A0A2K5MBP5_CERAT Loading...

Monoglyceride lipase

Converts monoacylglycerides to free fatty acids and glycerol. Hydrolyzes the endocannabinoid 2-arachidonoylglycerol, and thereby contributes to the regulation of endocannabinoid signaling, nociperception and perception of pain. Regulates the levels of fatty acids that serve as signaling molecules and promote cancer cell migration, invasion and tumor growth.

AlphaFold DB , UniProt , Accession A0A2K5MBP5, Species CERAT (Cercocebus atys, Sooty mangabey), Gene MGLL, Length 313 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
1M45.3Very low45.8Very low242 Ų242151.7 Ų151.7100%1.19283%0.826SS**  01060-77.7177.6-172.700106.4
2E39.3Very low45.9Very low199 Ų199149 Ų14993%0.9382%0.822SS**  trans-162.391.1155.5-111.9171.7-167.300105G4E2-G4 PolarHBondContact O-N 3.44Å
3T41.5Very low46.5Very low137 Ų137151.2 Ų151.284%0.8482%0.823SS**  trans-78.6107.8174.444.30000107.2S5T3-S5 PolarHBondContact O-N 3.23Å
4G42.8Very low47.1Very low75 Ų75154.1 Ų154.177%0.77383%0.828SS**  trans-61.1114.6168.600000109.4E2 E6E2-G4 PolarHBondContact O-N 3.44Å; G4-E6 PolarHBondContact O-N 3.08Å
5S43.6Very low48.7Very low114 Ų114151.1 Ų151.180%0.79782%0.824SS**  trans-69.5109.4170.851.60000109T3 D7T3-S5 PolarHBondContact O-N 3.23Å; S5-D7 PolarHBondContact O-N 3.49Å
6E50.8Low50.8Low188 Ų188147.9 Ų147.988%0.87982%0.816SS**  trans-64.5121.3162.4-72.6-17715500108.3G4 P8G4-E6 PolarHBondContact O-N 3.08Å; E6-P8 VanDerWaalsContact O-CD 3.31Å; E6-P8 WeakPolarHBondContact O-CD 3.34Å
7D50.1Low53.3Low115 Ų115142.5 Ų142.562%0.61579%0.789SS**  trans-67.7114.7177.1-176.6-6.6000109.7S5 S9S5-D7 PolarHBondContact O-N 3.49Å; D7-S9 VanDerWaalsContact CG-OG 3.23Å; D7-S9 PolarHBondContact O-N 3.37Å; D7-S9 VanDerWaalsContact OD1-CB 3.29Å; D7-S9 WeakPolarHBondContact OD1-CB 3.44Å; D7-S9 PolarHBondContact OD1-N 3.27Å; D7-S9 PolarHBondContact OD1-OG 3.32Å; D7-S9 PolarHBondContact OD2-OG 3.43Å
8P47.1Very low55.7Low133 Ų133140.6 Ų140.686%0.86477%0.768SS**THydrogen-bonded Turntrans-79.19-177.432.7-32.8000113.1E6E6-P8 VanDerWaalsContact O-CD 3.31Å; E6-P8 WeakPolarHBondContact O-CD 3.34Å
9S46.7Very low58Low79 Ų79139.4 Ų139.455%0.55275%0.751SS**THydrogen-bonded Turntrans-100.710.9-173.272.70000115.8D7 M11D7-S9 VanDerWaalsContact CG-OG 3.23Å; D7-S9 PolarHBondContact O-N 3.37Å; D7-S9 VanDerWaalsContact OD1-CB 3.29Å; D7-S9 WeakPolarHBondContact OD1-CB 3.44Å; D7-S9 PolarHBondContact OD1-N 3.27Å; D7-S9 PolarHBondContact OD1-OG 3.32Å; D7-S9 PolarHBondContact OD2-OG 3.43Å; S9-M11 PolarHBondContact O-N 3.32Å
10R47Very low60Low224 Ų224132.8 Ų132.885%0.84572%0.715SS**  trans-74.980.9171.8-152.1173.8-171.2176.81.7109.9
11M49.1Very low61.8Low163 Ų163129.6 Ų129.680%0.80370%0.702SS**  trans-47.4133.9163.9-66.1-119.6-9700108S9 E13S9-M11 PolarHBondContact O-N 3.32Å; M11-E13 PolarHBondContact O-N 3.42Å; M11-E13 VanDerWaalsContact O-N 3.11Å
12P47.7Very low64.3Low119 Ų119121.4 Ų121.477%0.77366%0.661SS**  trans-54.9125.1173.323.4-31.4000107.3E14P12-E14 PolarHBondContact O-N 2.73Å
13E53.3Low67.1Low178 Ų178115.8 Ų115.883%0.83264%0.644SS**  trans-49.1111.9171.9-79.9177164.300107.1M11 S15M11-E13 PolarHBondContact O-N 3.42Å; M11-E13 VanDerWaalsContact O-N 3.11Å; E13-S15 PolarHBondContact O-N 2.65Å
14E55Low69.8Low191 Ų191112.5 Ų112.589%0.89362%0.62SS**  trans-54.8108.6168-86.7-177.3155.600105.8P12 S16P12-E14 PolarHBondContact O-N 2.73Å; E14-S16 PolarHBondContact O-N 3.46Å
15S71.6Confident72.5Confident110 Ų110109.7 Ų109.777%0.76959%0.588SS**PPolyproline II helixtrans-53.6119.9-178.759.40000107.6E13E13-S15 PolarHBondContact O-N 2.65Å
16S81.9Confident75.1Confident100 Ų100104.3 Ų104.370%0.69955%0.55SS**PPolyproline II helixtrans-46.9137.1-179.857.60000110.4E14 R18E14-S16 PolarHBondContact O-N 3.46Å; S16-R18 PolarHBondContact O-N 2.75Å
17P92.6Very high77.3Confident56 Ų56102.2 Ų102.236%0.36454%0.54SS..PPolyproline II helixtrans-57.6138-173.523.3-33.8000110.6R19P17-R19 WeakPolarHBondContact O-CG 3.31Å
18R97.3Very high79.6Confident107 Ų107101.6 Ų101.640%0.40454%0.537SS..PPolyproline II helixtrans-61.1136176.2-65.2-76.7-75.9-86.72.2109.2S16 Y26 G37 Y39 E94S16-R18 PolarHBondContact O-N 2.75Å; R18-Y26 HydrophobicContact CB-CD2 4.16Å; R18-Y26 PolarHBondContact O-N 3.31Å; R18-G37 PolarHBondContact NH2-O 3.08Å; R18-Y39 HydrophobicContact CB-CD2 4.15Å; R18-Y39 HydrophobicContact CB-CE1 4.45Å; R18-Y39 HydrophobicContact CB-CE2 3.92Å; R18-Y39 HydrophobicContact CG-CD2 4.22Å; R18-Y39 HydrophobicContact CG-CE2 3.67Å; R18-E94 IonicContact CZ-OE1 3.72Å; R18-E94 VanDerWaalsContact CZ-OE1 3.32Å; R18-E94 IonicContact CZ-OE2 3.06Å; R18-E94 IonicContact NE-OE1 3.3Å; R18-E94 PolarHBondContact NE-OE1 3.3Å; R18-E94 IonicContact NE-OE2 3.67Å; R18-E94 VanDerWaalsContact NH2-CD 3.25Å; R18-E94 IonicContact NH2-OE1 2.85Å; R18-E94 PolarHBondContact NH2-OE1 3.49Å; R18-E94 VanDerWaalsContact NH2-OE1 3.11Å; R18-E94 IonicContact NH2-OE2 3.74Å; R18-E94 PolarHBondContact NH2-OE2 3.39Å
19R98.4Very high82.1Confident119 Ų11996.9 Ų96.945%0.44951%0.505SS..BIsolated β-bridgetrans-127.5151.7-173.3-72.9169.4-175-89-2.6111.1P17 S23 I24 P25 Y26P17-R19 WeakPolarHBondContact O-CG 3.31Å; R19-S23 PolarHBondContact NH1-O 3.04Å; R19-I24 CarbonylContact C-O 3.54Å; R19-I24 WeakPolarHBondContact CA-O 3.43Å; R19-P25 HydrophobicContact CG-CG 4.46Å; R19-Y26 WeakPolarHBondContact O-CE2 3.5Å
20T98.6Very high84.5Confident6 Ų696.3 Ų96.34%0.03750%0.499CS..  trans-60.6163.3167.470.70000110.4Q22 S23 I24 Y26 L29 Q92T20-Q22 PolarHBondContact O-N 2.94Å; T20-Q22 PolarHBondContact OG1-N 3.13Å; T20-Q22 PolarHBondContact OG1-OE1 3.41Å; T20-S23 WeakPolarHBondContact O-CA 3.27Å; T20-S23 PolarHBondContact O-N 3.3Å; T20-S23 PolarHBondContact OG1-N 3.46Å; T20-I24 HydrophobicContact CG2-CB 4.26Å; T20-I24 WeakPolarHBondContact CG2-O 3.46Å; T20-I24 PolarHBondContact N-O 3.09Å; T20-I24 PolarHBondContact OG1-N 3.24Å; T20-I24 VanDerWaalsContact OG1-N 3.15Å; T20-Y26 HydrophobicContact CG2-CD1 4.24Å; T20-Y26 HydrophobicContact CG2-CE1 3.85Å; T20-Y26 HydrophobicContact CG2-CE2 4.37Å; T20-L29 HydrophobicContact CG2-CD1 3.48Å; T20-L29 VanDerWaalsContact CG2-CD1 3.48Å; T20-Q92 VanDerWaalsContact CB-O 3.31Å; T20-Q92 WeakPolarHBondContact CB-O 3.33Å; T20-Q92 HydrophobicContact CG2-CB 4.06Å; T20-Q92 WeakPolarHBondContact CG2-O 3.5Å
21P98.3Very high87Confident66 Ų6689 Ų8943%0.42947%0.474SS..THydrogen-bonded Turntrans-58.1-18171.2-23.834.5000114S23 Q92 S93P21-S23 VanDerWaalsContact C-N 3.31Å; P21-Q92 VanDerWaalsContact CD-O 3.24Å; P21-Q92 WeakPolarHBondContact CD-O 3.48Å; P21-S93 WeakPolarHBondContact CD-O 3.33Å; P21-S93 VanDerWaalsContact CG-O 3.27Å; P21-S93 WeakPolarHBondContact CG-O 3.36Å
22Q98.2Very high89.4Confident71 Ų7182.4 Ų82.433%0.33244%0.442SS..THydrogen-bonded Turntrans-93.513.5174.9-53.575.127.300112.4T20 I24 G91 L209T20-Q22 PolarHBondContact O-N 2.94Å; T20-Q22 PolarHBondContact OG1-N 3.13Å; T20-Q22 PolarHBondContact OG1-OE1 3.41Å; Q22-I24 VanDerWaalsContact C-N 3.32Å; Q22-I24 PolarHBondContact O-N 3.34Å; Q22-G91 PolarHBondContact NE2-O 2.85Å; Q22-L209 HydrophobicContact CG-CD2 3.81Å
23S97.9Very high91.8Very high81 Ų8179.5 Ų79.557%0.56642%0.422SS*.SBendtrans69.315.1176.4-53.80000116.3R19 T20 P21R19-S23 PolarHBondContact NH1-O 3.04Å; T20-S23 WeakPolarHBondContact O-CA 3.27Å; T20-S23 PolarHBondContact O-N 3.3Å; T20-S23 PolarHBondContact OG1-N 3.46Å; P21-S23 VanDerWaalsContact C-N 3.31Å
24I98.1Very high93.9Very high68 Ų6871.3 Ų71.335%0.34938%0.384SS..  trans-84.7130.7175.9-53.9175.9000109.2R19 T20 Q22 L29R19-I24 CarbonylContact C-O 3.54Å; R19-I24 WeakPolarHBondContact CA-O 3.43Å; T20-I24 HydrophobicContact CG2-CB 4.26Å; T20-I24 WeakPolarHBondContact CG2-O 3.46Å; T20-I24 PolarHBondContact N-O 3.09Å; T20-I24 PolarHBondContact OG1-N 3.24Å; T20-I24 VanDerWaalsContact OG1-N 3.15Å; Q22-I24 VanDerWaalsContact C-N 3.32Å; Q22-I24 PolarHBondContact O-N 3.34Å; I24-L29 HydrophobicContact CB-CD1 4.13Å; I24-L29 HydrophobicContact CG2-CD1 3.74Å; I24-L29 HydrophobicContact CG2-CD2 4.25Å; I24-L29 HydrophobicContact CG2-CG 3.98Å
25P98.3Very high96Very high16 Ų1665.7 Ų65.710%0.10437%0.37CS..BIsolated β-bridgetrans-62.5134.9176.6-20.332.5000112.5R19 Q27 D28R19-P25 HydrophobicContact CG-CG 4.46Å; P25-Q27 HydrophobicContact CB-CG 3.64Å; P25-Q27 PolarHBondContact O-N 3.12Å; P25-D28 WeakPolarHBondContact CB-OD2 3.37Å; P25-D28 WeakPolarHBondContact CG-OD2 3.31Å; P25-D28 PolarHBondContact O-N 3.35Å; P25-D28 VanDerWaalsContact O-N 3.13Å
26Y98.4Very high97.3Very high1 Ų164.3 Ų64.30%0.00435%0.354CS..G310 helixtrans-65.8-26.7176.7-81.3-72000113.3R18 R19 T20 D28 L29 H31 Y39 F41 Q92 S93 E94R18-Y26 HydrophobicContact CB-CD2 4.16Å; R18-Y26 PolarHBondContact O-N 3.31Å; R19-Y26 WeakPolarHBondContact O-CE2 3.5Å; T20-Y26 HydrophobicContact CG2-CD1 4.24Å; T20-Y26 HydrophobicContact CG2-CE1 3.85Å; T20-Y26 HydrophobicContact CG2-CE2 4.37Å; Y26-D28 PolarHBondContact O-N 3.45Å; Y26-D28 VanDerWaalsContact O-N 3.11Å; Y26-L29 CarbonylContact O-C 3.32Å; Y26-L29 PolarHBondContact O-N 3.47Å; Y26-H31 HydrophobicContact CD1-CB 3.79Å; Y26-H31 HydrophobicContact CE1-CB 4.46Å; Y26-H31 PolarHBondContact O-CE1 3.06Å; Y26-H31 VanDerWaalsContact O-CE1 3.28Å; Y26-H31 PolarHBondContact O-ND1 3.29Å; Y26-Y39 HydrophobicContact CD1-CD1 4.13Å; Y26-Y39 AromaticContact CD2-CD1 3.68Å; Y26-Y39 HydrophobicContact CD2-CD1 3.68Å; Y26-Y39 AromaticContact CD2-CG 3.7Å; Y26-Y39 HydrophobicContact CD2-CG 3.7Å; Y26-Y39 HydrophobicContact CE2-CD1 4.35Å; Y26-Y39 AromaticContact CE2-CG 3.95Å; Y26-Y39 HydrophobicContact CE2-CG 3.95Å; Y26-Y39 AromaticContact CG-CD1 3.54Å; Y26-Y39 HydrophobicContact CG-CD1 3.54Å; Y26-Y39 HydrophobicContact CG-CE1 4.41Å; Y26-Y39 AromaticContact CG-CG 4Å; Y26-Y39 HydrophobicContact CG-CG 4Å; Y26-Y39 VanDerWaalsContact CZ-CB 3.41Å; Y26-Y39 PolarHBondContact OH-O 3.5Å; Y26-F41 HydrophobicContact CE1-CB 4.41Å; Y26-Q92 PolarHBondContact OH-O 3.02Å; Y26-S93 VanDerWaalsContact OH-CA 3.24Å; Y26-S93 WeakPolarHBondContact OH-CA 3.12Å; Y26-E94 HydrophobicContact CE2-CG 3.8Å; Y26-E94 PolarHBondContact OH-N 3.08Å
27Q97.8Very high98.1Very high143 Ų14361.2 Ų61.267%0.66834%0.338SS*.G310 helixtrans-57.9-22.8173.858.5172.254.500113.4P25P25-Q27 HydrophobicContact CB-CG 3.64Å; P25-Q27 PolarHBondContact O-N 3.12Å
28D98.2Very high98.4Very high103 Ų10360.8 Ų60.855%0.55133%0.331SS*.G310 helixtrans-95.40179.9-53.7-34.3000112P25 Y26P25-D28 WeakPolarHBondContact CB-OD2 3.37Å; P25-D28 WeakPolarHBondContact CG-OD2 3.31Å; P25-D28 PolarHBondContact O-N 3.35Å; P25-D28 VanDerWaalsContact O-N 3.13Å; Y26-D28 PolarHBondContact O-N 3.45Å; Y26-D28 VanDerWaalsContact O-N 3.11Å
29L98.6Very high98.4Very high34 Ų3458.3 Ų58.318%0.17832%0.322CS..SBendtrans-127.9148.1-174.7-61.5176.4000111.2T20 I24 Y26 H31 F41T20-L29 HydrophobicContact CG2-CD1 3.48Å; T20-L29 VanDerWaalsContact CG2-CD1 3.48Å; I24-L29 HydrophobicContact CB-CD1 4.13Å; I24-L29 HydrophobicContact CG2-CD1 3.74Å; I24-L29 HydrophobicContact CG2-CD2 4.25Å; I24-L29 HydrophobicContact CG2-CG 3.98Å; Y26-L29 CarbonylContact O-C 3.32Å; Y26-L29 PolarHBondContact O-N 3.47Å; L29-H31 PolarHBondContact O-N 3.18Å; L29-H31 PolarHBondContact O-ND1 2.72Å; L29-F41 HydrophobicContact CB-CD2 4.22Å; L29-F41 HydrophobicContact CB-CE2 4.3Å; L29-F41 HydrophobicContact CD1-CD2 4.07Å; L29-F41 HydrophobicContact CD1-CE2 4.33Å; L29-F41 HydrophobicContact CD2-CE2 4.28Å
30P98.7Very high98.5Very high66 Ų6652.6 Ų52.643%0.42930%0.301SS..  trans-62.2129166.5-13.727.4000109.4C42 Y44P30-C42 HydrophobicContact CB-CB 4.22Å; P30-C42 PolarHBondContact O-N 2.99Å; P30-Y44 HydrophobicContact CB-CD2 4.08Å; P30-Y44 HydrophobicContact CB-CE2 3.76Å
31H98.8Very high98.5Very high71 Ų7152.9 Ų52.933%0.32930%0.301SS..EExtended strand (participates in β ladder)trans-153.2163.9-17766.1-85.4000111.8Y26 L29 Y39 L40Y26-H31 HydrophobicContact CD1-CB 3.79Å; Y26-H31 HydrophobicContact CE1-CB 4.46Å; Y26-H31 PolarHBondContact O-CE1 3.06Å; Y26-H31 VanDerWaalsContact O-CE1 3.28Å; Y26-H31 PolarHBondContact O-ND1 3.29Å; L29-H31 PolarHBondContact O-N 3.18Å; L29-H31 PolarHBondContact O-ND1 2.72Å; H31-Y39 AromaticContact CD2-CD1 3.41Å; H31-Y39 VanDerWaalsContact CD2-CD1 3.41Å; H31-Y39 WeakPolarHBondContact CD2-CD1 3.48Å; H31-Y39 AromaticContact CD2-CE1 3.53Å; H31-Y39 AromaticContact NE2-CD1 3.93Å; H31-Y39 AromaticContact NE2-CE1 3.56Å; H31-L40 CarbonylContact C-O 3.54Å; H31-L40 WeakPolarHBondContact CA-O 3.29Å; H31-L40 WeakPolarHBondContact CB-O 3.46Å
32L98.8Very high98.5Very high25 Ų2549.7 Ų49.713%0.13128%0.281CS..EExtended strand (participates in β ladder)trans-131.5159.9164.369.381.7000109.4N34 Y39 L40 H113L32-N34 HydrophobicContact CD1-CB 4.46Å; L32-Y39 WeakPolarHBondContact O-CA 3.35Å; L32-L40 HydrophobicContact CD1-CB 4.03Å; L32-L40 HydrophobicContact CD1-CD1 3.85Å; L32-L40 HydrophobicContact CD1-CG 3.99Å; L32-L40 HydrophobicContact CG-CB 4.13Å; L32-L40 PolarHBondContact N-O 2.85Å; L32-L40 PolarHBondContact O-N 2.97Å; L32-H113 HydrophobicContact CD2-CB 3.73Å
33V98.8Very high98.5Very high57 Ų5749.9 Ų49.935%0.34528%0.278SS..EExtended strand (participates in β ladder)trans-107121.1172.5-177.30000108.1Q38 Y39 Q112V33-Q38 CarbonylContact C-O 3.26Å; V33-Q38 WeakPolarHBondContact CA-O 3.39Å; V33-Y39 HydrophobicContact CG2-CD1 4Å; V33-Y39 HydrophobicContact CG2-CD2 4.08Å; V33-Y39 HydrophobicContact CG2-CE1 3.79Å; V33-Y39 HydrophobicContact CG2-CE2 3.86Å; V33-Y39 HydrophobicContact CG2-CG 4.14Å; V33-Q112 PolarHBondContact O-NE2 3.04Å
34N98.7Very high98.6Very high6 Ų650.6 Ų50.63%0.03227%0.269CS..  trans-73.5174-179.578.8-0.9000112L32 D36 G37 Q38 L40 D109L32-N34 HydrophobicContact CD1-CB 4.46Å; N34-D36 PolarHBondContact O-N 3.08Å; N34-D36 VanDerWaalsContact O-N 3.08Å; N34-D36 WeakPolarHBondContact OD1-CA 3.07Å; N34-D36 PolarHBondContact OD1-N 3.02Å; N34-G37 PolarHBondContact O-N 3.21Å; N34-G37 PolarHBondContact OD1-N 3.4Å; N34-Q38 PolarHBondContact N-O 3.04Å; N34-Q38 PolarHBondContact ND2-OE1 3.2Å; N34-Q38 WeakPolarHBondContact OD1-CB 3.42Å; N34-Q38 PolarHBondContact OD1-N 3.42Å; N34-Q38 PolarHBondContact OD1-O 3.49Å; N34-L40 HydrophobicContact CB-CD1 4.23Å; N34-L40 HydrophobicContact CB-CG 4.37Å; N34-D109 WeakPolarHBondContact CB-OD2 3.42Å; N34-D109 PolarHBondContact ND2-OD2 3.25Å
35A98.5Very high98.6Very high74 Ų7448.2 Ų48.261%0.61226%0.256SS*.THydrogen-bonded Turntrans-63.5-15.1-178.700000114.4
36D98.3Very high98.6Very high81 Ų8153.6 Ų53.643%0.43328%0.278SS..THydrogen-bonded Turntrans-94.57.2175.6-55.9-35.1000112.5N34 Q38 R108N34-D36 PolarHBondContact O-N 3.08Å; N34-D36 VanDerWaalsContact O-N 3.08Å; N34-D36 WeakPolarHBondContact OD1-CA 3.07Å; N34-D36 PolarHBondContact OD1-N 3.02Å; D36-Q38 VanDerWaalsContact C-N 3.33Å; D36-Q38 HydrophobicContact CB-CG 4.4Å; D36-R108 VanDerWaalsContact CG-NH2 3.32Å; D36-R108 IonicContact OD1-CZ 2.7Å; D36-R108 IonicContact OD1-NH1 3.74Å; D36-R108 PolarHBondContact OD1-NH1 2.81Å; D36-R108 IonicContact OD1-NH2 2.57Å; D36-R108 IonicContact OD2-CZ 2.77Å; D36-R108 IonicContact OD2-NH1 2.74Å; D36-R108 PolarHBondContact OD2-NH1 3.06Å; D36-R108 IonicContact OD2-NH2 3.8Å; D36-R108 PolarHBondContact OD2-NH2 3.45Å
37G98.5Very high98.6Very high34 Ų3454 Ų5435%0.35128%0.281SS..SBendtrans76.718179.600000114.3R18 N34R18-G37 PolarHBondContact NH2-O 3.08Å; N34-G37 PolarHBondContact O-N 3.21Å; N34-G37 PolarHBondContact OD1-N 3.4Å
38Q98.7Very high98.4Very high48 Ų4854.7 Ų54.722%0.22430%0.295CS..  trans-96.5137.5178.5-56.2174.5-66.800110.6V33 N34 D36 V88 E94V33-Q38 CarbonylContact C-O 3.26Å; V33-Q38 WeakPolarHBondContact CA-O 3.39Å; N34-Q38 PolarHBondContact N-O 3.04Å; N34-Q38 PolarHBondContact ND2-OE1 3.2Å; N34-Q38 WeakPolarHBondContact OD1-CB 3.42Å; N34-Q38 PolarHBondContact OD1-N 3.42Å; N34-Q38 PolarHBondContact OD1-O 3.49Å; D36-Q38 VanDerWaalsContact C-N 3.33Å; D36-Q38 HydrophobicContact CB-CG 4.4Å; Q38-V88 VanDerWaalsContact OE1-CG2 3.31Å; Q38-E94 WeakPolarHBondContact CA-OE2 3.32Å; Q38-E94 HydrophobicContact CB-CB 4.32Å
39Y98.9Very high98.2Very high54 Ų5451.6 Ų51.621%0.21229%0.287CS..EExtended strand (participates in β ladder)trans-79.6126.6176.5-76-111.1000109.9R18 Y26 H31 L32 V33 E94R18-Y39 HydrophobicContact CB-CD2 4.15Å; R18-Y39 HydrophobicContact CB-CE1 4.45Å; R18-Y39 HydrophobicContact CB-CE2 3.92Å; R18-Y39 HydrophobicContact CG-CD2 4.22Å; R18-Y39 HydrophobicContact CG-CE2 3.67Å; Y26-Y39 HydrophobicContact CD1-CD1 4.13Å; Y26-Y39 AromaticContact CD2-CD1 3.68Å; Y26-Y39 HydrophobicContact CD2-CD1 3.68Å; Y26-Y39 AromaticContact CD2-CG 3.7Å; Y26-Y39 HydrophobicContact CD2-CG 3.7Å; Y26-Y39 HydrophobicContact CE2-CD1 4.35Å; Y26-Y39 AromaticContact CE2-CG 3.95Å; Y26-Y39 HydrophobicContact CE2-CG 3.95Å; Y26-Y39 AromaticContact CG-CD1 3.54Å; Y26-Y39 HydrophobicContact CG-CD1 3.54Å; Y26-Y39 HydrophobicContact CG-CE1 4.41Å; Y26-Y39 AromaticContact CG-CG 4Å; Y26-Y39 HydrophobicContact CG-CG 4Å; Y26-Y39 VanDerWaalsContact CZ-CB 3.41Å; Y26-Y39 PolarHBondContact OH-O 3.5Å; H31-Y39 AromaticContact CD2-CD1 3.41Å; H31-Y39 VanDerWaalsContact CD2-CD1 3.41Å; H31-Y39 WeakPolarHBondContact CD2-CD1 3.48Å; H31-Y39 AromaticContact CD2-CE1 3.53Å; H31-Y39 AromaticContact NE2-CD1 3.93Å; H31-Y39 AromaticContact NE2-CE1 3.56Å; L32-Y39 WeakPolarHBondContact O-CA 3.35Å; V33-Y39 HydrophobicContact CG2-CD1 4Å; V33-Y39 HydrophobicContact CG2-CD2 4.08Å; V33-Y39 HydrophobicContact CG2-CE1 3.79Å; V33-Y39 HydrophobicContact CG2-CE2 3.86Å; V33-Y39 HydrophobicContact CG2-CG 4.14Å; Y39-E94 PolarHBondContact N-OE2 2.95Å; Y39-E94 PolarHBondContact O-N 3.08Å
