Z4YN97_MOUSE Loading...

Adenylate kinase 1

AlphaFold DB , UniProt , Accession Z4YN97, Species MOUSE (Mus musculus, Mouse), Gene Ak1, Length 89 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
1M63.8Low85.6Confident128 Ų128106.8 Ų106.863%0.63151%0.506SS*.  0-47.40-118.2171.8142.900112.1E3 K4 L5 L81M1-E3 VanDerWaalsContact C-N 3.26Å; M1-E3 PolarHBondContact O-N 2.79Å; M1-K4 WeakPolarHBondContact O-CB 3.18Å; M1-K4 PolarHBondContact O-N 3.45Å; M1-K4 VanDerWaalsContact O-N 3.08Å; M1-L5 PolarHBondContact O-N 3.4Å; M1-L81 HydrophobicContact CB-CD2 3.84Å; M1-L81 HydrophobicContact CE-CB 3.71Å; M1-L81 HydrophobicContact CE-CD2 3.81Å; M1-L81 HydrophobicContact CE-CG 4.29Å; M1-L81 WeakPolarHBondContact CE-O 3.26Å; M1-L81 HydrophobicContact CG-CD2 3.81Å; M1-L81 HydrophobicContact SD-CD2 3.94Å
2E70.6Confident86.5Confident115 Ų115112.1 Ų112.154%0.53753%0.526SS..Hα-helixtrans-57.1-34.2176.2-68.8-177.8162.500114.5K4 L5 K6 R77E2-K4 VanDerWaalsContact C-N 3.29Å; E2-K4 PolarHBondContact O-N 2.62Å; E2-L5 PolarHBondContact O-N 3.08Å; E2-K6 PolarHBondContact O-N 3.25Å; E2-K6 VanDerWaalsContact O-N 3.1Å; E2-R77 IonicContact OE1-CZ 3.58Å; E2-R77 IonicContact OE1-NH2 3.95Å; E2-R77 PolarHBondContact OE1-NH2 3.29Å
3E80.1Confident87.3Confident116 Ų116108.6 Ų108.654%0.54252%0.517SS..Hα-helixtrans-66.2-30.5178-144.9-99.9167.200112.5M1 K7M1-E3 VanDerWaalsContact C-N 3.26Å; M1-E3 PolarHBondContact O-N 2.79Å; E3-K7 PolarHBondContact O-N 2.71Å; E3-K7 WeakPolarHBondContact OE1-CE 3.43Å; E3-K7 IonicContact OE1-NZ 2.71Å; E3-K7 PolarHBondContact OE1-NZ 3.11Å; E3-K7 IonicContact OE2-NZ 2.79Å; E3-K7 PolarHBondContact OE2-NZ 3.39Å
4K83.4Confident87.9Confident107 Ų107110.5 Ų110.547%0.46554%0.538SS..Hα-helixtrans-69.2-42.8172.9-68.5-175.8173.9-179.40111.2M1 E2 K6 K7 A8 V84 D85M1-K4 WeakPolarHBondContact O-CB 3.18Å; M1-K4 PolarHBondContact O-N 3.45Å; M1-K4 VanDerWaalsContact O-N 3.08Å; E2-K4 VanDerWaalsContact C-N 3.29Å; E2-K4 PolarHBondContact O-N 2.62Å; K4-K6 VanDerWaalsContact C-N 3.29Å; K4-K6 PolarHBondContact O-N 2.68Å; K4-K7 PolarHBondContact O-N 3.24Å; K4-K7 VanDerWaalsContact O-N 3.11Å; K4-A8 PolarHBondContact O-N 3.39Å; K4-V84 HydrophobicContact CB-CG2 3.9Å; K4-D85 IonicContact NZ-OD1 2.89Å; K4-D85 PolarHBondContact NZ-OD1 3.28Å; K4-D85 IonicContact NZ-OD2 2.62Å
5L87.3Confident88.3Confident28 Ų28105.7 Ų105.715%0.14753%0.528CS..Hα-helixtrans-61.3-38176.6-69.5176.5000112M1 E2 K7 A8 M80 L81 V84M1-L5 PolarHBondContact O-N 3.4Å; E2-L5 PolarHBondContact O-N 3.08Å; L5-K7 PolarHBondContact O-N 3.1Å; L5-A8 WeakPolarHBondContact O-CB 3.48Å; L5-A8 PolarHBondContact O-N 3.01Å; L5-M80 HydrophobicContact CD2-CB 3.82Å; L5-M80 HydrophobicContact CD2-CE 4.1Å; L5-L81 HydrophobicContact CD1-CD2 3.59Å; L5-L81 HydrophobicContact CD1-CG 4.07Å; L5-L81 HydrophobicContact CG-CD2 4.11Å; L5-V84 HydrophobicContact CD2-CB 4.15Å; L5-V84 HydrophobicContact CD2-CG2 3.92Å
6K88.4Confident88.6Confident179 Ų179101.8 Ų101.878%0.77852%0.523SS*.Hα-helixtrans-63.9-26.2176.1-73-177.5178.9-179.50113.8E2 K4E2-K6 PolarHBondContact O-N 3.25Å; E2-K6 VanDerWaalsContact O-N 3.1Å; K4-K6 VanDerWaalsContact C-N 3.29Å; K4-K6 PolarHBondContact O-N 2.68Å
7K89.3Confident88.7Confident153 Ų153104 Ų10467%0.66555%0.546SS*.Hα-helixtrans-94.1-14.2177.7-68.8174.4-179.7158.90112.8E3 K4 L5E3-K7 PolarHBondContact O-N 2.71Å; E3-K7 WeakPolarHBondContact OE1-CE 3.43Å; E3-K7 IonicContact OE1-NZ 2.71Å; E3-K7 PolarHBondContact OE1-NZ 3.11Å; E3-K7 IonicContact OE2-NZ 2.79Å; E3-K7 PolarHBondContact OE2-NZ 3.39Å; K4-K7 PolarHBondContact O-N 3.24Å; K4-K7 VanDerWaalsContact O-N 3.11Å; L5-K7 PolarHBondContact O-N 3.1Å
8A92.3Very high88.9Confident35 Ų35103.1 Ų103.129%0.28957%0.565SS.*SBendtrans-69.2145.617700000110.8K4 L5 I10K4-A8 PolarHBondContact O-N 3.39Å; L5-A8 WeakPolarHBondContact O-CB 3.48Å; L5-A8 PolarHBondContact O-N 3.01Å; A8-I10 PolarHBondContact O-N 3.22Å
9K94.9Very high89.3Confident127 Ų127101.3 Ų101.355%0.55256%0.561SS**  trans-87.6110.6178-178.1-179.7-79.1170.90109.8Y34 G89K9-Y34 HydrophobicContact CD-CE1 4.16Å; K9-Y34 WeakPolarHBondContact CD-OH 3.27Å; K9-Y34 HydrophobicContact CG-CE1 4.4Å; K9-G89 WeakPolarHBondContact O-CA 3.33Å
10I95.3Very high89.6Confident87 Ų8797.8 Ų97.845%0.44655%0.549SS..  trans-103.5130.2-178.1-58.1168.2000109.4A8 F12 M80A8-I10 PolarHBondContact O-N 3.22Å; I10-F12 HydrophobicContact CG2-CE1 4.12Å; I10-F12 HydrophobicContact CG2-CZ 4.28Å; I10-M80 HydrophobicContact CD1-CE 3.57Å; I10-M80 HydrophobicContact CG1-CE 3.98Å
11I96.4Very high89.9Confident100 Ų10096.1 Ų96.151%0.51354%0.536SS..  trans-123118.1177.3-56.3176.7000108.6V13 Y34I11-V13 HydrophobicContact CG2-CG2 4.35Å; I11-Y34 HydrophobicContact CD1-CD1 4.37Å; I11-Y34 HydrophobicContact CD1-CE1 3.65Å; I11-Y34 HydrophobicContact CG1-CE1 4.31Å
12F96.3Very high91.4Very high170 Ų17091.6 Ų91.675%0.74652%0.522SS*.  trans-83.8124170.7-64.5-50.5000110.5I10 V14I10-F12 HydrophobicContact CG2-CE1 4.12Å; I10-F12 HydrophobicContact CG2-CZ 4.28Å; F12-V14 HydrophobicContact CB-CG2 4.32Å
13V96.3Very high92.7Very high67 Ų6789.8 Ų89.841%0.40652%0.519SS..  trans-106.8107.1175.2-175.90000108.5I11 K21I11-V13 HydrophobicContact CG2-CG2 4.35Å; V13-K21 HydrophobicContact CG1-CB 4.1Å; V13-K21 HydrophobicContact CG1-CD 4.42Å; V13-K21 HydrophobicContact CG1-CG 4.05Å
