N 3.46Å; K545-L548 PolarHBondContact O-N 3.28Å; K545-V549 WeakPolarHBondContact O-CG2 3.37Å; K545-V549 PolarHBondContact O-N 2.89Å
546Q96.2Very high95.9Very high116 Ų116113.3 Ų113.354%0.54254%0.541SS..Hα-helixtrans-65.2-42.5177.4-172.357.683.100112L542 R543 Q544 V549 E550L542-Q546 WeakPolarHBondContact O-CB 3.49Å; L542-Q546 PolarHBondContact O-N 2.85Å; R543-Q546 PolarHBondContact O-N 3.21Å; Q544-Q546 VanDerWaalsContact C-N 3.34Å; Q546-V549 PolarHBondContact O-N 2.88Å; Q546-E550 WeakPolarHBondContact O-CB 3.4Å; Q546-E550 PolarHBondContact O-N 3.25Å
547Q95.4Very high95.7Very high125 Ų125113.4 Ų113.458%0.58454%0.541SS*.Hα-helixtrans-64.9-35.6173.4-73.5176.2-27.600112.7R543 Q544 E550 R551R543-Q547 WeakPolarHBondContact O-CG 3.12Å; R543-Q547 PolarHBondContact O-N 3.38Å; Q544-Q547 PolarHBondContact O-N 3.4Å; Q547-E550 PolarHBondContact O-N 2.97Å; Q547-R551 WeakPolarHBondContact O-CB 3.48Å; Q547-R551 PolarHBondContact O-N 3.37Å
548L95.8Very high95.2Very high87 Ų87117.4 Ų117.446%0.45555%0.55SS..Hα-helixtrans-67.3-43.8174.118060.4000111.4Q544 K545 E550 R551 L552Q544-L548 WeakPolarHBondContact O-CB 3.5Å; Q544-L548 PolarHBondContact O-N 3.09Å; K545-L548 PolarHBondContact O-N 3.28Å; L548-E550 VanDerWaalsContact C-N 3.31Å; L548-E550 PolarHBondContact O-N 3.34Å; L548-R551 PolarHBondContact O-N 3.04Å; L548-L552 HydrophobicContact CD1-CD1 4.16Å; L548-L552 HydrophobicContact CD1-CG 4.25Å; L548-L552 HydrophobicContact CG-CD1 4.02Å; L548-L552 WeakPolarHBondContact O-CB 3.48Å; L548-L552 VanDerWaalsContact O-CG 3.28Å; L548-L552 WeakPolarHBondContact O-CG 3.37Å; L548-L552 PolarHBondContact O-N 3.49Å
549V97.3Very high94.5Very high86 Ų86117 Ų11752%0.52155%0.546SS..Hα-helixtrans-62-39.4174.1168.90000111.2K545 Q546 L552 K553K545-V549 WeakPolarHBondContact O-CG2 3.37Å; K545-V549 PolarHBondContact O-N 2.89Å; Q546-V549 PolarHBondContact O-N 2.88Å; V549-L552 PolarHBondContact O-N 3.25Å; V549-K553 VanDerWaalsContact O-CB 3.28Å; V549-K553 WeakPolarHBondContact O-CB 3.45Å; V549-K553 PolarHBondContact O-N 2.93Å
550E96.6Very high94Very high126 Ų126121.8 Ų121.859%0.58956%0.562SS**Hα-helixtrans-63.8-46.9175.3-175.1175-164.600112.1Q546 Q547 L548 L552 K553 L554Q546-E550 WeakPolarHBondContact O-CB 3.4Å; Q546-E550 PolarHBondContact O-N 3.25Å; Q547-E550 PolarHBondContact O-N 2.97Å; L548-E550 VanDerWaalsContact C-N 3.31Å; L548-E550 PolarHBondContact O-N 3.34Å; E550-L552 PolarHBondContact O-N 3.43Å; E550-K553 PolarHBondContact O-N 2.9Å; E550-L554 PolarHBondContact O-N 3.36Å
551R95.3Very high92.6Very high173 Ų173124.2 Ų124.265%0.65357%0.571SS**Hα-helixtrans-59.7-45.7173.9-174.2-169.3-63167-0.7112Q547 L548 K553 L554 Q555Q547-R551 WeakPolarHBondContact O-CB 3.48Å; Q547-R551 PolarHBondContact O-N 3.37Å; L548-R551 PolarHBondContact O-N 3.04Å; R551-K553 VanDerWaalsContact C-N 3.35Å; R551-L554 PolarHBondContact O-N 3.05Å; R551-Q555 WeakPolarHBondContact O-CB 3.47Å; R551-Q555 PolarHBondContact O-N 2.94Å
552L95.7Very high91.2Very high82 Ų82124 Ų12443%0.42958%0.583SS.*Hα-helixtrans-66.5-36.8179-71.4170.7000111.7L548 V549 E550 Q555 L556L548-L552 HydrophobicContact CD1-CD1 4.16Å; L548-L552 HydrophobicContact CD1-CG 4.25Å; L548-L552 HydrophobicContact CG-CD1 4.02Å; L548-L552 WeakPolarHBondContact O-CB 3.48Å; L548-L552 VanDerWaalsContact O-CG 3.28Å; L548-L552 WeakPolarHBondContact O-CG 3.37Å; L548-L552 PolarHBondContact O-N 3.49Å; V549-L552 PolarHBondContact O-N 3.25Å; E550-L552 PolarHBondContact O-N 3.43Å; L552-Q555 PolarHBondContact O-N 2.98Å; L552-L556 WeakPolarHBondContact O-CB 3.49Å; L552-L556 WeakPolarHBondContact O-CG 3.48Å; L552-L556 PolarHBondContact O-N 3.42Å
553K94.8Very high89.3Confident145 Ų145124.8 Ų124.863%0.6358%0.583SS**Hα-helixtrans-62.4-45.4172.3-175-169.5173.4-163.30111.1V549 E550 R551 Q555 L556 E557V549-K553 VanDerWaalsContact O-CB 3.28Å; V549-K553 WeakPolarHBondContact O-CB 3.45Å; V549-K553 PolarHBondContact O-N 2.93Å; E550-K553 PolarHBondContact O-N 2.9Å; R551-K553 VanDerWaalsContact C-N 3.35Å; K553-Q555 VanDerWaalsContact C-N 3.34Å; K553-L556 PolarHBondContact O-N 3.46Å; K553-E557 WeakPolarHBondContact O-CB 3.3Å; K553-E557 PolarHBondContact O-N 3.41Å
554L95.2Very high87.1Confident113 Ų113123.4 Ų123.459%0.59259%0.585SS**Hα-helixtrans-62.9-40176-179.163.6000111.9E550 R551 E557 Q558E550-L554 PolarHBondContact O-N 3.36Å; R551-L554 PolarHBondContact O-N 3.05Å; L554-E557 PolarHBondContact O-N 3.3Å; L554-Q558 WeakPolarHBondContact O-CB 3.28Å; L554-Q558 PolarHBondContact O-N 2.86Å
555Q93Very high84.7Confident105 Ų105123.5 Ų123.549%0.49160%0.595SS.*Hα-helixtrans-65.1-44.3176.4-174175.2-21.500111.9R551 L552 K553 E557 Q558 E559R551-Q555 WeakPolarHBondContact O-CB 3.47Å; R551-Q555 PolarHBondContact O-N 2.94Å; L552-Q555 PolarHBondContact O-N 2.98Å; K553-Q555 VanDerWaalsContact C-N 3.34Å; Q555-E557 VanDerWaalsContact C-N 3.32Å; Q555-E557 PolarHBondContact O-N 2.97Å; Q555-Q558 PolarHBondContact O-N 3.33Å; Q555-E559 WeakPolarHBondContact O-CB 3.37Å; Q555-E559 PolarHBondContact O-N 2.94Å
556L91.9Very high82Confident112 Ų112122.3 Ų122.359%0.58661%0.608SS**Hα-helixtrans-66.2-32.6174-71.6170.3000112.6L552 K553 K560L552-L556 WeakPolarHBondContact O-CB 3.49Å; L552-L556 WeakPolarHBondContact O-CG 3.48Å; L552-L556 PolarHBondContact O-N 3.42Å; K553-L556 PolarHBondContact O-N 3.46Å; L556-K560 WeakPolarHBondContact O-CB 3.39Å; L556-K560 PolarHBondContact O-N 2.94Å