40L98.9Very high98.1Very high0 Ų056 Ų560%032%0.316CS..EExtended strand (participates in β ladder)trans-106.6126.8171-52.5-172.5000109.4H31 L32 N34 H85 V88 S93 D109H31-L40 CarbonylContact C-O 3.54Å; H31-L40 WeakPolarHBondContact CA-O 3.29Å; H31-L40 WeakPolarHBondContact CB-O 3.46Å; L32-L40 HydrophobicContact CD1-CB 4.03Å; L32-L40 HydrophobicContact CD1-CD1 3.85Å; L32-L40 HydrophobicContact CD1-CG 3.99Å; L32-L40 HydrophobicContact CG-CB 4.13Å; L32-L40 PolarHBondContact N-O 2.85Å; L32-L40 PolarHBondContact O-N 2.97Å; N34-L40 HydrophobicContact CB-CD1 4.23Å; N34-L40 HydrophobicContact CB-CG 4.37Å; L40-H85 HydrophobicContact CB-CB 4.35Å; L40-V88 HydrophobicContact CD2-CB 4.09Å; L40-S93 WeakPolarHBondContact CA-OG 3.4Å; L40-D109 HydrophobicContact CD1-CB 3.89Å
41F98.9Very high98Very high11 Ų1153.3 Ų53.35%0.04830%0.298CS..EExtended strand (participates in β ladder)trans-67.1131.9171.5170.5-97.6000109.7Y26 L29 R43 H85 D86 Q92 S93Y26-F41 HydrophobicContact CE1-CB 4.41Å; L29-F41 HydrophobicContact CB-CD2 4.22Å; L29-F41 HydrophobicContact CB-CE2 4.3Å; L29-F41 HydrophobicContact CD1-CD2 4.07Å; L29-F41 HydrophobicContact CD1-CE2 4.33Å; L29-F41 HydrophobicContact CD2-CE2 4.28Å; F41-R43 HydrophobicContact CE1-CB 4.17Å; F41-H85 CarbonylContact O-C 3.58Å; F41-H85 WeakPolarHBondContact O-CA 3.41Å; F41-H85 WeakPolarHBondContact O-CB 3.38Å; F41-D86 HydrophobicContact CB-CB 4.41Å; F41-D86 WeakPolarHBondContact CD1-OD2 3.42Å; F41-D86 PolarHBondContact O-N 2.61Å; F41-Q92 HydrophobicContact CB-CB 3.65Å; F41-Q92 HydrophobicContact CD1-CB 4.21Å; F41-Q92 HydrophobicContact CD2-CB 4.11Å; F41-Q92 VanDerWaalsContact CE2-NE2 3.33Å; F41-Q92 HydrophobicContact CG-CB 3.71Å; F41-S93 PolarHBondContact N-OG 2.65Å
42C98.9Very high98Very high0 Ų054.9 Ų54.90%030%0.304CS..EExtended strand (participates in β ladder)trans-112.6151.5179.2-59.20000111.4P30 Y44 A84P30-C42 HydrophobicContact CB-CB 4.22Å; P30-C42 PolarHBondContact O-N 2.99Å; C42-Y44 HydrophobicContact CB-CE2 3.67Å; C42-A84 CarbonylContact C-O 3.59Å; C42-A84 WeakPolarHBondContact CA-O 3.29Å
43R98.8Very high98Very high75 Ų7553.7 Ų53.728%0.28330%0.298SS..EExtended strand (participates in β ladder)trans-135.6140.7173-167.9176.2-81-130.1-0.1110.1F41 W45 E69 F83 A84F41-R43 HydrophobicContact CE1-CB 4.17Å; R43-W45 HydrophobicContact CB-CH2 3.96Å; R43-W45 HydrophobicContact CB-CZ3 3.99Å; R43-W45 HydrophobicContact CG-CD2 4.35Å; R43-W45 HydrophobicContact CG-CE3 4.19Å; R43-W45 HydrophobicContact CG-CH2 3.52Å; R43-W45 HydrophobicContact CG-CZ2 3.66Å; R43-W45 HydrophobicContact CG-CZ3 3.77Å; R43-E69 IonicContact NH1-OE2 3.62Å; R43-E69 PolarHBondContact NH1-OE2 2.86Å; R43-F83 CarbonylContact O-C 3.5Å; R43-F83 WeakPolarHBondContact O-CA 3.47Å; R43-A84 PolarHBondContact N-O 2.75Å; R43-A84 PolarHBondContact O-N 2.71Å
44Y98.8Very high98Very high96 Ų9651 Ų5138%0.37628%0.281SS..EExtended strand (participates in β ladder)trans-134.5135.7-176.3-55.3-82.1000110.1P30 C42 V82 F83 H113 M117P30-Y44 HydrophobicContact CB-CD2 4.08Å; P30-Y44 HydrophobicContact CB-CE2 3.76Å; C42-Y44 HydrophobicContact CB-CE2 3.67Å; Y44-V82 WeakPolarHBondContact CA-O 3.37Å; Y44-F83 HydrophobicContact CD1-CB 3.56Å; Y44-F83 HydrophobicContact CE1-CB 3.83Å; Y44-H113 AromaticContact CE1-NE2 3.56Å; Y44-H113 AromaticContact CZ-NE2 3.64Å; Y44-H113 PolarHBondContact OH-NE2 3.1Å; Y44-H113 VanDerWaalsContact OH-NE2 3.08Å; Y44-M117 HydrophobicContact CD1-CE 4.39Å; Y44-M117 HydrophobicContact CD1-SD 4.41Å; Y44-M117 HydrophobicContact CE1-CE 4.27Å; Y44-M117 HydrophobicContact CE1-SD 3.72Å
45W98.8Very high98Very high17 Ų1750.7 Ų50.76%0.06428%0.28CS..EExtended strand (participates in β ladder)trans-122.199.1169.9-56.6-103.2000107.3R43 E69 A72 M76 V82 A84R43-W45 HydrophobicContact CB-CH2 3.96Å; R43-W45 HydrophobicContact CB-CZ3 3.99Å; R43-W45 HydrophobicContact CG-CD2 4.35Å; R43-W45 HydrophobicContact CG-CE3 4.19Å; R43-W45 HydrophobicContact CG-CH2 3.52Å; R43-W45 HydrophobicContact CG-CZ2 3.66Å; R43-W45 HydrophobicContact CG-CZ3 3.77Å; W45-E69 WeakPolarHBondContact CZ2-OE2 3.49Å; W45-E69 PolarHBondContact NE1-OE1 3.2Å; W45-E69 PolarHBondContact NE1-OE2 3.23Å; W45-A72 HydrophobicContact CD2-CB 3.45Å; W45-A72 VanDerWaalsContact CD2-CB 3.45Å; W45-A72 VanDerWaalsContact CE2-CB 3.48Å; W45-A72 HydrophobicContact CE3-CB 3.75Å; W45-A72 HydrophobicContact CG-CB 3.83Å; W45-A72 HydrophobicContact CH2-CB 4.01Å; W45-A72 HydrophobicContact CZ2-CB 3.73Å; W45-A72 HydrophobicContact CZ3-CB 4.05Å; W45-M76 HydrophobicContact CB-CB 4.27Å; W45-M76 HydrophobicContact CB-CG 4.45Å; W45-M76 HydrophobicContact CB-SD 3.97Å; W45-V82 HydrophobicContact CB-CB 4.15Å; W45-V82 HydrophobicContact CE3-CB 3.99Å; W45-V82 HydrophobicContact CE3-CG1 3.85Å; W45-V82 HydrophobicContact CZ3-CG1 4.18Å; W45-V82 PolarHBondContact N-O 2.77Å; W45-V82 PolarHBondContact O-N 2.96Å; W45-A84 HydrophobicContact CZ3-CB 4.07Å
46K98.3Very high98Very high129 Ų12947.2 Ų47.256%0.56125%0.251SS*.  trans-100.2126.3-172.6-176.8172.8173170.70109.5L81 Y121K46-L81 HydrophobicContact CG-CD1 4.38Å; K46-Y121 WeakPolarHBondContact CE-OH 3.43Å; K46-Y121 PolarHBondContact NZ-OH 3.32Å; K46-Y121 VanDerWaalsContact NZ-OH 3.07Å
47P97.3Very high98.1Very high10 Ų1043.4 Ų43.47%0.06523%0.23CC..  trans-65.9159.517429.6-34.6000110.3G49 P51 M76 L80P47-G49 VanDerWaalsContact C-N 3.3Å; P47-G49 PolarHBondContact O-N 3.03Å; P47-P51 HydrophobicContact CG-CB 4.25Å; P47-P51 HydrophobicContact CG-CG 4Å; P47-M76 HydrophobicContact CB-CG 4.22Å; P47-L80 WeakPolarHBondContact CD-O 3.38Å
48T94.6Very high98.1Very high158 Ų15841.8 Ų41.897%0.96921%0.214SC*.SBendtrans-67-32.2179.350.70000112.5
49G93.9Very high98.1Very high38 Ų3839.5 Ų39.539%0.39220%0.203SC..SBendtrans-94.6-171.7178.200000114.6P47 P51P47-G49 VanDerWaalsContact C-N 3.3Å; P47-G49 PolarHBondContact O-N 3.03Å; G49-P51 WeakPolarHBondContact O-CD 3.42Å
50T95.4Very high98Very high127 Ų12737 Ų3778%0.77919%0.194SC*.  trans-67123.6173.1-56.20000109.9
51P98Very high98Very high8 Ų838.3 Ų38.35%0.05220%0.204CC..  trans-63141.5178.7-19.630.9000112.2P47 G49 D79 L81 Y121 L124P47-P51 HydrophobicContact CG-CB 4.25Å; P47-P51 HydrophobicContact CG-CG 4Å; G49-P51 WeakPolarHBondContact O-CD 3.42Å; P51-D79 CarbonylContact C-O 3.38Å; P51-D79 VanDerWaalsContact CA-O 3.27Å; P51-D79 WeakPolarHBondContact CA-O 3.27Å; P51-L81 HydrophobicContact CB-CB 3.89Å; P51-L81 HydrophobicContact CG-CB 3.79Å; P51-L81 HydrophobicContact CG-CD1 4.22Å; P51-Y121 HydrophobicContact CG-CD1 4.34Å; P51-Y121 HydrophobicContact CG-CE1 3.98Å; P51-L124 HydrophobicContact CB-CD1 3.95Å; P51-L124 WeakPolarHBondContact O-CD1 3.47Å; P51-L124 WeakPolarHBondContact O-CD2 3.5Å
52K98.1Very high97.8Very high105 Ų10537.9 Ų37.946%0.45720%0.203SC..SBendtrans-79.6-29.3172.7-68.2174.3-179146.10112.5D79K52-D79 HydrophobicContact CD-CB 3.97Å; K52-D79 WeakPolarHBondContact CE-OD2 3.41Å; K52-D79 HydrophobicContact CG-CB 4.02Å; K52-D79 PolarHBondContact N-O 3.42Å; K52-D79 IonicContact NZ-OD2 3.13Å; K52-D79 PolarHBondContact NZ-OD2 2.98Å
53A98.7Very high97.8Very high0 Ų038.2 Ų38.20%021%0.205CC..EExtended strand (participates in β ladder)trans-157.9166.8179.500000110L80 L81 P125 F127 T304A53-L80 HydrophobicContact CB-CD2 4.26Å; A53-L80 HydrophobicContact CB-CG 4.07Å; A53-L80 WeakPolarHBondContact O-CA 3.21Å; A53-L81 PolarHBondContact O-N 3.05Å; A53-P125 WeakPolarHBondContact CA-O 3.35Å; A53-P125 HydrophobicContact CB-CG 3.75Å; A53-P125 WeakPolarHBondContact CB-O 3.36Å; A53-F127 HydrophobicContact CB-CD2 4Å; A53-F127 HydrophobicContact CB-CE2 3.87Å; A53-T304 HydrophobicContact CB-CG2 3.88Å
54L98.9Very high97.8Very high0 Ų035 Ų350%019%0.193CC..EExtended strand (participates in β ladder)trans-103.3149.5167.7-47.1179.5000109.3L81 F83 M117 Q118 Y121 L124 P125 V126 F127L54-L81 WeakPolarHBondContact CA-O 3.2Å; L54-L81 HydrophobicContact CD2-CB 3.77Å; L54-L81 HydrophobicContact CD2-CD1 4.24Å; L54-L81 HydrophobicContact CD2-CD2 4.44Å; L54-L81 HydrophobicContact CD2-CG 4.37Å; L54-F83 HydrophobicContact CB-CD1 4.42Å; L54-F83 HydrophobicContact CB-CE1 3.81Å; L54-M117 HydrophobicContact CD1-CB 4.05Å; L54-Q118 HydrophobicContact CD1-CG 4.23Å; L54-Y121 HydrophobicContact CD2-CD2 4.28Å; L54-Y121 HydrophobicContact CD2-CG 4.01Å; L54-L124 HydrophobicContact CD2-CD1 4.03Å; L54-L124 HydrophobicContact CG-CB 4.29Å; L54-L124 HydrophobicContact CG-CD1 4.44Å; L54-P125 PolarHBondContact N-O 2.88Å; L54-V126 HydrophobicContact CB-CG1 4.3Å; L54-V126 HydrophobicContact CB-CG2 4.1Å; L54-V126 HydrophobicContact CD1-CG2 3.96Å; L54-V126 HydrophobicContact CG-CG2 4.32Å; L54-V126 WeakPolarHBondContact O-CA 3.5Å; L54-F127 PolarHBondContact O-N 2.87Å
55I98.9Very high97.8Very high0 Ų030.5 Ų30.50%018%0.175CC..EExtended strand (participates in β ladder)trans-139.9121.6169.9-174161.8000111.3L75 L80 L81 V82 F83 F127 L129I55-L75 HydrophobicContact CD1-CD1 4Å; I55-L75 HydrophobicContact CD1-CD2 4.31Å; I55-L75 HydrophobicContact CG2-CD1 4.13Å; I55-L80 HydrophobicContact CB-CD2 4.03Å; I55-L80 HydrophobicContact CG2-CB 4.12Å; I55-L80 HydrophobicContact CG2-CD2 3.81Å; I55-L81 PolarHBondContact N-O 3.31Å; I55-V82 HydrophobicContact CG2-CB 4.09Å; I55-V82 HydrophobicContact CG2-CG1 4.09Å; I55-V82 HydrophobicContact CG2-CG2 3.7Å; I55-V82 WeakPolarHBondContact O-CA 3.2Å; I55-F83 VanDerWaalsContact O-CD1 3.32Å; I55-F83 WeakPolarHBondContact O-CD1 3.5Å; I55-F83 PolarHBondContact O-N 2.73Å; I55-F127 WeakPolarHBondContact CA-O 3.38Å; I55-F127 HydrophobicContact CB-CB 3.99Å; I55-F127 HydrophobicContact CD1-CB 3.78Å; I55-F127 HydrophobicContact CG1-CB 3.73Å; I55-L129 HydrophobicContact CD1-CB 4.12Å; I55-L129 HydrophobicContact CG1-CB 4.32Å
56F98.9Very high97.8Very high1 Ų130.5 Ų30.50%0.00418%0.181CC..EExtended strand (participates in β ladder)trans-86128.8174.5-179-98.6000110.4F83 H85 V110 H113 V114 F127 L128 L129F56-F83 CarbonylContact C-O 3.45Å; F56-F83 VanDerWaalsContact CA-O 3.27Å; F56-F83 WeakPolarHBondContact CA-O 3.34Å; F56-F83 HydrophobicContact CB-CE1 4.02Å; F56-F83 HydrophobicContact CB-CE2 4Å; F56-F83 HydrophobicContact CB-CZ 3.69Å; F56-F83 AromaticContact CD2-CD2 3.68Å; F56-F83 HydrophobicContact CD2-CD2 3.68Å; F56-F83 AromaticContact CD2-CE2 3.52Å; F56-F83 HydrophobicContact CD2-CE2 3.52Å; F56-F83 HydrophobicContact CD2-CG 4.44Å; F56-F83 HydrophobicContact CD2-CZ 4.14Å; F56-F83 HydrophobicContact CE2-CD2 4.47Å; F56-F83 HydrophobicContact CE2-CE2 4.49Å; F56-F83 HydrophobicContact CG-CE2 4.21Å; F56-F83 HydrophobicContact CG-CZ 4.39Å; F56-H85 AromaticContact CE2-CE1 3.9Å; F56-H85 AromaticContact CE2-ND1 3.9Å; F56-H85 AromaticContact CZ-CE1 3.72Å; F56-H85 AromaticContact CZ-NE2 3.66Å; F56-V110 HydrophobicContact CD1-CG1 3.74Å; F56-V110 HydrophobicContact CD1-CG2 4.29Å; F56-V110 HydrophobicContact CE1-CB 4.19Å; F56-V110 HydrophobicContact CE1-CG1 3.73Å; F56-V110 HydrophobicContact CE1-CG2 3.42Å; F56-V110 VanDerWaalsContact CE1-CG2 3.42Å; F56-V110 HydrophobicContact CG-CG1 4.28Å; F56-V110 HydrophobicContact CZ-CB 4.4Å; F56-V110 HydrophobicContact CZ-CG1 4.25Å; F56-V110 HydrophobicContact CZ-CG2 3.64Å; F56-H113 AromaticContact CE2-ND1 3.83Å; F56-V114 HydrophobicContact CB-CG2 4.38Å; F56-F127 PolarHBondContact N-O 3.3Å; F56-L128 HydrophobicContact CB-CD2 3.89Å; F56-L128 HydrophobicContact CD1-CD2 4.35Å; F56-L129 PolarHBondContact O-N 2.83Å
57V98.9Very high97.8Very high0 Ų025.3 Ų25.30%016%0.157CC..EExtended strand (participates in β ladder)trans-101.2117.7174.7177.80000110.3Y68 V82 F83 A84 L129V57-Y68 HydrophobicContact CG1-CD1 3.41Å; V57-Y68 VanDerWaalsContact CG1-CD1 3.41Å; V57-Y68 HydrophobicContact CG1-CD2 4.03Å; V57-Y68 HydrophobicContact CG1-CE1 3.97Å; V57-Y68 HydrophobicContact CG1-CG 3.45Å; V57-Y68 VanDerWaalsContact CG1-CG 3.45Å; V57-V82 HydrophobicContact CG2-CG1 3.56Å; V57-F83 PolarHBondContact N-O 2.79Å; V57-A84 HydrophobicContact CB-CB 4.15Å; V57-A84 WeakPolarHBondContact O-CB 3.43Å; V57-L129 CarbonylContact C-O 3.47Å; V57-L129 WeakPolarHBondContact CA-O 3.17Å; V57-L129 HydrophobicContact CG1-CD2 4.09Å; V57-L129 HydrophobicContact CG2-CB 4.42Å
58S98.9Very high97.9Very high1 Ų124.9 Ų24.91%0.00716%0.155CC..EExtended strand (participates in β ladder)trans-106.2108.1-178.6-170.20000110.6H87 L129 G130 H131 G134S58-H87 PolarHBondContact OG-NE2 2.93Å; S58-H87 VanDerWaalsContact OG-NE2 3.15Å; S58-L129 PolarHBondContact N-O 3.49Å; S58-G130 WeakPolarHBondContact O-CA 3.41Å; S58-H131 PolarHBondContact O-N 3.35Å; S58-G134 WeakPolarHBondContact CB-O 3.35Å; S58-G134 WeakPolarHBondContact O-CA 3.23Å; S58-G134 VanDerWaalsContact OG-CA 3.22Å; S58-G134 WeakPolarHBondContact OG-CA 3.44Å; S58-G134 PolarHBondContact OG-O 2.97Å; S58-G134 VanDerWaalsContact OG-O 3.08Å
59H98.9Very high98.1Very high0 Ų019.9 Ų19.90%012%0.12CC..  trans-78163-178.674.178.7000113.1E63 Y68 H85 D86 H87 H90 G134H59-E63 HydrophobicContact CB-CG 4.16Å; H59-E63 PolarHBondContact CE1-O 3.38Å; H59-E63 PolarHBondContact ND1-O 3.48Å; H59-Y68 HydrophobicContact CB-CD2 4.26Å; H59-Y68 HydrophobicContact CB-CE2 3.46Å; H59-Y68 VanDerWaalsContact CB-CE2 3.46Å; H59-H85 PolarHBondContact CD2-O 3.35Å; H59-D86 WeakPolarHBondContact NE2-CA 3.39Å; H59-H87 AromaticContact CD2-CD2 3.65Å; H59-H87 AromaticContact CE1-CD2 3.47Å; H59-H87 PolarHBondContact CE1-CD2 2.87Å; H59-H87 VanDerWaalsContact CE1-CD2 3.47Å; H59-H87 AromaticContact CE1-CG 3.97Å; H59-H87 AromaticContact CG-CD2 3.9Å; H59-H87 AromaticContact ND1-CD2 3.78Å; H59-H87 AromaticContact NE2-CD2 3.39Å; H59-H87 PolarHBondContact NE2-CD2 2.8Å; H59-H87 AromaticContact NE2-CG 3.67Å; H59-H87 PolarHBondContact NE2-N 2.81Å; H59-H87 PolarHBondContact O-CD2 2.91Å; H59-H87 PolarHBondContact O-NE2 2.63Å; H59-H90 AromaticContact CE1-CD2 3.83Å; H59-H90 AromaticContact CE1-CG 3.69Å; H59-G134 WeakPolarHBondContact O-CA 3.16Å; H59-G134 PolarHBondContact O-N 3.35Å
60G98Very high98.3Very high2 Ų222.9 Ų22.92%0.02112%0.124CC..  trans-80178.617900000114.7E63G60-E63 PolarHBondContact N-OE1 2.95Å; G60-E63 VanDerWaalsContact O-CG 3.3Å; G60-E63 WeakPolarHBondContact O-CG 3.4Å
61A97.6Very high98.4Very high26 Ų2617 Ų1722%0.2159%0.088CC..THydrogen-bonded Turntrans-67.1136.9179.300000111.2E63 M98 M133 F219A61-E63 PolarHBondContact O-N 3.25Å; A61-E63 VanDerWaalsContact O-N 3.14Å; A61-M98 HydrophobicContact CB-CE 4.13Å; A61-M133 HydrophobicContact CB-CB 4.07Å; A61-M133 HydrophobicContact CB-CE 4.26Å; A61-M133 HydrophobicContact CB-SD 3.76Å; A61-F219 HydrophobicContact CB-CE1 4.12Å; A61-F219 HydrophobicContact CB-CZ 4.48Å
62G95.8Very high98.5Very high2 Ų216.6 Ų16.62%0.0219%0.085CC..THydrogen-bonded Turntrans77.4-16.8176.700000115.5H90 M98 I210 C211G62-H90 PolarHBondContact N-CD2 2.9Å; G62-H90 PolarHBondContact N-NE2 2.92Å; G62-M98 VanDerWaalsContact CA-SD 3.6Å; G62-I210 CarbonylContact O-C 3.53Å; G62-I210 VanDerWaalsContact O-CA 3.31Å; G62-I210 WeakPolarHBondContact O-CA 3.44Å; G62-I210 WeakPolarHBondContact O-CG2 3.48Å; G62-C211 PolarHBondContact O-N 2.75Å
63E98.1Very high98.5Very high8 Ų816.3 Ų16.34%0.0379%0.085CC..  trans-96.5-164.3173.463.2167.1-160.300112.7H59 G60 A61 Y68 H90 H131H59-E63 HydrophobicContact CB-CG 4.16Å; H59-E63 PolarHBondContact CE1-O 3.38Å; H59-E63 PolarHBondContact ND1-O 3.48Å; G60-E63 PolarHBondContact N-OE1 2.95Å; G60-E63 VanDerWaalsContact O-CG 3.3Å; G60-E63 WeakPolarHBondContact O-CG 3.4Å; A61-E63 PolarHBondContact O-N 3.25Å; A61-E63 VanDerWaalsContact O-N 3.14Å; E63-Y68 WeakPolarHBondContact OE1-CE2 3.18Å; E63-Y68 PolarHBondContact OE1-OH 3.33Å; E63-H90 PolarHBondContact O-CD2 2.85Å; E63-H131 IonicContact OE1-CD2 3.96Å
64H98.9Very high98.5Very high8 Ų817.8 Ų17.84%0.0379%0.093CC..  trans-155.8168.3-17573.898.7000111.2G66 R67 D86 D207 L209H64-G66 PolarHBondContact ND1-N 3.43Å; H64-G66 VanDerWaalsContact ND1-N 3.19Å; H64-G66 PolarHBondContact O-N 3.39Å; H64-G66 VanDerWaalsContact O-N 3.15Å; H64-R67 PolarHBondContact O-N 2.98Å; H64-D86 WeakPolarHBondContact CB-OD1 3.44Å; H64-D207 IonicContact CD2-OD2 3.14Å; H64-D207 IonicContact NE2-OD1 2.71Å; H64-D207 IonicContact NE2-OD2 3.2Å; H64-D207 PolarHBondContact NE2-OD2 2.85Å; H64-L209 VanDerWaalsContact CD2-CB 3.47Å; H64-L209 WeakPolarHBondContact CD2-CB 3.47Å; H64-L209 VanDerWaalsContact CE1-CD1 3.44Å; H64-L209 WeakPolarHBondContact CE1-CD1 3.39Å
65C98.6Very high98.5Very high0 Ų017.8 Ų17.80%09%0.093CC..G310 helixtrans-66.2-19.7-170.579.10000114.4R67 Y68 A84 D86C65-R67 PolarHBondContact O-N 3.37Å; C65-Y68 PolarHBondContact O-N 2.89Å; C65-A84 HydrophobicContact CB-CB 3.7Å; C65-D86 WeakPolarHBondContact CB-OD1 3.45Å; C65-D86 PolarHBondContact N-OD1 3.04Å; C65-D86 PolarHBondContact SG-OD1 3.19Å
66G98.6Very high98.5Very high17 Ų1720.5 Ų20.518%0.17511%0.106CC..G310 helixtrans-66.6-21179.900000113.7H64 Y68 E69H64-G66 PolarHBondContact ND1-N 3.43Å; H64-G66 VanDerWaalsContact ND1-N 3.19Å; H64-G66 PolarHBondContact O-N 3.39Å; H64-G66 VanDerWaalsContact O-N 3.15Å; G66-Y68 PolarHBondContact O-N 2.84Å; G66-E69 PolarHBondContact O-N 2.87Å
67R98.6Very high98.4Very high20 Ų2023.3 Ų23.38%0.07514%0.136CC..G310 helixtrans-70.3-11.1177.6-62.4-155.668.181.4-0.5114.3H64 C65 D207H64-R67 PolarHBondContact O-N 2.98Å; C65-R67 PolarHBondContact O-N 3.37Å; R67-D207 IonicContact NH1-OD2 2.73Å; R67-D207 PolarHBondContact NH1-OD2 3.3Å