14V95.8Very high93.5Very high135 Ų13589.2 Ų89.282%0.81852%0.516SS*.  trans-116.2145.2-172.6-172.40000110.3F12F12-V14 HydrophobicContact CB-CG2 4.32Å
15G94.4Very high94.2Very high38 Ų3884.6 Ų84.639%0.39250%0.497SS..  trans166.8159.4-178.700000112.1K21G15-K21 VanDerWaalsContact O-CE 3.31Å; G15-K21 WeakPolarHBondContact O-CE 3.42Å; G15-K21 PolarHBondContact O-NZ 3.46Å
16G92.3Very high94.6Very high43 Ų4388.6 Ų88.644%0.44352%0.516SS..  trans-66.1167.9-177.200000114.5S19 K21G16-S19 VanDerWaalsContact O-CB 3.31Å; G16-S19 WeakPolarHBondContact O-CB 3.17Å; G16-S19 PolarHBondContact O-N 3.47Å; G16-S19 PolarHBondContact O-OG 3.31Å; G16-S19 VanDerWaalsContact O-OG 3.06Å; G16-K21 PolarHBondContact O-NZ 3.5Å
17P90.1Very high95.1Very high140 Ų14085.5 Ų85.591%0.90950%0.502SS*.THydrogen-bonded Turntrans-53.5139.6171.2-23.134000111.2S19P17-S19 PolarHBondContact O-N 3.31Å
18G92.7Very high95.5Very high87 Ų8780.9 Ų80.990%0.89748%0.484SS*.THydrogen-bonded Turntrans75.5-2.8179.900000116.3G20G18-G20 PolarHBondContact O-N 3.07Å
19S96.5Very high95.7Very high70 Ų7081.7 Ų81.749%0.4949%0.485SS..SBendtrans-72.34-176.978.20000115.6G16 P17 K21G16-S19 VanDerWaalsContact O-CB 3.31Å; G16-S19 WeakPolarHBondContact O-CB 3.17Å; G16-S19 PolarHBondContact O-N 3.47Å; G16-S19 PolarHBondContact O-OG 3.31Å; G16-S19 VanDerWaalsContact O-OG 3.06Å; P17-S19 PolarHBondContact O-N 3.31Å; S19-K21 WeakPolarHBondContact OG-CG 3.48Å; S19-K21 PolarHBondContact OG-NZ 3.05Å
20G96.1Very high95.8Very high31 Ų3183.4 Ų83.432%0.3250%0.495SS..  trans77.916.3177.700000116.5G18 G22 T23 Q24G18-G20 PolarHBondContact O-N 3.07Å; G20-G22 PolarHBondContact O-N 3.47Å; G20-T23 WeakPolarHBondContact O-CB 3.32Å; G20-T23 PolarHBondContact O-N 3.36Å; G20-Q24 PolarHBondContact O-N 3.46Å
21K96.3Very high95.9Very high62 Ų6286.5 Ų86.527%0.2751%0.506SS..Hα-helixtrans-52.7-52.1179.4-65.1177.4-63.6-66.20112.9V13 G15 G16 S19 T23 Q24 C25V13-K21 HydrophobicContact CG1-CB 4.1Å; V13-K21 HydrophobicContact CG1-CD 4.42Å; V13-K21 HydrophobicContact CG1-CG 4.05Å; G15-K21 VanDerWaalsContact O-CE 3.31Å; G15-K21 WeakPolarHBondContact O-CE 3.42Å; G15-K21 PolarHBondContact O-NZ 3.46Å; G16-K21 PolarHBondContact O-NZ 3.5Å; S19-K21 WeakPolarHBondContact OG-CG 3.48Å; S19-K21 PolarHBondContact OG-NZ 3.05Å; K21-T23 VanDerWaalsContact C-N 3.33Å; K21-T23 PolarHBondContact O-N 2.87Å; K21-Q24 PolarHBondContact O-N 3.02Å; K21-Q24 VanDerWaalsContact O-N 3.09Å; K21-C25 PolarHBondContact O-N 2.94Å; K21-C25 PolarHBondContact O-SG 3.46Å
22G94.7Very high95.9Very high33 Ų3387.9 Ų87.934%0.3451%0.505SS..Hα-helixtrans-57-46.8-179.100000111.7G20 Q24 C25 E26G20-G22 PolarHBondContact O-N 3.47Å; G22-Q24 VanDerWaalsContact C-N 3.3Å; G22-Q24 PolarHBondContact O-N 3.07Å; G22-C25 WeakPolarHBondContact O-CB 3.43Å; G22-C25 PolarHBondContact O-N 3.34Å; G22-C25 VanDerWaalsContact O-N 3.16Å; G22-E26 WeakPolarHBondContact O-CG 3.49Å; G22-E26 PolarHBondContact O-N 3.08Å
23T97Very high95.8Very high77 Ų7781.4 Ų81.447%0.47249%0.487SS..Hα-helixtrans-59.1-38.4176.2-490000112.9G20 K21 K27G20-T23 WeakPolarHBondContact O-CB 3.32Å; G20-T23 PolarHBondContact O-N 3.36Å; K21-T23 VanDerWaalsContact C-N 3.33Å; K21-T23 PolarHBondContact O-N 2.87Å; T23-K27 WeakPolarHBondContact O-CG 3.44Å; T23-K27 PolarHBondContact O-N 3.33Å
24Q97.8Very high95.8Very high104 Ų10480.4 Ų80.449%0.48648%0.476SS..Hα-helixtrans-74.4-39.3176-65.1-61.4-2300111.9G20 K21 G22 E26 K27 I28G20-Q24 PolarHBondContact O-N 3.46Å; K21-Q24 PolarHBondContact O-N 3.02Å; K21-Q24 VanDerWaalsContact O-N 3.09Å; G22-Q24 VanDerWaalsContact C-N 3.3Å; G22-Q24 PolarHBondContact O-N 3.07Å; Q24-E26 VanDerWaalsContact C-N 3.32Å; Q24-E26 PolarHBondContact O-N 3.14Å; Q24-K27 PolarHBondContact O-N 3.47Å; Q24-I28 WeakPolarHBondContact O-CG1 3.21Å; Q24-I28 PolarHBondContact O-N 3.47Å
25C97.3Very high95.8Very high10 Ų1076.1 Ų76.17%0.06845%0.45CS..Hα-helixtrans-58.8-43.3174.2-69.50000111.5K21 G22 K27 I28 V29 H36K21-C25 PolarHBondContact O-N 2.94Å; K21-C25 PolarHBondContact O-SG 3.46Å; G22-C25 WeakPolarHBondContact O-CB 3.43Å; G22-C25 PolarHBondContact O-N 3.34Å; G22-C25 VanDerWaalsContact O-N 3.16Å; C25-K27 VanDerWaalsContact C-N 3.33Å; C25-K27 PolarHBondContact O-N 3.07Å; C25-I28 WeakPolarHBondContact O-CB 3.02Å; C25-I28 PolarHBondContact O-N 3.34Å; C25-I28 VanDerWaalsContact O-N 3.11Å; C25-V29 VanDerWaalsContact O-CG2 3.29Å; C25-V29 WeakPolarHBondContact O-CG2 3.49Å; C25-V29 PolarHBondContact O-N 3.33Å; C25-H36 HydrophobicContact CB-CB 4.35Å; C25-H36 VanDerWaalsContact CB-CD2 3.45Å; C25-H36 WeakPolarHBondContact CB-CD2 3.34Å
26E97.3Very high95.9Very high113 Ų11378 Ų7853%0.52845%0.449SS..Hα-helixtrans-57.9-43.7175.4-74.6169.7-17500112.2G22 Q24 I28 V29 Q30G22-E26 WeakPolarHBondContact O-CG 3.49Å; G22-E26 PolarHBondContact O-N 3.08Å; Q24-E26 VanDerWaalsContact C-N 3.32Å; Q24-E26 PolarHBondContact O-N 3.14Å; E26-I28 VanDerWaalsContact C-N 3.34Å; E26-I28 PolarHBondContact O-N 2.93Å; E26-V29 PolarHBondContact O-N 3.47Å; E26-Q30 WeakPolarHBondContact O-CG 3.23Å; E26-Q30 PolarHBondContact O-N 2.96Å
27K97.9Very high96.1Very high113 Ų11378.8 Ų78.849%0.49144%0.442SS..Hα-helixtrans-64.7-37.6175.2-68175.9-177.8-179.30112.2T23 Q24 C25 Q30 K31T23-K27 WeakPolarHBondContact O-CG 3.44Å; T23-K27 PolarHBondContact O-N 3.33Å; Q24-K27 PolarHBondContact O-N 3.47Å; C25-K27 VanDerWaalsContact C-N 3.33Å; C25-K27 PolarHBondContact O-N 3.07Å; K27-Q30 PolarHBondContact O-N 3.31Å; K27-K31 VanDerWaalsContact O-CB 3.26Å; K27-K31 WeakPolarHBondContact O-CB 3.27Å; K27-K31 PolarHBondContact O-N 3.25Å