557E91.6Very high79.6Confident118 Ų118123.2 Ų123.255%0.55162%0.623SS**Hα-helixtrans-71.2-38.3174.2-172.7164.583.400112K553 L554 Q555 R561K553-E557 WeakPolarHBondContact O-CB 3.3Å; K553-E557 PolarHBondContact O-N 3.41Å; L554-E557 PolarHBondContact O-N 3.3Å; Q555-E557 VanDerWaalsContact C-N 3.32Å; Q555-E557 PolarHBondContact O-N 2.97Å; E557-R561 WeakPolarHBondContact O-CB 3.43Å; E557-R561 PolarHBondContact O-N 3.1Å
558Q86.9Confident76.7Confident140 Ų140121.7 Ų121.765%0.65463%0.633SS**Hα-helixtrans-64.5-43.5171.5-176.3177.562.900111.5L554 Q555 R561 A562L554-Q558 WeakPolarHBondContact O-CB 3.28Å; L554-Q558 PolarHBondContact O-N 2.86Å; Q555-Q558 PolarHBondContact O-N 3.33Å; Q558-R561 WeakPolarHBondContact O-CB 3.4Å; Q558-R561 PolarHBondContact O-N 2.92Å; Q558-A562 WeakPolarHBondContact O-CB 3.29Å; Q558-A562 PolarHBondContact O-N 3.32Å
559E82.6Confident74.2Confident98 Ų98123.8 Ų123.846%0.45865%0.651SS.*Hα-helixtrans-63.6-46.2175.7-165.1-170.2126.100111.3Q555 R561 A562 Q563Q555-E559 WeakPolarHBondContact O-CB 3.37Å; Q555-E559 PolarHBondContact O-N 2.94Å; E559-R561 PolarHBondContact O-N 3.31Å; E559-A562 PolarHBondContact O-N 3.43Å; E559-Q563 WeakPolarHBondContact O-CG 3.38Å; E559-Q563 PolarHBondContact O-N 2.97Å; E559-Q563 PolarHBondContact OE1-NE2 3.17Å
560K85Confident71.3Confident155 Ų155124 Ų12467%0.67466%0.662SS**Hα-helixtrans-58-33.1172.9-179.7-175.6174.4-171.40112.5L556L556-K560 WeakPolarHBondContact O-CB 3.39Å; L556-K560 PolarHBondContact O-N 2.94Å
561R69.7Low69Low208 Ų208123.6 Ų123.679%0.78567%0.67SS**Hα-helixtrans-75.5-35.4174-171179.3-179.3115.33.5112.2E557 Q558 E559 Q563 Q564E557-R561 WeakPolarHBondContact O-CB 3.43Å; E557-R561 PolarHBondContact O-N 3.1Å; Q558-R561 WeakPolarHBondContact O-CB 3.4Å; Q558-R561 PolarHBondContact O-N 2.92Å; E559-R561 PolarHBondContact O-N 3.31Å; R561-Q563 VanDerWaalsContact C-N 3.34Å; R561-Q564 PolarHBondContact O-N 3.26Å
562A67.6Low65.9Low85 Ų85123.6 Ų123.670%0.70268%0.682SS**Hα-helixtrans-71.4-27.3176.300000113Q558 E559 Q564Q558-A562 WeakPolarHBondContact O-CB 3.29Å; Q558-A562 PolarHBondContact O-N 3.32Å; E559-A562 PolarHBondContact O-N 3.43Å; A562-Q564 VanDerWaalsContact C-N 3.3Å; A562-Q564 PolarHBondContact O-N 3.04Å
563Q57.7Low62.8Low136 Ų136123.3 Ų123.364%0.63670%0.7SS**THydrogen-bonded Turntrans-84.510.3175.6-65.5-170.844.900114.4E559 R561 P565E559-Q563 WeakPolarHBondContact O-CG 3.38Å; E559-Q563 PolarHBondContact O-N 2.97Å; E559-Q563 PolarHBondContact OE1-NE2 3.17Å; R561-Q563 VanDerWaalsContact C-N 3.34Å; Q563-P565 WeakPolarHBondContact O-CD 3.37Å
564Q48.8Very low59.8Low146 Ų146123.1 Ų123.168%0.68271%0.711SS**SBendtrans-87.4116.5171.2-78.9-76.9-47.800110.7R561 A562R561-Q564 PolarHBondContact O-N 3.26Å; A562-Q564 VanDerWaalsContact C-N 3.3Å; A562-Q564 PolarHBondContact O-N 3.04Å
565P45.8Very low57.4Low118 Ų118123.2 Ų123.277%0.76672%0.718SS**PPolyproline II helixtrans-70.6134.6178.8-17.732.3000112.5Q563Q563-P565 WeakPolarHBondContact O-CD 3.37Å
566A38.5Very low54.4Low94 Ų94124.5 Ų124.578%0.77773%0.733SS**PPolyproline II helixtrans-78.9145.316700000110.8
567P47Very low51.5Low135 Ų135127.5 Ų127.588%0.87774%0.741SS**PPolyproline II helixtrans-81144.2-175.732.1-35.2000113.3
568A33.6Very low48.7Very low94 Ų94129.5 Ų129.578%0.77775%0.75SS**  trans-128.9153.3165.500000109.3
569P42.8Very low46Very low131 Ų131130.8 Ų130.885%0.85176%0.757SS**  trans-85.2153.6-161.233-36.7000115.5
570A38Very low43.5Very low90 Ų90131.4 Ų131.474%0.74476%0.763SS**  trans-79.3174.8161.200000110.2
571P48Very low40.8Very low117 Ų117127.6 Ų127.676%0.7676%0.756SS**  cis-120.3-163.541.927.4-3.7000111.5
572L30.6Very low39Very low173 Ų173127.2 Ų127.291%0.90676%0.76SS**  cis-141.9178.516.5-76.4162.7000110.5
573G29.6Very low37.4Very low77 Ų77128 Ų12879%0.79476%0.761SS**  trans126.263.8154.800000117.7
574T31.1Very low36Very low140 Ų140126.9 Ų126.986%0.85977%0.768SS**  trans-91.7171.4163.447.20000110.4
575P45.9Very low34.9Very low115 Ų115125 Ų12575%0.74777%0.77SS**  cis-122.3177.910.544.1-27.5000113.2
576V28.6Very low34.4Very low133 Ų133127.3 Ų127.381%0.80677%0.77SS**  -149.113666.8166.90000113.7
577K31.5Very low34Very low175 Ų175130.1 Ų130.176%0.76177%0.772SS**  trans-12.7129.4157.3-166.2172.1-175.3-179.40117.1
578Q34.3Very low33.2Very low159 Ų159128.7 Ų128.774%0.74376%0.764SS**  cis88.7105.327.7-168-165.816.100116.1
579E30Very low33.1Very low168 Ų168133.1 Ų133.179%0.78577%0.769SS**  trans-160.7145.1141-102.4-15280.400108.4
580N29.8Very low32.4Very low110 Ų110135.7 Ų135.759%0.58877%0.77SS**  cis-149.8139.9-14.3-148.8-19.7000111.8
581S28.9Very low32.5Very low76 Ų76136.9 Ų136.953%0.53177%0.77SS.*  trans9.8130.6158.7-45.40000120.5
582F30.4Very low31.7Very low199 Ų199139.7 Ų139.787%0.87378%0.778SS**  55.3132.957.1-60.1-70.2000113.1
583S34.3Very low31.6Very low103 Ų103134.4 Ų134.472%0.7277%0.765SS**  177178.472.5-62.30000112.6
584S28.1Very low32.4Very low112 Ų112137.2 Ų137.278%0.78377%0.769SS**  trans75.9147.1155.8-71.50000119.9
585C26.3Very low32.2Very low107 Ų107134.5 Ų134.572%0.72376%0.761SS**  cis-165.2133.9-21.5-111.70000108