68Y98.8Very high98.4Very high1 Ų124.7 Ų24.70%0.00414%0.143CC..G310 helixtrans-98.39-177.1-65.5-97.2000113.3V57 H59 E63 C65 G66 E70 L71 A72 L129 H131V57-Y68 HydrophobicContact CG1-CD1 3.41Å; V57-Y68 VanDerWaalsContact CG1-CD1 3.41Å; V57-Y68 HydrophobicContact CG1-CD2 4.03Å; V57-Y68 HydrophobicContact CG1-CE1 3.97Å; V57-Y68 HydrophobicContact CG1-CG 3.45Å; V57-Y68 VanDerWaalsContact CG1-CG 3.45Å; H59-Y68 HydrophobicContact CB-CD2 4.26Å; H59-Y68 HydrophobicContact CB-CE2 3.46Å; H59-Y68 VanDerWaalsContact CB-CE2 3.46Å; E63-Y68 WeakPolarHBondContact OE1-CE2 3.18Å; E63-Y68 PolarHBondContact OE1-OH 3.33Å; C65-Y68 PolarHBondContact O-N 2.89Å; G66-Y68 PolarHBondContact O-N 2.84Å; Y68-E70 PolarHBondContact O-N 3.41Å; Y68-L71 PolarHBondContact O-N 2.92Å; Y68-L71 VanDerWaalsContact O-N 3.13Å; Y68-A72 WeakPolarHBondContact O-CB 3.41Å; Y68-A72 PolarHBondContact O-N 3.3Å; Y68-L129 HydrophobicContact CD1-CD2 4.25Å; Y68-L129 HydrophobicContact CE1-CD2 4.16Å; Y68-H131 HydrophobicContact CE1-CB 4.37Å; Y68-H131 WeakPolarHBondContact OH-CB 3.38Å
69E98.7Very high98.3Very high54 Ų5427.4 Ų27.425%0.25216%0.157SC..Hα-helixtrans-49.5-53.4-174.4-173.960.9-139.800113.4R43 W45 G66 L71 A72 Q73R43-E69 IonicContact NH1-OE2 3.62Å; R43-E69 PolarHBondContact NH1-OE2 2.86Å; W45-E69 WeakPolarHBondContact CZ2-OE2 3.49Å; W45-E69 PolarHBondContact NE1-OE1 3.2Å; W45-E69 PolarHBondContact NE1-OE2 3.23Å; G66-E69 PolarHBondContact O-N 2.87Å; E69-L71 VanDerWaalsContact C-N 3.33Å; E69-L71 PolarHBondContact O-N 2.89Å; E69-A72 PolarHBondContact O-N 3.23Å; E69-Q73 WeakPolarHBondContact O-CB 3.41Å; E69-Q73 VanDerWaalsContact O-CG 3.31Å; E69-Q73 WeakPolarHBondContact O-CG 3.48Å; E69-Q73 PolarHBondContact O-N 2.97Å; E69-Q73 PolarHBondContact OE1-NE2 3.34Å
70E98.6Very high98.3Very high101 Ų10127.4 Ų27.447%0.47216%0.157SC..Hα-helixtrans-64.1-39-178.4-64.1170.6136.500112.3Y68 Q73 M74 K283 F293Y68-E70 PolarHBondContact O-N 3.41Å; E70-Q73 PolarHBondContact O-N 3.44Å; E70-M74 PolarHBondContact O-N 2.97Å; E70-M74 VanDerWaalsContact O-N 3.07Å; E70-K283 IonicContact OE2-NZ 3.81Å; E70-K283 PolarHBondContact OE2-NZ 3.28Å; E70-F293 HydrophobicContact CB-CE1 3.98Å; E70-F293 HydrophobicContact CB-CZ 3.9Å
71L98.6Very high98.4Very high3 Ų327.4 Ų27.42%0.01616%0.157CC..Hα-helixtrans-71.9-39-179.5-164.2144.1000110.8Y68 E69 M74 L75 L129 I155 H282 F293 I296Y68-L71 PolarHBondContact O-N 2.92Å; Y68-L71 VanDerWaalsContact O-N 3.13Å; E69-L71 VanDerWaalsContact C-N 3.33Å; E69-L71 PolarHBondContact O-N 2.89Å; L71-M74 PolarHBondContact O-N 3.03Å; L71-L75 HydrophobicContact CD2-CD1 3.59Å; L71-L75 HydrophobicContact CD2-CG 4.31Å; L71-L75 WeakPolarHBondContact O-CG 3.35Å; L71-L75 PolarHBondContact O-N 2.99Å; L71-L129 HydrophobicContact CD2-CD1 3.34Å; L71-L129 HydrophobicContact CD2-CD2 4.24Å; L71-L129 HydrophobicContact CD2-CG 4.45Å; L71-I155 HydrophobicContact CD1-CD1 4.2Å; L71-H282 HydrophobicContact CD1-CB 4.15Å; L71-F293 HydrophobicContact CB-CE1 4.27Å; L71-F293 HydrophobicContact CB-CZ 3.99Å; L71-F293 HydrophobicContact CD1-CE2 4.26Å; L71-F293 HydrophobicContact CD1-CZ 4.47Å; L71-F293 HydrophobicContact CG-CZ 4.49Å; L71-I296 HydrophobicContact CD1-CD1 3.88Å
72A98.7Very high98.4Very high0 Ų026.2 Ų26.20%015%0.147CC..Hα-helixtrans-66.3-40.4174.300000111.9W45 Y68 E69 M74 L75 M76 V82W45-A72 HydrophobicContact CD2-CB 3.45Å; W45-A72 VanDerWaalsContact CD2-CB 3.45Å; W45-A72 VanDerWaalsContact CE2-CB 3.48Å; W45-A72 HydrophobicContact CE3-CB 3.75Å; W45-A72 HydrophobicContact CG-CB 3.83Å; W45-A72 HydrophobicContact CH2-CB 4.01Å; W45-A72 HydrophobicContact CZ2-CB 3.73Å; W45-A72 HydrophobicContact CZ3-CB 4.05Å; Y68-A72 WeakPolarHBondContact O-CB 3.41Å; Y68-A72 PolarHBondContact O-N 3.3Å; E69-A72 PolarHBondContact O-N 3.23Å; A72-M74 VanDerWaalsContact C-N 3.34Å; A72-M74 PolarHBondContact O-N 2.87Å; A72-L75 PolarHBondContact O-N 3.48Å; A72-M76 VanDerWaalsContact O-CB 3.29Å; A72-M76 WeakPolarHBondContact O-CB 3.44Å; A72-M76 PolarHBondContact O-N 2.96Å; A72-V82 HydrophobicContact CB-CB 4.3Å; A72-V82 HydrophobicContact CB-CG1 3.82Å; A72-V82 HydrophobicContact CB-CG2 4.48Å; A72-V82 WeakPolarHBondContact O-CG2 3.39Å
73Q98.7Very high98.6Very high98 Ų9826.1 Ų26.146%0.45815%0.146SC..Hα-helixtrans-61.9-41.6174.1-74.7-179.712.900112E69 E70 M76 G77E69-Q73 WeakPolarHBondContact O-CB 3.41Å; E69-Q73 VanDerWaalsContact O-CG 3.31Å; E69-Q73 WeakPolarHBondContact O-CG 3.48Å; E69-Q73 PolarHBondContact O-N 2.97Å; E69-Q73 PolarHBondContact OE1-NE2 3.34Å; E70-Q73 PolarHBondContact O-N 3.44Å; Q73-M76 PolarHBondContact O-N 3.43Å; Q73-G77 PolarHBondContact O-N 3.44Å
74M98.8Very high98.6Very high32 Ų3225.7 Ų25.716%0.15814%0.144CC..Hα-helixtrans-61.3-46.8175.1-179.1-80.3-70.300111.7E70 L71 A72 G77 L78 F293 I296 N297E70-M74 PolarHBondContact O-N 2.97Å; E70-M74 VanDerWaalsContact O-N 3.07Å; L71-M74 PolarHBondContact O-N 3.03Å; A72-M74 VanDerWaalsContact C-N 3.34Å; A72-M74 PolarHBondContact O-N 2.87Å; M74-G77 PolarHBondContact O-N 3.23Å; M74-G77 VanDerWaalsContact O-N 3.17Å; M74-L78 PolarHBondContact O-N 2.93Å; M74-L78 HydrophobicContact SD-CD1 4.1Å; M74-F293 HydrophobicContact CB-CD1 4.23Å; M74-F293 HydrophobicContact CB-CE1 4.49Å; M74-F293 HydrophobicContact CG-CD1 4.36Å; M74-I296 HydrophobicContact CE-CB 4.16Å; M74-I296 HydrophobicContact CE-CG2 3.89Å; M74-N297 HydrophobicContact CE-CB 4.23Å; M74-N297 HydrophobicContact SD-CB 3.64Å; M74-N297 PolarHBondContact SD-ND2 3.39Å; M74-N297 VanDerWaalsContact SD-ND2 3.4Å
75L98.8Very high98.6Very high0 Ų025.3 Ų25.30%014%0.142CC..Hα-helixtrans-65.6-38.7177.8-70.8168000112.5I55 L71 A72 G77 L78 L80 V82 L129 I296 V300I55-L75 HydrophobicContact CD1-CD1 4Å; I55-L75 HydrophobicContact CD1-CD2 4.31Å; I55-L75 HydrophobicContact CG2-CD1 4.13Å; L71-L75 HydrophobicContact CD2-CD1 3.59Å; L71-L75 HydrophobicContact CD2-CG 4.31Å; L71-L75 WeakPolarHBondContact O-CG 3.35Å; L71-L75 PolarHBondContact O-N 2.99Å; A72-L75 PolarHBondContact O-N 3.48Å; L75-G77 PolarHBondContact O-N 3.45Å; L75-L78 WeakPolarHBondContact O-CB 3.46Å; L75-L78 PolarHBondContact O-N 3.43Å; L75-L80 PolarHBondContact O-N 2.85Å; L75-V82 HydrophobicContact CB-CG2 3.59Å; L75-V82 HydrophobicContact CD1-CG2 4.41Å; L75-L129 HydrophobicContact CD1-CD1 4.22Å; L75-I296 HydrophobicContact CD2-CG2 4.09Å; L75-V300 HydrophobicContact CD2-CB 4.47Å; L75-V300 HydrophobicContact CD2-CG1 4.29Å; L75-V300 HydrophobicContact CD2-CG2 4.16Å
76M98.5Very high98.6Very high57 Ų5725.3 Ų25.328%0.28114%0.142SC..Hα-helixtrans-61-37172.9-178.3-169.866.300111.2W45 P47 A72 Q73 L78 D79 L80 V82W45-M76 HydrophobicContact CB-CB 4.27Å; W45-M76 HydrophobicContact CB-CG 4.45Å; W45-M76 HydrophobicContact CB-SD 3.97Å; P47-M76 HydrophobicContact CB-CG 4.22Å; A72-M76 VanDerWaalsContact O-CB 3.29Å; A72-M76 WeakPolarHBondContact O-CB 3.44Å; A72-M76 PolarHBondContact O-N 2.96Å; Q73-M76 PolarHBondContact O-N 3.43Å; M76-L78 PolarHBondContact O-N 2.88Å; M76-D79 WeakPolarHBondContact O-CA 3.5Å; M76-D79 PolarHBondContact O-N 2.62Å; M76-L80 WeakPolarHBondContact CA-O 3.21Å; M76-V82 HydrophobicContact CB-CG2 4.49Å
77G98Very high98.7Very high60 Ų6024.6 Ų24.662%0.61913%0.134SC*.THydrogen-bonded Turntrans-64.7-12.317300000114.8Q73 M74 L75 D79Q73-G77 PolarHBondContact O-N 3.44Å; M74-G77 PolarHBondContact O-N 3.23Å; M74-G77 VanDerWaalsContact O-N 3.17Å; L75-G77 PolarHBondContact O-N 3.45Å; G77-D79 VanDerWaalsContact C-N 3.33Å
78L97.8Very high98.7Very high28 Ų2823.9 Ų23.915%0.14713%0.132CC..THydrogen-bonded Turntrans-93.611.8170.5-61.9178.2000112.9M74 L75 M76 L80 N297 V300 S301M74-L78 PolarHBondContact O-N 2.93Å; M74-L78 HydrophobicContact SD-CD1 4.1Å; L75-L78 WeakPolarHBondContact O-CB 3.46Å; L75-L78 PolarHBondContact O-N 3.43Å; M76-L78 PolarHBondContact O-N 2.88Å; L78-L80 VanDerWaalsContact C-N 3.35Å; L78-L80 HydrophobicContact CB-CD1 3.64Å; L78-L80 WeakPolarHBondContact O-CD1 3.23Å; L78-N297 HydrophobicContact CD1-CB 4.42Å; L78-V300 HydrophobicContact CD1-CG1 4.43Å; L78-S301 WeakPolarHBondContact CD1-OG 3.4Å; L78-S301 WeakPolarHBondContact CD2-OG 3.41Å
79D98.2Very high98.6Very high58 Ų5823.8 Ų23.831%0.3113%0.132SC..THydrogen-bonded Turntrans63.431.7-173.2-52.2-55.5000114P51 K52 M76 G77P51-D79 CarbonylContact C-O 3.38Å; P51-D79 VanDerWaalsContact CA-O 3.27Å; P51-D79 WeakPolarHBondContact CA-O 3.27Å; K52-D79 HydrophobicContact CD-CB 3.97Å; K52-D79 WeakPolarHBondContact CE-OD2 3.41Å; K52-D79 HydrophobicContact CG-CB 4.02Å; K52-D79 PolarHBondContact N-O 3.42Å; K52-D79 IonicContact NZ-OD2 3.13Å; K52-D79 PolarHBondContact NZ-OD2 2.98Å; M76-D79 WeakPolarHBondContact O-CA 3.5Å; M76-D79 PolarHBondContact O-N 2.62Å; G77-D79 VanDerWaalsContact C-N 3.33Å
80L98.7Very high98.7Very high0 Ų021.4 Ų21.40%012%0.12CC..EExtended strand (participates in β ladder)trans-92.5141.6168.7-75.175000110.2P47 A53 I55 L75 M76 L78 V82 V300 T304P47-L80 WeakPolarHBondContact CD-O 3.38Å; A53-L80 HydrophobicContact CB-CD2 4.26Å; A53-L80 HydrophobicContact CB-CG 4.07Å; A53-L80 WeakPolarHBondContact O-CA 3.21Å; I55-L80 HydrophobicContact CB-CD2 4.03Å; I55-L80 HydrophobicContact CG2-CB 4.12Å; I55-L80 HydrophobicContact CG2-CD2 3.81Å; L75-L80 PolarHBondContact O-N 2.85Å; M76-L80 WeakPolarHBondContact CA-O 3.21Å; L78-L80 VanDerWaalsContact C-N 3.35Å; L78-L80 HydrophobicContact CB-CD1 3.64Å; L78-L80 WeakPolarHBondContact O-CD1 3.23Å; L80-V82 PolarHBondContact O-N 2.97Å; L80-V300 HydrophobicContact CD1-CG1 4.1Å; L80-V300 HydrophobicContact CD2-CG1 3.61Å; L80-T304 HydrophobicContact CD1-CG2 4.14Å; L80-T304 HydrophobicContact CD2-CG2 4.4Å; L80-T304 HydrophobicContact CG-CG2 4.47Å
81L98.8Very high98.7Very high3 Ų316.7 Ų16.72%0.01610%0.099CC..EExtended strand (participates in β ladder)trans-82.2110.3163.2-171.4166.2000107.7K46 P51 A53 L54 I55 F83 M117 Y121K46-L81 HydrophobicContact CG-CD1 4.38Å; P51-L81 HydrophobicContact CB-CB 3.89Å; P51-L81 HydrophobicContact CG-CB 3.79Å; P51-L81 HydrophobicContact CG-CD1 4.22Å; A53-L81 PolarHBondContact O-N 3.05Å; L54-L81 WeakPolarHBondContact CA-O 3.2Å; L54-L81 HydrophobicContact CD2-CB 3.77Å; L54-L81 HydrophobicContact CD2-CD1 4.24Å; L54-L81 HydrophobicContact CD2-CD2 4.44Å; L54-L81 HydrophobicContact CD2-CG 4.37Å; I55-L81 PolarHBondContact N-O 3.31Å; L81-F83 HydrophobicContact CD2-CB 4.01Å; L81-F83 HydrophobicContact CD2-CD1 4.14Å; L81-F83 HydrophobicContact CD2-CG 4.45Å; L81-M117 HydrophobicContact CD1-CE 3.84Å; L81-M117 HydrophobicContact CD2-CE 3.45Å; L81-M117 VanDerWaalsContact CD2-CE 3.45Å; L81-M117 HydrophobicContact CG-CE 4.33Å; L81-Y121 HydrophobicContact CD1-CD2 4.12Å; L81-Y121 HydrophobicContact CD1-CE1 3.87Å; L81-Y121 HydrophobicContact CD1-CE2 3.44Å; L81-Y121 VanDerWaalsContact CD1-CE2 3.44Å; L81-Y121 WeakPolarHBondContact CD1-OH 3.23Å
82V98.9Very high98.7Very high0 Ų017.5 Ų17.50%010%0.102CC..EExtended strand (participates in β ladder)trans-90.2132.4175.7-169.70000108.7Y44 W45 I55 V57 A72 L75 M76 L80Y44-V82 WeakPolarHBondContact CA-O 3.37Å; W45-V82 HydrophobicContact CB-CB 4.15Å; W45-V82 HydrophobicContact CE3-CB 3.99Å; W45-V82 HydrophobicContact CE3-CG1 3.85Å; W45-V82 HydrophobicContact CZ3-CG1 4.18Å; W45-V82 PolarHBondContact N-O 2.77Å; W45-V82 PolarHBondContact O-N 2.96Å; I55-V82 HydrophobicContact CG2-CB 4.09Å; I55-V82 HydrophobicContact CG2-CG1 4.09Å; I55-V82 HydrophobicContact CG2-CG2 3.7Å; I55-V82 WeakPolarHBondContact O-CA 3.2Å; V57-V82 HydrophobicContact CG2-CG1 3.56Å; A72-V82 HydrophobicContact CB-CB 4.3Å; A72-V82 HydrophobicContact CB-CG1 3.82Å; A72-V82 HydrophobicContact CB-CG2 4.48Å; A72-V82 WeakPolarHBondContact O-CG2 3.39Å; L75-V82 HydrophobicContact CB-CG2 3.59Å; L75-V82 HydrophobicContact CD1-CG2 4.41Å; M76-V82 HydrophobicContact CB-CG2 4.49Å; L80-V82 PolarHBondContact O-N 2.97Å
83F98.9Very high98.7Very high0 Ų017.5 Ų17.50%010%0.102CC..EExtended strand (participates in β ladder)trans-138.8150176.767.5-72.4000110.6R43 Y44 L54 I55 F56 V57 L81 H113 V114 M117R43-F83 CarbonylContact O-C 3.5Å; R43-F83 WeakPolarHBondContact O-CA 3.47Å; Y44-F83 HydrophobicContact CD1-CB 3.56Å; Y44-F83 HydrophobicContact CE1-CB 3.83Å; L54-F83 HydrophobicContact CB-CD1 4.42Å; L54-F83 HydrophobicContact CB-CE1 3.81Å; I55-F83 VanDerWaalsContact O-CD1 3.32Å; I55-F83 WeakPolarHBondContact O-CD1 3.5Å; I55-F83 PolarHBondContact O-N 2.73Å; F56-F83 CarbonylContact C-O 3.45Å; F56-F83 VanDerWaalsContact CA-O 3.27Å; F56-F83 WeakPolarHBondContact CA-O 3.34Å; F56-F83 HydrophobicContact CB-CE1 4.02Å; F56-F83 HydrophobicContact CB-CE2 4Å; F56-F83 HydrophobicContact CB-CZ 3.69Å; F56-F83 AromaticContact CD2-CD2 3.68Å; F56-F83 HydrophobicContact CD2-CD2 3.68Å; F56-F83 AromaticContact CD2-CE2 3.52Å; F56-F83 HydrophobicContact CD2-CE2 3.52Å; F56-F83 HydrophobicContact CD2-CG 4.44Å; F56-F83 HydrophobicContact CD2-CZ 4.14Å; F56-F83 HydrophobicContact CE2-CD2 4.47Å; F56-F83 HydrophobicContact CE2-CE2 4.49Å; F56-F83 HydrophobicContact CG-CE2 4.21Å; F56-F83 HydrophobicContact CG-CZ 4.39Å; V57-F83 PolarHBondContact N-O 2.79Å; L81-F83 HydrophobicContact CD2-CB 4.01Å; L81-F83 HydrophobicContact CD2-CD1 4.14Å; L81-F83 HydrophobicContact CD2-CG 4.45Å; F83-H113 AromaticContact CD2-CD2 3.85Å; F83-H113 AromaticContact CD2-CE1 3.88Å; F83-H113 AromaticContact CD2-NE2 3.76Å; F83-V114 HydrophobicContact CE2-CG2 4.21Å; F83-V114 HydrophobicContact CZ-CG2 3.97Å; F83-M117 HydrophobicContact CD1-CG 4.44Å; F83-M117 HydrophobicContact CD2-CB 4.46Å; F83-M117 HydrophobicContact CD2-CG 3.59Å; F83-M117 HydrophobicContact CE2-CB 4.1Å; F83-M117 HydrophobicContact CE2-CG 3.64Å; F83-M117 HydrophobicContact CG-CG 4.01Å; F83-M117 HydrophobicContact CZ-CB 4.13Å; F83-M117 HydrophobicContact CZ-CG 4.13Å
84A98.9Very high98.7Very high0 Ų014.2 Ų14.20%09%0.087CC..EExtended strand (participates in β ladder)trans-152.7162.2-178.400000110C42 R43 W45 V57 C65 H113C42-A84 CarbonylContact C-O 3.59Å; C42-A84 WeakPolarHBondContact CA-O 3.29Å; R43-A84 PolarHBondContact N-O 2.75Å; R43-A84 PolarHBondContact O-N 2.71Å; W45-A84 HydrophobicContact CZ3-CB 4.07Å; V57-A84 HydrophobicContact CB-CB 4.15Å; V57-A84 WeakPolarHBondContact O-CB 3.43Å; C65-A84 HydrophobicContact CB-CB 3.7Å; A84-H113 PolarHBondContact O-CE1 3.12Å
85H98.9Very high98.6Very high0 Ų014 Ų140%09%0.094CC..EExtended strand (participates in β ladder)trans-131.8159.816055.5-128.5000110.1L40 F41 F56 H59 H87 D109 H113L40-H85 HydrophobicContact CB-CB 4.35Å; F41-H85 CarbonylContact O-C 3.58Å; F41-H85 WeakPolarHBondContact O-CA 3.41Å; F41-H85 WeakPolarHBondContact O-CB 3.38Å; F56-H85 AromaticContact CE2-CE1 3.9Å; F56-H85 AromaticContact CE2-ND1 3.9Å; F56-H85 AromaticContact CZ-CE1 3.72Å; F56-H85 AromaticContact CZ-NE2 3.66Å; H59-H85 PolarHBondContact CD2-O 3.35Å; H85-H87 AromaticContact CD2-ND1 3.8Å; H85-H87 AromaticContact NE2-CE1 3.88Å; H85-H87 AromaticContact NE2-ND1 3.55Å; H85-D109 PolarHBondContact CE1-O 2.99Å; H85-H113 AromaticContact CG-ND1 3.81Å; H85-H113 AromaticContact ND1-CG 3.75Å; H85-H113 AromaticContact ND1-ND1 3.08Å; H85-H113 PolarHBondContact ND1-ND1 3.25Å
86D98.9Very high98.6Very high0 Ų019 Ų190%012%0.117CC..PPolyproline II helixtrans-73.3124162.3-69.5-13.8000107.6F41 H59 H64 C65 G91 Q92 S93F41-D86 HydrophobicContact CB-CB 4.41Å; F41-D86 WeakPolarHBondContact CD1-OD2 3.42Å; F41-D86 PolarHBondContact O-N 2.61Å; H59-D86 WeakPolarHBondContact NE2-CA 3.39Å; H64-D86 WeakPolarHBondContact CB-OD1 3.44Å; C65-D86 WeakPolarHBondContact CB-OD1 3.45Å; C65-D86 PolarHBondContact N-OD1 3.04Å; C65-D86 PolarHBondContact SG-OD1 3.19Å; D86-G91 WeakPolarHBondContact OD2-CA 3.37Å; D86-Q92 PolarHBondContact OD2-N 2.8Å; D86-S93 VanDerWaalsContact CB-OG 3.23Å; D86-S93 WeakPolarHBondContact CB-OG 3.29Å; D86-S93 WeakPolarHBondContact O-CB 3.34Å; D86-S93 PolarHBondContact O-OG 3.42Å
87H98.9Very high98.6Very high1 Ų119.6 Ų19.61%0.00512%0.116CC..PPolyproline II helixtrans-56.8152.1175.2-70-50.3000110.3S58 H59 H85 G89 H90 F106S58-H87 PolarHBondContact OG-NE2 2.93Å; S58-H87 VanDerWaalsContact OG-NE2 3.15Å; H59-H87 AromaticContact CD2-CD2 3.65Å; H59-H87 AromaticContact CE1-CD2 3.47Å; H59-H87 PolarHBondContact CE1-CD2 2.87Å; H59-H87 VanDerWaalsContact CE1-CD2 3.47Å; H59-H87 AromaticContact CE1-CG 3.97Å; H59-H87 AromaticContact CG-CD2 3.9Å; H59-H87 AromaticContact ND1-CD2 3.78Å; H59-H87 AromaticContact NE2-CD2 3.39Å; H59-H87 PolarHBondContact NE2-CD2 2.8Å; H59-H87 AromaticContact NE2-CG 3.67Å; H59-H87 PolarHBondContact NE2-N 2.81Å; H59-H87 PolarHBondContact O-CD2 2.91Å; H59-H87 PolarHBondContact O-NE2 2.63Å; H85-H87 AromaticContact CD2-ND1 3.8Å; H85-H87 AromaticContact NE2-CE1 3.88Å; H85-H87 AromaticContact NE2-ND1 3.55Å; H87-G89 PolarHBondContact O-N 3.42Å; H87-H90 VanDerWaalsContact O-CB 3.27Å; H87-H90 WeakPolarHBondContact O-CB 3.39Å; H87-H90 PolarHBondContact O-N 3.11Å; H87-F106 HydrophobicContact CB-CD1 3.74Å; H87-F106 HydrophobicContact CB-CE1 3.76Å
88V98.8Very high98.5Very high5 Ų517.4 Ų17.43%0.039%0.09CC..THydrogen-bonded Turntrans-51.9137.617664.40000110.9Q38 L40 H90 V100 V105 F106Q38-V88 VanDerWaalsContact OE1-CG2 3.31Å; L40-V88 HydrophobicContact CD2-CB 4.09Å; V88-H90 VanDerWaalsContact C-N 3.28Å; V88-H90 PolarHBondContact O-N 3.11Å; V88-H90 PolarHBondContact O-ND1 3.28Å; V88-V100 HydrophobicContact CG1-CG2 4.09Å; V88-V105 HydrophobicContact CG1-CG1 3.78Å; V88-F106 HydrophobicContact CG1-CD1 3.96Å; V88-F106 HydrophobicContact CG1-CE1 3.48Å; V88-F106 VanDerWaalsContact CG1-CE1 3.48Å; V88-F106 HydrophobicContact CG1-CZ 4.35Å