28I96.9Very high96.3Very high57 Ų5773.7 Ų73.729%0.29241%0.41SS..Hα-helixtrans-65-44.8176.1-69.4165.6000110.4Q24 C25 E26 K31 Y32 Y34Q24-I28 WeakPolarHBondContact O-CG1 3.21Å; Q24-I28 PolarHBondContact O-N 3.47Å; C25-I28 WeakPolarHBondContact O-CB 3.02Å; C25-I28 PolarHBondContact O-N 3.34Å; C25-I28 VanDerWaalsContact O-N 3.11Å; E26-I28 VanDerWaalsContact C-N 3.34Å; E26-I28 PolarHBondContact O-N 2.93Å; I28-K31 PolarHBondContact O-N 2.86Å; I28-Y32 HydrophobicContact CB-CD2 4.47Å; I28-Y32 HydrophobicContact CG2-CD2 4.09Å; I28-Y32 WeakPolarHBondContact O-CB 3.4Å; I28-Y32 WeakPolarHBondContact O-CD2 3.45Å; I28-Y32 PolarHBondContact O-N 3.34Å; I28-Y34 HydrophobicContact CG2-CG 4.4Å
29V96.6Very high96.2Very high51 Ų5172.8 Ų72.831%0.30939%0.387SS..Hα-helixtrans-57.1-51.8174.9171.70000110.1C25 E26 K31 G33 Y34 H36C25-V29 VanDerWaalsContact O-CG2 3.29Å; C25-V29 WeakPolarHBondContact O-CG2 3.49Å; C25-V29 PolarHBondContact O-N 3.33Å; E26-V29 PolarHBondContact O-N 3.47Å; V29-K31 VanDerWaalsContact C-N 3.35Å; V29-K31 PolarHBondContact O-N 3.42Å; V29-G33 VanDerWaalsContact O-CA 3.27Å; V29-G33 WeakPolarHBondContact O-CA 3.46Å; V29-G33 PolarHBondContact O-N 2.98Å; V29-Y34 WeakPolarHBondContact CG1-O 3.47Å; V29-Y34 WeakPolarHBondContact CG2-O 3.35Å; V29-H36 HydrophobicContact CG2-CB 3.59Å
30Q97.4Very high95.8Very high163 Ų16370.5 Ų70.576%0.76237%0.374SS*.Hα-helixtrans-61.6-40.4-178.9-72.2173.41.900113E26 K27E26-Q30 WeakPolarHBondContact O-CG 3.23Å; E26-Q30 PolarHBondContact O-N 2.96Å; K27-Q30 PolarHBondContact O-N 3.31Å
31K97.3Very high95.6Very high153 Ų15372.9 Ų72.967%0.66538%0.38SS*.Hα-helixtrans-83.3-34.6-174.7-174.6171179.1-175.20113.6K27 I28 V29K27-K31 VanDerWaalsContact O-CB 3.26Å; K27-K31 WeakPolarHBondContact O-CB 3.27Å; K27-K31 PolarHBondContact O-N 3.25Å; I28-K31 PolarHBondContact O-N 2.86Å; V29-K31 VanDerWaalsContact C-N 3.35Å; V29-K31 PolarHBondContact O-N 3.42Å
32Y96Very high95.4Very high128 Ų12871.9 Ų71.950%0.50238%0.377SS..Hα-helixtrans-121-7.1-169.1-57-75.8000114.2I28 Y34I28-Y32 HydrophobicContact CB-CD2 4.47Å; I28-Y32 HydrophobicContact CG2-CD2 4.09Å; I28-Y32 WeakPolarHBondContact O-CB 3.4Å; I28-Y32 WeakPolarHBondContact O-CD2 3.45Å; I28-Y32 PolarHBondContact O-N 3.34Å; Y32-Y34 PolarHBondContact O-N 2.91Å
33G94.7Very high95.3Very high35 Ų3571.3 Ų71.336%0.36137%0.366SS..  trans69.828.1178.100000114.4V29 N88V29-G33 VanDerWaalsContact O-CA 3.27Å; V29-G33 WeakPolarHBondContact O-CA 3.46Å; V29-G33 PolarHBondContact O-N 2.98Å; G33-N88 WeakPolarHBondContact O-CB 3.43Å; G33-N88 PolarHBondContact O-N 3.01Å
34Y96.5Very high95Very high45 Ų4574 Ų7418%0.17637%0.367CS..PPolyproline II helixtrans-76.1162.5173.8-80.3-122.2000110.3K9 I11 I28 V29 Y32K9-Y34 HydrophobicContact CD-CE1 4.16Å; K9-Y34 WeakPolarHBondContact CD-OH 3.27Å; K9-Y34 HydrophobicContact CG-CE1 4.4Å; I11-Y34 HydrophobicContact CD1-CD1 4.37Å; I11-Y34 HydrophobicContact CD1-CE1 3.65Å; I11-Y34 HydrophobicContact CG1-CE1 4.31Å; I28-Y34 HydrophobicContact CG2-CG 4.4Å; V29-Y34 WeakPolarHBondContact CG1-O 3.47Å; V29-Y34 WeakPolarHBondContact CG2-O 3.35Å; Y32-Y34 PolarHBondContact O-N 2.91Å
35T96.5Very high94.7Very high45 Ų4571.8 Ų71.828%0.27637%0.368SS..PPolyproline II helixtrans-96.6119.4168.1-64.40000109.7L37 K83 S87 G89T35-L37 HydrophobicContact CG2-CD2 3.86Å; T35-L37 HydrophobicContact CG2-CG 4.13Å; T35-K83 HydrophobicContact CG2-CB 4.2Å; T35-K83 HydrophobicContact CG2-CG 4.12Å; T35-S87 VanDerWaalsContact CB-OG 3.23Å; T35-S87 WeakPolarHBondContact CB-OG 3.44Å; T35-S87 PolarHBondContact N-OG 3.06Å; T35-S87 VanDerWaalsContact N-OG 3.13Å; T35-S87 VanDerWaalsContact OG1-CB 3.27Å; T35-S87 WeakPolarHBondContact OG1-CB 3.31Å; T35-S87 PolarHBondContact OG1-OG 3.03Å; T35-G89 PolarHBondContact N-O 3.34Å
36H96.5Very high94.4Very high79 Ų7972.9 Ų72.937%0.36637%0.372SS..PPolyproline II helixtrans-83.5119.3172.1176.6-137.2000110.4C25 V29C25-H36 HydrophobicContact CB-CB 4.35Å; C25-H36 VanDerWaalsContact CB-CD2 3.45Å; C25-H36 WeakPolarHBondContact CB-CD2 3.34Å; V29-H36 HydrophobicContact CG2-CB 3.59Å
37L95.8Very high94.2Very high59 Ų5969.4 Ų69.431%0.30936%0.358SS..  trans-113.6121171.6-60.3-179.9000109.6T35 L76 A79 M80T35-L37 HydrophobicContact CG2-CD2 3.86Å; T35-L37 HydrophobicContact CG2-CG 4.13Å; L37-L76 HydrophobicContact CB-CD1 3.98Å; L37-L76 HydrophobicContact CD1-CD1 4.06Å; L37-A79 HydrophobicContact CD1-CB 4.17Å; L37-A79 HydrophobicContact CD2-CB 4.15Å; L37-M80 HydrophobicContact CD1-CB 4.39Å; L37-M80 HydrophobicContact CD1-CG 3.5Å; L37-M80 VanDerWaalsContact CD1-CG 3.5Å
38S94.1Very high93.9Very high32 Ų3269 Ų6922%0.22437%0.369CS..  trans-113.2119.6179.11560000108.5G40 D41 L42S38-G40 PolarHBondContact O-N 2.69Å; S38-D41 WeakPolarHBondContact CB-OD2 3.45Å; S38-D41 PolarHBondContact O-N 3.27Å; S38-D41 PolarHBondContact OG-N 2.9Å; S38-D41 PolarHBondContact OG-OD2 3.49Å; S38-L42 WeakPolarHBondContact O-CG 3.41Å; S38-L42 PolarHBondContact O-N 2.84Å
39T90.6Very high93.7Very high69 Ų6969.8 Ų69.842%0.42338%0.38SS..Hα-helixtrans-59-35.7179.951.30000111.8L42 L43 V72T39-L42 PolarHBondContact O-N 3.29Å; T39-L43 WeakPolarHBondContact O-CB 3.49Å; T39-L43 VanDerWaalsContact O-CG 3.24Å; T39-L43 WeakPolarHBondContact O-CG 3.46Å; T39-L43 PolarHBondContact O-N 2.76Å; T39-V72 HydrophobicContact CG2-CG1 3.68Å