586Q34.3Very low31.4Very low166 Ų166137.5 Ų137.578%0.77677%0.765SS**  69.9136.490.8-76-78.425.900118.7
587L30.9Very low32.1Very low153 Ų153135.6 Ų135.680%0.80176%0.755SS**  trans97.1158147.3-123.376.9000123.3
588S29.9Very low32Very low104 Ų104137 Ų13773%0.72776%0.761SS**  trans80.3126.6171.6-88.10000118.2
589Q31.4Very low31.7Very low188 Ų188136.5 Ų136.588%0.87976%0.764SS**  cis-139.71672.3-70.3-166.376.100113.7
590Q28.7Very low32.5Very low185 Ų185133.4 Ų133.486%0.86476%0.758SS**PPolyproline II helixtrans-83.9164.4173.8-90.3-175.6-79.300114
591P40.7Very low32.2Very low115 Ų115132.7 Ų132.775%0.74776%0.762SS**PPolyproline II helixtrans-84157.7169.535.9-35.3000113
592L30.4Very low32.2Very low175 Ų175137 Ų13792%0.91678%0.778SS**PPolyproline II helixtrans-80.6140.9164.4-102.188.2000111.4
593G28.6Very low32Very low62 Ų62132 Ų13264%0.63977%0.774SS**  trans-77.9-169.1159.200000112.1
594P46Very low32.1Very low137 Ų137131.7 Ų131.789%0.8978%0.777SS**  -123.4165.764.437.4-30.7000114.6
595A28Very low33.1Very low82 Ų82132 Ų13268%0.67878%0.777SS**  trans-100.5162.7175.900000111.5
596H28.4Very low33.3Very low179 Ų179131 Ų13183%0.82978%0.776SS**  -141.4129.3128.6-121.7-82.9000110
597P43.3Very low33Very low92 Ų92129.1 Ų129.160%0.59778%0.776SS**  trans-91.3159.617736.6-34.4000111.3
598F28.8Very low33Very low204 Ų204129.1 Ų129.190%0.89578%0.777SS**  -156.3138.8128.6-96-64.8000111
599N28.3Very low33.4Very low150 Ų150131.9 Ų131.980%0.80278%0.778SS**  trans-105.9174.5172.3-105.4-30.8000107.7
600P46.1Very low33.8Very low102 Ų102129.1 Ų129.166%0.66277%0.768SS**  cis-138.4-167.6-19.832.7-10.8000113.3
601S24.9Very low33.9Very low95 Ų95126.8 Ų126.866%0.66476%0.761SS**  trans82.5135.4135.2-98.10000123.6
602L29.1Very low34.2Very low167 Ų167126 Ų12687%0.87476%0.756SS**  trans72.4165.9136.2-75.9166.2000121.2
603A24.7Very low34.1Very low94 Ų94123.3 Ų123.378%0.77775%0.751SS**  trans7572.7161.800000119.1
604A37.3Very low34Very low96 Ų96124.1 Ų124.179%0.79375%0.751SS**  -83.4169.4121.300000108.1
605P49.8Very low33.2Very low120 Ų120124.5 Ų124.578%0.77975%0.751SS**  cis-144.6-152.515.541.1-18.1000114
606A29Very low33Very low85 Ų85124.8 Ų124.870%0.70275%0.753SS**  trans77.9133.1147.900000121.3
607T29.5Very low33.6Very low127 Ų127122.1 Ų122.178%0.77975%0.751SS**  -162.6134122.69.90000110
608N29.9Very low32.7Very low153 Ų153121 Ų12182%0.81876%0.756SS**  trans30.2139.3144-51.8-24.8000119.9
609H39.7Very low33.8Very low162 Ų162117.1 Ų117.175%0.7575%0.752SS**  cis-166.5150.910.7121.8-41.6000107.2
610I38.8Very low34.5Very low129 Ų129115.3 Ų115.366%0.66275%0.748SS**  cis-152.6143.2-2.8-116177.4000104.1
611D31.1Very low33.5Very low137 Ų137115.4 Ų115.473%0.73375%0.752SS**  59156.177-120.759.7000113.5
612P45.8Very low33.6Very low99 Ų99116.8 Ų116.864%0.64376%0.755SS**  cis-122168.79.143-29.9000117
613C29.1Very low33.6Very low118 Ų118114.5 Ų114.580%0.79775%0.748SS**  trans72.7153.3162.6-600000118.8
614A26.1Very low33.8Very low79 Ų79115.7 Ų115.765%0.65375%0.745SS**  cis-172167-27.900000110.7
615V29.7Very low33.5Very low145 Ų145119.7 Ų119.788%0.87975%0.745SS**  trans77.2147161.3-1540000118
616A24.5Very low32.5Very low87 Ų87120.2 Ų120.272%0.71974%0.737SS**  trans-100.8-140.9171.400000108.7
617P39.6Very low32.3Very low123 Ų123123.8 Ų123.880%0.79974%0.739SS**  cis-132.3-178.4-22.742.2-26.1000114.3
618G24.7Very low32.1Very low68 Ų68122.1 Ų122.170%0.70174%0.738SS**  trans95.5140.7134.300000120.5
619P52.6Low31.7Very low123 Ų123123.1 Ų123.180%0.79974%0.743SS**  trans-83.8167.5159.240-36.3000110.1
620P42.9Very low31.2Very low112 Ų112122.5 Ų122.573%0.72774%0.74SS**  -160.6-176.659.243.3-19.6000119.6
621S24.6Very low31Very low105 Ų105121.7 Ų121.773%0.73474%0.743SS**  trans67.3134.4135.7-81.50000125.3
622V26.8Very low30.7Very low123 Ų123122.7 Ų122.775%0.74574%0.743SS**  90106124.8166.60000122
623V28.7Very low30.3Very low119 Ų119123.3 Ų123.372%0.72175%0.748SS**  73.7107.8123.7175.80000122.7
624V29.2Very low30.1Very low119 Ų119124.4 Ų124.472%0.72174%0.741SS**  68.7136.7126.4178.50000123.3
625K31.5Very low30.7Very low181 Ų181126.4 Ų126.479%0.78775%0.748SS**  trans66.7147.9163.2-85.9-170.2171-164.20117.8
626Q28.2Very low30.6Very low131 Ų131125 Ų12561%0.61274%0.739SS**  cis145.3130.2-0171.1178.9-300106.1
627E24.5Very low31.1Very low160 Ų160126.9 Ų126.975%0.74874%0.744SS**  trans80.3136.7161.7-93.9161.874.600124.8
628A25.3Very low30.4Very low91 Ų91125.2 Ų125.275%0.75274%0.741SS**  trans49.9145.915200000121.1
629L22.4Very low31.3Very low175 Ų175127.4 Ų127.492%0.91674%0.742SS**  cis-154.5178.634.9-168.658.6000113.4
630Q28.4Very low30.2Very low148 Ų148129.7 Ų129.769%0.69274%0.742SS**  trans-103.2168.9-177.5-123-96.2-39.400112.6
631P36.5Very low29.4Very low113 Ų113130.8 Ų130.873%0.73474%0.741SS**  -156.8148.298.438.8-19000119.6
632E24.6Very low29.4Very low157 Ų157132.6 Ų132.673%0.73474%0.742SS**  32.5167.5128.5-88.7-118.4104.900124.4
633P36.6Very low29.4Very low113 Ų113134.4 Ų134.473%0.73475%0.747SS**  cis-135-170.42.527.3-1.2000118.2
634E24.3Very low29.1Very low140 Ų140131.8 Ų131.865%0.65474%0.744SS**  trans-85.9176.5-179-136.9-149.4121.800116V636E634-V636 VanDerWaalsContact OE1-CG2 3.27Å; E634-V636 WeakPolarHBondContact OE1-CG2 3.28Å; E634-V636 PolarHBondContact OE1-N 3.13Å; E634-V636 VanDerWaalsContact OE1-N 3.09Å