89G98.5Very high98.4Very high0 Ų017.4 Ų17.40%09%0.091CC..THydrogen-bonded Turntrans76.39.1-176.500000114.8H87 E94 E96 R97 M98H87-G89 PolarHBondContact O-N 3.42Å; G89-E94 PolarHBondContact N-O 3.41Å; G89-E96 VanDerWaalsContact CA-O 3.25Å; G89-E96 WeakPolarHBondContact CA-O 3.41Å; G89-R97 VanDerWaalsContact C-CZ 3.44Å; G89-R97 WeakPolarHBondContact O-CA 3.45Å; G89-R97 PolarHBondContact O-NE 3.28Å; G89-M98 PolarHBondContact O-N 3.49Å
90H98.8Very high98.4Very high3 Ų315.2 Ų15.21%0.0148%0.08CC..SBendtrans-125.1159.1-179.1-63.274.7000112.5H59 G62 E63 H87 V88 Q92 S93 R97H59-H90 AromaticContact CE1-CD2 3.83Å; H59-H90 AromaticContact CE1-CG 3.69Å; G62-H90 PolarHBondContact N-CD2 2.9Å; G62-H90 PolarHBondContact N-NE2 2.92Å; E63-H90 PolarHBondContact O-CD2 2.85Å; H87-H90 VanDerWaalsContact O-CB 3.27Å; H87-H90 WeakPolarHBondContact O-CB 3.39Å; H87-H90 PolarHBondContact O-N 3.11Å; V88-H90 VanDerWaalsContact C-N 3.28Å; V88-H90 PolarHBondContact O-N 3.11Å; V88-H90 PolarHBondContact O-ND1 3.28Å; H90-Q92 PolarHBondContact O-N 3.01Å; H90-S93 WeakPolarHBondContact O-CB 3.38Å; H90-S93 PolarHBondContact O-N 3.41Å; H90-R97 PolarHBondContact O-NH1 2.99Å; H90-R97 VanDerWaalsContact O-NH1 3.13Å
91G98.6Very high98.2Very high2 Ų219.9 Ų19.92%0.02111%0.112CC..THydrogen-bonded Turntrans42.3-120.1174.500000114.4Q22 D86 R97Q22-G91 PolarHBondContact NE2-O 2.85Å; D86-G91 WeakPolarHBondContact OD2-CA 3.37Å; G91-R97 PolarHBondContact O-NH1 3.47Å
92Q98.8Very high98.2Very high20 Ų2022 Ų229%0.09312%0.124CC..THydrogen-bonded Turntrans-94.4-6.4-178.8-64.3178.399.600113.8T20 P21 Y26 F41 D86 H90 L209T20-Q92 VanDerWaalsContact CB-O 3.31Å; T20-Q92 WeakPolarHBondContact CB-O 3.33Å; T20-Q92 HydrophobicContact CG2-CB 4.06Å; T20-Q92 WeakPolarHBondContact CG2-O 3.5Å; P21-Q92 VanDerWaalsContact CD-O 3.24Å; P21-Q92 WeakPolarHBondContact CD-O 3.48Å; Y26-Q92 PolarHBondContact OH-O 3.02Å; F41-Q92 HydrophobicContact CB-CB 3.65Å; F41-Q92 HydrophobicContact CD1-CB 4.21Å; F41-Q92 HydrophobicContact CD2-CB 4.11Å; F41-Q92 VanDerWaalsContact CE2-NE2 3.33Å; F41-Q92 HydrophobicContact CG-CB 3.71Å; D86-Q92 PolarHBondContact OD2-N 2.8Å; H90-Q92 PolarHBondContact O-N 3.01Å; Q92-L209 HydrophobicContact CG-CD1 4.08Å; Q92-L209 HydrophobicContact CG-CD2 3.79Å
93S98.9Very high98.2Very high0 Ų022 Ų220%012%0.124CC..SBendtrans-71158.6175.3-70.20000112.3P21 Y26 L40 F41 D86 H90 R97P21-S93 WeakPolarHBondContact CD-O 3.33Å; P21-S93 VanDerWaalsContact CG-O 3.27Å; P21-S93 WeakPolarHBondContact CG-O 3.36Å; Y26-S93 VanDerWaalsContact OH-CA 3.24Å; Y26-S93 WeakPolarHBondContact OH-CA 3.12Å; L40-S93 WeakPolarHBondContact CA-OG 3.4Å; F41-S93 PolarHBondContact N-OG 2.65Å; D86-S93 VanDerWaalsContact CB-OG 3.23Å; D86-S93 WeakPolarHBondContact CB-OG 3.29Å; D86-S93 WeakPolarHBondContact O-CB 3.34Å; D86-S93 PolarHBondContact O-OG 3.42Å; H90-S93 WeakPolarHBondContact O-CB 3.38Å; H90-S93 PolarHBondContact O-N 3.41Å; S93-R97 PolarHBondContact O-NH1 2.97Å; S93-R97 PolarHBondContact O-NH2 2.97Å
94E98.8Very high98.2Very high30 Ų3025.7 Ų25.714%0.1414%0.14CC..  trans-71.6178.6173.2-76-177.9154.300112.8R18 Y26 Q38 Y39 G89 R97R18-E94 IonicContact CZ-OE1 3.72Å; R18-E94 VanDerWaalsContact CZ-OE1 3.32Å; R18-E94 IonicContact CZ-OE2 3.06Å; R18-E94 IonicContact NE-OE1 3.3Å; R18-E94 PolarHBondContact NE-OE1 3.3Å; R18-E94 IonicContact NE-OE2 3.67Å; R18-E94 VanDerWaalsContact NH2-CD 3.25Å; R18-E94 IonicContact NH2-OE1 2.85Å; R18-E94 PolarHBondContact NH2-OE1 3.49Å; R18-E94 VanDerWaalsContact NH2-OE1 3.11Å; R18-E94 IonicContact NH2-OE2 3.74Å; R18-E94 PolarHBondContact NH2-OE2 3.39Å; Y26-E94 HydrophobicContact CE2-CG 3.8Å; Y26-E94 PolarHBondContact OH-N 3.08Å; Q38-E94 WeakPolarHBondContact CA-OE2 3.32Å; Q38-E94 HydrophobicContact CB-CB 4.32Å; Y39-E94 PolarHBondContact N-OE2 2.95Å; Y39-E94 PolarHBondContact O-N 3.08Å; G89-E94 PolarHBondContact N-O 3.41Å; E94-R97 PolarHBondContact O-NH2 3.07Å
95G98.1Very high98.2Very high28 Ų2826.1 Ų26.129%0.28914%0.143SC..SBendtrans100.6155.1-179.400000112.9R97G95-R97 PolarHBondContact O-N 3.32Å; G95-R97 PolarHBondContact O-NE 2.97Å; G95-R97 PolarHBondContact O-NH2 3.26Å
96E97.6Very high98.2Very high105 Ų10526.1 Ų26.149%0.49114%0.143SC..SBendtrans-61.4136.7174.2-175.9177.7169.600110.2G89 M98 V99 K216G89-E96 VanDerWaalsContact CA-O 3.25Å; G89-E96 WeakPolarHBondContact CA-O 3.41Å; E96-M98 PolarHBondContact O-N 3.32Å; E96-V99 HydrophobicContact CB-CB 4.14Å; E96-V99 HydrophobicContact CB-CG2 4.42Å; E96-V99 HydrophobicContact CG-CB 4.24Å; E96-V99 HydrophobicContact CG-CG2 3.96Å; E96-V99 PolarHBondContact O-N 2.92Å; E96-K216 IonicContact OE1-NZ 2.95Å; E96-K216 PolarHBondContact OE1-NZ 3.06Å
97R97.6Very high98.2Very high68 Ų6826.3 Ų26.326%0.25714%0.144SC..THydrogen-bonded Turntrans-59.6126.2-172.6-63.9-59.785.7175.90.2111.6G89 H90 G91 S93 E94 G95 V99G89-R97 VanDerWaalsContact C-CZ 3.44Å; G89-R97 WeakPolarHBondContact O-CA 3.45Å; G89-R97 PolarHBondContact O-NE 3.28Å; H90-R97 PolarHBondContact O-NH1 2.99Å; H90-R97 VanDerWaalsContact O-NH1 3.13Å; G91-R97 PolarHBondContact O-NH1 3.47Å; S93-R97 PolarHBondContact O-NH1 2.97Å; S93-R97 PolarHBondContact O-NH2 2.97Å; E94-R97 PolarHBondContact O-NH2 3.07Å; G95-R97 PolarHBondContact O-N 3.32Å; G95-R97 PolarHBondContact O-NE 2.97Å; G95-R97 PolarHBondContact O-NH2 3.26Å; R97-V99 VanDerWaalsContact C-N 3.26Å; R97-V99 PolarHBondContact O-N 3.2Å
98M96.1Very high98.2Very high14 Ų1429.3 Ų29.37%0.06916%0.155CC..THydrogen-bonded Turntrans47.645.8-178.3-64.2-173.869.100113.2A61 G62 G89 E96 C211 L215 F219A61-M98 HydrophobicContact CB-CE 4.13Å; G62-M98 VanDerWaalsContact CA-SD 3.6Å; G89-M98 PolarHBondContact O-N 3.49Å; E96-M98 PolarHBondContact O-N 3.32Å; M98-C211 HydrophobicContact CG-CB 3.79Å; M98-C211 HydrophobicContact SD-CB 3.68Å; M98-L215 HydrophobicContact CE-CD1 3.9Å; M98-F219 HydrophobicContact CB-CD1 4.25Å; M98-F219 HydrophobicContact CB-CE1 4.37Å; M98-F219 HydrophobicContact CE-CD1 4Å; M98-F219 HydrophobicContact CE-CE1 3.68Å; M98-F219 WeakPolarHBondContact O-CB 3.3Å; M98-F219 WeakPolarHBondContact O-CD2 3.35Å; M98-F219 WeakPolarHBondContact O-CG 3.46Å
99V96.3Very high98.2Very high28 Ų2829.1 Ų29.117%0.1716%0.155CC..  trans-132.7141.1171.5177.30000108.4E96 R97 K216E96-V99 HydrophobicContact CB-CB 4.14Å; E96-V99 HydrophobicContact CB-CG2 4.42Å; E96-V99 HydrophobicContact CG-CB 4.24Å; E96-V99 HydrophobicContact CG-CG2 3.96Å; E96-V99 PolarHBondContact O-N 2.92Å; R97-V99 VanDerWaalsContact C-N 3.26Å; R97-V99 PolarHBondContact O-N 3.2Å; V99-K216 HydrophobicContact CG2-CD 3.53Å
100V97.8Very high98.2Very high13 Ų1329.2 Ų29.28%0.07916%0.155CC..  trans-143.4144.717472.60000109V88 D102 V105 F106 F219 Q222V88-V100 HydrophobicContact CG1-CG2 4.09Å; V100-D102 WeakPolarHBondContact CG2-O 3.47Å; V100-V105 HydrophobicContact CG2-CB 3.66Å; V100-V105 HydrophobicContact CG2-CG1 4.03Å; V100-V105 HydrophobicContact CG2-CG2 4.13Å; V100-F106 HydrophobicContact CB-CE1 4.45Å; V100-F106 HydrophobicContact CB-CE2 3.94Å; V100-F106 HydrophobicContact CB-CZ 3.69Å; V100-F106 HydrophobicContact CG1-CE2 3.68Å; V100-F106 HydrophobicContact CG1-CZ 3.94Å; V100-F106 HydrophobicContact CG2-CE1 4.22Å; V100-F106 HydrophobicContact CG2-CE2 4.04Å; V100-F106 HydrophobicContact CG2-CZ 3.86Å; V100-F219 HydrophobicContact CG1-CD2 4.08Å; V100-F219 HydrophobicContact CG1-CE2 4.05Å; V100-Q222 HydrophobicContact CG1-CB 3.9Å; V100-Q222 HydrophobicContact CG1-CG 3.77Å
101S95.9Very high98.2Very high97 Ų9729.4 Ų29.468%0.67816%0.156SC*.SBendtrans-65.3-47.5179.651.20000111.7V105 Q222S101-V105 WeakPolarHBondContact OG-CG2 3.42Å; S101-Q222 PolarHBondContact O-NE2 3.34Å
102D98.1Very high98.2Very high49 Ų4932.4 Ų32.426%0.26217%0.17SC..  trans-145.3143.1171.8-177-95.5000109.7V100 H104 V105 R229V100-D102 WeakPolarHBondContact CG2-O 3.47Å; D102-H104 PolarHBondContact O-N 2.85Å; D102-H104 WeakPolarHBondContact OD1-CB 3.38Å; D102-H104 PolarHBondContact OD1-N 3.39Å; D102-V105 WeakPolarHBondContact O-CB 3.27Å; D102-V105 WeakPolarHBondContact O-CG2 3.33Å; D102-V105 PolarHBondContact O-N 3.38Å; D102-R229 IonicContact OD1-CZ 3.18Å; D102-R229 VanDerWaalsContact OD1-CZ 3.3Å; D102-R229 IonicContact OD1-NH1 3.92Å; D102-R229 PolarHBondContact OD1-NH1 2.97Å; D102-R229 IonicContact OD1-NH2 2.85Å; D102-R229 PolarHBondContact OD1-NH2 3.47Å; D102-R229 IonicContact OD2-CZ 3.72Å; D102-R229 IonicContact OD2-NH1 3.54Å; D102-R229 IonicContact OD2-NH2 2.69Å; D102-R229 PolarHBondContact OD2-NH2 2.97Å
103F98.6Very high98.2Very high0 Ų031.6 Ų31.60%017%0.166CC..THydrogen-bonded Turntrans-56.1-24.4-179-163.8-94.1000113.9V105 F106 M133 A136 I137 L140 Q222 L223 A226F103-V105 PolarHBondContact O-N 3.08Å; F103-F106 AromaticContact CD2-CD2 3.89Å; F103-F106 HydrophobicContact CD2-CD2 3.89Å; F103-F106 HydrophobicContact CD2-CE2 4.05Å; F103-F106 AromaticContact CE2-CD2 3.93Å; F103-F106 HydrophobicContact CE2-CD2 3.93Å; F103-F106 HydrophobicContact CE2-CE2 4.15Å; F103-F106 HydrophobicContact CG-CD2 4.29Å; F103-F106 HydrophobicContact CZ-CD2 4.36Å; F103-F106 PolarHBondContact O-N 3.37Å; F103-M133 HydrophobicContact CE2-CG 3.7Å; F103-M133 HydrophobicContact CE2-SD 4.04Å; F103-M133 HydrophobicContact CZ-CG 3.78Å; F103-A136 HydrophobicContact CE1-CB 4.5Å; F103-A136 HydrophobicContact CZ-CB 4.32Å; F103-I137 HydrophobicContact CE1-CG1 3.74Å; F103-I137 HydrophobicContact CZ-CD1 4.27Å; F103-I137 HydrophobicContact CZ-CG1 3.63Å; F103-L140 HydrophobicContact CD1-CD1 3.89Å; F103-L140 HydrophobicContact CE1-CD1 3.86Å; F103-Q222 HydrophobicContact CB-CB 4.4Å; F103-Q222 HydrophobicContact CD2-CB 4.41Å; F103-Q222 WeakPolarHBondContact CD2-O 3.39Å; F103-L223 HydrophobicContact CE2-CD2 4.18Å; F103-A226 HydrophobicContact CD1-CB 3.58Å; F103-A226 HydrophobicContact CD2-CB 3.72Å; F103-A226 HydrophobicContact CE1-CB 3.45Å; F103-A226 VanDerWaalsContact CE1-CB 3.45Å; F103-A226 HydrophobicContact CE2-CB 3.59Å; F103-A226 HydrophobicContact CG-CB 3.71Å; F103-A226 HydrophobicContact CZ-CB 3.44Å; F103-A226 VanDerWaalsContact CZ-CB 3.44Å
104H98.7Very high98.2Very high76 Ų7631.6 Ų31.635%0.35217%0.166SC..Hα-helixtrans-65.6-22.2178.1-164.7-40.8000112.3D102 F106 V107 R108 E144 R229D102-H104 PolarHBondContact O-N 2.85Å; D102-H104 WeakPolarHBondContact OD1-CB 3.38Å; D102-H104 PolarHBondContact OD1-N 3.39Å; H104-F106 PolarHBondContact O-N 2.98Å; H104-V107 PolarHBondContact O-N 2.79Å; H104-R108 WeakPolarHBondContact O-CB 3.4Å; H104-R108 PolarHBondContact O-N 2.9Å; H104-E144 IonicContact CE1-OE1 2.72Å; H104-E144 IonicContact CE1-OE2 3.33Å; H104-E144 PolarHBondContact CE1-OE2 3.39Å; H104-E144 IonicContact NE2-OE1 3.92Å; H104-E144 IonicContact NE2-OE2 3.32Å; H104-E144 PolarHBondContact NE2-OE2 3.11Å; H104-R229 VanDerWaalsContact N-NH1 3.14Å
105V98.9Very high98.2Very high10 Ų1033.1 Ų33.16%0.06118%0.175CC..Hα-helixtrans-53-43.5175.2169.20000110.7V88 V100 S101 D102 F103 V107 R108 D109V88-V105 HydrophobicContact CG1-CG1 3.78Å; V100-V105 HydrophobicContact CG2-CB 3.66Å; V100-V105 HydrophobicContact CG2-CG1 4.03Å; V100-V105 HydrophobicContact CG2-CG2 4.13Å; S101-V105 WeakPolarHBondContact OG-CG2 3.42Å; D102-V105 WeakPolarHBondContact O-CB 3.27Å; D102-V105 WeakPolarHBondContact O-CG2 3.33Å; D102-V105 PolarHBondContact O-N 3.38Å; F103-V105 PolarHBondContact O-N 3.08Å; V105-V107 PolarHBondContact O-N 3.06Å; V105-R108 PolarHBondContact O-N 2.81Å; V105-D109 WeakPolarHBondContact O-CB 3.3Å; V105-D109 PolarHBondContact O-N 3.36Å
106F98.9Very high98.3Very high0 Ų034.9 Ų34.90%018%0.183CC..Hα-helixtrans-61.6-46176-57.8-53.1000112.5H87 V88 V100 F103 H104 R108 D109 V110 M133 I137 F219H87-F106 HydrophobicContact CB-CD1 3.74Å; H87-F106 HydrophobicContact CB-CE1 3.76Å; V88-F106 HydrophobicContact CG1-CD1 3.96Å; V88-F106 HydrophobicContact CG1-CE1 3.48Å; V88-F106 VanDerWaalsContact CG1-CE1 3.48Å; V88-F106 HydrophobicContact CG1-CZ 4.35Å; V100-F106 HydrophobicContact CB-CE1 4.45Å; V100-F106 HydrophobicContact CB-CE2 3.94Å; V100-F106 HydrophobicContact CB-CZ 3.69Å; V100-F106 HydrophobicContact CG1-CE2 3.68Å; V100-F106 HydrophobicContact CG1-CZ 3.94Å; V100-F106 HydrophobicContact CG2-CE1 4.22Å; V100-F106 HydrophobicContact CG2-CE2 4.04Å; V100-F106 HydrophobicContact CG2-CZ 3.86Å; F103-F106 AromaticContact CD2-CD2 3.89Å; F103-F106 HydrophobicContact CD2-CD2 3.89Å; F103-F106 HydrophobicContact CD2-CE2 4.05Å; F103-F106 AromaticContact CE2-CD2 3.93Å; F103-F106 HydrophobicContact CE2-CD2 3.93Å; F103-F106 HydrophobicContact CE2-CE2 4.15Å; F103-F106 HydrophobicContact CG-CD2 4.29Å; F103-F106 HydrophobicContact CZ-CD2 4.36Å; F103-F106 PolarHBondContact O-N 3.37Å; H104-F106 PolarHBondContact O-N 2.98Å; F106-R108 PolarHBondContact O-N 3.28Å; F106-D109 PolarHBondContact O-N 2.97Å; F106-V110 VanDerWaalsContact O-CG2 3.29Å; F106-V110 WeakPolarHBondContact O-CG2 3.46Å; F106-V110 PolarHBondContact O-N 3.41Å; F106-M133 HydrophobicContact CE2-CE 4.48Å; F106-M133 HydrophobicContact CE2-SD 4.3Å; F106-I137 HydrophobicContact CB-CD1 3.57Å; F106-I137 HydrophobicContact CB-CG1 3.82Å; F106-I137 HydrophobicContact CB-CG2 4.31Å; F106-I137 HydrophobicContact CD2-CD1 4.09Å; F106-I137 HydrophobicContact CG-CD1 3.88Å; F106-I137 HydrophobicContact CG-CG1 4.48Å; F106-F219 HydrophobicContact CE2-CE2 4.06Å; F106-F219 AromaticContact CZ-CE2 3.98Å; F106-F219 HydrophobicContact CZ-CE2 3.98Å
107V98.9Very high98.3Very high3 Ų330.5 Ų30.52%0.01816%0.162CC..Hα-helixtrans-62-44.8179.2177.50000111.1H104 V105 D109 V110 L111 I137 L140 E144H104-V107 PolarHBondContact O-N 2.79Å; V105-V107 PolarHBondContact O-N 3.06Å; V107-D109 PolarHBondContact O-N 2.81Å; V107-V110 PolarHBondContact O-N 3.5Å; V107-L111 HydrophobicContact CG1-CD1 4.28Å; V107-L111 WeakPolarHBondContact O-CG 3.31Å; V107-L111 PolarHBondContact O-N 3.21Å; V107-I137 HydrophobicContact CG2-CG2 4.37Å; V107-L140 HydrophobicContact CG2-CB 3.69Å; V107-L140 HydrophobicContact CG2-CD1 4.21Å; V107-E144 WeakPolarHBondContact CG1-OE2 3.49Å
108R98.9Very high98.3Very high64 Ų6429.3 Ų29.324%0.24216%0.16CC..Hα-helixtrans-59.5-47.3177.5-179.7-162.867.6-169.9-2110.8D36 H104 V105 F106 L111 Q112D36-R108 VanDerWaalsContact CG-NH2 3.32Å; D36-R108 IonicContact OD1-CZ 2.7Å; D36-R108 IonicContact OD1-NH1 3.74Å; D36-R108 PolarHBondContact OD1-NH1 2.81Å; D36-R108 IonicContact OD1-NH2 2.57Å; D36-R108 IonicContact OD2-CZ 2.77Å; D36-R108 IonicContact OD2-NH1 2.74Å; D36-R108 PolarHBondContact OD2-NH1 3.06Å; D36-R108 IonicContact OD2-NH2 3.8Å; D36-R108 PolarHBondContact OD2-NH2 3.45Å; H104-R108 WeakPolarHBondContact O-CB 3.4Å; H104-R108 PolarHBondContact O-N 2.9Å; V105-R108 PolarHBondContact O-N 2.81Å; F106-R108 PolarHBondContact O-N 3.28Å; R108-L111 PolarHBondContact O-N 3.01Å; R108-Q112 PolarHBondContact O-N 3.48Å
109D98.9Very high98.4Very high2 Ų236.8 Ų36.81%0.01119%0.192CC..Hα-helixtrans-70.3-34.9-176.2-65.61.9000111.1N34 L40 H85 V105 F106 V107 Q112 H113N34-D109 WeakPolarHBondContact CB-OD2 3.42Å; N34-D109 PolarHBondContact ND2-OD2 3.25Å; L40-D109 HydrophobicContact CD1-CB 3.89Å; H85-D109 PolarHBondContact CE1-O 2.99Å; V105-D109 WeakPolarHBondContact O-CB 3.3Å; V105-D109 PolarHBondContact O-N 3.36Å; F106-D109 PolarHBondContact O-N 2.97Å; V107-D109 PolarHBondContact O-N 2.81Å; D109-Q112 PolarHBondContact O-N 3.16Å; D109-H113 PolarHBondContact O-N 3.33Å
110V98.9Very high98.5Very high1 Ų140.6 Ų40.61%0.00621%0.211CC..Hα-helixtrans-60.9-48.1169.4171.60000111.1F56 F106 V107 Q112 H113 V114 I137 T141F56-V110 HydrophobicContact CD1-CG1 3.74Å; F56-V110 HydrophobicContact CD1-CG2 4.29Å; F56-V110 HydrophobicContact CE1-CB 4.19Å; F56-V110 HydrophobicContact CE1-CG1 3.73Å; F56-V110 HydrophobicContact CE1-CG2 3.42Å; F56-V110 VanDerWaalsContact CE1-CG2 3.42Å; F56-V110 HydrophobicContact CG-CG1 4.28Å; F56-V110 HydrophobicContact CZ-CB 4.4Å; F56-V110 HydrophobicContact CZ-CG1 4.25Å; F56-V110 HydrophobicContact CZ-CG2 3.64Å; F106-V110 VanDerWaalsContact O-CG2 3.29Å; F106-V110 WeakPolarHBondContact O-CG2 3.46Å; F106-V110 PolarHBondContact O-N 3.41Å; V107-V110 PolarHBondContact O-N 3.5Å; V110-Q112 VanDerWaalsContact C-N 3.32Å; V110-Q112 PolarHBondContact O-N 2.81Å; V110-H113 PolarHBondContact O-N 3.3Å; V110-V114 HydrophobicContact CG1-CG2 4.22Å; V110-V114 WeakPolarHBondContact O-CB 3.31Å; V110-V114 VanDerWaalsContact O-CG2 3.29Å; V110-V114 WeakPolarHBondContact O-CG2 3.48Å; V110-V114 PolarHBondContact O-N 3.25Å; V110-I137 HydrophobicContact CG2-CG2 3.75Å; V110-T141 HydrophobicContact CG1-CG2 3.9Å
111L98.9Very high98.5Very high7 Ų742.2 Ų42.24%0.03722%0.216CC..Hα-helixtrans-61.2-40.5177.7-72.7173.1000111.9V107 R108 H113 V114 D115 T141 E144 R145 F149V107-L111 HydrophobicContact CG1-CD1 4.28Å; V107-L111 WeakPolarHBondContact O-CG 3.31Å; V107-L111 PolarHBondContact O-N 3.21Å; R108-L111 PolarHBondContact O-N 3.01Å; L111-H113 VanDerWaalsContact C-N 3.34Å; L111-H113 PolarHBondContact O-N 3.08Å; L111-V114 PolarHBondContact O-N 2.95Å; L111-D115 WeakPolarHBondContact O-CB 3.39Å; L111-D115 PolarHBondContact O-N 2.89Å; L111-T141 HydrophobicContact CD2-CG2 3.63Å; L111-T141 HydrophobicContact CG-CG2 4.04Å; L111-E144 HydrophobicContact CD1-CG 4.23Å; L111-E144 WeakPolarHBondContact CD1-OE1 3.29Å; L111-R145 HydrophobicContact CD2-CG 4.12Å; L111-F149 HydrophobicContact CD2-CZ 4.17Å