40G88.1Confident93.4Very high21 Ų2169.4 Ų69.422%0.21639%0.387CS..Hα-helixtrans-64.1-39.117500000113.2S38 R44S38-G40 PolarHBondContact O-N 2.69Å; G40-R44 WeakPolarHBondContact O-CG 3.42Å; G40-R44 VanDerWaalsContact O-CZ 3.25Å; G40-R44 PolarHBondContact O-N 2.58Å; G40-R44 VanDerWaalsContact O-N 3.08Å; G40-R44 PolarHBondContact O-NE 3.13Å; G40-R44 PolarHBondContact O-NH1 3.39Å
41D91.8Very high93.1Very high82 Ų8263.4 Ų63.444%0.43936%0.362SS..Hα-helixtrans-71.7-40.6176.5-67.2-47.4000111.6S38 L43 R44 A45S38-D41 WeakPolarHBondContact CB-OD2 3.45Å; S38-D41 PolarHBondContact O-N 3.27Å; S38-D41 PolarHBondContact OG-N 2.9Å; S38-D41 PolarHBondContact OG-OD2 3.49Å; D41-L43 VanDerWaalsContact C-N 3.33Å; D41-L43 PolarHBondContact O-N 2.89Å; D41-R44 PolarHBondContact O-N 3.07Å; D41-R44 IonicContact OD1-CZ 3.52Å; D41-R44 IonicContact OD1-NE 2.76Å; D41-R44 IonicContact OD1-NH2 2.66Å; D41-R44 PolarHBondContact OD1-NH2 2.86Å; D41-R44 IonicContact OD2-NH2 3.59Å; D41-A45 VanDerWaalsContact O-CB 3.29Å; D41-A45 WeakPolarHBondContact O-CB 3.49Å; D41-A45 PolarHBondContact O-N 3.07Å
42L93Very high92.9Very high40 Ų4062 Ų6221%0.20936%0.358CS..Hα-helixtrans-59.7-43.8174.7-67174.8000111.3S38 T39 A45 E46 M75 L76 A79S38-L42 WeakPolarHBondContact O-CG 3.41Å; S38-L42 PolarHBondContact O-N 2.84Å; T39-L42 PolarHBondContact O-N 3.29Å; L42-A45 PolarHBondContact O-N 3.27Å; L42-E46 WeakPolarHBondContact O-CB 3.41Å; L42-E46 PolarHBondContact O-N 2.86Å; L42-M75 HydrophobicContact CB-CE 3.6Å; L42-L76 HydrophobicContact CD1-CD1 3.96Å; L42-A79 HydrophobicContact CD1-CB 3.99Å; L42-A79 HydrophobicContact CD2-CB 3.76Å
43L91.7Very high92.5Very high22 Ų2260 Ų6012%0.11535%0.35CS..Hα-helixtrans-63.1-47.5176.7-74.1166.6000111.7T39 D41 A45 E46 V47 L57 M61 V67 M75T39-L43 WeakPolarHBondContact O-CB 3.49Å; T39-L43 VanDerWaalsContact O-CG 3.24Å; T39-L43 WeakPolarHBondContact O-CG 3.46Å; T39-L43 PolarHBondContact O-N 2.76Å; D41-L43 VanDerWaalsContact C-N 3.33Å; D41-L43 PolarHBondContact O-N 2.89Å; L43-A45 VanDerWaalsContact C-N 3.33Å; L43-A45 PolarHBondContact O-N 3.46Å; L43-E46 PolarHBondContact O-N 3.36Å; L43-V47 WeakPolarHBondContact O-CG2 3.29Å; L43-V47 PolarHBondContact O-N 3.11Å; L43-L57 HydrophobicContact CD2-CD1 3.94Å; L43-L57 HydrophobicContact CD2-CD2 3.86Å; L43-L57 HydrophobicContact CD2-CG 4.48Å; L43-M61 HydrophobicContact CB-SD 4.5Å; L43-V67 HydrophobicContact CD1-CG2 4.45Å; L43-V67 HydrophobicContact CD2-CB 4.47Å; L43-V67 HydrophobicContact CD2-CG1 4.07Å; L43-V67 HydrophobicContact CD2-CG2 4.14Å; L43-M75 HydrophobicContact CB-CE 4.34Å; L43-M75 HydrophobicContact CD2-CE 3.67Å; L43-M75 HydrophobicContact CD2-SD 3.87Å; L43-M75 HydrophobicContact CG-CE 3.82Å
44R90.6Very high92.4Very high132 Ų13258.3 Ų58.350%0.49833%0.332SS..Hα-helixtrans-61.6-41.7177.3-76.6-175.6-70.7-88.65.4112.1G40 D41 V47 S48G40-R44 WeakPolarHBondContact O-CG 3.42Å; G40-R44 VanDerWaalsContact O-CZ 3.25Å; G40-R44 PolarHBondContact O-N 2.58Å; G40-R44 VanDerWaalsContact O-N 3.08Å; G40-R44 PolarHBondContact O-NE 3.13Å; G40-R44 PolarHBondContact O-NH1 3.39Å; D41-R44 PolarHBondContact O-N 3.07Å; D41-R44 IonicContact OD1-CZ 3.52Å; D41-R44 IonicContact OD1-NE 2.76Å; D41-R44 IonicContact OD1-NH2 2.66Å; D41-R44 PolarHBondContact OD1-NH2 2.86Å; D41-R44 IonicContact OD2-NH2 3.59Å; R44-V47 PolarHBondContact O-N 2.86Å; R44-S48 WeakPolarHBondContact O-CB 3.33Å; R44-S48 PolarHBondContact O-N 3.39Å; R44-S48 PolarHBondContact O-OG 3.39Å
45A92Very high92.2Very high59 Ų5961.7 Ų61.749%0.48835%0.348SS..Hα-helixtrans-64-43.217700000111.7D41 L42 L43 S48 S49D41-A45 VanDerWaalsContact O-CB 3.29Å; D41-A45 WeakPolarHBondContact O-CB 3.49Å; D41-A45 PolarHBondContact O-N 3.07Å; L42-A45 PolarHBondContact O-N 3.27Å; L43-A45 VanDerWaalsContact C-N 3.33Å; L43-A45 PolarHBondContact O-N 3.46Å; A45-S48 PolarHBondContact O-N 3.32Å; A45-S49 PolarHBondContact O-N 2.97Å
46E91.8Very high92Very high33 Ų3366.4 Ų66.415%0.15437%0.365CS..Hα-helixtrans-63.7-44.5177.5-170.466.6-157.400111.6L42 L43 S48 S49 S51 R53 G54 L57 M75L42-E46 WeakPolarHBondContact O-CB 3.41Å; L42-E46 PolarHBondContact O-N 2.86Å; L43-E46 PolarHBondContact O-N 3.36Å; E46-S48 VanDerWaalsContact C-N 3.32Å; E46-S48 PolarHBondContact O-N 3.4Å; E46-S49 WeakPolarHBondContact O-CB 3.26Å; E46-S49 PolarHBondContact O-N 2.98Å; E46-S49 PolarHBondContact O-OG 3.28Å; E46-S51 PolarHBondContact OE1-OG 3.43Å; E46-R53 HydrophobicContact CG-CG 4.16Å; E46-R53 IonicContact OE1-CZ 2.68Å; E46-R53 IonicContact OE1-NE 3.57Å; E46-R53 PolarHBondContact OE1-NE 3.39Å; E46-R53 IonicContact OE1-NH2 3.53Å; E46-R53 PolarHBondContact OE1-NH2 3.41Å; E46-R53 IonicContact OE2-CZ 3.77Å; E46-R53 IonicContact OE2-NE 3.29Å; E46-R53 IonicContact OE2-NH2 3.51Å; E46-R53 PolarHBondContact OE2-NH2 2.96Å; E46-G54 WeakPolarHBondContact O-CA 3.44Å; E46-L57 HydrophobicContact CB-CD1 3.95Å; E46-L57 HydrophobicContact CG-CD1 3.6Å; E46-M75 HydrophobicContact CB-CE 4.41Å; E46-M75 HydrophobicContact CB-SD 4.43Å; E46-M75 HydrophobicContact CG-SD 4.39Å