635P39.3Very low29.8Very low122 Ų122131.9 Ų131.979%0.79275%0.747SS**  -155.3178.267.641.3-17.8000120.8
636V27.9Very low29.5Very low115 Ų115132 Ų13270%0.69775%0.75SS**  trans-75.3168.8-177.5-132.70000119.4E634E634-V636 VanDerWaalsContact OE1-CG2 3.27Å; E634-V636 WeakPolarHBondContact OE1-CG2 3.28Å; E634-V636 PolarHBondContact OE1-N 3.13Å; E634-V636 VanDerWaalsContact OE1-N 3.09Å
637P35.6Very low29.4Very low127 Ų127128.8 Ų128.883%0.82575%0.752SS**  -140.9172.4114.140.5-28.8000116.9
638A25Very low30.1Very low88 Ų88127.5 Ų127.573%0.72776%0.758SS**  trans-124.6174.1-172.200000115.2
639P42.8Very low30.4Very low114 Ų114128.1 Ų128.174%0.7476%0.757SS**  -142133.4105.133.3-16.8000114.6
640Q29.3Very low30.9Very low170 Ų170127.4 Ų127.479%0.79475%0.753SS**  62.5139.992.4-64.2-17586.700115.9
641L26.3Very low31.1Very low135 Ų135128.4 Ų128.471%0.70776%0.762SS**  cis-142.7-135.92.7-125.2170.3000110.2
642L24.6Very low30.8Very low144 Ų144132.4 Ų132.475%0.75477%0.767SS**  cis-148.2-107.58.1-167.261.3000114
643L27.4Very low31.1Very low160 Ų160128.5 Ų128.584%0.83877%0.77SS**  trans-135.4158.8-162.8-110.868.7000115.3
644G22.3Very low31Very low65 Ų65130 Ų13067%0.6778%0.776SS**  trans-96.8-151.6161.400000112.5
645P43.3Very low31.9Very low120 Ų120127.3 Ų127.378%0.77978%0.778SS**  cis-140.1-150.410.940.7-18.1000114.5
646Q26.2Very low31.8Very low183 Ų183127.1 Ų127.186%0.85578%0.777SS**  trans91.3136.4169.2-52.4-6625.100119.7
647G26.1Very low32.6Very low64 Ų64126.3 Ų126.366%0.6677%0.774SS**  trans-104.7-151.6159.400000110.8
648P37.6Very low33Very low134 Ų134126.2 Ų126.287%0.8777%0.771SS**  cis-123.8-163.81443-28.9000114.1
649S31.6Very low34Very low103 Ų103127.2 Ų127.272%0.7276%0.764SS**  trans-82.4159.5-179.750.60000114.4
650L32.9Very low34.4Very low161 Ų161128 Ų12884%0.84376%0.76SS**  trans170106.3131.6-95165.4000114.2
651I32.1Very low35.5Very low169 Ų169123.2 Ų123.287%0.86774%0.743SS**  trans-165.6104.6143.127.7179000106.9
652K30.7Very low37.1Very low196 Ų196120.8 Ų120.885%0.85273%0.73SS**  71.594.771-166.2171.2-174.3174.30112.1
653G31.2Very low38.2Very low76 Ų76119.9 Ų119.978%0.78474%0.736SS**  trans-77.2164.1-179.500000114.4
654V35.5Very low39.7Very low144 Ų144117.6 Ų117.687%0.87373%0.729SS**  trans-132.8139.3176.91770000108.4
655A41.9Very low41.4Very low84 Ų84117 Ų11769%0.69472%0.723SS**PPolyproline II helixtrans-82.9155.9-178.900000112.4
656P37.7Very low42.3Very low117 Ų117115.1 Ų115.176%0.7671%0.71SS**PPolyproline II helixtrans-69.9152177.429.7-35.8000112.5
657P45.5Very low43.6Very low99 Ų99112.4 Ų112.464%0.64370%0.697SS**PPolyproline II helixtrans-75.5149.2-178.331.5-35.8000112.9
658T43.4Very low45Very low124 Ų124115 Ų11576%0.76170%0.695SS**PPolyproline II helixtrans-89.9137.4177-44.50000111.3
659L45.2Very low45.5Very low109 Ų109113.1 Ų113.157%0.57168%0.681SS**PPolyproline II helixtrans-90.5140.3170.6-73.4167.3000110.7V669L659-V669 HydrophobicContact CD2-CG2 3.72Å
660I51.8Low46.1Very low130 Ų130114.6 Ų114.667%0.66768%0.68SS**EExtended strand (participates in β ladder)trans-124.2145168.9-57.8179.2000108L668I660-L668 PolarHBondContact O-N 2.9Å
661T52.1Low46.5Very low70 Ų70112.2 Ų112.243%0.42967%0.672SS.*EExtended strand (participates in β ladder)trans-126.2133.9-174.4-38.40000109.4T666 H667T661-T666 WeakPolarHBondContact CA-O 3.41Å; T661-T666 WeakPolarHBondContact CG2-O 3.38Å; T661-H667 VanDerWaalsContact CG2-CE1 3.42Å; T661-H667 WeakPolarHBondContact CG2-CE1 3.43Å; T661-H667 WeakPolarHBondContact CG2-ND1 3.27Å; T661-H667 PolarHBondContact OG1-CE1 3.36Å; T661-H667 PolarHBondContact OG1-ND1 2.9Å
662D58.9Low46.9Very low84 Ų84109.8 Ų109.845%0.44967%0.665SS.*  trans-76.6158.2172.8-172.8-87.7000111.5T664 G665 T666D662-T664 PolarHBondContact O-N 3.27Å; D662-T664 VanDerWaalsContact O-N 3.1Å; D662-T664 WeakPolarHBondContact OD1-CB 3.46Å; D662-T664 WeakPolarHBondContact OD1-CG2 3.36Å; D662-T664 PolarHBondContact OD1-N 3.46Å; D662-T664 PolarHBondContact OD1-OG1 2.91Å; D662-G665 PolarHBondContact O-N 2.93Å; D662-T666 PolarHBondContact N-O 3.47Å
663S48.4Very low47.3Very low126 Ų126106.2 Ų106.288%0.88166%0.66SS**THydrogen-bonded Turntrans-56.9-19.9172.860.70000114.8
664T59Low47.4Very low111 Ų111110.2 Ų110.268%0.68166%0.663SS**THydrogen-bonded Turntrans-86.50.6173.857.50000114.4D662D662-T664 PolarHBondContact O-N 3.27Å; D662-T664 VanDerWaalsContact O-N 3.1Å; D662-T664 WeakPolarHBondContact OD1-CB 3.46Å; D662-T664 WeakPolarHBondContact OD1-CG2 3.36Å; D662-T664 PolarHBondContact OD1-N 3.46Å; D662-T664 PolarHBondContact OD1-OG1 2.91Å
665G59.1Low47.5Very low53 Ų53112.7 Ų112.755%0.54666%0.662SS.*SBendtrans8415173.200000115.7D662D662-G665 PolarHBondContact O-N 2.93Å
666T61.2Low46.9Very low81 Ų81116.6 Ų116.650%0.49767%0.671SS.*  trans-90134.2171.445.10000111.4T661 D662T661-T666 WeakPolarHBondContact CA-O 3.41Å; T661-T666 WeakPolarHBondContact CG2-O 3.38Å; D662-T666 PolarHBondContact N-O 3.47Å
667H53Low46.7Very low126 Ų126115.7 Ų115.758%0.58367%0.673SS**EExtended strand (participates in β ladder)trans-100.4129.8175-65.2-72.5000110.3T661T661-H667 VanDerWaalsContact CG2-CE1 3.42Å; T661-H667 WeakPolarHBondContact CG2-CE1 3.43Å; T661-H667 WeakPolarHBondContact CG2-ND1 3.27Å; T661-H667 PolarHBondContact OG1-CE1 3.36Å; T661-H667 PolarHBondContact OG1-ND1 2.9Å