112Q98.9Very high98.6Very high66 Ų6642.6 Ų42.631%0.30822%0.216SC..Hα-helixtrans-58.8-45.8174.7-180-176.6-9.800111.7V33 R108 D109 V110 D115 S116V33-Q112 PolarHBondContact O-NE2 3.04Å; R108-Q112 PolarHBondContact O-N 3.48Å; D109-Q112 PolarHBondContact O-N 3.16Å; V110-Q112 VanDerWaalsContact C-N 3.32Å; V110-Q112 PolarHBondContact O-N 2.81Å; Q112-D115 PolarHBondContact O-N 2.95Å; Q112-S116 PolarHBondContact O-N 3.4Å; Q112-S116 VanDerWaalsContact O-N 3.08Å
113H98.9Very high98.5Very high3 Ų344.3 Ų44.31%0.01425%0.246CC..Hα-helixtrans-68.1-42.5-179.9-160.4175.7000111.4L32 Y44 F56 F83 A84 H85 D109 V110 L111 S116 M117L32-H113 HydrophobicContact CD2-CB 3.73Å; Y44-H113 AromaticContact CE1-NE2 3.56Å; Y44-H113 AromaticContact CZ-NE2 3.64Å; Y44-H113 PolarHBondContact OH-NE2 3.1Å; Y44-H113 VanDerWaalsContact OH-NE2 3.08Å; F56-H113 AromaticContact CE2-ND1 3.83Å; F83-H113 AromaticContact CD2-CD2 3.85Å; F83-H113 AromaticContact CD2-CE1 3.88Å; F83-H113 AromaticContact CD2-NE2 3.76Å; A84-H113 PolarHBondContact O-CE1 3.12Å; H85-H113 AromaticContact CG-ND1 3.81Å; H85-H113 AromaticContact ND1-CG 3.75Å; H85-H113 AromaticContact ND1-ND1 3.08Å; H85-H113 PolarHBondContact ND1-ND1 3.25Å; D109-H113 PolarHBondContact O-N 3.33Å; V110-H113 PolarHBondContact O-N 3.3Å; L111-H113 VanDerWaalsContact C-N 3.34Å; L111-H113 PolarHBondContact O-N 3.08Å; H113-S116 PolarHBondContact O-N 2.98Å; H113-M117 WeakPolarHBondContact O-CG 3.23Å; H113-M117 PolarHBondContact O-N 2.96Å
114V98.9Very high98.4Very high0 Ų046.1 Ų46.10%026%0.256CS..Hα-helixtrans-58.6-48.1174.4167.10000111.1F56 F83 V110 L111 S116 M117 Q118 V126 F149F56-V114 HydrophobicContact CB-CG2 4.38Å; F83-V114 HydrophobicContact CE2-CG2 4.21Å; F83-V114 HydrophobicContact CZ-CG2 3.97Å; V110-V114 HydrophobicContact CG1-CG2 4.22Å; V110-V114 WeakPolarHBondContact O-CB 3.31Å; V110-V114 VanDerWaalsContact O-CG2 3.29Å; V110-V114 WeakPolarHBondContact O-CG2 3.48Å; V110-V114 PolarHBondContact O-N 3.25Å; L111-V114 PolarHBondContact O-N 2.95Å; V114-S116 VanDerWaalsContact C-N 3.33Å; V114-S116 PolarHBondContact O-N 3.42Å; V114-M117 PolarHBondContact O-N 2.88Å; V114-Q118 HydrophobicContact CG1-CG 4.36Å; V114-Q118 WeakPolarHBondContact O-CG 3.41Å; V114-Q118 PolarHBondContact O-N 3.21Å; V114-V126 HydrophobicContact CG1-CG1 4.26Å; V114-F149 HydrophobicContact CG1-CE1 4.09Å; V114-F149 HydrophobicContact CG1-CZ 4.47Å; V114-F149 HydrophobicContact CG2-CE1 4.38Å
115D98.8Very high98.4Very high61 Ų6144 Ų4433%0.32625%0.249SC..Hα-helixtrans-62.3-40.9-179.2-73.2-14.5000111.9L111 Q112 Q118 K119 R145L111-D115 WeakPolarHBondContact O-CB 3.39Å; L111-D115 PolarHBondContact O-N 2.89Å; Q112-D115 PolarHBondContact O-N 2.95Å; D115-Q118 PolarHBondContact O-N 3.49Å; D115-K119 PolarHBondContact O-N 3.43Å; D115-K119 VanDerWaalsContact O-N 3.08Å; D115-R145 IonicContact OD1-CZ 3.4Å; D115-R145 IonicContact OD1-NH1 2.65Å; D115-R145 PolarHBondContact OD1-NH1 3.45Å; D115-R145 IonicContact OD1-NH2 3.42Å; D115-R145 PolarHBondContact OD1-NH2 3.09Å; D115-R145 IonicContact OD2-CZ 3.52Å; D115-R145 IonicContact OD2-NH1 3.46Å; D115-R145 PolarHBondContact OD2-NH1 3.3Å; D115-R145 IonicContact OD2-NH2 2.73Å; D115-R145 PolarHBondContact OD2-NH2 3.06Å
116S98.7Very high98.4Very high66 Ų6643.6 Ų43.646%0.46225%0.246SC..Hα-helixtrans-61.4-46.4174.8-168.30000111.4Q112 H113 V114 K119 D120Q112-S116 PolarHBondContact O-N 3.4Å; Q112-S116 VanDerWaalsContact O-N 3.08Å; H113-S116 PolarHBondContact O-N 2.98Å; V114-S116 VanDerWaalsContact C-N 3.33Å; V114-S116 PolarHBondContact O-N 3.42Å; S116-K119 WeakPolarHBondContact O-CB 3.38Å; S116-K119 PolarHBondContact O-N 3.03Å; S116-D120 PolarHBondContact O-N 2.95Å
117M98.7Very high98.4Very high12 Ų1243.6 Ų43.66%0.05925%0.246CC..Hα-helixtrans-68.4-37.6-179.5-69.6-59-62.500112.5Y44 L54 L81 F83 H113 V114 K119 D120 Y121Y44-M117 HydrophobicContact CD1-CE 4.39Å; Y44-M117 HydrophobicContact CD1-SD 4.41Å; Y44-M117 HydrophobicContact CE1-CE 4.27Å; Y44-M117 HydrophobicContact CE1-SD 3.72Å; L54-M117 HydrophobicContact CD1-CB 4.05Å; L81-M117 HydrophobicContact CD1-CE 3.84Å; L81-M117 HydrophobicContact CD2-CE 3.45Å; L81-M117 VanDerWaalsContact CD2-CE 3.45Å; L81-M117 HydrophobicContact CG-CE 4.33Å; F83-M117 HydrophobicContact CD1-CG 4.44Å; F83-M117 HydrophobicContact CD2-CB 4.46Å; F83-M117 HydrophobicContact CD2-CG 3.59Å; F83-M117 HydrophobicContact CE2-CB 4.1Å; F83-M117 HydrophobicContact CE2-CG 3.64Å; F83-M117 HydrophobicContact CG-CG 4.01Å; F83-M117 HydrophobicContact CZ-CB 4.13Å; F83-M117 HydrophobicContact CZ-CG 4.13Å; H113-M117 WeakPolarHBondContact O-CG 3.23Å; H113-M117 PolarHBondContact O-N 2.96Å; V114-M117 PolarHBondContact O-N 2.88Å; M117-K119 VanDerWaalsContact C-N 3.28Å; M117-K119 PolarHBondContact O-N 2.77Å; M117-D120 PolarHBondContact O-N 3.02Å; M117-Y121 HydrophobicContact CE-CD2 4.02Å; M117-Y121 HydrophobicContact CE-CE2 3.84Å; M117-Y121 WeakPolarHBondContact O-CB 3.38Å; M117-Y121 WeakPolarHBondContact O-CD2 3.43Å; M117-Y121 PolarHBondContact O-N 3.41Å
118Q98.3Very high98.4Very high43 Ų4343.6 Ų43.620%0.20125%0.246CC..Hα-helixtrans-68.5-27.5176.1-73.9-172.1-73.400113L54 V114 D115 Y121 P122 V126 H148L54-Q118 HydrophobicContact CD1-CG 4.23Å; V114-Q118 HydrophobicContact CG1-CG 4.36Å; V114-Q118 WeakPolarHBondContact O-CG 3.41Å; V114-Q118 PolarHBondContact O-N 3.21Å; D115-Q118 PolarHBondContact O-N 3.49Å; Q118-Y121 CarbonylContact O-C 3.23Å; Q118-Y121 VanDerWaalsContact O-C 3.23Å; Q118-Y121 PolarHBondContact O-N 2.74Å; Q118-P122 VanDerWaalsContact O-CA 3.31Å; Q118-P122 WeakPolarHBondContact O-CA 3.13Å; Q118-V126 HydrophobicContact CG-CG2 3.53Å; Q118-V126 VanDerWaalsContact NE2-CG2 3.33Å; Q118-H148 PolarHBondContact NE2-NE2 3.37Å; Q118-H148 PolarHBondContact OE1-CE1 3.39Å; Q118-H148 VanDerWaalsContact OE1-CE1 3.31Å; Q118-H148 PolarHBondContact OE1-NE2 2.94Å
119K98.1Very high98.4Very high171 Ų17140.5 Ų40.574%0.74323%0.234SC*.Hα-helixtrans-65.6-41172.6-175.7-177.6175.3-175.10111.7D115 S116 M117D115-K119 PolarHBondContact O-N 3.43Å; D115-K119 VanDerWaalsContact O-N 3.08Å; S116-K119 WeakPolarHBondContact O-CB 3.38Å; S116-K119 PolarHBondContact O-N 3.03Å; M117-K119 VanDerWaalsContact C-N 3.28Å; M117-K119 PolarHBondContact O-N 2.77Å
120D97.8Very high98.4Very high108 Ų10840.4 Ų40.458%0.57823%0.234SC*.Hα-helixtrans-78.8-22.8179.3-65.9-16.9000112.5S116 M117 P122S116-D120 PolarHBondContact O-N 2.95Å; M117-D120 PolarHBondContact O-N 3.02Å; D120-P122 VanDerWaalsContact C-CD 3.49Å
121Y97.8Very high98.4Very high48 Ų4840.6 Ų40.619%0.18823%0.234CC..SBendtrans-128.265-179.9-65.5-88.1000111.7K46 P51 L54 L81 M117 Q118 L124K46-Y121 WeakPolarHBondContact CE-OH 3.43Å; K46-Y121 PolarHBondContact NZ-OH 3.32Å; K46-Y121 VanDerWaalsContact NZ-OH 3.07Å; P51-Y121 HydrophobicContact CG-CD1 4.34Å; P51-Y121 HydrophobicContact CG-CE1 3.98Å; L54-Y121 HydrophobicContact CD2-CD2 4.28Å; L54-Y121 HydrophobicContact CD2-CG 4.01Å; L81-Y121 HydrophobicContact CD1-CD2 4.12Å; L81-Y121 HydrophobicContact CD1-CE1 3.87Å; L81-Y121 HydrophobicContact CD1-CE2 3.44Å; L81-Y121 VanDerWaalsContact CD1-CE2 3.44Å; L81-Y121 WeakPolarHBondContact CD1-OH 3.23Å; M117-Y121 HydrophobicContact CE-CD2 4.02Å; M117-Y121 HydrophobicContact CE-CE2 3.84Å; M117-Y121 WeakPolarHBondContact O-CB 3.38Å; M117-Y121 WeakPolarHBondContact O-CD2 3.43Å; M117-Y121 PolarHBondContact O-N 3.41Å; Q118-Y121 CarbonylContact O-C 3.23Å; Q118-Y121 VanDerWaalsContact O-C 3.23Å; Q118-Y121 PolarHBondContact O-N 2.74Å; Y121-L124 HydrophobicContact CD1-CD1 4.1Å; Y121-L124 HydrophobicContact CG-CD1 4.44Å; Y121-L124 PolarHBondContact O-N 2.97Å
122P97.5Very high98.4Very high104 Ų10441.1 Ų41.168%0.67524%0.238SC*.THydrogen-bonded Turntrans-64.6141.5-174.227.3-35.3000111.9Q118 D120 L124Q118-P122 VanDerWaalsContact O-CA 3.31Å; Q118-P122 WeakPolarHBondContact O-CA 3.13Å; D120-P122 VanDerWaalsContact C-CD 3.49Å; P122-L124 PolarHBondContact O-N 3.28Å
123G95.7Very high98.4Very high86 Ų8638 Ų3889%0.88722%0.224SC*.THydrogen-bonded Turntrans80.3-9.9176.600000115.4
124L97.9Very high98.4Very high38 Ų3837.9 Ų37.920%0.19922%0.223CC..  trans-73.1137.8175.4-67-168.3000111.6P51 L54 Y121 P122P51-L124 HydrophobicContact CB-CD1 3.95Å; P51-L124 WeakPolarHBondContact O-CD1 3.47Å; P51-L124 WeakPolarHBondContact O-CD2 3.5Å; L54-L124 HydrophobicContact CD2-CD1 4.03Å; L54-L124 HydrophobicContact CG-CB 4.29Å; L54-L124 HydrophobicContact CG-CD1 4.44Å; Y121-L124 HydrophobicContact CD1-CD1 4.1Å; Y121-L124 HydrophobicContact CG-CD1 4.44Å; Y121-L124 PolarHBondContact O-N 2.97Å; P122-L124 PolarHBondContact O-N 3.28Å
125P98.4Very high98.4Very high32 Ų3237.9 Ų37.921%0.20822%0.223CC..  trans-63.7145.817126-32000110.4A53 L54 F127 A150 A307A53-P125 WeakPolarHBondContact CA-O 3.35Å; A53-P125 HydrophobicContact CB-CG 3.75Å; A53-P125 WeakPolarHBondContact CB-O 3.36Å; L54-P125 PolarHBondContact N-O 2.88Å; P125-F127 HydrophobicContact CB-CE2 4.35Å; P125-A150 HydrophobicContact CB-CB 3.68Å; P125-A307 HydrophobicContact CG-CB 3.92Å
126V98.8Very high98.4Very high1 Ų135 Ų351%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-119.1127.8179.4-173.30000110.5L54 V114 Q118 F149 A150L54-V126 HydrophobicContact CB-CG1 4.3Å; L54-V126 HydrophobicContact CB-CG2 4.1Å; L54-V126 HydrophobicContact CD1-CG2 3.96Å; L54-V126 HydrophobicContact CG-CG2 4.32Å; L54-V126 WeakPolarHBondContact O-CA 3.5Å; V114-V126 HydrophobicContact CG1-CG1 4.26Å; Q118-V126 HydrophobicContact CG-CG2 3.53Å; Q118-V126 VanDerWaalsContact NE2-CG2 3.33Å; V126-F149 HydrophobicContact CB-CD1 4.34Å; V126-F149 HydrophobicContact CG1-CD1 4.19Å; V126-F149 HydrophobicContact CG1-CE1 4.24Å; V126-F149 WeakPolarHBondContact O-CA 3.42Å; V126-A150 PolarHBondContact O-N 3.19Å
127F98.9Very high98.4Very high0 Ų031.8 Ų31.80%019%0.186CC..EExtended strand (participates in β ladder)trans-104.4158.9173.7-66.8-97.5000110.8A53 L54 I55 F56 P125 A150 G151 W299 R303 T304A53-F127 HydrophobicContact CB-CD2 4Å; A53-F127 HydrophobicContact CB-CE2 3.87Å; L54-F127 PolarHBondContact O-N 2.87Å; I55-F127 WeakPolarHBondContact CA-O 3.38Å; I55-F127 HydrophobicContact CB-CB 3.99Å; I55-F127 HydrophobicContact CD1-CB 3.78Å; I55-F127 HydrophobicContact CG1-CB 3.73Å; F56-F127 PolarHBondContact N-O 3.3Å; P125-F127 HydrophobicContact CB-CE2 4.35Å; F127-A150 HydrophobicContact CD1-CB 4.37Å; F127-A150 HydrophobicContact CD2-CB 4.2Å; F127-A150 HydrophobicContact CE1-CB 3.95Å; F127-A150 HydrophobicContact CE2-CB 3.75Å; F127-A150 HydrophobicContact CG-CB 4.48Å; F127-A150 HydrophobicContact CZ-CB 3.62Å; F127-G151 VanDerWaalsContact CA-O 3.29Å; F127-G151 WeakPolarHBondContact CA-O 3.18Å; F127-W299 HydrophobicContact CD1-CZ3 4.13Å; F127-W299 HydrophobicContact CE1-CZ3 4.04Å; F127-R303 HydrophobicContact CE1-CB 4.05Å; F127-R303 HydrophobicContact CZ-CB 3.97Å; F127-T304 HydrophobicContact CE2-CG2 3.74Å; F127-T304 HydrophobicContact CZ-CG2 4.05Å
128L98.9Very high98.4Very high2 Ų231.3 Ų31.31%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-116.8141.3168.4-57.5174.7000109.2F56 A138 T141 A142 F149 G151 M152 V153F56-L128 HydrophobicContact CB-CD2 3.89Å; F56-L128 HydrophobicContact CD1-CD2 4.35Å; L128-A138 HydrophobicContact CB-CB 4.08Å; L128-A138 HydrophobicContact CD1-CB 4.24Å; L128-A138 WeakPolarHBondContact CD1-O 3.42Å; L128-T141 HydrophobicContact CD1-CG2 3.95Å; L128-A142 HydrophobicContact CD1-CB 4.25Å; L128-F149 HydrophobicContact CD1-CD1 3.97Å; L128-F149 HydrophobicContact CD1-CD2 4.25Å; L128-F149 HydrophobicContact CD1-CE1 4Å; L128-F149 HydrophobicContact CD1-CE2 4.28Å; L128-F149 HydrophobicContact CD1-CG 4.1Å; L128-F149 HydrophobicContact CD1-CZ 4.16Å; L128-F149 HydrophobicContact CD2-CD1 4Å; L128-F149 HydrophobicContact CD2-CE1 3.7Å; L128-F149 HydrophobicContact CD2-CZ 4.37Å; L128-F149 HydrophobicContact CG-CD1 3.73Å; L128-F149 HydrophobicContact CG-CE1 3.9Å; L128-F149 HydrophobicContact CG-CG 4.25Å; L128-G151 PolarHBondContact N-O 2.85Å; L128-M152 HydrophobicContact CB-CG 4.13Å; L128-M152 HydrophobicContact CD1-CG 4.34Å; L128-M152 HydrophobicContact CD1-SD 4.08Å; L128-M152 CarbonylContact O-C 3.58Å; L128-M152 VanDerWaalsContact O-CA 3.23Å; L128-M152 WeakPolarHBondContact O-CA 3.35Å; L128-V153 PolarHBondContact O-N 3.44Å
129L98.9Very high98.4Very high0 Ų029.3 Ų29.30%017%0.174CC..EExtended strand (participates in β ladder)trans-125.4127.5166.4-175.5149.4000108.5I55 F56 V57 S58 Y68 L71 L75 V153 I155 I296I55-L129 HydrophobicContact CD1-CB 4.12Å; I55-L129 HydrophobicContact CG1-CB 4.32Å; F56-L129 PolarHBondContact O-N 2.83Å; V57-L129 CarbonylContact C-O 3.47Å; V57-L129 WeakPolarHBondContact CA-O 3.17Å; V57-L129 HydrophobicContact CG1-CD2 4.09Å; V57-L129 HydrophobicContact CG2-CB 4.42Å; S58-L129 PolarHBondContact N-O 3.49Å; Y68-L129 HydrophobicContact CD1-CD2 4.25Å; Y68-L129 HydrophobicContact CE1-CD2 4.16Å; L71-L129 HydrophobicContact CD2-CD1 3.34Å; L71-L129 HydrophobicContact CD2-CD2 4.24Å; L71-L129 HydrophobicContact CD2-CG 4.45Å; L75-L129 HydrophobicContact CD1-CD1 4.22Å; L129-V153 CarbonylContact C-O 3.54Å; L129-V153 VanDerWaalsContact CA-O 3.27Å; L129-V153 WeakPolarHBondContact CA-O 3.27Å; L129-V153 HydrophobicContact CB-CB 4.28Å; L129-V153 HydrophobicContact CD1-CB 3.97Å; L129-V153 HydrophobicContact CD1-CG1 3.84Å; L129-V153 HydrophobicContact CG-CB 3.98Å; L129-V153 HydrophobicContact CG-CG1 4.06Å; L129-I155 HydrophobicContact CD2-CD1 4.38Å; L129-I296 HydrophobicContact CD1-CD1 4.47Å; L129-I296 HydrophobicContact CD1-CG2 4.43Å
130G98.9Very high98.4Very high0 Ų022 Ų220%014%0.144CC..EExtended strand (participates in β ladder)trans-141138.1-177.300000113.2S58 V153 L154 I155S58-G130 WeakPolarHBondContact O-CA 3.41Å; G130-V153 PolarHBondContact N-O 2.98Å; G130-L154 WeakPolarHBondContact O-CA 3.21Å; G130-I155 PolarHBondContact O-N 3.34Å
131H98.9Very high98.5Very high5 Ų516.9 Ų16.92%0.02312%0.116CC..EExtended strand (participates in β ladder)trans-113.3139173.2171.451.5000111.2S58 E63 Y68 M133 G134 G135 I155 H279 H282S58-H131 PolarHBondContact O-N 3.35Å; E63-H131 IonicContact OE1-CD2 3.96Å; Y68-H131 HydrophobicContact CE1-CB 4.37Å; Y68-H131 WeakPolarHBondContact OH-CB 3.38Å; H131-M133 PolarHBondContact O-N 2.9Å; H131-G134 VanDerWaalsContact O-CA 3.27Å; H131-G134 WeakPolarHBondContact O-CA 3.08Å; H131-G134 PolarHBondContact O-N 3.41Å; H131-G135 PolarHBondContact O-N 2.88Å; H131-I155 WeakPolarHBondContact CA-O 3.22Å; H131-I155 HydrophobicContact CB-CB 4.33Å; H131-I155 PolarHBondContact ND1-O 3.06Å; H131-H279 AromaticContact CE1-CD2 3.66Å; H131-H279 AromaticContact CE1-CE1 3.9Å; H131-H279 AromaticContact CE1-NE2 3.5Å; H131-H279 PolarHBondContact CE1-O 2.8Å; H131-H279 AromaticContact NE2-CD2 3.81Å; H131-H279 AromaticContact NE2-NE2 3.74Å; H131-H282 AromaticContact CD2-CE1 3.73Å; H131-H282 AromaticContact CG-CE1 3.75Å
132S98.2Very high98.6Very high17 Ų1714.9 Ų14.912%0.11911%0.109CC..THydrogen-bonded Turntrans54.4-124.6171.9-166.30000111.9G134 G135 A136 I155 S156 L158 H279S132-G134 VanDerWaalsContact C-N 3.26Å; S132-G134 PolarHBondContact O-N 2.93Å; S132-G135 WeakPolarHBondContact O-CA 3.39Å; S132-G135 PolarHBondContact O-N 2.58Å; S132-A136 PolarHBondContact O-N 2.9Å; S132-I155 PolarHBondContact N-O 2.89Å; S132-S156 WeakPolarHBondContact CA-O 3.24Å; S132-S156 PolarHBondContact N-O 3Å; S132-L158 PolarHBondContact O-N 2.98Å; S132-H279 WeakPolarHBondContact CB-NE2 3.49Å; S132-H279 PolarHBondContact OG-CE1 3.5Å; S132-H279 PolarHBondContact OG-NE2 3.16Å
133M98.7Very high98.6Very high1 Ų111 Ų111%0.0059%0.086CC..Hα-helixtrans-52.3-41.5170.8-176.1-171.977.200112.8A61 F103 F106 H131 G135 A136 I137 F219 L223A61-M133 HydrophobicContact CB-CB 4.07Å; A61-M133 HydrophobicContact CB-CE 4.26Å; A61-M133 HydrophobicContact CB-SD 3.76Å; F103-M133 HydrophobicContact CE2-CG 3.7Å; F103-M133 HydrophobicContact CE2-SD 4.04Å; F103-M133 HydrophobicContact CZ-CG 3.78Å; F106-M133 HydrophobicContact CE2-CE 4.48Å; F106-M133 HydrophobicContact CE2-SD 4.3Å; H131-M133 PolarHBondContact O-N 2.9Å; M133-G135 PolarHBondContact O-N 2.75Å; M133-A136 WeakPolarHBondContact O-CB 3.27Å; M133-A136 PolarHBondContact O-N 2.85Å; M133-A136 VanDerWaalsContact O-N 3.08Å; M133-I137 HydrophobicContact CE-CD1 4.01Å; M133-I137 HydrophobicContact CG-CD1 4.2Å; M133-I137 WeakPolarHBondContact O-CG1 3.28Å; M133-I137 PolarHBondContact O-N 2.86Å; M133-F219 HydrophobicContact SD-CE1 4.39Å; M133-F219 HydrophobicContact SD-CZ 3.66Å; M133-L223 HydrophobicContact CB-CD2 4.45Å; M133-L223 HydrophobicContact CG-CD2 3.9Å; M133-L223 HydrophobicContact SD-CD2 3.82Å
134G98.9Very high98.7Very high0 Ų011.3 Ų11.30%06%0.064CC..Hα-helixtrans-62.3-29.2175.600000113.3S58 H59 H131 S132 I137 A138S58-G134 WeakPolarHBondContact CB-O 3.35Å; S58-G134 WeakPolarHBondContact O-CA 3.23Å; S58-G134 VanDerWaalsContact OG-CA 3.22Å; S58-G134 WeakPolarHBondContact OG-CA 3.44Å; S58-G134 PolarHBondContact OG-O 2.97Å; S58-G134 VanDerWaalsContact OG-O 3.08Å; H59-G134 WeakPolarHBondContact O-CA 3.16Å; H59-G134 PolarHBondContact O-N 3.35Å; H131-G134 VanDerWaalsContact O-CA 3.27Å; H131-G134 WeakPolarHBondContact O-CA 3.08Å; H131-G134 PolarHBondContact O-N 3.41Å; S132-G134 VanDerWaalsContact C-N 3.26Å; S132-G134 PolarHBondContact O-N 2.93Å; G134-I137 PolarHBondContact O-N 2.89Å; G134-A138 WeakPolarHBondContact O-CB 3.46Å; G134-A138 PolarHBondContact O-N 3.3Å