47V92.1Very high91.8Very high40 Ų4062.9 Ų62.924%0.24235%0.348CS..Hα-helixtrans-59.5-45.2173.7171.10000110.8L43 R44 S49 G50 L57 M61L43-V47 WeakPolarHBondContact O-CG2 3.29Å; L43-V47 PolarHBondContact O-N 3.11Å; R44-V47 PolarHBondContact O-N 2.86Å; V47-S49 PolarHBondContact O-N 3.48Å; V47-G50 PolarHBondContact O-N 2.95Å; V47-L57 HydrophobicContact CG2-CB 3.75Å; V47-M61 HydrophobicContact CG2-SD 4.03Å
48S92.4Very high91.6Very high103 Ų10361.5 Ų61.572%0.7234%0.344SS*.Hα-helixtrans-67.2-23.5-179.4-56.30000113.2R44 A45 E46 G50R44-S48 WeakPolarHBondContact O-CB 3.33Å; R44-S48 PolarHBondContact O-N 3.39Å; R44-S48 PolarHBondContact O-OG 3.39Å; A45-S48 PolarHBondContact O-N 3.32Å; E46-S48 VanDerWaalsContact C-N 3.32Å; E46-S48 PolarHBondContact O-N 3.4Å; S48-G50 PolarHBondContact O-N 3.22Å
49S91.9Very high91.5Very high74 Ų7462 Ų6252%0.51735%0.35SS..THydrogen-bonded Turntrans-68.5-19.417879.30000113.6A45 E46 V47 S51A45-S49 PolarHBondContact O-N 2.97Å; E46-S49 WeakPolarHBondContact O-CB 3.26Å; E46-S49 PolarHBondContact O-N 2.98Å; E46-S49 PolarHBondContact O-OG 3.28Å; V47-S49 PolarHBondContact O-N 3.48Å; S49-S51 PolarHBondContact O-N 3.42Å; S49-S51 WeakPolarHBondContact OG-CB 3.38Å; S49-S51 PolarHBondContact OG-N 2.77Å; S49-S51 PolarHBondContact OG-OG 2.87Å
50G90.1Very high91.6Very high44 Ų4460.6 Ų60.645%0.45434%0.339SS..THydrogen-bonded Turntrans69.210.7-175.200000114.6V47 S48 K55V47-G50 PolarHBondContact O-N 2.95Å; S48-G50 PolarHBondContact O-N 3.22Å; G50-K55 WeakPolarHBondContact O-CE 3.43Å
51S91.9Very high91.6Very high36 Ų3663.3 Ų63.325%0.25235%0.348SS..  trans-59.6158.9176.279.10000111.3E46 S49 R53 G54 K55E46-S51 PolarHBondContact OE1-OG 3.43Å; S49-S51 PolarHBondContact O-N 3.42Å; S49-S51 WeakPolarHBondContact OG-CB 3.38Å; S49-S51 PolarHBondContact OG-N 2.77Å; S49-S51 PolarHBondContact OG-OG 2.87Å; S51-R53 PolarHBondContact O-N 3.27Å; S51-R53 PolarHBondContact OG-N 2.62Å; S51-G54 WeakPolarHBondContact O-CA 3.44Å; S51-G54 PolarHBondContact O-N 2.9Å; S51-G54 PolarHBondContact OG-N 2.65Å; S51-K55 PolarHBondContact O-N 2.99Å
52E91.9Very high91.5Very high125 Ų12566.5 Ų66.558%0.58436%0.36SS*.Hα-helixtrans-57.2-33.9173.9-76.6-60123.900112.2K55 K56E52-K55 IonicContact OE1-NZ 3.97Å; E52-K55 PolarHBondContact OE1-NZ 3.22Å; E52-K56 WeakPolarHBondContact O-CG 3.34Å; E52-K56 PolarHBondContact O-N 3.26Å
53R88.8Confident91.5Very high84 Ų8471.5 Ų71.532%0.31738%0.38SS..Hα-helixtrans-67.1-46.1171.9-178.8170.765.4178.65.7110.9E46 S51 K55 K56 L57 D78E46-R53 HydrophobicContact CG-CG 4.16Å; E46-R53 IonicContact OE1-CZ 2.68Å; E46-R53 IonicContact OE1-NE 3.57Å; E46-R53 PolarHBondContact OE1-NE 3.39Å; E46-R53 IonicContact OE1-NH2 3.53Å; E46-R53 PolarHBondContact OE1-NH2 3.41Å; E46-R53 IonicContact OE2-CZ 3.77Å; E46-R53 IonicContact OE2-NE 3.29Å; E46-R53 IonicContact OE2-NH2 3.51Å; E46-R53 PolarHBondContact OE2-NH2 2.96Å; S51-R53 PolarHBondContact O-N 3.27Å; S51-R53 PolarHBondContact OG-N 2.62Å; R53-K55 PolarHBondContact O-N 3.46Å; R53-K56 PolarHBondContact O-N 3.45Å; R53-L57 HydrophobicContact CG-CD1 4.15Å; R53-L57 HydrophobicContact CG-CG 4.5Å; R53-L57 WeakPolarHBondContact O-CG 3.42Å; R53-L57 PolarHBondContact O-N 3.21Å; R53-D78 IonicContact NH1-OD2 2.77Å
54G92.1Very high91.3Very high0 Ų073.8 Ų73.80%041%0.409CS..Hα-helixtrans-58.2-41.5177.500000113.6E46 S51 L57 S58E46-G54 WeakPolarHBondContact O-CA 3.44Å; S51-G54 WeakPolarHBondContact O-CA 3.44Å; S51-G54 PolarHBondContact O-N 2.9Å; S51-G54 PolarHBondContact OG-N 2.65Å; G54-L57 PolarHBondContact O-N 3.5Å; G54-S58 PolarHBondContact O-N 2.96Å
55K92.9Very high91.3Very high117 Ų11772.7 Ų72.751%0.50941%0.409SS..Hα-helixtrans-62.1-44.1175.5-67.1175.2-168.6166.90112.2G50 S51 E52 R53 L57 S58 A59G50-K55 WeakPolarHBondContact O-CE 3.43Å; S51-K55 PolarHBondContact O-N 2.99Å; E52-K55 IonicContact OE1-NZ 3.97Å; E52-K55 PolarHBondContact OE1-NZ 3.22Å; R53-K55 PolarHBondContact O-N 3.46Å; K55-L57 VanDerWaalsContact C-N 3.34Å; K55-S58 PolarHBondContact O-N 3.3Å; K55-A59 PolarHBondContact O-N 2.92Å; K55-A59 VanDerWaalsContact O-N 3.16Å
56K91.3Very high91Very high144 Ų14477.9 Ų77.963%0.62643%0.428SS*.Hα-helixtrans-62.9-41.9175.7-69.2175.7-176.5179.20111.4E52 R53 A59 I60E52-K56 WeakPolarHBondContact O-CG 3.34Å; E52-K56 PolarHBondContact O-N 3.26Å; R53-K56 PolarHBondContact O-N 3.45Å; K56-A59 PolarHBondContact O-N 3.42Å; K56-I60 WeakPolarHBondContact O-CG1 3.43Å; K56-I60 PolarHBondContact O-N 2.86Å
57L92.4Very high91Very high4 Ų477.5 Ų77.52%0.02143%0.428CS..Hα-helixtrans-62.7-44.2176.3-70.9173.4000111.9L43 E46 V47 R53 G54 K55 A59 I60 M61 V67 T71 M75L43-L57 HydrophobicContact CD2-CD1 3.94Å; L43-L57 HydrophobicContact CD2-CD2 3.86Å; L43-L57 HydrophobicContact CD2-CG 4.48Å; E46-L57 HydrophobicContact CB-CD1 3.95Å; E46-L57 HydrophobicContact CG-CD1 3.6Å; V47-L57 HydrophobicContact CG2-CB 3.75Å; R53-L57 HydrophobicContact CG-CD1 4.15Å; R53-L57 HydrophobicContact CG-CG 4.5Å; R53-L57 WeakPolarHBondContact O-CG 3.42Å; R53-L57 PolarHBondContact O-N 3.21Å; G54-L57 PolarHBondContact O-N 3.5Å; K55-L57 VanDerWaalsContact C-N 3.34Å; L57-A59 VanDerWaalsContact C-N 3.32Å; L57-A59 PolarHBondContact O-N 2.94Å; L57-I60 PolarHBondContact O-N 3.45Å; L57-M61 WeakPolarHBondContact O-CB 3.38Å; L57-M61 VanDerWaalsContact O-CG 3.26Å; L57-M61 WeakPolarHBondContact O-CG 3.36Å; L57-M61 PolarHBondContact O-N 2.97Å; L57-V67 HydrophobicContact CD2-CB 4.31Å; L57-V67 HydrophobicContact CD2-CG1 3.35Å; L57-V67 HydrophobicContact CD2-CG2 3.93Å; L57-T71 HydrophobicContact CD2-CG2 3.97Å; L57-M75 HydrophobicContact CD1-SD 3.91Å