668L55.4Low45.9Very low119 Ų119118.6 Ų118.662%0.62368%0.683SS**EExtended strand (participates in β ladder)trans-114.4132176.7-69.6169.1000110.6I660 L670I660-L668 PolarHBondContact O-N 2.9Å; L668-L670 HydrophobicContact CB-CD1 4.36Å
669V48.5Very low45.5Very low94 Ų94117.3 Ų117.357%0.5768%0.68SS**  trans-103.8109.6175.8-178.70000108.8L659 T671L659-V669 HydrophobicContact CD2-CG2 3.72Å; V669-T671 HydrophobicContact CG1-CG2 4.34Å
670L45.2Very low45.4Very low134 Ų134118.2 Ų118.270%0.70269%0.692SS**  trans-93.1104.5172.8-86.978.2000110.9L668 V672L668-L670 HydrophobicContact CB-CD1 4.36Å; L670-V672 PolarHBondContact O-N 3.36Å
671T41.1Very low44.2Very low110 Ų110115.3 Ų115.368%0.67569%0.694SS**  trans-90.487.4169.637.30000111V669 T673V669-T671 HydrophobicContact CG1-CG2 4.34Å; T671-T673 PolarHBondContact O-N 2.85Å; T671-T673 VanDerWaalsContact O-N 3.13Å
672V40.8Very low43.1Very low119 Ų119120.4 Ų120.472%0.72172%0.718SS**  trans-68.4109173.8-177.50000109.7L670L670-V672 PolarHBondContact O-N 3.36Å
673T37.5Very low41.6Very low121 Ų121121.8 Ų121.874%0.74273%0.734SS**  trans-99.292.8179.140.30000110.8T671 K675T671-T673 PolarHBondContact O-N 2.85Å; T671-T673 VanDerWaalsContact O-N 3.13Å; T673-K675 PolarHBondContact O-N 3Å
674N34.9Very low40.6Very low159 Ų159121.7 Ų121.785%0.8573%0.734SS**  trans-67.9114.6173.5-74.90.1000110.5
675K36.6Very low39.1Very low197 Ų197119.8 Ų119.886%0.85774%0.736SS**  trans-120.6139.3166.158-178.5178.7178.40109.1T673T673-K675 PolarHBondContact O-N 3Å
676N28.7Very low37.6Very low166 Ų166123 Ų12389%0.88875%0.75SS**  trans-137.4161.1-171.6-124.5-9.1000110
677A34.4Very low37.1Very low97 Ų97124 Ų12480%0.80276%0.758SS**  trans68.9122.7-163.300000112.4
678D29.1Very low35.9Very low160 Ų160126.4 Ų126.486%0.85677%0.769SS**  -144.3175.552.4-139.6-44.4000114.3
679S33.7Very low34.5Very low98 Ų98129.3 Ų129.369%0.68578%0.78SS**  trans-164140.1176.964.80000110.8
680P43.3Very low34.3Very low127 Ų127129.8 Ų129.883%0.82579%0.785SS**  -151.8156.263.639.6-20.2000119
681G26.2Very low33.3Very low70 Ų70128.4 Ų128.472%0.72279%0.786SS**  trans60.8126.1136.600000123.1
682L29.1Very low32.7Very low177 Ų177128.4 Ų128.493%0.92779%0.791SS**  167159.6105.3-85.2176.6000112.9
683S27.8Very low32.3Very low113 Ų113131.5 Ų131.579%0.7980%0.797SS**  trans63.4133.5-178.9-81.70000116.5
684S27.5Very low32.7Very low124 Ų124131.9 Ų131.987%0.86780%0.802SS**  cis71.9129.239.9-160.90000113.1
685G26.9Very low32.4Very low71 Ų71128 Ų12873%0.73280%0.8SS**  cis-171.7179.10.300000111.4
686S27.7Very low32.4Very low121 Ų121124.3 Ų124.385%0.84680%0.799SS**  trans-91.2178.7175.4-139.50000110.9
687P52.3Low33.6Very low100 Ų100122.6 Ų122.665%0.64980%0.797SS**  cis-144.4-159.65.342.7-20.9000116.3
688Q26.4Very low33.5Very low178 Ų178122.5 Ų122.583%0.83280%0.795SS**  trans85.1110.1148-83.4175.2-13.600123.6
689Q27.2Very low34.5Very low180 Ų180121.2 Ų121.284%0.84180%0.796SS**  -2.6173.4113.4-110-168.9-18.100120.1
690P43Very low34.4Very low103 Ų103121.1 Ų121.167%0.66980%0.801SS**  cis-145.2-177.7-1.539.4-18.2000118.8
691S25.1Very low35Very low106 Ų106120.3 Ų120.374%0.74180%0.796SS**  trans96.4145.5131.9-149.90000124.5
692S29.3Very low35.3Very low109 Ų109122.4 Ų122.476%0.76280%0.799SS**  trans96.1129144.2-56.80000121.9
693Q32.5Very low35.5Very low185 Ų185118.3 Ų118.386%0.86479%0.791SS**  trans-88.4-179.3162.1-58.6174.1-8900110.9
694P44.8Very low35.5Very low128 Ų128121 Ų12183%0.83179%0.791SS**  -154.5161.398.839.6-22.4000118.2
695G28.6Very low35.6Very low78 Ų78122.4 Ų122.480%0.80479%0.786SS**  trans83.2126.8131.100000122.2
696S35.9Very low35.5Very low120 Ų120125.3 Ų125.384%0.83979%0.785SS**  trans-100.9174.4165.8-45.20000111.9
697P54.6Low35.7Very low130 Ų130126.5 Ų126.584%0.84478%0.781SS**  -152.6-169.49140.2-20.5000115.6
698A32.7Very low34.5Very low94 Ų94128.5 Ų128.578%0.77778%0.781SS**  trans-147.5168.5-179.400000113.3
699P50.5Low35Very low134 Ų134128.2 Ų128.287%0.8778%0.78SS**  trans-136.7175.5152.336-19.4000115.3
700A31.2Very low35.5Very low95 Ų95125.1 Ų125.179%0.78578%0.775SS**  trans-119.9-158-173.800000111.2
701P56.3Low34.9Very low111 Ų111128.4 Ų128.472%0.72179%0.786SS**  cis-144.9176.611.842.1-20.9000119.9
702S31.8Very low35.5Very low113 Ų113131.7 Ų131.779%0.7979%0.79SS**  trans68.2144.6153.938.40000121.2
703A33.2Very low36Very low91 Ų91132.4 Ų132.475%0.75279%0.792SS**  cis-165.9158.9-9.700000115.3
704Q28.6Very low36Very low171 Ų171129.8 Ų129.880%0.79978%0.783SS**  trans83.1147146.2-134.1177.6-73.500123.3
705M29.8Very low35.2Very low153 Ų153132.8 Ų132.875%0.75478%0.783SS**  trans73.9138.4169.8-44-59.3-90.300116.8
706D24.7Very low35.1Very low132 Ų132132 Ų13271%0.70678%0.775SS**  cis-158.3168.8-17.2-16623.1000112
707L31.4Very low34.9Very low146 Ų146132.6 Ų132.676%0.76477%0.774SS**  trans-41165.3173.3-97.944.2000118.3
708E27.1Very low33.8Very low141 Ų141132.7 Ų132.766%0.65978%0.775SS**  cis-165.7164.5-12.4-133.5-78.284.100109
709H37.9Very low33.8Very low173 Ų173134.5 Ų134.580%0.80178%0.777SS**  trans-128.199.9169.1-101.7-60000111.4