135G98.8Very high98.8Very high0 Ų013.1 Ų13.10%07%0.068CC..Hα-helixtrans-67.9-41.3170.200000112.8H131 S132 M133 I137 A138 I139H131-G135 PolarHBondContact O-N 2.88Å; S132-G135 WeakPolarHBondContact O-CA 3.39Å; S132-G135 PolarHBondContact O-N 2.58Å; M133-G135 PolarHBondContact O-N 2.75Å; G135-I137 VanDerWaalsContact C-N 3.34Å; G135-A138 PolarHBondContact O-N 3.31Å; G135-I139 VanDerWaalsContact O-CG1 3.31Å; G135-I139 WeakPolarHBondContact O-CG1 3.46Å; G135-I139 PolarHBondContact O-N 2.89Å
136A98.9Very high98.7Very high0 Ų015.9 Ų15.90%09%0.086CC..Hα-helixtrans-62.8-41.9172.100000111.6F103 S132 M133 I139 L140 L158 V230F103-A136 HydrophobicContact CE1-CB 4.5Å; F103-A136 HydrophobicContact CZ-CB 4.32Å; S132-A136 PolarHBondContact O-N 2.9Å; M133-A136 WeakPolarHBondContact O-CB 3.27Å; M133-A136 PolarHBondContact O-N 2.85Å; M133-A136 VanDerWaalsContact O-N 3.08Å; A136-I139 PolarHBondContact O-N 3.48Å; A136-L140 VanDerWaalsContact O-CG 3.3Å; A136-L140 WeakPolarHBondContact O-CG 3.48Å; A136-L140 PolarHBondContact O-N 3.12Å; A136-L158 HydrophobicContact CB-CB 4.1Å; A136-L158 WeakPolarHBondContact CB-O 3.41Å; A136-V230 HydrophobicContact CB-CG2 3.91Å
137I98.9Very high98.6Very high0 Ų019.1 Ų19.10%012%0.12CC..Hα-helixtrans-58.3-50174.2-65.7161.7000109.7F103 F106 V107 V110 M133 G134 G135 I139 L140 T141F103-I137 HydrophobicContact CE1-CG1 3.74Å; F103-I137 HydrophobicContact CZ-CD1 4.27Å; F103-I137 HydrophobicContact CZ-CG1 3.63Å; F106-I137 HydrophobicContact CB-CD1 3.57Å; F106-I137 HydrophobicContact CB-CG1 3.82Å; F106-I137 HydrophobicContact CB-CG2 4.31Å; F106-I137 HydrophobicContact CD2-CD1 4.09Å; F106-I137 HydrophobicContact CG-CD1 3.88Å; F106-I137 HydrophobicContact CG-CG1 4.48Å; V107-I137 HydrophobicContact CG2-CG2 4.37Å; V110-I137 HydrophobicContact CG2-CG2 3.75Å; M133-I137 HydrophobicContact CE-CD1 4.01Å; M133-I137 HydrophobicContact CG-CD1 4.2Å; M133-I137 WeakPolarHBondContact O-CG1 3.28Å; M133-I137 PolarHBondContact O-N 2.86Å; G134-I137 PolarHBondContact O-N 2.89Å; G135-I137 VanDerWaalsContact C-N 3.34Å; I137-I139 PolarHBondContact O-N 3.14Å; I137-L140 PolarHBondContact O-N 3.15Å; I137-T141 WeakPolarHBondContact O-CB 3.36Å; I137-T141 PolarHBondContact O-N 3.39Å; I137-T141 PolarHBondContact O-OG1 3.39Å
138A98.9Very high98.6Very high2 Ų222.4 Ų22.42%0.01714%0.135CC..Hα-helixtrans-58.3-44.4178.500000112.9L128 G134 G135 L140 T141 A142 M152 L154L128-A138 HydrophobicContact CB-CB 4.08Å; L128-A138 HydrophobicContact CD1-CB 4.24Å; L128-A138 WeakPolarHBondContact CD1-O 3.42Å; G134-A138 WeakPolarHBondContact O-CB 3.46Å; G134-A138 PolarHBondContact O-N 3.3Å; G135-A138 PolarHBondContact O-N 3.31Å; A138-L140 PolarHBondContact O-N 3.39Å; A138-T141 PolarHBondContact O-N 3.15Å; A138-A142 PolarHBondContact O-N 3.46Å; A138-M152 HydrophobicContact CB-SD 4.39Å; A138-M152 VanDerWaalsContact O-SD 3.39Å; A138-L154 HydrophobicContact CB-CD2 4.15Å
139I98.9Very high98.6Very high0 Ų022.8 Ų22.80%014%0.137CC..Hα-helixtrans-59.2-47.4176.5-69.2163.5000111G135 A136 I137 A142 A143 M152 L154 P157 V159 V230 L234 L237 L260G135-I139 VanDerWaalsContact O-CG1 3.31Å; G135-I139 WeakPolarHBondContact O-CG1 3.46Å; G135-I139 PolarHBondContact O-N 2.89Å; A136-I139 PolarHBondContact O-N 3.48Å; I137-I139 PolarHBondContact O-N 3.14Å; I139-A142 PolarHBondContact O-N 3.37Å; I139-A143 WeakPolarHBondContact O-CB 3.27Å; I139-A143 PolarHBondContact O-N 2.92Å; I139-M152 HydrophobicContact CG1-CE 4.18Å; I139-L154 HydrophobicContact CD1-CD1 4.04Å; I139-L154 HydrophobicContact CG1-CD1 3.91Å; I139-L154 HydrophobicContact CG1-CD2 4.22Å; I139-P157 HydrophobicContact CD1-CB 4.28Å; I139-V159 HydrophobicContact CD1-CG2 3.91Å; I139-V230 HydrophobicContact CD1-CG1 4.24Å; I139-V230 HydrophobicContact CG2-CG1 4.16Å; I139-V230 HydrophobicContact CG2-CG2 4.36Å; I139-L234 HydrophobicContact CG2-CD2 4.34Å; I139-L237 HydrophobicContact CG2-CD1 4.43Å; I139-L237 HydrophobicContact CG2-CD2 4.26Å; I139-L260 HydrophobicContact CD1-CD2 4.26Å
140L98.9Very high98.6Very high19 Ų1924.4 Ų24.410%0.09915%0.15CC..Hα-helixtrans-67.7-41.6-179.4-66.7177.1000111.8F103 V107 A136 I137 A138 A142 A143 E144 R229 V230 A233F103-L140 HydrophobicContact CD1-CD1 3.89Å; F103-L140 HydrophobicContact CE1-CD1 3.86Å; V107-L140 HydrophobicContact CG2-CB 3.69Å; V107-L140 HydrophobicContact CG2-CD1 4.21Å; A136-L140 VanDerWaalsContact O-CG 3.3Å; A136-L140 WeakPolarHBondContact O-CG 3.48Å; A136-L140 PolarHBondContact O-N 3.12Å; I137-L140 PolarHBondContact O-N 3.15Å; A138-L140 PolarHBondContact O-N 3.39Å; L140-A142 VanDerWaalsContact C-N 3.35Å; L140-A142 PolarHBondContact O-N 3.27Å; L140-A143 PolarHBondContact O-N 3.01Å; L140-E144 WeakPolarHBondContact O-CB 3.45Å; L140-E144 PolarHBondContact O-N 2.86Å; L140-R229 HydrophobicContact CD1-CB 4.09Å; L140-R229 HydrophobicContact CD2-CB 3.75Å; L140-V230 HydrophobicContact CD1-CG2 4.36Å; L140-V230 HydrophobicContact CD2-CG2 4.05Å; L140-V230 HydrophobicContact CG-CG2 3.98Å; L140-A233 HydrophobicContact CD2-CB 4.1Å
141T98.9Very high98.6Very high0 Ų024.4 Ų24.40%015%0.15CC..Hα-helixtrans-56.2-47.7173.9-62.40000111.3V110 L111 L128 I137 A138 E144 R145 F149V110-T141 HydrophobicContact CG1-CG2 3.9Å; L111-T141 HydrophobicContact CD2-CG2 3.63Å; L111-T141 HydrophobicContact CG-CG2 4.04Å; L128-T141 HydrophobicContact CD1-CG2 3.95Å; I137-T141 WeakPolarHBondContact O-CB 3.36Å; I137-T141 PolarHBondContact O-N 3.39Å; I137-T141 PolarHBondContact O-OG1 3.39Å; A138-T141 PolarHBondContact O-N 3.15Å; T141-E144 PolarHBondContact O-N 3.47Å; T141-R145 PolarHBondContact O-N 3.38Å; T141-F149 HydrophobicContact CG2-CE1 4.44Å; T141-F149 HydrophobicContact CG2-CE2 3.86Å; T141-F149 HydrophobicContact CG2-CZ 3.54Å
142A98.8Very high98.6Very high5 Ų524.1 Ų24.14%0.04115%0.149CC..Hα-helixtrans-70.1-33.3178.800000113.3L128 A138 I139 L140 E144 R145 F149 M152 L237 V239L128-A142 HydrophobicContact CD1-CB 4.25Å; A138-A142 PolarHBondContact O-N 3.46Å; I139-A142 PolarHBondContact O-N 3.37Å; L140-A142 VanDerWaalsContact C-N 3.35Å; L140-A142 PolarHBondContact O-N 3.27Å; A142-E144 VanDerWaalsContact C-N 3.3Å; A142-R145 CarbonylContact O-C 3.59Å; A142-R145 VanDerWaalsContact O-C 3.26Å; A142-R145 PolarHBondContact O-N 3.05Å; A142-F149 HydrophobicContact CB-CD2 3.95Å; A142-F149 HydrophobicContact CB-CE2 4.48Å; A142-M152 HydrophobicContact CB-CE 4.3Å; A142-M152 HydrophobicContact CB-CG 4.42Å; A142-M152 HydrophobicContact CB-SD 3.41Å; A142-M152 WeakPolarHBondContact CB-SD 3.45Å; A142-L237 HydrophobicContact CB-CD1 4.1Å; A142-V239 HydrophobicContact CB-CB 4.43Å; A142-V239 HydrophobicContact CB-CG1 3.78Å
143A98.5Very high98.6Very high22 Ų2223.4 Ų23.418%0.18214%0.143CC..Hα-helixtrans-69.4-27.9174.800000113I139 L140 A233 L237I139-A143 WeakPolarHBondContact O-CB 3.27Å; I139-A143 PolarHBondContact O-N 2.92Å; L140-A143 PolarHBondContact O-N 3.01Å; A143-A233 HydrophobicContact CB-CB 3.75Å; A143-L237 HydrophobicContact CB-CD1 4.37Å
144E98.7Very high98.6Very high94 Ų9423.3 Ų23.344%0.43914%0.143SC..Hα-helixtrans-76-25.5176.3-167.6168.9147.200112.6H104 V107 L111 L140 T141 A142 P146H104-E144 IonicContact CE1-OE1 2.72Å; H104-E144 IonicContact CE1-OE2 3.33Å; H104-E144 PolarHBondContact CE1-OE2 3.39Å; H104-E144 IonicContact NE2-OE1 3.92Å; H104-E144 IonicContact NE2-OE2 3.32Å; H104-E144 PolarHBondContact NE2-OE2 3.11Å; V107-E144 WeakPolarHBondContact CG1-OE2 3.49Å; L111-E144 HydrophobicContact CD1-CG 4.23Å; L111-E144 WeakPolarHBondContact CD1-OE1 3.29Å; L140-E144 WeakPolarHBondContact O-CB 3.45Å; L140-E144 PolarHBondContact O-N 2.86Å; T141-E144 PolarHBondContact O-N 3.47Å; A142-E144 VanDerWaalsContact C-N 3.3Å; E144-P146 WeakPolarHBondContact O-CD 3.44Å
145R98.3Very high98.6Very high76 Ų7623.3 Ų23.329%0.28714%0.143SC..SBendtrans-123.974.1172.2-58-159178.9177.77.6112.5L111 D115 T141 A142 G147 H148 F149L111-R145 HydrophobicContact CD2-CG 4.12Å; D115-R145 IonicContact OD1-CZ 3.4Å; D115-R145 IonicContact OD1-NH1 2.65Å; D115-R145 PolarHBondContact OD1-NH1 3.45Å; D115-R145 IonicContact OD1-NH2 3.42Å; D115-R145 PolarHBondContact OD1-NH2 3.09Å; D115-R145 IonicContact OD2-CZ 3.52Å; D115-R145 IonicContact OD2-NH1 3.46Å; D115-R145 PolarHBondContact OD2-NH1 3.3Å; D115-R145 IonicContact OD2-NH2 2.73Å; D115-R145 PolarHBondContact OD2-NH2 3.06Å; T141-R145 PolarHBondContact O-N 3.38Å; A142-R145 CarbonylContact O-C 3.59Å; A142-R145 VanDerWaalsContact O-C 3.26Å; A142-R145 PolarHBondContact O-N 3.05Å; R145-G147 PolarHBondContact O-N 3.22Å; R145-H148 HydrophobicContact CB-CB 3.62Å; R145-H148 VanDerWaalsContact O-CB 3.27Å; R145-H148 WeakPolarHBondContact O-CB 3.45Å; R145-H148 PolarHBondContact O-N 3.39Å; R145-H148 VanDerWaalsContact O-N 3.13Å; R145-F149 HydrophobicContact CB-CE2 4.14Å
146P97.9Very high98.6Very high90 Ų9023.3 Ų23.358%0.58414%0.143SC*.THydrogen-bonded Turntrans-56.8128.4179.7-23.433.8000112E144 H148E144-P146 WeakPolarHBondContact O-CD 3.44Å; P146-H148 VanDerWaalsContact C-N 3.29Å; P146-H148 PolarHBondContact O-N 3.47Å
147G96.4Very high98.6Very high69 Ų6923.5 Ų23.571%0.71114%0.144SC*.THydrogen-bonded Turntrans79.80.817900000115.7R145R145-G147 PolarHBondContact O-N 3.22Å
148H98.3Very high98.6Very high69 Ų6924.2 Ų24.232%0.31915%0.148SC..THydrogen-bonded Turntrans-82.9-40.1-178.2-172.977.6000113.8Q118 R145 P146Q118-H148 PolarHBondContact NE2-NE2 3.37Å; Q118-H148 PolarHBondContact OE1-CE1 3.39Å; Q118-H148 VanDerWaalsContact OE1-CE1 3.31Å; Q118-H148 PolarHBondContact OE1-NE2 2.94Å; R145-H148 HydrophobicContact CB-CB 3.62Å; R145-H148 VanDerWaalsContact O-CB 3.27Å; R145-H148 WeakPolarHBondContact O-CB 3.45Å; R145-H148 PolarHBondContact O-N 3.39Å; R145-H148 VanDerWaalsContact O-N 3.13Å; P146-H148 VanDerWaalsContact C-N 3.29Å; P146-H148 PolarHBondContact O-N 3.47Å
149F98.8Very high98.4Very high9 Ų924.3 Ų24.34%0.03915%0.149CC..  trans-89.3139.8-175.9-62.5-81.2000111.5L111 V114 V126 L128 T141 A142 R145 G151 V239L111-F149 HydrophobicContact CD2-CZ 4.17Å; V114-F149 HydrophobicContact CG1-CE1 4.09Å; V114-F149 HydrophobicContact CG1-CZ 4.47Å; V114-F149 HydrophobicContact CG2-CE1 4.38Å; V126-F149 HydrophobicContact CB-CD1 4.34Å; V126-F149 HydrophobicContact CG1-CD1 4.19Å; V126-F149 HydrophobicContact CG1-CE1 4.24Å; V126-F149 WeakPolarHBondContact O-CA 3.42Å; L128-F149 HydrophobicContact CD1-CD1 3.97Å; L128-F149 HydrophobicContact CD1-CD2 4.25Å; L128-F149 HydrophobicContact CD1-CE1 4Å; L128-F149 HydrophobicContact CD1-CE2 4.28Å; L128-F149 HydrophobicContact CD1-CG 4.1Å; L128-F149 HydrophobicContact CD1-CZ 4.16Å; L128-F149 HydrophobicContact CD2-CD1 4Å; L128-F149 HydrophobicContact CD2-CE1 3.7Å; L128-F149 HydrophobicContact CD2-CZ 4.37Å; L128-F149 HydrophobicContact CG-CD1 3.73Å; L128-F149 HydrophobicContact CG-CE1 3.9Å; L128-F149 HydrophobicContact CG-CG 4.25Å; T141-F149 HydrophobicContact CG2-CE1 4.44Å; T141-F149 HydrophobicContact CG2-CE2 3.86Å; T141-F149 HydrophobicContact CG2-CZ 3.54Å; A142-F149 HydrophobicContact CB-CD2 3.95Å; A142-F149 HydrophobicContact CB-CE2 4.48Å; R145-F149 HydrophobicContact CB-CE2 4.14Å; F149-G151 VanDerWaalsContact C-N 3.34Å; F149-V239 HydrophobicContact CB-CG2 3.96Å; F149-V239 WeakPolarHBondContact O-CG2 3.5Å
150A98.7Very high97.9Very high34 Ų3426.9 Ų26.928%0.28116%0.162SC..SBendtrans-75.9-24179.900000112.8P125 V126 F127P125-A150 HydrophobicContact CB-CB 3.68Å; V126-A150 PolarHBondContact O-N 3.19Å; F127-A150 HydrophobicContact CD1-CB 4.37Å; F127-A150 HydrophobicContact CD2-CB 4.2Å; F127-A150 HydrophobicContact CE1-CB 3.95Å; F127-A150 HydrophobicContact CE2-CB 3.75Å; F127-A150 HydrophobicContact CG-CB 4.48Å; F127-A150 HydrophobicContact CZ-CB 3.62Å
151G98.8Very high96.9Very high0 Ų027.2 Ų27.20%017%0.167CC..EExtended strand (participates in β ladder)trans177.2164.4176.500000113.8F127 L128 F149 P240F127-G151 VanDerWaalsContact CA-O 3.29Å; F127-G151 WeakPolarHBondContact CA-O 3.18Å; L128-G151 PolarHBondContact N-O 2.85Å; F149-G151 VanDerWaalsContact C-N 3.34Å; G151-P240 CarbonylContact C-O 3.56Å; G151-P240 VanDerWaalsContact CA-O 3.23Å; G151-P240 WeakPolarHBondContact CA-O 3.47Å
152M98.8Very high95.7Very high0 Ų028.4 Ų28.40%017%0.174CC..EExtended strand (participates in β ladder)trans-127.2138.5173.9-55.7-165.7-56.400112.1L128 A138 I139 A142 L154 L237 V239 P240 F241 L242L128-M152 HydrophobicContact CB-CG 4.13Å; L128-M152 HydrophobicContact CD1-CG 4.34Å; L128-M152 HydrophobicContact CD1-SD 4.08Å; L128-M152 CarbonylContact O-C 3.58Å; L128-M152 VanDerWaalsContact O-CA 3.23Å; L128-M152 WeakPolarHBondContact O-CA 3.35Å; A138-M152 HydrophobicContact CB-SD 4.39Å; A138-M152 VanDerWaalsContact O-SD 3.39Å; I139-M152 HydrophobicContact CG1-CE 4.18Å; A142-M152 HydrophobicContact CB-CE 4.3Å; A142-M152 HydrophobicContact CB-CG 4.42Å; A142-M152 HydrophobicContact CB-SD 3.41Å; A142-M152 WeakPolarHBondContact CB-SD 3.45Å; M152-L154 HydrophobicContact CB-CG 4.45Å; M152-L154 HydrophobicContact CE-CD1 4.24Å; M152-L237 HydrophobicContact CE-CD1 4.09Å; M152-L237 HydrophobicContact CE-CD2 3.93Å; M152-L237 HydrophobicContact CE-CG 4.42Å; M152-V239 HydrophobicContact CE-CG1 3.49Å; M152-V239 VanDerWaalsContact CE-CG1 3.49Å; M152-V239 HydrophobicContact CG-CG1 3.93Å; M152-V239 HydrophobicContact CG-CG2 3.93Å; M152-V239 HydrophobicContact SD-CG1 3.88Å; M152-P240 PolarHBondContact N-O 3.17Å; M152-F241 HydrophobicContact CB-CB 4.08Å; M152-F241 HydrophobicContact CE-CB 4.49Å; M152-F241 CarbonylContact O-C 3.57Å; M152-F241 WeakPolarHBondContact O-CA 3.13Å; M152-F241 WeakPolarHBondContact O-CB 3.11Å; M152-L242 PolarHBondContact O-N 3.3Å
153V98.9Very high94.3Very high1 Ų131 Ų311%0.00619%0.191CC..EExtended strand (participates in β ladder)trans-109.2119.7167.7176.60000108L128 L129 G130 I155 L242 I296 W299 V300L128-V153 PolarHBondContact O-N 3.44Å; L129-V153 CarbonylContact C-O 3.54Å; L129-V153 VanDerWaalsContact CA-O 3.27Å; L129-V153 WeakPolarHBondContact CA-O 3.27Å; L129-V153 HydrophobicContact CB-CB 4.28Å; L129-V153 HydrophobicContact CD1-CB 3.97Å; L129-V153 HydrophobicContact CD1-CG1 3.84Å; L129-V153 HydrophobicContact CG-CB 3.98Å; L129-V153 HydrophobicContact CG-CG1 4.06Å; G130-V153 PolarHBondContact N-O 2.98Å; V153-I155 HydrophobicContact CG1-CG1 4.47Å; V153-L242 HydrophobicContact CG1-CD2 4.49Å; V153-L242 HydrophobicContact CG2-CB 4.5Å; V153-I296 HydrophobicContact CG1-CD1 3.83Å; V153-I296 HydrophobicContact CG1-CG1 3.71Å; V153-I296 HydrophobicContact CG1-CG2 4.28Å; V153-I296 HydrophobicContact CG2-CG2 4.39Å; V153-W299 HydrophobicContact CG2-CE3 4.09Å; V153-W299 HydrophobicContact CG2-CZ3 4.26Å; V153-V300 HydrophobicContact CG2-CG2 4.08Å
154L98.9Very high92.9Very high0 Ų037.1 Ų37.10%022%0.215CC..EExtended strand (participates in β ladder)trans-117.3119.6-175.5-61.2175.4000110G130 A138 I139 M152 P157 L242 L243 L244 L260G130-L154 WeakPolarHBondContact O-CA 3.21Å; A138-L154 HydrophobicContact CB-CD2 4.15Å; I139-L154 HydrophobicContact CD1-CD1 4.04Å; I139-L154 HydrophobicContact CG1-CD1 3.91Å; I139-L154 HydrophobicContact CG1-CD2 4.22Å; M152-L154 HydrophobicContact CB-CG 4.45Å; M152-L154 HydrophobicContact CE-CD1 4.24Å; L154-P157 HydrophobicContact CB-CB 4.24Å; L154-P157 HydrophobicContact CB-CG 3.99Å; L154-P157 HydrophobicContact CD1-CG 4.39Å; L154-P157 HydrophobicContact CD2-CB 4.49Å; L154-L242 PolarHBondContact N-O 3.42Å; L154-L243 HydrophobicContact CB-CD1 3.9Å; L154-L244 PolarHBondContact O-N 3.31Å; L154-L260 HydrophobicContact CD1-CD2 3.71Å
155I98.9Very high91.3Very high0 Ų036.5 Ų36.50%022%0.221CC..EExtended strand (participates in β ladder)trans-110.3105.1179.1-51.6175.8000108.3L71 L129 G130 H131 S132 V153 L281 H282 I296L71-I155 HydrophobicContact CD1-CD1 4.2Å; L129-I155 HydrophobicContact CD2-CD1 4.38Å; G130-I155 PolarHBondContact O-N 3.34Å; H131-I155 WeakPolarHBondContact CA-O 3.22Å; H131-I155 HydrophobicContact CB-CB 4.33Å; H131-I155 PolarHBondContact ND1-O 3.06Å; S132-I155 PolarHBondContact N-O 2.89Å; V153-I155 HydrophobicContact CG1-CG1 4.47Å; I155-L281 HydrophobicContact CG2-CB 3.87Å; I155-L281 HydrophobicContact CG2-CD1 4.14Å; I155-L281 HydrophobicContact CG2-CG 4.27Å; I155-H282 HydrophobicContact CD1-CB 4.3Å; I155-I296 HydrophobicContact CD1-CD1 3.95Å; I155-I296 HydrophobicContact CG1-CD1 4.48Å
156S98.6Very high89.8Confident0 Ų034.2 Ų34.20%022%0.218CC..SBendtrans48.355.3-177.9-46.50000112.9S132 L244 D249 H279S132-S156 WeakPolarHBondContact CA-O 3.24Å; S132-S156 PolarHBondContact N-O 3Å; S156-L244 PolarHBondContact N-O 2.97Å; S156-D249 WeakPolarHBondContact CB-OD2 3.49Å; S156-H279 WeakPolarHBondContact CB-O 3.38Å; S156-H279 PolarHBondContact OG-O 3.33Å
157P98.7Very high88.4Confident4 Ų432.5 Ų32.53%0.02621%0.206CC..  trans-68.1147.4-172.631.3-37.3000112.2I139 L154 V159 L243 L260I139-P157 HydrophobicContact CD1-CB 4.28Å; L154-P157 HydrophobicContact CB-CB 4.24Å; L154-P157 HydrophobicContact CB-CG 3.99Å; L154-P157 HydrophobicContact CD1-CG 4.39Å; L154-P157 HydrophobicContact CD2-CB 4.49Å; P157-V159 VanDerWaalsContact C-N 3.3Å; P157-V159 HydrophobicContact CB-CG2 4.25Å; P157-V159 HydrophobicContact CG-CG2 4.03Å; P157-V159 PolarHBondContact O-N 2.89Å; P157-L243 VanDerWaalsContact CD-CD1 3.46Å; P157-L243 HydrophobicContact CG-CD1 3.51Å; P157-L260 HydrophobicContact CG-CD2 4.33Å