58S92.2Very high91Very high31 Ų3178.7 Ų78.722%0.21744%0.437CS..Hα-helixtrans-56-48.4176.4-1550000110.9G54 K55 I60 M61 E62G54-S58 PolarHBondContact O-N 2.96Å; K55-S58 PolarHBondContact O-N 3.3Å; S58-I60 VanDerWaalsContact C-N 3.3Å; S58-I60 PolarHBondContact O-N 3.08Å; S58-M61 PolarHBondContact O-N 3.43Å; S58-E62 WeakPolarHBondContact O-CB 3.29Å; S58-E62 VanDerWaalsContact O-CG 3.24Å; S58-E62 WeakPolarHBondContact O-CG 3.35Å; S58-E62 PolarHBondContact O-N 3.2Å; S58-E62 PolarHBondContact OG-OE1 3.41Å
59A92.8Very high90.9Very high43 Ų4379.6 Ų79.636%0.35543%0.432SS..Hα-helixtrans-62.5-33.4-179.600000113.7K55 K56 L57 K63K55-A59 PolarHBondContact O-N 2.92Å; K55-A59 VanDerWaalsContact O-N 3.16Å; K56-A59 PolarHBondContact O-N 3.42Å; L57-A59 VanDerWaalsContact C-N 3.32Å; L57-A59 PolarHBondContact O-N 2.94Å; A59-K63 WeakPolarHBondContact O-CD 3.34Å; A59-K63 VanDerWaalsContact O-CG 3.29Å; A59-K63 WeakPolarHBondContact O-CG 3.24Å
60I91.4Very high90.9Very high38 Ų3881.6 Ų81.620%0.19544%0.437CS..Hα-helixtrans-74.1-46.5175.9-65.6166.8000110K56 L57 S58 E62 K63 G64 E65 V67K56-I60 WeakPolarHBondContact O-CG1 3.43Å; K56-I60 PolarHBondContact O-N 2.86Å; L57-I60 PolarHBondContact O-N 3.45Å; S58-I60 VanDerWaalsContact C-N 3.3Å; S58-I60 PolarHBondContact O-N 3.08Å; I60-E62 PolarHBondContact O-N 3.33Å; I60-K63 WeakPolarHBondContact O-CB 3.41Å; I60-K63 PolarHBondContact O-N 3.42Å; I60-G64 PolarHBondContact O-N 3.45Å; I60-E65 HydrophobicContact CG2-CB 3.75Å; I60-E65 PolarHBondContact O-N 3.07Å; I60-V67 HydrophobicContact CG2-CG2 4.33Å
61M88.1Confident90.9Very high79 Ų7981.4 Ų81.439%0.38943%0.427SS..Hα-helixtrans-65.9-38.3-177.7-69.5175.665.300112.5L43 V47 L57 S58 K63 G64 V67L43-M61 HydrophobicContact CB-SD 4.5Å; V47-M61 HydrophobicContact CG2-SD 4.03Å; L57-M61 WeakPolarHBondContact O-CB 3.38Å; L57-M61 VanDerWaalsContact O-CG 3.26Å; L57-M61 WeakPolarHBondContact O-CG 3.36Å; L57-M61 PolarHBondContact O-N 2.97Å; S58-M61 PolarHBondContact O-N 3.43Å; M61-K63 PolarHBondContact O-N 3.27Å; M61-G64 PolarHBondContact O-N 2.73Å; M61-V67 HydrophobicContact CG-CG2 4.11Å
62E90.3Very high90.9Very high148 Ų14881 Ų8169%0.69242%0.423SS*.Hα-helixtrans-63.1-28.2175.4-75.7165.4-151.500112.7S58 I60 G64S58-E62 WeakPolarHBondContact O-CB 3.29Å; S58-E62 VanDerWaalsContact O-CG 3.24Å; S58-E62 WeakPolarHBondContact O-CG 3.35Å; S58-E62 PolarHBondContact O-N 3.2Å; S58-E62 PolarHBondContact OG-OE1 3.41Å; I60-E62 PolarHBondContact O-N 3.33Å; E62-G64 VanDerWaalsContact C-N 3.27Å; E62-G64 PolarHBondContact O-N 3.3Å
63K93.2Very high91Very high145 Ų14579.2 Ų79.263%0.6342%0.417SS*.THydrogen-bonded Turntrans-80.3-5.6174-67.4173.6-176-177.70113.5A59 I60 M61 E65A59-K63 WeakPolarHBondContact O-CD 3.34Å; A59-K63 VanDerWaalsContact O-CG 3.29Å; A59-K63 WeakPolarHBondContact O-CG 3.24Å; I60-K63 WeakPolarHBondContact O-CB 3.41Å; I60-K63 PolarHBondContact O-N 3.42Å; M61-K63 PolarHBondContact O-N 3.27Å; K63-E65 HydrophobicContact CB-CB 4.48Å; K63-E65 HydrophobicContact CB-CG 3.95Å; K63-E65 PolarHBondContact O-N 3.43Å
64G87.2Confident91.1Very high70 Ų7079.4 Ų79.472%0.72243%0.425SS*.THydrogen-bonded Turntrans69.817-172.400000113.4I60 M61 E62I60-G64 PolarHBondContact O-N 3.45Å; M61-G64 PolarHBondContact O-N 2.73Å; E62-G64 VanDerWaalsContact C-N 3.27Å; E62-G64 PolarHBondContact O-N 3.3Å
65E90.1Very high91.1Very high110 Ų11079.8 Ų79.851%0.51443%0.426SS..PPolyproline II helixtrans-82.6154.6178.4-71.1173.6-168.700111.1I60 K63I60-E65 HydrophobicContact CG2-CB 3.75Å; I60-E65 PolarHBondContact O-N 3.07Å; K63-E65 HydrophobicContact CB-CB 4.48Å; K63-E65 HydrophobicContact CB-CG 3.95Å; K63-E65 PolarHBondContact O-N 3.43Å
66L86.7Confident91.1Very high168 Ų16875.9 Ų75.988%0.8841%0.411SS*.PPolyproline II helixtrans-77.3131.2174.3-69.7173000110.1
67V90.6Very high91.2Very high25 Ų2574.3 Ų74.315%0.15240%0.401CS..PPolyproline II helixtrans-63.3134.7172.1179.30000109.3L43 L57 I60 M61 L69 T71 V72L43-V67 HydrophobicContact CD1-CG2 4.45Å; L43-V67 HydrophobicContact CD2-CB 4.47Å; L43-V67 HydrophobicContact CD2-CG1 4.07Å; L43-V67 HydrophobicContact CD2-CG2 4.14Å; L57-V67 HydrophobicContact CD2-CB 4.31Å; L57-V67 HydrophobicContact CD2-CG1 3.35Å; L57-V67 HydrophobicContact CD2-CG2 3.93Å; I60-V67 HydrophobicContact CG2-CG2 4.33Å; M61-V67 HydrophobicContact CG-CG2 4.11Å; V67-L69 PolarHBondContact O-N 3.48Å; V67-T71 HydrophobicContact CG1-CG2 4.31Å; V67-V72 HydrophobicContact CB-CG2 4.22Å; V67-V72 HydrophobicContact CG1-CG2 3.88Å
68P92.1Very high91.2Very high65 Ų6577.9 Ų77.942%0.42242%0.421SS..PPolyproline II helixtrans-55.1137178.1-26.634.5000112.6D70 T71 V72P68-D70 VanDerWaalsContact C-N 3.29Å; P68-D70 PolarHBondContact O-N 3.39Å; P68-T71 WeakPolarHBondContact O-CB 3.43Å; P68-T71 PolarHBondContact O-N 3.16Å; P68-T71 VanDerWaalsContact O-N 3.07Å; P68-V72 PolarHBondContact O-N 2.89Å
69L90.6Very high91.2Very high121 Ų12177.2 Ų77.263%0.63442%0.417SS*.Hα-helixtrans-55.2-43.8-176.2178.561.9000112.3V67 T71 V72 L73V67-L69 PolarHBondContact O-N 3.48Å; L69-T71 PolarHBondContact O-N 3.21Å; L69-V72 WeakPolarHBondContact O-CB 3.04Å; L69-V72 PolarHBondContact O-N 3.41Å; L69-L73 HydrophobicContact CD1-CD1 4.27Å; L69-L73 HydrophobicContact CD1-CG 4.1Å; L69-L73 HydrophobicContact CD2-CD1 4.42Å; L69-L73 HydrophobicContact CG-CD1 3.92Å; L69-L73 HydrophobicContact CG-CG 4.2Å; L69-L73 WeakPolarHBondContact O-CG 3.32Å; L69-L73 PolarHBondContact O-N 3.32Å