710P37.3Very low33Very low115 Ų115133.3 Ų133.375%0.74777%0.771SS**  trans-65.7135-175.4-24.735.2000115.1
711L28.8Very low33Very low172 Ų172135 Ų13590%0.90177%0.766SS**  trans-94.2175.3172-80.9170.3000113.2
712Q38.5Very low31.8Very low174 Ų174137.9 Ų137.981%0.81378%0.775SS**  trans-71.5163.9-174.8-57.2-179.2-10.900114.6
713P40.2Very low32.1Very low124 Ų124141 Ų14181%0.80577%0.774SS**  -146.2175.3110.434.7-18.3000114
714L31.4Very low32.2Very low130 Ų130146.7 Ų146.768%0.68178%0.782SS**  cis-173.2171.1-29.5-179.655.7000108.1
715F28.1Very low32.7Very low191 Ų191146.8 Ų146.884%0.83878%0.782SS**  trans83.6134.2169.1-55-78.2000118.1
716G27.6Very low33.6Very low62 Ų62144.8 Ų144.864%0.63978%0.781SS**  cis-175.8162.7-5.800000117.1
717T30.5Very low34.9Very low133 Ų133144.2 Ų144.282%0.81678%0.784SS**  trans42.9113.7156.354.90000121.8
718P33.4Very low35.5Very low131 Ų131140.3 Ų140.385%0.85178%0.779SS**  trans-96.4149141.635.5-29.7000111.6
719T31Very low36.1Very low133 Ų133142.4 Ų142.482%0.81678%0.783SS**  trans-109.3146.1-177.140.90000114.3
720S33.3Very low36.7Very low108 Ų108142.9 Ų142.976%0.75579%0.785SS**  trans19.7104.7160.8-160.80000118.1
721L33.1Very low37.3Very low131 Ų131145.9 Ų145.969%0.68679%0.789SS**  58.810577.3-154.1-172.4000113.4K723L721-K723 HydrophobicContact CD2-CG 3.88Å
722L30Very low38.2Very low172 Ų172141.5 Ų141.590%0.90178%0.778SS**  trans-141.7126.6155.5-136.6177.7000108.3
723K37.9Very low38.2Very low177 Ų177140 Ų14077%0.7777%0.772SS**  trans-86.9141-174.8-60.3178.3180178.70111.4L721L721-K723 HydrophobicContact CD2-CG 3.88Å
724K35.9Very low38.9Very low212 Ų212139 Ų13992%0.92277%0.769SS**  trans-147.2144.7146.1-154.8159-174174.90111.3
725E39.5Very low39.3Very low173 Ų173141.5 Ų141.581%0.80878%0.777SS**PPolyproline II helixtrans-88150.4-169.6-168.7171.9-160.600111.5
726P48.3Very low39.6Very low111 Ų111140.5 Ų140.572%0.72178%0.775SS**PPolyproline II helixtrans-67.3145.5172.428.4-35.4000111.7
727P51.1Low40Very low120 Ų120143.8 Ų143.878%0.77979%0.785SS**PPolyproline II helixtrans-60.1147.2177.1-2535.3000114.1
728G43.9Very low40Very low64 Ų64146.5 Ų146.566%0.6679%0.785SS**PPolyproline II helixtrans-76.9166-177.300000115.3E730G728-E730 VanDerWaalsContact C-N 3.33Å; G728-E730 PolarHBondContact O-N 3.2Å
729Y39.5Very low40.3Very low185 Ų185149.8 Ų149.873%0.72579%0.789SS**G310 helixtrans-70.6-10.4-166.9-178.8-113.7000116.3M733Y729-M733 HydrophobicContact CD1-CE 4.35Å; Y729-M733 HydrophobicContact CE1-CE 3.45Å; Y729-M733 VanDerWaalsContact CE1-CE 3.45Å; Y729-M733 WeakPolarHBondContact OH-CE 3.28Å
730E51.7Low40.5Very low183 Ų183152.2 Ų152.286%0.85579%0.791SS**G310 helixtrans-73.2-30.2-173.1-68.1-160128.600115G728 A732G728-E730 VanDerWaalsContact C-N 3.33Å; G728-E730 PolarHBondContact O-N 3.2Å; E730-A732 PolarHBondContact O-N 3.29Å; E730-A732 VanDerWaalsContact O-N 3.1Å
731E49.7Very low40.5Very low177 Ų177155.2 Ų155.283%0.82779%0.794SS**G310 helixtrans-70.5-11-173.5-160.4166.6-159.500113.3
732A46.7Very low40.9Very low81 Ų81157.3 Ų157.367%0.66981%0.805SS**G310 helixtrans-81.4-12.7-176.400000115.3E730E730-A732 PolarHBondContact O-N 3.29Å; E730-A732 VanDerWaalsContact O-N 3.1Å
733M39.7Very low41.7Very low141 Ų141151.5 Ų151.570%0.69579%0.787SS**G310 helixtrans-101.33.9-169.1-62.9-159.3-176.200116Y729Y729-M733 HydrophobicContact CD1-CE 4.35Å; Y729-M733 HydrophobicContact CE1-CE 3.45Å; Y729-M733 VanDerWaalsContact CE1-CE 3.45Å; Y729-M733 WeakPolarHBondContact OH-CE 3.28Å
734S53.8Low42.3Very low105 Ų105147.6 Ų147.673%0.73478%0.782SS**  trans-119.448.2-173.1-169.20000114.9
735Q39.8Very low43Very low182 Ų182142.6 Ų142.685%0.8577%0.774SS**  trans-135.9120166.9-72.4-69.4300111.3
736Q36.1Very low43.5Very low170 Ų170138 Ų13879%0.79476%0.76SS**  trans-82.7138.5172-70.6-173.4-52.200111.1K738Q736-K738 PolarHBondContact O-N 3.49Å; Q736-K738 VanDerWaalsContact O-N 3.14Å
737P34.1Very low44.1Very low130 Ų130138.2 Ų138.284%0.84475%0.752SS**  trans-72.4106.5169.329.9-32.8000110.4
738K31.5Very low44.5Very low190 Ų190138.6 Ų138.683%0.82674%0.743SS**  trans-78.8140161-76.3-176177177.30109.5Q736Q736-K738 PolarHBondContact O-N 3.49Å; Q736-K738 VanDerWaalsContact O-N 3.14Å
739Q39.7Very low45.7Very low201 Ų201140.7 Ų140.794%0.93974%0.737SS**  trans-60.1136.2172.6-66.5171-20.600109.9
740Q34.4Very low47Very low184 Ų184135.6 Ų135.686%0.8672%0.723SS**  trans-118.1131.3165-174.1165.9-16.100109.6
741E34.2Very low48.1Very low171 Ų171130.2 Ų130.280%0.79970%0.7SS**  trans-89.7130.2-166.6-171.8176.7-179.200111.8G743E741-G743 PolarHBondContact O-N 3.46Å
742N42Very low49.5Very low175 Ų175126.7 Ų126.794%0.93669%0.686SS**  trans-7958179.6-83.1-35.1000112.4
743G46Very low50.2Low49 Ų49128.7 Ų128.751%0.50568%0.679SS.*  trans-93.2-19.8179.700000115.7E741 S745E741-G743 PolarHBondContact O-N 3.46Å; G743-S745 VanDerWaalsContact C-N 3.29Å; G743-S745 PolarHBondContact O-N 2.89Å
744S50.4Low51.6Low96 Ų96125.1 Ų125.167%0.67166%0.663SS**Hα-helixtrans-74.4-1.6-159.6-48.30000117.2
745S51Low52.7Low107 Ų107125.6 Ų125.675%0.74866%0.656SS**Hα-helixtrans-84.3-26.7-173-165.30000115.1G743G743-S745 VanDerWaalsContact C-N 3.29Å; G743-S745 PolarHBondContact O-N 2.89Å