158L97.9Very high87Confident15 Ų1535.3 Ų35.38%0.07921%0.21CC..SBendtrans-7383.2173.4179.564.2000110.9S132 A136 A161 L223 V227S132-L158 PolarHBondContact O-N 2.98Å; A136-L158 HydrophobicContact CB-CB 4.1Å; A136-L158 WeakPolarHBondContact CB-O 3.41Å; L158-A161 HydrophobicContact CD1-CB 4.35Å; L158-L223 HydrophobicContact CD2-CB 4.35Å; L158-L223 HydrophobicContact CD2-CD2 4.04Å; L158-V227 HydrophobicContact CD1-CG2 3.88Å; L158-V227 HydrophobicContact CD2-CG2 4.35Å; L158-V227 HydrophobicContact CG-CG2 3.86Å
159V95.9Very high85Confident4 Ų439.8 Ų39.82%0.02423%0.229CC..SBendtrans-100.6-42.3172.8178.90000110.7I139 P157 V227 V230 L234 G256 L259 L260I139-V159 HydrophobicContact CD1-CG2 3.91Å; P157-V159 VanDerWaalsContact C-N 3.3Å; P157-V159 HydrophobicContact CB-CG2 4.25Å; P157-V159 HydrophobicContact CG-CG2 4.03Å; P157-V159 PolarHBondContact O-N 2.89Å; V159-V227 WeakPolarHBondContact O-CG1 3.38Å; V159-V230 HydrophobicContact CB-CG1 4.37Å; V159-V230 HydrophobicContact CG1-CG1 4.11Å; V159-V230 HydrophobicContact CG2-CG1 4.18Å; V159-L234 HydrophobicContact CG1-CD1 4.22Å; V159-G256 WeakPolarHBondContact CG1-O 3.48Å; V159-L259 HydrophobicContact CG1-CD2 4.47Å; V159-L260 HydrophobicContact CG1-CB 4.49Å; V159-L260 HydrophobicContact CG2-CB 4.31Å; V159-L260 HydrophobicContact CG2-CD2 4.14Å
160L88.4Confident83.7Confident53 Ų5344.5 Ų44.528%0.27725%0.249SC..SBendtrans-137.3124.6176.7-168.4141.4000108.4P163 D253L160-P163 HydrophobicContact CD2-CG 4.48Å; L160-D253 HydrophobicContact CD2-CB 3.9Å; L160-D253 PolarHBondContact O-N 2.69Å
161A78.3Confident82.4Confident26 Ų2644.5 Ų44.522%0.21525%0.245CC..BIsolated β-bridgetrans-76.4148.117600000110.4L158 A166L158-A161 HydrophobicContact CD1-CB 4.35Å; A161-A166 HydrophobicContact CB-CB 3.84Å
162N73.8Confident81.1Confident25 Ų2549.8 Ų49.813%0.13427%0.273CS..  trans-48.3123.6178-177.4-36.1000111.6E164 S165 A166 R250 L251N162-E164 PolarHBondContact O-N 2.98Å; N162-E164 VanDerWaalsContact O-N 3.16Å; N162-E164 WeakPolarHBondContact OD1-CB 3.5Å; N162-E164 PolarHBondContact OD1-N 3.33Å; N162-S165 PolarHBondContact O-N 3.32Å; N162-A166 PolarHBondContact O-N 3.08Å; N162-R250 WeakPolarHBondContact CB-O 3.41Å; N162-R250 PolarHBondContact ND2-O 2.78Å; N162-L251 PolarHBondContact N-O 3.33Å
163P68.2Low79.8Confident61 Ų6151.5 Ų51.540%0.39629%0.288SS..THydrogen-bonded Turntrans-54.9-33.2-178.4-26.633.9000114.5L160 A166 T167 D253L160-P163 HydrophobicContact CD2-CG 4.48Å; P163-A166 CarbonylContact O-C 3.53Å; P163-T167 WeakPolarHBondContact O-CG2 3.48Å; P163-T167 PolarHBondContact O-N 3.32Å; P163-T167 VanDerWaalsContact O-N 3.14Å; P163-D253 WeakPolarHBondContact CD-OD2 3.44Å
164E68.8Low78.6Confident150 Ų15052.2 Ų52.270%0.70129%0.293SS*.THydrogen-bonded Turntrans-71-33.6177.7-64.7-168.616700112.3N162 K170N162-E164 PolarHBondContact O-N 2.98Å; N162-E164 VanDerWaalsContact O-N 3.16Å; N162-E164 WeakPolarHBondContact OD1-CB 3.5Å; N162-E164 PolarHBondContact OD1-N 3.33Å; E164-K170 PolarHBondContact O-NZ 3.37Å
165S65.3Low77.6Confident81 Ų8157.9 Ų57.957%0.56632%0.318SS*.THydrogen-bonded Turntrans-81.1-33.4178-65.40000111.9N162 K170N162-S165 PolarHBondContact O-N 3.32Å; S165-K170 WeakPolarHBondContact O-CD 3.44Å
166A67.2Low76.6Confident27 Ų2762 Ų6222%0.22334%0.343CS..SBendtrans-117.741.1-17400000113.5A161 N162 P163 L224A161-A166 HydrophobicContact CB-CB 3.84Å; N162-A166 PolarHBondContact O-N 3.08Å; P163-A166 CarbonylContact O-C 3.53Å; A166-L224 HydrophobicContact CB-CD2 4.38Å
167T68.6Low75.6Confident54 Ų5465 Ų6533%0.33136%0.359SS..  trans-58.5148.8174.864.90000111P163 F169 K170 V171P163-T167 WeakPolarHBondContact O-CG2 3.48Å; P163-T167 PolarHBondContact O-N 3.32Å; P163-T167 VanDerWaalsContact O-N 3.14Å; T167-F169 PolarHBondContact O-N 3.08Å; T167-F169 VanDerWaalsContact O-N 3.07Å; T167-K170 WeakPolarHBondContact O-CA 3.37Å; T167-K170 PolarHBondContact O-N 2.76Å; T167-K170 WeakPolarHBondContact OG1-CB 3.45Å; T167-K170 VanDerWaalsContact OG1-CG 3.3Å; T167-K170 WeakPolarHBondContact OG1-CG 3.39Å; T167-K170 PolarHBondContact OG1-N 2.8Å; T167-V171 WeakPolarHBondContact O-CG2 3.48Å; T167-V171 PolarHBondContact O-N 3.41Å
168T66.4Low74.7Confident128 Ų12867 Ų6779%0.78537%0.369SS*.Hα-helixtrans-52.1-36.8179.6-47.60000112.5L172T168-L172 WeakPolarHBondContact O-CB 3.47Å; T168-L172 PolarHBondContact O-N 2.82Å
169F56.5Low73.8Confident164 Ų16473.2 Ų73.272%0.71940%0.402SS*.Hα-helixtrans-65.9-47.3174.8-179.3-98000112.5T167 V171 L172 A173T167-F169 PolarHBondContact O-N 3.08Å; T167-F169 VanDerWaalsContact O-N 3.07Å; F169-V171 VanDerWaalsContact C-N 3.3Å; F169-V171 PolarHBondContact O-N 3.28Å; F169-L172 PolarHBondContact O-N 3.41Å; F169-A173 WeakPolarHBondContact O-CB 3.44Å; F169-A173 PolarHBondContact O-N 3.02Å
170K71.3Confident73Confident108 Ų10878.1 Ų78.147%0.4743%0.431SS..Hα-helixtrans-63-37.7176.5-75.3178179.4-179.90111.8E164 S165 T167 A173 A174E164-K170 PolarHBondContact O-NZ 3.37Å; S165-K170 WeakPolarHBondContact O-CD 3.44Å; T167-K170 WeakPolarHBondContact O-CA 3.37Å; T167-K170 PolarHBondContact O-N 2.76Å; T167-K170 WeakPolarHBondContact OG1-CB 3.45Å; T167-K170 VanDerWaalsContact OG1-CG 3.3Å; T167-K170 WeakPolarHBondContact OG1-CG 3.39Å; T167-K170 PolarHBondContact OG1-N 2.8Å; K170-A173 PolarHBondContact O-N 2.96Å; K170-A174 VanDerWaalsContact O-CB 3.27Å; K170-A174 WeakPolarHBondContact O-CB 3.4Å; K170-A174 PolarHBondContact O-N 3.19Å
171V71.5Confident72.8Confident33 Ų3380 Ų8020%0.244%0.441CS..Hα-helixtrans-63.1-46.1174.7170.40000111.2T167 F169 A174 K175 L224T167-V171 WeakPolarHBondContact O-CG2 3.48Å; T167-V171 PolarHBondContact O-N 3.41Å; F169-V171 VanDerWaalsContact C-N 3.3Å; F169-V171 PolarHBondContact O-N 3.28Å; V171-A174 PolarHBondContact O-N 2.7Å; V171-K175 WeakPolarHBondContact O-CG 3.44Å; V171-K175 PolarHBondContact O-N 2.93Å; V171-L224 HydrophobicContact CB-CD1 4.38Å; V171-L224 HydrophobicContact CG1-CD1 4.04Å; V171-L224 HydrophobicContact CG2-CD1 3.96Å; V171-L224 HydrophobicContact CG2-CD2 3.96Å
172L71.3Confident72.8Confident111 Ų11181 Ų8158%0.58145%0.445SS*.Hα-helixtrans-64-45.2177.1-176.364000111.4T168 F169 A174 K175 V176T168-L172 WeakPolarHBondContact O-CB 3.47Å; T168-L172 PolarHBondContact O-N 2.82Å; F169-L172 PolarHBondContact O-N 3.41Å; L172-A174 VanDerWaalsContact C-N 3.33Å; L172-A174 PolarHBondContact O-N 3Å; L172-K175 PolarHBondContact O-N 3.22Å; L172-V176 WeakPolarHBondContact O-CG2 3.27Å; L172-V176 PolarHBondContact O-N 3.21Å; L172-V176 VanDerWaalsContact O-N 3.09Å
173A73.4Confident73.3Confident37 Ų3785 Ų8531%0.30647%0.467SS..Hα-helixtrans-60.5-41.9176.300000111.9F169 K170 K175 V176 L177F169-A173 WeakPolarHBondContact O-CB 3.44Å; F169-A173 PolarHBondContact O-N 3.02Å; K170-A173 PolarHBondContact O-N 2.96Å; A173-K175 PolarHBondContact O-N 2.98Å; A173-V176 PolarHBondContact O-N 2.92Å; A173-L177 WeakPolarHBondContact O-CB 3.28Å; A173-L177 WeakPolarHBondContact O-CG 3.43Å; A173-L177 PolarHBondContact O-N 3.43Å
174A73.6Confident74.1Confident15 Ų1585.9 Ų85.912%0.12447%0.468CS..Hα-helixtrans-62.2-40.8175.900000112.1K170 V171 L172 L177 N178K170-A174 VanDerWaalsContact O-CB 3.27Å; K170-A174 WeakPolarHBondContact O-CB 3.4Å; K170-A174 PolarHBondContact O-N 3.19Å; V171-A174 PolarHBondContact O-N 2.7Å; L172-A174 VanDerWaalsContact C-N 3.33Å; L172-A174 PolarHBondContact O-N 3Å; A174-L177 PolarHBondContact O-N 3.27Å; A174-N178 WeakPolarHBondContact O-CB 3.33Å; A174-N178 PolarHBondContact O-N 2.86Å
175K76.8Confident74.9Confident119 Ų11981.6 Ų81.652%0.51745%0.454SS..Hα-helixtrans-61.7-43.3175.4-73.8-180179.1-176.70112.3V171 L172 A173 N178V171-K175 WeakPolarHBondContact O-CG 3.44Å; V171-K175 PolarHBondContact O-N 2.93Å; L172-K175 PolarHBondContact O-N 3.22Å; A173-K175 PolarHBondContact O-N 2.98Å; K175-N178 PolarHBondContact O-N 2.87Å
176V77.6Confident75.5Confident87 Ų8782.5 Ų82.553%0.52745%0.453SS..Hα-helixtrans-66-46.6176176.30000110.5L172 A173 N178 L179L172-V176 WeakPolarHBondContact O-CG2 3.27Å; L172-V176 PolarHBondContact O-N 3.21Å; L172-V176 VanDerWaalsContact O-N 3.09Å; A173-V176 PolarHBondContact O-N 2.92Å; V176-N178 VanDerWaalsContact C-N 3.26Å; V176-N178 PolarHBondContact O-N 2.89Å; V176-L179 PolarHBondContact O-N 2.81Å; V176-L179 VanDerWaalsContact O-N 3.15Å
177L77.2Confident76Confident63 Ų6382.8 Ų82.833%0.3346%0.458SS..Hα-helixtrans-60.3-34.8178.1-78.7169.4000112.4A173 A174 L179 V180 L181 V217A173-L177 WeakPolarHBondContact O-CB 3.28Å; A173-L177 WeakPolarHBondContact O-CG 3.43Å; A173-L177 PolarHBondContact O-N 3.43Å; A174-L177 PolarHBondContact O-N 3.27Å; L177-L179 PolarHBondContact O-N 2.96Å; L177-V180 PolarHBondContact O-N 3.39Å; L177-V180 VanDerWaalsContact O-N 3.14Å; L177-L181 CarbonylContact O-C 3.26Å; L177-L181 WeakPolarHBondContact O-CA 3.19Å; L177-L181 PolarHBondContact O-N 3.45Å; L177-V217 HydrophobicContact CB-CG1 4.22Å
178N79.9Confident76.6Confident45 Ų4584.5 Ų84.524%0.24147%0.47CS..Hα-helixtrans-66-25.4178.5-172.567.7000114.1A174 K175 V176 V180 P182 V217 C218 I221A174-N178 WeakPolarHBondContact O-CB 3.33Å; A174-N178 PolarHBondContact O-N 2.86Å; K175-N178 PolarHBondContact O-N 2.87Å; V176-N178 VanDerWaalsContact C-N 3.26Å; V176-N178 PolarHBondContact O-N 2.89Å; N178-V180 VanDerWaalsContact C-N 3.31Å; N178-P182 WeakPolarHBondContact O-CB 3.19Å; N178-V217 HydrophobicContact CB-CG1 3.83Å; N178-C218 VanDerWaalsContact OD1-CA 3.28Å; N178-C218 WeakPolarHBondContact OD1-CA 3.47Å; N178-C218 WeakPolarHBondContact OD1-CB 3.43Å; N178-I221 HydrophobicContact CB-CD1 3.17Å; N178-I221 HydrophobicContact CB-CG1 4.47Å
179L79.1Confident77.2Confident146 Ų14682.3 Ų82.376%0.76445%0.453SS*.Hα-helixtrans-74.7-25.3176-62.7174.2000112.2V176 L177V176-L179 PolarHBondContact O-N 2.81Å; V176-L179 VanDerWaalsContact O-N 3.15Å; L177-L179 PolarHBondContact O-N 2.96Å
180V79.9Confident78.7Confident107 Ų10778.9 Ų78.965%0.64844%0.442SS*.Hα-helixtrans-110.3-40-171.3-169.50000112L177 N178L177-V180 PolarHBondContact O-N 3.39Å; L177-V180 VanDerWaalsContact O-N 3.14Å; N178-V180 VanDerWaalsContact C-N 3.31Å
181L83.6Confident79.5Confident92 Ų9274.5 Ų74.548%0.48243%0.425SS..  trans-141.762.8-173.9-62.7174.3000111.5L177 N183 L184L177-L181 CarbonylContact O-C 3.26Å; L177-L181 WeakPolarHBondContact O-CA 3.19Å; L177-L181 PolarHBondContact O-N 3.45Å; L181-N183 PolarHBondContact O-N 2.92Å; L181-L184 HydrophobicContact CB-CB 4.12Å; L181-L184 WeakPolarHBondContact O-CB 3.35Å; L181-L184 PolarHBondContact O-N 3.5Å; L181-L184 VanDerWaalsContact O-N 3.14Å
182P79.6Confident80.5Confident47 Ų4775.9 Ų75.931%0.30544%0.436SS..THydrogen-bonded Turntrans-61-27.8-177.223.7-33.6000113.9N178 L184 C218N178-P182 WeakPolarHBondContact O-CB 3.19Å; P182-L184 VanDerWaalsContact C-N 3.35Å; P182-C218 HydrophobicContact CB-CB 4.17Å; P182-C218 PolarHBondContact O-N 3.46Å; P182-C218 VanDerWaalsContact O-N 3.13Å; P182-C218 PolarHBondContact O-SG 3.15Å
183N83.7Confident81.4Confident110 Ų11071.5 Ų71.559%0.58841%0.414SS*.THydrogen-bonded Turntrans-891.7-177.9-64.1-20.9000113.6L181L181-N183 PolarHBondContact O-N 2.92Å
184L85.8Confident82.4Confident79 Ų7970.4 Ų70.441%0.41440%0.403SS..  trans-64.3137.5175-175.769000110L181 P182 K216 V217L181-L184 HydrophobicContact CB-CB 4.12Å; L181-L184 WeakPolarHBondContact O-CB 3.35Å; L181-L184 PolarHBondContact O-N 3.5Å; L181-L184 VanDerWaalsContact O-N 3.14Å; P182-L184 VanDerWaalsContact C-N 3.35Å; L184-K216 WeakPolarHBondContact O-CA 3.05Å; L184-V217 HydrophobicContact CB-CG2 4.13Å; L184-V217 WeakPolarHBondContact O-CG2 3.09Å; L184-V217 PolarHBondContact O-N 2.91Å
185S85.9Confident83.5Confident60 Ų6070.1 Ų70.142%0.4240%0.4SS..BIsolated β-bridgetrans-97.4131179.1-172.30000110.6G187 G214S185-G187 VanDerWaalsContact C-N 3.3Å; S185-G187 PolarHBondContact O-N 2.93Å; S185-G214 WeakPolarHBondContact OG-CA 3.46Å; S185-G214 PolarHBondContact OG-O 3.45Å
186L77.5Confident84.6Confident101 Ų10168.1 Ų68.153%0.52939%0.389SS..  trans-8911.2-178-63.4175.5000113.9L215 V217L186-L215 PolarHBondContact N-O 3Å; L186-V217 HydrophobicContact CD1-CG2 4.15Å; L186-V217 HydrophobicContact CD2-CG2 3.9Å; L186-V217 HydrophobicContact CG-CG2 3.9Å
187G76.9Confident85.5Confident33 Ų3365.5 Ų65.534%0.3437%0.372SS..  trans91.4152.8-174.900000112.8S185 G214 L215S185-G187 VanDerWaalsContact C-N 3.3Å; S185-G187 PolarHBondContact O-N 2.93Å; G187-G214 WeakPolarHBondContact O-CA 3.38Å; G187-L215 PolarHBondContact O-N 3.13Å; G187-L215 VanDerWaalsContact O-N 3.16Å
188P82.1Confident86.5Confident90 Ų9070.5 Ų70.558%0.58439%0.391SS*.  trans-73.3156.4178.232-35000111.4R212P188-R212 WeakPolarHBondContact CB-O 3.41Å
189I78.8Confident87.4Confident82 Ų8272.8 Ų72.842%0.42141%0.407SS..  trans-68.4132.4168.5-61.2172.2000107.8S191 L194 L251I189-S191 PolarHBondContact O-N 2.92Å; I189-S191 VanDerWaalsContact O-N 3.14Å; I189-L194 HydrophobicContact CG2-CD2 4.14Å; I189-L251 HydrophobicContact CG2-CD1 4.24Å; I189-L251 HydrophobicContact CG2-CD2 4.15Å
190D86.5Confident88.3Confident91 Ų9167.4 Ų67.449%0.48738%0.378SS..  trans-66.7109.3169.9180-4.4000109.3S192 V193D190-S192 PolarHBondContact O-N 2.73Å; D190-S192 VanDerWaalsContact O-N 3.11Å; D190-S192 VanDerWaalsContact OD1-CB 3.28Å; D190-S192 WeakPolarHBondContact OD1-CB 3.34Å; D190-S192 PolarHBondContact OD1-N 2.84Å; D190-S192 PolarHBondContact OD1-OG 3.26Å; D190-S192 PolarHBondContact OD2-OG 2.9Å; D190-V193 WeakPolarHBondContact O-CG2 3.36Å; D190-V193 PolarHBondContact O-N 3.47Å
191S88.8Confident89.2Confident17 Ų1763 Ų6312%0.11935%0.351CS..G310 helixtrans-60.1-24.2-178.461.20000113I189 V193 L194 N205I189-S191 PolarHBondContact O-N 2.92Å; I189-S191 VanDerWaalsContact O-N 3.14Å; S191-V193 PolarHBondContact O-N 3.34Å; S191-L194 VanDerWaalsContact O-CB 3.24Å; S191-L194 WeakPolarHBondContact O-CB 3.5Å; S191-L194 WeakPolarHBondContact O-CG 3.34Å; S191-L194 PolarHBondContact O-N 3.45Å; S191-L194 VanDerWaalsContact O-N 3.1Å; S191-N205 WeakPolarHBondContact CB-OD1 3.35Å; S191-N205 PolarHBondContact OG-ND2 3.13Å; S191-N205 PolarHBondContact OG-OD1 3.02Å
192S91.7Very high89.9Confident62 Ų6263.5 Ų63.543%0.43435%0.354SS..G310 helixtrans-68.4-18.8-178.374.30000113.4D190 L194D190-S192 PolarHBondContact O-N 2.73Å; D190-S192 VanDerWaalsContact O-N 3.11Å; D190-S192 VanDerWaalsContact OD1-CB 3.28Å; D190-S192 WeakPolarHBondContact OD1-CB 3.34Å; D190-S192 PolarHBondContact OD1-N 2.84Å; D190-S192 PolarHBondContact OD1-OG 3.26Å; D190-S192 PolarHBondContact OD2-OG 2.9Å; S192-L194 VanDerWaalsContact C-N 3.33Å
193V91.6Very high90.8Very high19 Ų1965 Ų6512%0.11536%0.359CS..G310 helixtrans-87.4-3.1174.8-55.40000113.3D190 S191 R250 Y278D190-V193 WeakPolarHBondContact O-CG2 3.36Å; D190-V193 PolarHBondContact O-N 3.47Å; S191-V193 PolarHBondContact O-N 3.34Å; V193-R250 HydrophobicContact CB-CB 4.43Å; V193-Y278 WeakPolarHBondContact O-CD2 3.47Å
194L93.3Very high91.4Very high14 Ų1461.3 Ų61.37%0.07334%0.337CS..THydrogen-bonded Turntrans-78.9-38.8-178.4-61.9-179.1000112.5I189 S191 S192 Y204 L251 Y278 H279 V280I189-L194 HydrophobicContact CG2-CD2 4.14Å; S191-L194 VanDerWaalsContact O-CB 3.24Å; S191-L194 WeakPolarHBondContact O-CB 3.5Å; S191-L194 WeakPolarHBondContact O-CG 3.34Å; S191-L194 PolarHBondContact O-N 3.45Å; S191-L194 VanDerWaalsContact O-N 3.1Å; S192-L194 VanDerWaalsContact C-N 3.33Å; L194-Y204 HydrophobicContact CD1-CD1 4.1Å; L194-Y204 HydrophobicContact CD1-CD2 4.2Å; L194-Y204 HydrophobicContact CD1-CE1 3.8Å; L194-Y204 HydrophobicContact CD1-CE2 3.91Å; L194-Y204 HydrophobicContact CD1-CG 4.31Å; L194-L251 HydrophobicContact CD2-CD1 3.35Å; L194-Y278 WeakPolarHBondContact O-CB 3.21Å; L194-H279 PolarHBondContact O-N 2.98Å; L194-H279 VanDerWaalsContact O-N 3.13Å; L194-V280 HydrophobicContact CB-CG2 3.84Å; L194-V280 HydrophobicContact CD2-CG2 4.42Å; L194-V280 PolarHBondContact O-N 3.01Å
195S98.1Very high92Very high8 Ų859.8 Ų59.86%0.05633%0.329CS..  trans-153144.6-175.7177.70000110.7N197 K283 E284S195-N197 WeakPolarHBondContact OG-CB 3.44Å; S195-N197 PolarHBondContact OG-N 3.47Å; S195-K283 WeakPolarHBondContact CB-O 3.42Å; S195-K283 PolarHBondContact OG-O 3.26Å; S195-E284 WeakPolarHBondContact OG-CA 3.5Å
196R98.3Very high92.5Very high78 Ų7861.1 Ų61.129%0.29434%0.339SS..SBendtrans-74.2-17.2168.7-63.6172.3-61.3171.37.6112.7K198 G276 Y278 E284 L285R196-K198 PolarHBondContact O-N 3.11Å; R196-G276 WeakPolarHBondContact CD-O 3.3Å; R196-G276 VanDerWaalsContact CZ-O 3.26Å; R196-G276 PolarHBondContact NE-O 2.94Å; R196-G276 PolarHBondContact NH1-O 3.42Å; R196-Y278 HydrophobicContact CG-CD1 3.82Å; R196-Y278 HydrophobicContact CG-CD2 3.86Å; R196-Y278 HydrophobicContact CG-CE1 3.7Å; R196-Y278 HydrophobicContact CG-CE2 3.76Å; R196-Y278 HydrophobicContact CG-CG 3.89Å; R196-E284 WeakPolarHBondContact CG-OE1 3.47Å; R196-E284 IonicContact CZ-OE2 3.3Å; R196-E284 VanDerWaalsContact CZ-OE2 3.3Å; R196-E284 PolarHBondContact N-OE1 3.39Å; R196-E284 IonicContact NE-OE1 3.17Å; R196-E284 PolarHBondContact NE-OE1 2.95Å; R196-E284 VanDerWaalsContact NE-OE1 3.17Å; R196-E284 IonicContact NE-OE2 2.94Å; R196-E284 PolarHBondContact NE-OE2 3.14Å; R196-E284 IonicContact NH2-OE2 2.78Å; R196-E284 PolarHBondContact NH2-OE2 2.73Å; R196-L285 HydrophobicContact CB-CD1 4.29Å; R196-L285 HydrophobicContact CB-CD2 4.33Å; R196-L285 HydrophobicContact CB-CG 4.05Å