70D92.1Very high91.3Very high116 Ų11677.2 Ų77.262%0.6241%0.41SS*.Hα-helixtrans-59-38-179.1-60.5-24.1000111.8P68 V72 L73 D74P68-D70 VanDerWaalsContact C-N 3.29Å; P68-D70 PolarHBondContact O-N 3.39Å; D70-V72 VanDerWaalsContact C-N 3.35Å; D70-V72 PolarHBondContact O-N 2.83Å; D70-L73 PolarHBondContact O-N 3.09Å; D70-D74 PolarHBondContact O-N 3.06Å
71T90.8Very high91.4Very high40 Ų4077 Ų7725%0.24541%0.409CS..Hα-helixtrans-66.6-39.9177.8-53.90000111.2L57 V67 P68 L69 M75L57-T71 HydrophobicContact CD2-CG2 3.97Å; V67-T71 HydrophobicContact CG1-CG2 4.31Å; P68-T71 WeakPolarHBondContact O-CB 3.43Å; P68-T71 PolarHBondContact O-N 3.16Å; P68-T71 VanDerWaalsContact O-N 3.07Å; L69-T71 PolarHBondContact O-N 3.21Å; T71-M75 HydrophobicContact CG2-SD 4.32Å; T71-M75 WeakPolarHBondContact O-CG 3.46Å; T71-M75 PolarHBondContact O-N 3.4Å; T71-M75 VanDerWaalsContact O-N 3.14Å
72V92.1Very high91.6Very high27 Ų2777 Ų7716%0.16442%0.422CS..Hα-helixtrans-66.9-41.2177.2-179.90000110.7T39 V67 P68 L69 D70 L76T39-V72 HydrophobicContact CG2-CG1 3.68Å; V67-V72 HydrophobicContact CB-CG2 4.22Å; V67-V72 HydrophobicContact CG1-CG2 3.88Å; P68-V72 PolarHBondContact O-N 2.89Å; L69-V72 WeakPolarHBondContact O-CB 3.04Å; L69-V72 PolarHBondContact O-N 3.41Å; D70-V72 VanDerWaalsContact C-N 3.35Å; D70-V72 PolarHBondContact O-N 2.83Å; V72-L76 WeakPolarHBondContact O-CB 3.31Å; V72-L76 PolarHBondContact O-N 2.77Å
73L92.6Very high91.7Very high88 Ų8874.9 Ų74.946%0.46141%0.41SS..Hα-helixtrans-65.8-42.1178.3-70.7176.8000112.1L69 D70 L76 R77L69-L73 HydrophobicContact CD1-CD1 4.27Å; L69-L73 HydrophobicContact CD1-CG 4.1Å; L69-L73 HydrophobicContact CD2-CD1 4.42Å; L69-L73 HydrophobicContact CG-CD1 3.92Å; L69-L73 HydrophobicContact CG-CG 4.2Å; L69-L73 WeakPolarHBondContact O-CG 3.32Å; L69-L73 PolarHBondContact O-N 3.32Å; D70-L73 PolarHBondContact O-N 3.09Å; L73-L76 PolarHBondContact O-N 2.73Å; L73-R77 VanDerWaalsContact O-CB 3.32Å; L73-R77 WeakPolarHBondContact O-CB 3.43Å; L73-R77 PolarHBondContact O-N 3.26Å
74D91.8Very high91.6Very high88 Ų8869.3 Ų69.347%0.47139%0.388SS..Hα-helixtrans-62.1-46.7176.6-78-17.4000111.6D70 L76 R77 D78D70-D74 PolarHBondContact O-N 3.06Å; D74-L76 VanDerWaalsContact C-N 3.34Å; D74-L76 PolarHBondContact O-N 3.38Å; D74-R77 WeakPolarHBondContact O-CB 3.33Å; D74-R77 PolarHBondContact O-N 3.34Å; D74-D78 VanDerWaalsContact O-CG 3.32Å; D74-D78 PolarHBondContact O-N 3.24Å
75M91.9Very high91.7Very high8 Ų871.3 Ų71.34%0.03938%0.382CS..Hα-helixtrans-62.2-40.7176.4-73.3170.636.300112.9L42 L43 E46 L57 T71 R77 D78 A79L42-M75 HydrophobicContact CB-CE 3.6Å; L43-M75 HydrophobicContact CB-CE 4.34Å; L43-M75 HydrophobicContact CD2-CE 3.67Å; L43-M75 HydrophobicContact CD2-SD 3.87Å; L43-M75 HydrophobicContact CG-CE 3.82Å; E46-M75 HydrophobicContact CB-CE 4.41Å; E46-M75 HydrophobicContact CB-SD 4.43Å; E46-M75 HydrophobicContact CG-SD 4.39Å; L57-M75 HydrophobicContact CD1-SD 3.91Å; T71-M75 HydrophobicContact CG2-SD 4.32Å; T71-M75 WeakPolarHBondContact O-CG 3.46Å; T71-M75 PolarHBondContact O-N 3.4Å; T71-M75 VanDerWaalsContact O-N 3.14Å; M75-R77 VanDerWaalsContact C-N 3.34Å; M75-D78 PolarHBondContact O-N 2.71Å; M75-A79 WeakPolarHBondContact O-CB 3.46Å; M75-A79 PolarHBondContact O-N 2.88Å; M75-A79 VanDerWaalsContact O-N 3.07Å
76L93.8Very high91.6Very high35 Ų3570.6 Ų70.618%0.18339%0.389CS..Hα-helixtrans-65.8-41.4177.5-173.764.6000110.6L37 L42 V72 L73 D74 A79 M80L37-L76 HydrophobicContact CB-CD1 3.98Å; L37-L76 HydrophobicContact CD1-CD1 4.06Å; L42-L76 HydrophobicContact CD1-CD1 3.96Å; V72-L76 WeakPolarHBondContact O-CB 3.31Å; V72-L76 PolarHBondContact O-N 2.77Å; L73-L76 PolarHBondContact O-N 2.73Å; D74-L76 VanDerWaalsContact C-N 3.34Å; D74-L76 PolarHBondContact O-N 3.38Å; L76-A79 PolarHBondContact O-N 3.29Å; L76-M80 HydrophobicContact CG-CG 4.49Å; L76-M80 HydrophobicContact CG-SD 4.11Å; L76-M80 WeakPolarHBondContact O-CB 3.29Å; L76-M80 WeakPolarHBondContact O-CG 3.24Å; L76-M80 PolarHBondContact O-N 2.94Å
77R92.6Very high91.6Very high111 Ų11163.8 Ų63.842%0.41936%0.356SS..Hα-helixtrans-58.4-48.5175.4-179.4-174.3-178.7165.47.2111.4E2 L73 D74 M75 A79 M80 L81E2-R77 IonicContact OE1-CZ 3.58Å; E2-R77 IonicContact OE1-NH2 3.95Å; E2-R77 PolarHBondContact OE1-NH2 3.29Å; L73-R77 VanDerWaalsContact O-CB 3.32Å; L73-R77 WeakPolarHBondContact O-CB 3.43Å; L73-R77 PolarHBondContact O-N 3.26Å; D74-R77 WeakPolarHBondContact O-CB 3.33Å; D74-R77 PolarHBondContact O-N 3.34Å; M75-R77 VanDerWaalsContact C-N 3.34Å; R77-A79 VanDerWaalsContact C-N 3.34Å; R77-A79 PolarHBondContact O-N 2.72Å; R77-M80 PolarHBondContact O-N 2.95Å; R77-L81 HydrophobicContact CG-CD1 4.12Å; R77-L81 WeakPolarHBondContact O-CB 3.35Å; R77-L81 WeakPolarHBondContact O-CG 3.43Å; R77-L81 PolarHBondContact O-N 3.23Å
78D91.9Very high91.5Very high80 Ų8068.3 Ų68.343%0.42838%0.379SS..Hα-helixtrans-58.8-46.4178-68.7-21.1000111.1R53 D74 M75 M80 L81 A82R53-D78 IonicContact NH1-OD2 2.77Å; D74-D78 VanDerWaalsContact O-CG 3.32Å; D74-D78 PolarHBondContact O-N 3.24Å; M75-D78 PolarHBondContact O-N 2.71Å; D78-M80 PolarHBondContact O-N 3.16Å; D78-L81 PolarHBondContact O-N 3.38Å; D78-A82 PolarHBondContact O-N 3.3Å