746S50.5Low54.4Low75 Ų75122.4 Ų122.452%0.52465%0.645SS.*Hα-helixtrans-78.2-50.1177.9-166.70000111Q748 M749 D750S746-Q748 PolarHBondContact O-N 2.91Å; S746-M749 WeakPolarHBondContact O-CB 3.46Å; S746-M749 PolarHBondContact O-N 3.37Å; S746-D750 VanDerWaalsContact C-OD2 3.23Å; S746-D750 PolarHBondContact O-N 3.18Å; S746-D750 VanDerWaalsContact O-OD2 3.06Å; S746-D750 PolarHBondContact OG-OD2 3.3Å
747Q59.5Low55.9Low116 Ų116120.2 Ų120.254%0.54264%0.637SS.*Hα-helixtrans-48.9-36.1-174.6-166.165.758.500113.4M749 D750 D751Q747-M749 VanDerWaalsContact C-N 3.3Å; Q747-M749 PolarHBondContact O-N 2.93Å; Q747-D750 PolarHBondContact O-N 3.3Å; Q747-D751 PolarHBondContact NE2-OD1 3.14Å; Q747-D751 WeakPolarHBondContact O-CB 3.34Å; Q747-D751 PolarHBondContact O-N 2.85Å
748Q60.9Low57.2Low129 Ų129118.2 Ų118.260%0.60362%0.617SS**Hα-helixtrans-69.7-23-179.3-166.4175-17.900113.9S746 L752S746-Q748 PolarHBondContact O-N 2.91Å; Q748-L752 WeakPolarHBondContact O-CD1 3.5Å
749M68.6Low58.4Low107 Ų107113.3 Ų113.353%0.52761%0.606SS.*Hα-helixtrans-84.1-38.7169.8-70.5-64.3-64.200111.5S746 Q747 L752 F753S746-M749 WeakPolarHBondContact O-CB 3.46Å; S746-M749 PolarHBondContact O-N 3.37Å; Q747-M749 VanDerWaalsContact C-N 3.3Å; Q747-M749 PolarHBondContact O-N 2.93Å; M749-L752 WeakPolarHBondContact O-CB 3.35Å; M749-L752 PolarHBondContact O-N 3.09Å; M749-L752 HydrophobicContact SD-CD1 4.39Å; M749-F753 HydrophobicContact CE-CE2 4.47Å; M749-F753 VanDerWaalsContact O-CD2 3.3Å; M749-F753 WeakPolarHBondContact O-CD2 3.19Å; M749-F753 PolarHBondContact O-N 3.48Å; M749-F753 VanDerWaalsContact O-N 3.1Å
750D66.2Low59.2Low79 Ų79106.8 Ų106.842%0.42259%0.592SS.*Hα-helixtrans-65.1-43.1179.5-59.6-53.7000111.1S746 Q747 L752 F753 D754S746-D750 VanDerWaalsContact C-OD2 3.23Å; S746-D750 PolarHBondContact O-N 3.18Å; S746-D750 VanDerWaalsContact O-OD2 3.06Å; S746-D750 PolarHBondContact OG-OD2 3.3Å; Q747-D750 PolarHBondContact O-N 3.3Å; D750-L752 VanDerWaalsContact C-N 3.27Å; D750-L752 PolarHBondContact O-N 3.35Å; D750-F753 PolarHBondContact O-N 3.33Å; D750-D754 PolarHBondContact O-N 2.89Å
751D75.7Confident59.4Low70 Ų70101.3 Ų101.337%0.37459%0.585SS.*Hα-helixtrans-58.3-36.3172-714.7000112Q747 D754 I755Q747-D751 PolarHBondContact NE2-OD1 3.14Å; Q747-D751 WeakPolarHBondContact O-CB 3.34Å; Q747-D751 PolarHBondContact O-N 2.85Å; D751-D754 PolarHBondContact O-N 3.06Å; D751-I755 WeakPolarHBondContact O-CD1 3.4Å; D751-I755 VanDerWaalsContact O-CG1 3.23Å; D751-I755 WeakPolarHBondContact O-CG1 3.45Å; D751-I755 PolarHBondContact O-N 3.36Å
752L77.9Confident59.5Low102 Ų102100.3 Ų100.353%0.53459%0.585SS.*Hα-helixtrans-68.3-41.1176.9-86.7167.2000112.3Q748 M749 D750 L756Q748-L752 WeakPolarHBondContact O-CD1 3.5Å; M749-L752 WeakPolarHBondContact O-CB 3.35Å; M749-L752 PolarHBondContact O-N 3.09Å; M749-L752 HydrophobicContact SD-CD1 4.39Å; D750-L752 VanDerWaalsContact C-N 3.27Å; D750-L752 PolarHBondContact O-N 3.35Å; L752-L756 WeakPolarHBondContact O-CB 3.47Å; L752-L756 PolarHBondContact O-N 2.89Å
753F61.4Low59.7Low123 Ų12397.7 Ų97.754%0.53958%0.578SS.*Hα-helixtrans-65.2-40.3173.6-80.5-69.7000111.7M749 D750 L756 I757M749-F753 HydrophobicContact CE-CE2 4.47Å; M749-F753 VanDerWaalsContact O-CD2 3.3Å; M749-F753 WeakPolarHBondContact O-CD2 3.19Å; M749-F753 PolarHBondContact O-N 3.48Å; M749-F753 VanDerWaalsContact O-N 3.1Å; D750-F753 PolarHBondContact O-N 3.33Å; F753-L756 PolarHBondContact O-N 2.86Å; F753-I757 WeakPolarHBondContact O-CB 3.48Å; F753-I757 VanDerWaalsContact O-CG1 3.3Å; F753-I757 WeakPolarHBondContact O-CG1 3.4Å; F753-I757 PolarHBondContact O-N 3.33Å
754D70.6Confident59.3Low67 Ų67105.8 Ų105.836%0.35859%0.593SS.*Hα-helixtrans-69.5-35.5-178.8-147.522.1000111.9K6 D750 D751 Q758K6-D754 IonicContact NZ-OD1 2.63Å; K6-D754 PolarHBondContact NZ-OD1 3.4Å; K6-D754 IonicContact NZ-OD2 2.67Å; K6-D754 PolarHBondContact NZ-OD2 2.88Å; D750-D754 PolarHBondContact O-N 2.89Å; D751-D754 PolarHBondContact O-N 3.06Å; D754-Q758 WeakPolarHBondContact O-CB 3.43Å; D754-Q758 PolarHBondContact O-N 3.01Å
755I75.7Confident58.6Low114 Ų114108.5 Ų108.559%0.58560%0.601SS**Hα-helixtrans-62-45.8168.5-70.9163.8000111.2D751 Q758 S759D751-I755 WeakPolarHBondContact O-CD1 3.4Å; D751-I755 VanDerWaalsContact O-CG1 3.23Å; D751-I755 WeakPolarHBondContact O-CG1 3.45Å; D751-I755 PolarHBondContact O-N 3.36Å; I755-Q758 PolarHBondContact O-N 2.93Å; I755-S759 PolarHBondContact O-N 3.33Å
756L75.8Confident57.8Low115 Ų115113.9 Ų113.960%0.60261%0.611SS**Hα-helixtrans-63-45.3-179.3-163.274.3000111L752 F753 Q758 S759 G760L752-L756 WeakPolarHBondContact O-CB 3.47Å; L752-L756 PolarHBondContact O-N 2.89Å; F753-L756 PolarHBondContact O-N 2.86Å; L756-Q758 PolarHBondContact O-N 3.04Å; L756-S759 PolarHBondContact O-N 3.26Å; L756-S759 VanDerWaalsContact O-N 3.15Å; L756-S759 PolarHBondContact O-OG 2.95Å; L756-G760 PolarHBondContact O-N 3.45Å; L756-G760 VanDerWaalsContact O-N 3.12Å
757I68.1Low57.2Low124 Ų124115.4 Ų115.464%0.63662%0.622SS**Hα-helixtrans-61.4-42.8174.2-69.2165.7000110.9F753 S759 G760F753-I757 WeakPolarHBondContact O-CB 3.48Å; F753-I757 VanDerWaalsContact O-CG1 3.3Å; F753-I757 WeakPolarHBondContact O-CG1 3.4Å; F753-I757 PolarHBondContact O-N 3.33Å; I757-S759 PolarHBondContact O-N 2.87Å; I757-G760 PolarHBondContact O-N 3.45Å; I757-G760 VanDerWaalsContact O-N 3.12Å