79A93.6Very high91.1Very high17 Ų1766.7 Ų66.714%0.1437%0.374CS..Hα-helixtrans-63.7-40.5178.900000112.7L37 L42 M75 L76 R77 A82 K83L37-A79 HydrophobicContact CD1-CB 4.17Å; L37-A79 HydrophobicContact CD2-CB 4.15Å; L42-A79 HydrophobicContact CD1-CB 3.99Å; L42-A79 HydrophobicContact CD2-CB 3.76Å; M75-A79 WeakPolarHBondContact O-CB 3.46Å; M75-A79 PolarHBondContact O-N 2.88Å; M75-A79 VanDerWaalsContact O-N 3.07Å; L76-A79 PolarHBondContact O-N 3.29Å; R77-A79 VanDerWaalsContact C-N 3.34Å; R77-A79 PolarHBondContact O-N 2.72Å; A79-A82 PolarHBondContact O-N 3.2Å; A79-K83 WeakPolarHBondContact O-CG 3.49Å; A79-K83 PolarHBondContact O-N 2.86Å
80M94.3Very high91.1Very high43 Ų4364 Ų6421%0.21236%0.361CS..Hα-helixtrans-65.3-45175.9-70.2172.480.500111.3L5 I10 L37 L76 R77 D78 A82 K83 V84L5-M80 HydrophobicContact CD2-CB 3.82Å; L5-M80 HydrophobicContact CD2-CE 4.1Å; I10-M80 HydrophobicContact CD1-CE 3.57Å; I10-M80 HydrophobicContact CG1-CE 3.98Å; L37-M80 HydrophobicContact CD1-CB 4.39Å; L37-M80 HydrophobicContact CD1-CG 3.5Å; L37-M80 VanDerWaalsContact CD1-CG 3.5Å; L76-M80 HydrophobicContact CG-CG 4.49Å; L76-M80 HydrophobicContact CG-SD 4.11Å; L76-M80 WeakPolarHBondContact O-CB 3.29Å; L76-M80 WeakPolarHBondContact O-CG 3.24Å; L76-M80 PolarHBondContact O-N 2.94Å; R77-M80 PolarHBondContact O-N 2.95Å; D78-M80 PolarHBondContact O-N 3.16Å; M80-A82 VanDerWaalsContact C-N 3.28Å; M80-A82 PolarHBondContact O-N 3.4Å; M80-K83 PolarHBondContact O-N 2.66Å; M80-K83 VanDerWaalsContact O-N 3.08Å; M80-V84 WeakPolarHBondContact O-CB 3.42Å; M80-V84 PolarHBondContact O-N 3.49Å
81L93Very high91.1Very high33 Ų3361.2 Ų61.217%0.17335%0.347CS..Hα-helixtrans-61.1-36.7178.2-74.9174.6000112.2M1 L5 R77 D78 K83M1-L81 HydrophobicContact CB-CD2 3.84Å; M1-L81 HydrophobicContact CE-CB 3.71Å; M1-L81 HydrophobicContact CE-CD2 3.81Å; M1-L81 HydrophobicContact CE-CG 4.29Å; M1-L81 WeakPolarHBondContact CE-O 3.26Å; M1-L81 HydrophobicContact CG-CD2 3.81Å; M1-L81 HydrophobicContact SD-CD2 3.94Å; L5-L81 HydrophobicContact CD1-CD2 3.59Å; L5-L81 HydrophobicContact CD1-CG 4.07Å; L5-L81 HydrophobicContact CG-CD2 4.11Å; R77-L81 HydrophobicContact CG-CD1 4.12Å; R77-L81 WeakPolarHBondContact O-CB 3.35Å; R77-L81 WeakPolarHBondContact O-CG 3.43Å; R77-L81 PolarHBondContact O-N 3.23Å; D78-L81 PolarHBondContact O-N 3.38Å; L81-K83 PolarHBondContact O-N 2.91Å
82A92.3Very high91.1Very high79 Ų7962.4 Ų62.465%0.65335%0.353SS*.Hα-helixtrans-68.7-17.5176.800000114.1D78 A79 M80D78-A82 PolarHBondContact O-N 3.3Å; A79-A82 PolarHBondContact O-N 3.2Å; M80-A82 VanDerWaalsContact C-N 3.28Å; M80-A82 PolarHBondContact O-N 3.4Å
83K92.3Very high91.1Very high103 Ų10364.5 Ų64.545%0.44836%0.364SS..Hα-helixtrans-119.4-13.3-172.9-64.1-65.6-176.2-177.40114.6T35 A79 M80 L81 D85 S86 S87T35-K83 HydrophobicContact CG2-CB 4.2Å; T35-K83 HydrophobicContact CG2-CG 4.12Å; A79-K83 WeakPolarHBondContact O-CG 3.49Å; A79-K83 PolarHBondContact O-N 2.86Å; M80-K83 PolarHBondContact O-N 2.66Å; M80-K83 VanDerWaalsContact O-N 3.08Å; L81-K83 PolarHBondContact O-N 2.91Å; K83-D85 PolarHBondContact O-N 3.19Å; K83-S86 PolarHBondContact O-N 3.23Å; K83-S86 PolarHBondContact O-OG 3.2Å; K83-S87 WeakPolarHBondContact O-CB 3.49Å; K83-S87 PolarHBondContact O-N 3.4Å; K83-S87 VanDerWaalsContact O-N 3.07Å
84V90.6Very high91Very high29 Ų2963 Ų6318%0.17636%0.358CS..THydrogen-bonded Turntrans-56.9-28.2-174.371.20000113.5K4 L5 M80K4-V84 HydrophobicContact CB-CG2 3.9Å; L5-V84 HydrophobicContact CD2-CB 4.15Å; L5-V84 HydrophobicContact CD2-CG2 3.92Å; M80-V84 WeakPolarHBondContact O-CB 3.42Å; M80-V84 PolarHBondContact O-N 3.49Å
85D89Confident90.9Very high111 Ų11161.3 Ų61.359%0.59435%0.351SS*.THydrogen-bonded Turntrans-83-18.1-178.5-68.6-36.9000113.7K4 K83K4-D85 IonicContact NZ-OD1 2.89Å; K4-D85 PolarHBondContact NZ-OD1 3.28Å; K4-D85 IonicContact NZ-OD2 2.62Å; K83-D85 PolarHBondContact O-N 3.19Å
86S88.2Confident90.8Very high95 Ų9565.1 Ų65.166%0.66437%0.373SS*.THydrogen-bonded Turntrans-117.91.4-176.464.40000113.8K83K83-S86 PolarHBondContact O-N 3.23Å; K83-S86 PolarHBondContact O-OG 3.2Å
87S88.2Confident90.6Very high25 Ų2567.5 Ų67.518%0.17539%0.387CS..  trans-104.3145.6-176.1-157.80000112.6T35 K83 G89T35-S87 VanDerWaalsContact CB-OG 3.23Å; T35-S87 WeakPolarHBondContact CB-OG 3.44Å; T35-S87 PolarHBondContact N-OG 3.06Å; T35-S87 VanDerWaalsContact N-OG 3.13Å; T35-S87 VanDerWaalsContact OG1-CB 3.27Å; T35-S87 WeakPolarHBondContact OG1-CB 3.31Å; T35-S87 PolarHBondContact OG1-OG 3.03Å; K83-S87 WeakPolarHBondContact O-CB 3.49Å; K83-S87 PolarHBondContact O-N 3.4Å; K83-S87 VanDerWaalsContact O-N 3.07Å; S87-G89 PolarHBondContact O-N 3.27Å; S87-G89 PolarHBondContact OG-N 3.48Å; S87-G89 PolarHBondContact OG-O 3.49Å
88N88.5Confident90.4Very high121 Ų12163.8 Ų63.865%0.64739%0.385SS*.  trans-84.43.5169-66.5-25.4000113.5G33G33-N88 WeakPolarHBondContact O-CB 3.43Å; G33-N88 PolarHBondContact O-N 3.01Å
89G83.4Confident90.3Very high30 Ų3062.4 Ų62.431%0.30938%0.381SS..  trans159.20-17200000110.6K9 T35 S87K9-G89 WeakPolarHBondContact O-CA 3.33Å; T35-G89 PolarHBondContact N-O 3.34Å; S87-G89 PolarHBondContact O-N 3.27Å; S87-G89 PolarHBondContact OG-N 3.48Å; S87-G89 PolarHBondContact OG-O 3.49Å

Retrieved 89 of 89 residues in 209.7 ms (Link to these results)

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