758Q60.4Low56Low89 Ų89120 Ų12042%0.41663%0.634SS.*Hα-helixtrans-63.9-22.7178-166.967.495.600112.8P4 D754 I755 L756P4-Q758 HydrophobicContact CB-CG 4.39Å; D754-Q758 WeakPolarHBondContact O-CB 3.43Å; D754-Q758 PolarHBondContact O-N 3.01Å; I755-Q758 PolarHBondContact O-N 2.93Å; L756-Q758 PolarHBondContact O-N 3.04Å
759S57Low54.7Low87 Ų87122.8 Ų122.861%0.60865%0.645SS**Hα-helixtrans-90.8-17174.473.90000115.1I755 L756 I757 G761I755-S759 PolarHBondContact O-N 3.33Å; L756-S759 PolarHBondContact O-N 3.26Å; L756-S759 VanDerWaalsContact O-N 3.15Å; L756-S759 PolarHBondContact O-OG 2.95Å; I757-S759 PolarHBondContact O-N 2.87Å; S759-G761 PolarHBondContact O-N 3.2Å
760G56.4Low52.9Low63 Ų63127.4 Ų127.465%0.64967%0.665SS**  trans-75.637.3-17300000116.4L756 I757L756-G760 PolarHBondContact O-N 3.45Å; L756-G760 VanDerWaalsContact O-N 3.12Å; I757-G760 PolarHBondContact O-N 3.45Å; I757-G760 VanDerWaalsContact O-N 3.12Å
761G39.4Very low51Low69 Ų69127.5 Ų127.571%0.71169%0.685SS**  trans-74.6123.6-179.300000113.6S759S759-G761 PolarHBondContact O-N 3.2Å
762N37.1Very low48.8Very low150 Ų150129.1 Ų129.180%0.80271%0.707SS**  trans-56.9139.8-170.2-143.119.2000114.5R764N762-R764 PolarHBondContact O-N 3.47Å
763P44.3Very low46.6Very low121 Ų121128.9 Ų128.979%0.78672%0.72SS**SBendtrans-82.473.8-17134.2-36000113.3
764R38.8Very low45Very low218 Ų218131 Ų13182%0.82374%0.735SS**  trans-139.792.7165.1-75.9-171175.3176.9-0.9110.9N762N762-R764 PolarHBondContact O-N 3.47Å
765N35.5Very low43.4Very low154 Ų154133.4 Ų133.482%0.82476%0.755SS**  trans164.763.9149.2-84.3-24.9000111.1
766F34.6Very low41.1Very low219 Ų219132.7 Ų132.796%0.96177%0.766SS**  trans-125.948.2173.1-115.8-84.3000111.2
767S36.5Very low38.9Very low108 Ų108139 Ų13976%0.75578%0.782SS**  trans-135.436.5-175.354.80000113.3
768R35.3Very low37.2Very low213 Ų213141.7 Ų141.780%0.80479%0.791SS**SBendtrans-155148.4164.9-151.6166.2-69.9-171.2-1.3110.3
769F34.3Very low35.7Very low187 Ų187141 Ų14182%0.8281%0.808SS**  trans71.163177.4-55.4-73.5000118.2
770Q29.1Very low34.3Very low204 Ų204145.4 Ų145.495%0.95382%0.819SS**  trans-142.5130.4135.6-147.2129.1104.600108.9
771G28.2Very low33.1Very low81 Ų81146.5 Ų146.584%0.83582%0.822SS**  trans164.849.1-166.600000115
772A29Very low32.9Very low103 Ų103149.9 Ų149.985%0.85182%0.823SS**  trans-142.9131.9167.200000108.2
773A31.3Very low33.2Very low97 Ų97147.7 Ų147.780%0.80282%0.816SS**  trans-85.5164-163.600000114.5
774I28.7Very low32.6Very low167 Ų167150.2 Ų150.286%0.85682%0.818SS**  -156.1144127.4-103.6154.7000108.7
775P35.5Very low32.3Very low119 Ų119146.2 Ų146.277%0.77381%0.813SS**  trans-97.7172.1-161.738.4-37.8000115.8
776A28.8Very low32.1Very low99 Ų99143.4 Ų143.482%0.81881%0.805SS**  trans-78.4175.8179.500000114.3
777R28.7Very low32Very low247 Ų247140.8 Ų140.893%0.93280%0.8SS**  trans-147126.8162.2-144.6-172.9-171.5-147.5-2.4112.3
778E31.7Very low31.6Very low180 Ų180145.8 Ų145.884%0.84180%0.803SS**  trans-78.7170163.8-64145.9144.500110
779G28.8Very low31.4Very low74 Ų74140.6 Ų140.676%0.76379%0.794SS**  cis114.958.6-2.600000115.5
780E29.1Very low31.8Very low180 Ų180137 Ų13784%0.84179%0.79SS**  trans-154.6176153.2-132.7-162148.500112.6
781A29.9Very low32.6Very low87 Ų87133.2 Ų133.272%0.71978%0.783SS**  trans-133.4-140.9-169.900000111.8
782I34.7Very low32.7Very low140 Ų140132.7 Ų132.772%0.71878%0.778SS**  trans80.8137.1171.2-52.6174.1000112.8
783P44.5Very low32.8Very low103 Ų103133.3 Ų133.367%0.66978%0.776SS**  cis-121.2178.419.542.5-29.8000116.6
784E31.7Very low33Very low175 Ų175135 Ų13582%0.81878%0.777SS**  -157.5169.8123.5-86.7-50.678.200110
785D31.4Very low33.2Very low133 Ų133130.6 Ų130.671%0.71177%0.765SS**  trans-42.7136.6-159.1-91.3-39.3000125.2
786S32.9Very low33.2Very low95 Ų95132.1 Ų132.166%0.66477%0.765SS**  24.9130.7108.6-38.20000121.6
787L32.7Very low33.5Very low165 Ų165132.5 Ų132.586%0.86476%0.757SS**  161.911292.6-167.767.1000115.9
788W26.6Very low33.7Very low213 Ų213129.6 Ų129.681%0.80775%0.752SS**  trans4396.8137.7-144.3-96.7000124.5
789V31.9Very low34.2Very low103 Ų103130.4 Ų130.462%0.62478%0.775SS**  47.7139.799173.60000120.1
790P43Very low34.4Very low112 Ų112133.3 Ų133.373%0.72778%0.776SS**  cis-130.1-122.3-27.231.9-6.1000114.1
791P46Very low34.7Very low124 Ų124130.8 Ų130.881%0.80577%0.772SS**  -122.7174.9-102.937.6-18000116.3
792G30.4Very low35Very low71 Ų71133.2 Ų133.273%0.73278%0.775SS**  trans154.2120.3152.500000119.4
793S30.9Very low35Very low115 Ų115132.8 Ų132.880%0.80478%0.778SS**  trans46.5110.1139-58.30000123
794T34.7Very low34.4Very low134 Ų134134.7 Ų134.782%0.82279%0.785SS**  82.7125.7113.8-560000121.5
795A34.1Very low34.6Very low73 Ų73132 Ų13260%0.60378%0.783SS**  trans92.3120.8143.400000123.3
796I35.2Very low34.8Very low152 Ų152131.9 Ų131.978%0.77979%0.788SS**  77.395.2122.7-62.6173.1000119.6
797T34.6Very low35Very low106 Ų106134.8 Ų134.865%0.6580%0.798SS**  71.6146.8117.6-40.10000121.7
798F32.8Very low35.2Very low187 Ų187132.3 Ų132.382%0.8279%0.792SS**  trans74.7143.4174.8-62.3-69.3000116
799C41.9Very low35.9Very low197 Ų197124.9 Ų124.9100%1.33179%0.791SS**  cis-107.10-0.1-68.30000112.8

Retrieved 799 of 799 residues in 98.8 ms (Link to these results)