197N98.3Very high93.5Very high31 Ų3157.5 Ų57.517%0.16632%0.32CS..  trans-79.2100.3177-174-17000110.1S195 T199 E200 V201 E284 L285S195-N197 WeakPolarHBondContact OG-CB 3.44Å; S195-N197 PolarHBondContact OG-N 3.47Å; N197-T199 VanDerWaalsContact C-N 3.27Å; N197-T199 PolarHBondContact O-N 2.86Å; N197-T199 PolarHBondContact OD1-N 3.13Å; N197-E200 HydrophobicContact CB-CB 4.2Å; N197-E200 HydrophobicContact CB-CG 4.23Å; N197-E200 PolarHBondContact O-N 2.86Å; N197-E200 VanDerWaalsContact O-N 3.12Å; N197-E200 PolarHBondContact OD1-N 3.05Å; N197-V201 PolarHBondContact O-N 3.15Å; N197-V201 VanDerWaalsContact O-N 3.12Å; N197-E284 WeakPolarHBondContact CB-O 3.37Å; N197-E284 PolarHBondContact ND2-O 2.8Å; N197-E284 VanDerWaalsContact ND2-O 3.11Å; N197-L285 HydrophobicContact CB-CD2 4.28Å
198K98.1Very high94.5Very high169 Ų16961.6 Ų61.674%0.73534%0.34SS*.Hα-helixtrans-60.1-34.8-176.9-65.7-174.7179179.70113.3R196 E200 V201 D202R196-K198 PolarHBondContact O-N 3.11Å; K198-E200 VanDerWaalsContact C-N 3.31Å; K198-E200 PolarHBondContact O-N 2.8Å; K198-V201 WeakPolarHBondContact O-CB 3.44Å; K198-V201 PolarHBondContact O-N 3.23Å; K198-D202 PolarHBondContact O-N 3.26Å
199T98.4Very high95.3Very high92 Ų9258.9 Ų58.956%0.56432%0.321SS*.Hα-helixtrans-62.6-41.4177.3-57.50000111.1N197 V201 D202 I203N197-T199 VanDerWaalsContact C-N 3.27Å; N197-T199 PolarHBondContact O-N 2.86Å; N197-T199 PolarHBondContact OD1-N 3.13Å; T199-V201 VanDerWaalsContact C-N 3.34Å; T199-D202 PolarHBondContact O-N 2.57Å; T199-I203 HydrophobicContact CG2-CD1 4.19Å; T199-I203 VanDerWaalsContact O-CG1 3.3Å; T199-I203 WeakPolarHBondContact O-CG1 3.31Å; T199-I203 PolarHBondContact O-N 3.37Å
200E98.1Very high96.2Very high33 Ų3355.6 Ų55.615%0.15430%0.304CS..Hα-helixtrans-69.8-32.7176.7-70.7-66.3175.800112.6N197 K198 I203 Y204 K283N197-E200 HydrophobicContact CB-CB 4.2Å; N197-E200 HydrophobicContact CB-CG 4.23Å; N197-E200 PolarHBondContact O-N 2.86Å; N197-E200 VanDerWaalsContact O-N 3.12Å; N197-E200 PolarHBondContact OD1-N 3.05Å; K198-E200 VanDerWaalsContact C-N 3.31Å; K198-E200 PolarHBondContact O-N 2.8Å; E200-I203 PolarHBondContact O-N 3.43Å; E200-Y204 WeakPolarHBondContact O-CB 3.27Å; E200-Y204 PolarHBondContact O-N 3.48Å; E200-K283 HydrophobicContact CB-CB 4.13Å; E200-K283 WeakPolarHBondContact CB-O 3.45Å; E200-K283 HydrophobicContact CG-CB 4.06Å; E200-K283 HydrophobicContact CG-CD 4.47Å; E200-K283 IonicContact OE1-NZ 3.11Å; E200-K283 WeakPolarHBondContact OE2-CD 3.37Å; E200-K283 IonicContact OE2-NZ 2.63Å
201V97.9Very high96.6Very high16 Ų1652.6 Ų52.610%0.09729%0.289CS..Hα-helixtrans-64.3-41.7171175.50000111N197 K198 T199 Y204 N205N197-V201 PolarHBondContact O-N 3.15Å; N197-V201 VanDerWaalsContact O-N 3.12Å; K198-V201 WeakPolarHBondContact O-CB 3.44Å; K198-V201 PolarHBondContact O-N 3.23Å; T199-V201 VanDerWaalsContact C-N 3.34Å; V201-Y204 WeakPolarHBondContact O-CB 3.24Å; V201-Y204 PolarHBondContact O-N 3.49Å; V201-N205 WeakPolarHBondContact O-CB 3.42Å; V201-N205 PolarHBondContact O-N 2.69Å; V201-N205 PolarHBondContact O-ND2 2.92Å
202D98.1Very high96.7Very high102 Ų10258.4 Ų58.455%0.54531%0.309SS..Hα-helixtrans-67-39.7176.9-67.5-28.8000111.8K198 T199 N205 S206K198-D202 PolarHBondContact O-N 3.26Å; T199-D202 PolarHBondContact O-N 2.57Å; D202-N205 PolarHBondContact O-N 3.4Å; D202-S206 WeakPolarHBondContact O-CB 3.25Å; D202-S206 PolarHBondContact O-N 2.79Å; D202-S206 PolarHBondContact O-OG 2.72Å
203I98.3Very high96.5Very high77 Ų7758.6 Ų58.640%0.39532%0.315SS..Hα-helixtrans-61.3-46172.4-68.7166.1000110.2T199 E200 N205 S206 D207T199-I203 HydrophobicContact CG2-CD1 4.19Å; T199-I203 VanDerWaalsContact O-CG1 3.3Å; T199-I203 WeakPolarHBondContact O-CG1 3.31Å; T199-I203 PolarHBondContact O-N 3.37Å; E200-I203 PolarHBondContact O-N 3.43Å; I203-N205 VanDerWaalsContact C-N 3.32Å; I203-N205 PolarHBondContact O-N 2.94Å; I203-S206 PolarHBondContact O-N 3.22Å; I203-S206 PolarHBondContact O-OG 3.14Å; I203-D207 PolarHBondContact O-N 3.18Å; I203-D207 VanDerWaalsContact O-N 3.16Å
204Y97.7Very high96.1Very high33 Ų3358.4 Ų58.413%0.12932%0.316CS..Hα-helixtrans-59-43.6174.9178.5-85.6000111.6L194 E200 V201 S206 I210L194-Y204 HydrophobicContact CD1-CD1 4.1Å; L194-Y204 HydrophobicContact CD1-CD2 4.2Å; L194-Y204 HydrophobicContact CD1-CE1 3.8Å; L194-Y204 HydrophobicContact CD1-CE2 3.91Å; L194-Y204 HydrophobicContact CD1-CG 4.31Å; E200-Y204 WeakPolarHBondContact O-CB 3.27Å; E200-Y204 PolarHBondContact O-N 3.48Å; V201-Y204 WeakPolarHBondContact O-CB 3.24Å; V201-Y204 PolarHBondContact O-N 3.49Å; Y204-S206 VanDerWaalsContact C-N 3.31Å; Y204-S206 PolarHBondContact O-N 2.75Å; Y204-I210 HydrophobicContact CD1-CD1 4.45Å; Y204-I210 HydrophobicContact CD2-CD1 3.32Å; Y204-I210 HydrophobicContact CE1-CG2 4.06Å; Y204-I210 HydrophobicContact CE2-CD1 3.52Å; Y204-I210 HydrophobicContact CE2-CG2 3.95Å; Y204-I210 HydrophobicContact CG-CD1 3.82Å; Y204-I210 WeakPolarHBondContact O-CD1 3.35Å
205N97.1Very high95.9Very high47 Ų4759.7 Ų59.725%0.25132%0.323SS..Hα-helixtrans-73.1-19.7-178.6-76.5-31.6000114.4S191 V201 D202 I203 R212S191-N205 WeakPolarHBondContact CB-OD1 3.35Å; S191-N205 PolarHBondContact OG-ND2 3.13Å; S191-N205 PolarHBondContact OG-OD1 3.02Å; V201-N205 WeakPolarHBondContact O-CB 3.42Å; V201-N205 PolarHBondContact O-N 2.69Å; V201-N205 PolarHBondContact O-ND2 2.92Å; D202-N205 PolarHBondContact O-N 3.4Å; I203-N205 VanDerWaalsContact C-N 3.32Å; I203-N205 PolarHBondContact O-N 2.94Å; N205-R212 PolarHBondContact O-NH1 3.23Å; N205-R212 PolarHBondContact O-NH2 3.31Å
206S97.7Very high95.5Very high89 Ų8961.6 Ų61.662%0.62233%0.33SS*.Hα-helixtrans-99.6-7.8179.251.60000113.6D202 I203 Y204 P208D202-S206 WeakPolarHBondContact O-CB 3.25Å; D202-S206 PolarHBondContact O-N 2.79Å; D202-S206 PolarHBondContact O-OG 2.72Å; I203-S206 PolarHBondContact O-N 3.22Å; I203-S206 PolarHBondContact O-OG 3.14Å; Y204-S206 VanDerWaalsContact C-N 3.31Å; Y204-S206 PolarHBondContact O-N 2.75Å; S206-P208 WeakPolarHBondContact O-CD 3.43Å
207D98.4Very high95.1Very high25 Ų2557.9 Ų57.913%0.13432%0.316CS..  trans-69.1116.4179.9-169.2-27000111.5H64 R67 I203 L209 I210H64-D207 IonicContact CD2-OD2 3.14Å; H64-D207 IonicContact NE2-OD1 2.71Å; H64-D207 IonicContact NE2-OD2 3.2Å; H64-D207 PolarHBondContact NE2-OD2 2.85Å; R67-D207 IonicContact NH1-OD2 2.73Å; R67-D207 PolarHBondContact NH1-OD2 3.3Å; I203-D207 PolarHBondContact O-N 3.18Å; I203-D207 VanDerWaalsContact O-N 3.16Å; D207-L209 PolarHBondContact O-N 3.47Å; D207-L209 WeakPolarHBondContact OD1-CB 3.36Å; D207-L209 PolarHBondContact OD1-N 3.25Å; D207-I210 HydrophobicContact CB-CB 4.36Å; D207-I210 HydrophobicContact CB-CD1 3.65Å; D207-I210 HydrophobicContact CB-CG1 3.75Å; D207-I210 PolarHBondContact O-N 3.26Å
208P97.9Very high94.7Very high119 Ų11957.4 Ų57.477%0.77332%0.315SS*.THydrogen-bonded Turntrans-73.1-12.5-176.531.7-36.5000113.4S206S206-P208 WeakPolarHBondContact O-CD 3.43Å
209L98.4Very high94.5Very high33 Ų3349.3 Ų49.317%0.17328%0.28CS..THydrogen-bonded Turntrans-92.4-8.1-179.6-63.3179.3000112.6Q22 H64 Q92 D207Q22-L209 HydrophobicContact CG-CD2 3.81Å; H64-L209 VanDerWaalsContact CD2-CB 3.47Å; H64-L209 WeakPolarHBondContact CD2-CB 3.47Å; H64-L209 VanDerWaalsContact CE1-CD1 3.44Å; H64-L209 WeakPolarHBondContact CE1-CD1 3.39Å; Q92-L209 HydrophobicContact CG-CD1 4.08Å; Q92-L209 HydrophobicContact CG-CD2 3.79Å; D207-L209 PolarHBondContact O-N 3.47Å; D207-L209 WeakPolarHBondContact OD1-CB 3.36Å; D207-L209 PolarHBondContact OD1-N 3.25Å
210I97.7Very high94.1Very high13 Ų1345.5 Ų45.57%0.06726%0.259CS..SBendtrans-84.1130.5176.9-63.8-175.4000110.9G62 Y204 D207 R212G62-I210 CarbonylContact O-C 3.53Å; G62-I210 VanDerWaalsContact O-CA 3.31Å; G62-I210 WeakPolarHBondContact O-CA 3.44Å; G62-I210 WeakPolarHBondContact O-CG2 3.48Å; Y204-I210 HydrophobicContact CD1-CD1 4.45Å; Y204-I210 HydrophobicContact CD2-CD1 3.32Å; Y204-I210 HydrophobicContact CE1-CG2 4.06Å; Y204-I210 HydrophobicContact CE2-CD1 3.52Å; Y204-I210 HydrophobicContact CE2-CG2 3.95Å; Y204-I210 HydrophobicContact CG-CD1 3.82Å; Y204-I210 WeakPolarHBondContact O-CD1 3.35Å; D207-I210 HydrophobicContact CB-CB 4.36Å; D207-I210 HydrophobicContact CB-CD1 3.65Å; D207-I210 HydrophobicContact CB-CG1 3.75Å; D207-I210 PolarHBondContact O-N 3.26Å; I210-R212 HydrophobicContact CG2-CG 3.92Å; I210-R212 PolarHBondContact O-N 2.98Å
211C95Very high93.8Very high27 Ų2744.9 Ų44.918%0.18226%0.256CS..  trans-80.2104.1170-167.30000110G62 M98G62-C211 PolarHBondContact O-N 2.75Å; M98-C211 HydrophobicContact CG-CB 3.79Å; M98-C211 HydrophobicContact SD-CB 3.68Å
212R90.9Very high93.7Very high139 Ų13945.2 Ų45.253%0.52526%0.257SS..  trans-95.98.5173.7-61.7-178.2-67.5165.7-9.1113.2P188 N205 I210P188-R212 WeakPolarHBondContact CB-O 3.41Å; N205-R212 PolarHBondContact O-NH1 3.23Å; N205-R212 PolarHBondContact O-NH2 3.31Å; I210-R212 HydrophobicContact CG2-CG 3.92Å; I210-R212 PolarHBondContact O-N 2.98Å
213A88.1Confident93.5Very high67 Ų6741.9 Ų41.955%0.55424%0.239SC*.SBendtrans-67.4153171.500000109.5
214G82.8Confident93.2Very high14 Ų1440.4 Ų40.414%0.14423%0.231CC..PPolyproline II helixtrans-66.4150.2178.900000113S185 G187 K216S185-G214 WeakPolarHBondContact OG-CA 3.46Å; S185-G214 PolarHBondContact OG-O 3.45Å; G187-G214 WeakPolarHBondContact O-CA 3.38Å; G214-K216 PolarHBondContact O-N 3.24Å
215L87.9Confident93.1Very high42 Ų4241.3 Ų41.322%0.2224%0.238CC..PPolyproline II helixtrans-60.3117-176.9-170.175000110.8M98 L186 G187 F219 L223M98-L215 HydrophobicContact CE-CD1 3.9Å; L186-L215 PolarHBondContact N-O 3Å; G187-L215 PolarHBondContact O-N 3.13Å; G187-L215 VanDerWaalsContact O-N 3.16Å; L215-F219 HydrophobicContact CD1-CD1 3.56Å; L215-F219 HydrophobicContact CD1-CE1 4.18Å; L215-L223 HydrophobicContact CD1-CD1 4.06Å; L215-L223 HydrophobicContact CD2-CD1 4.32Å
216K90.3Very high93.1Very high47 Ų4739 Ų3920%0.20423%0.226CC..BIsolated β-bridgetrans-66.7142.5174.3-73.4173.9177.7168.50110.7E96 V99 L184 G214 C218 F219 G220E96-K216 IonicContact OE1-NZ 2.95Å; E96-K216 PolarHBondContact OE1-NZ 3.06Å; V99-K216 HydrophobicContact CG2-CD 3.53Å; L184-K216 WeakPolarHBondContact O-CA 3.05Å; G214-K216 PolarHBondContact O-N 3.24Å; K216-C218 VanDerWaalsContact C-N 3.28Å; K216-C218 PolarHBondContact O-N 3.18Å; K216-F219 PolarHBondContact O-N 3.3Å; K216-F219 VanDerWaalsContact O-N 3.12Å; K216-G220 PolarHBondContact O-N 2.93Å
217V89.3Confident93Very high1 Ų136.2 Ų36.21%0.00621%0.205CC..Hα-helixtrans-54.5-44.6179170.30000111.4L177 N178 L184 L186 F219 G220 I221L177-V217 HydrophobicContact CB-CG1 4.22Å; N178-V217 HydrophobicContact CB-CG1 3.83Å; L184-V217 HydrophobicContact CB-CG2 4.13Å; L184-V217 WeakPolarHBondContact O-CG2 3.09Å; L184-V217 PolarHBondContact O-N 2.91Å; L186-V217 HydrophobicContact CD1-CG2 4.15Å; L186-V217 HydrophobicContact CD2-CG2 3.9Å; L186-V217 HydrophobicContact CG-CG2 3.9Å; V217-F219 VanDerWaalsContact C-N 3.32Å; V217-F219 PolarHBondContact O-N 3.28Å; V217-G220 PolarHBondContact O-N 3.06Å; V217-I221 PolarHBondContact O-N 3.2Å
218C90Very high92.8Very high20 Ų2037.3 Ų37.314%0.13522%0.215CC..Hα-helixtrans-59.1-41.5178.960.50000112.9N178 P182 K216 I221 Q222N178-C218 VanDerWaalsContact OD1-CA 3.28Å; N178-C218 WeakPolarHBondContact OD1-CA 3.47Å; N178-C218 WeakPolarHBondContact OD1-CB 3.43Å; P182-C218 HydrophobicContact CB-CB 4.17Å; P182-C218 PolarHBondContact O-N 3.46Å; P182-C218 VanDerWaalsContact O-N 3.13Å; P182-C218 PolarHBondContact O-SG 3.15Å; K216-C218 VanDerWaalsContact C-N 3.28Å; K216-C218 PolarHBondContact O-N 3.18Å; C218-I221 PolarHBondContact O-N 3.32Å; C218-Q222 PolarHBondContact O-N 3.32Å
219F94.1Very high92.8Very high0 Ų034.5 Ų34.50%019%0.189CC..Hα-helixtrans-73.7-37.4177.8-169.2-111.4000112.1A61 M98 V100 F106 M133 L215 K216 V217 I221 Q222 L223A61-F219 HydrophobicContact CB-CE1 4.12Å; A61-F219 HydrophobicContact CB-CZ 4.48Å; M98-F219 HydrophobicContact CB-CD1 4.25Å; M98-F219 HydrophobicContact CB-CE1 4.37Å; M98-F219 HydrophobicContact CE-CD1 4Å; M98-F219 HydrophobicContact CE-CE1 3.68Å; M98-F219 WeakPolarHBondContact O-CB 3.3Å; M98-F219 WeakPolarHBondContact O-CD2 3.35Å; M98-F219 WeakPolarHBondContact O-CG 3.46Å; V100-F219 HydrophobicContact CG1-CD2 4.08Å; V100-F219 HydrophobicContact CG1-CE2 4.05Å; F106-F219 HydrophobicContact CE2-CE2 4.06Å; F106-F219 AromaticContact CZ-CE2 3.98Å; F106-F219 HydrophobicContact CZ-CE2 3.98Å; M133-F219 HydrophobicContact SD-CE1 4.39Å; M133-F219 HydrophobicContact SD-CZ 3.66Å; L215-F219 HydrophobicContact CD1-CD1 3.56Å; L215-F219 HydrophobicContact CD1-CE1 4.18Å; K216-F219 PolarHBondContact O-N 3.3Å; K216-F219 VanDerWaalsContact O-N 3.12Å; V217-F219 VanDerWaalsContact C-N 3.32Å; V217-F219 PolarHBondContact O-N 3.28Å; F219-I221 PolarHBondContact O-N 2.84Å; F219-Q222 WeakPolarHBondContact O-CA 3.27Å; F219-Q222 WeakPolarHBondContact O-CB 3.16Å; F219-Q222 PolarHBondContact O-N 2.75Å; F219-L223 HydrophobicContact CD1-CD1 4.34Å; F219-L223 HydrophobicContact CD1-CG 4.42Å; F219-L223 HydrophobicContact CE1-CD1 4.2Å; F219-L223 HydrophobicContact CE1-CD2 4.2Å; F219-L223 HydrophobicContact CE1-CG 4.24Å; F219-L223 HydrophobicContact CZ-CD2 4.34Å; F219-L223 PolarHBondContact O-N 3.4Å
220G91.1Very high92.8Very high12 Ų1233 Ų3312%0.12418%0.181CC..Hα-helixtrans-55.9-38.6170.700000112.7K216 V217 L223 L224K216-G220 PolarHBondContact O-N 2.93Å; V217-G220 PolarHBondContact O-N 3.06Å; G220-L223 PolarHBondContact O-N 2.96Å; G220-L224 WeakPolarHBondContact O-CG 3.36Å; G220-L224 PolarHBondContact O-N 2.92Å
221I90.8Very high92.7Very high20 Ų2038 Ų3810%0.10320%0.204CC..Hα-helixtrans-64.4-40.2172.4-73.7-178.4000112N178 V217 C218 F219 L223 L224 N225N178-I221 HydrophobicContact CB-CD1 3.17Å; N178-I221 HydrophobicContact CB-CG1 4.47Å; V217-I221 PolarHBondContact O-N 3.2Å; C218-I221 PolarHBondContact O-N 3.32Å; F219-I221 PolarHBondContact O-N 2.84Å; I221-L223 VanDerWaalsContact C-N 3.3Å; I221-L223 PolarHBondContact O-N 2.85Å; I221-L224 PolarHBondContact O-N 3.4Å; I221-N225 VanDerWaalsContact O-CG 3.24Å; I221-N225 PolarHBondContact O-N 3.45Å; I221-N225 PolarHBondContact O-ND2 3.13Å
222Q95.9Very high92.9Very high22 Ų2244.3 Ų44.310%0.10322%0.224CC..Hα-helixtrans-65.3-34.2176.8-62.9-59.6-17.400112.3V100 S101 F103 C218 F219 N225 A226V100-Q222 HydrophobicContact CG1-CB 3.9Å; V100-Q222 HydrophobicContact CG1-CG 3.77Å; S101-Q222 PolarHBondContact O-NE2 3.34Å; F103-Q222 HydrophobicContact CB-CB 4.4Å; F103-Q222 HydrophobicContact CD2-CB 4.41Å; F103-Q222 WeakPolarHBondContact CD2-O 3.39Å; C218-Q222 PolarHBondContact O-N 3.32Å; F219-Q222 WeakPolarHBondContact O-CA 3.27Å; F219-Q222 WeakPolarHBondContact O-CB 3.16Å; F219-Q222 PolarHBondContact O-N 2.75Å; Q222-N225 WeakPolarHBondContact O-CB 3.34Å; Q222-N225 PolarHBondContact O-N 2.57Å; Q222-N225 PolarHBondContact OE1-ND2 3.05Å; Q222-A226 PolarHBondContact O-N 2.81Å
223L94.7Very high93.2Very high32 Ų3238.1 Ų38.117%0.16820%0.203CC..Hα-helixtrans-65.3-40.5171.1-63.1178.9000112.3F103 M133 L158 L215 F219 G220 I221 N225 A226 V227F103-L223 HydrophobicContact CE2-CD2 4.18Å; M133-L223 HydrophobicContact CB-CD2 4.45Å; M133-L223 HydrophobicContact CG-CD2 3.9Å; M133-L223 HydrophobicContact SD-CD2 3.82Å; L158-L223 HydrophobicContact CD2-CB 4.35Å; L158-L223 HydrophobicContact CD2-CD2 4.04Å; L215-L223 HydrophobicContact CD1-CD1 4.06Å; L215-L223 HydrophobicContact CD2-CD1 4.32Å; F219-L223 HydrophobicContact CD1-CD1 4.34Å; F219-L223 HydrophobicContact CD1-CG 4.42Å; F219-L223 HydrophobicContact CE1-CD1 4.2Å; F219-L223 HydrophobicContact CE1-CD2 4.2Å; F219-L223 HydrophobicContact CE1-CG 4.24Å; F219-L223 HydrophobicContact CZ-CD2 4.34Å; F219-L223 PolarHBondContact O-N 3.4Å; G220-L223 PolarHBondContact O-N 2.96Å; I221-L223 VanDerWaalsContact C-N 3.3Å; I221-L223 PolarHBondContact O-N 2.85Å; L223-N225 VanDerWaalsContact C-N 3.33Å; L223-A226 VanDerWaalsContact O-CB 3.31Å; L223-A226 WeakPolarHBondContact O-CB 3.36Å; L223-A226 PolarHBondContact O-N 3.32Å; L223-V227 PolarHBondContact O-N 3.48Å
224L91.6Very high93.6Very high46 Ų4635 Ų3524%0.24118%0.177CC..Hα-helixtrans-65.1-38.3173.7-67.2171.5000111.9A166 V171 G220 I221 A226 V227 S228A166-L224 HydrophobicContact CB-CD2 4.38Å; V171-L224 HydrophobicContact CB-CD1 4.38Å; V171-L224 HydrophobicContact CG1-CD1 4.04Å; V171-L224 HydrophobicContact CG2-CD1 3.96Å; V171-L224 HydrophobicContact CG2-CD2 3.96Å; G220-L224 WeakPolarHBondContact O-CG 3.36Å; G220-L224 PolarHBondContact O-N 2.92Å; I221-L224 PolarHBondContact O-N 3.4Å; L224-A226 VanDerWaalsContact C-N 3.31Å; L224-A226 PolarHBondContact O-N 3.33Å; L224-V227 PolarHBondContact O-N 3.07Å; L224-S228 PolarHBondContact O-N 3.49Å; L224-S228 VanDerWaalsContact O-N 3.08Å
225N94.5Very high94.3Very high52 Ų5237.8 Ų37.828%0.27819%0.192SC..Hα-helixtrans-62.7-39.5172.9-69.1-20.1000111I221 Q222 L223 S228 R229I221-N225 VanDerWaalsContact O-CG 3.24Å; I221-N225 PolarHBondContact O-N 3.45Å; I221-N225 PolarHBondContact O-ND2 3.13Å; Q222-N225 WeakPolarHBondContact O-CB 3.34Å; Q222-N225 PolarHBondContact O-N 2.57Å; Q222-N225 PolarHBondContact OE1-ND2 3.05Å; L223-N225 VanDerWaalsContact C-N 3.33Å; N225-S228 PolarHBondContact O-N 2.88Å; N225-R229 WeakPolarHBondContact O-CB 3.47Å; N225-R229 WeakPolarHBondContact O-CD 3.2Å; N225-R229 WeakPolarHBondContact O-CG 3.23Å; N225-R229 PolarHBondContact O-N 3.46Å
226A97.6Very high94.5Very high0 Ų042.9 Ų42.90%021%0.212CC..Hα-helixtrans-59.3-50.6175.100000111.5F103 Q222 L223 L224 S228 R229 V230F103-A226 HydrophobicContact CD1-CB 3.58Å; F103-A226 HydrophobicContact CD2-CB 3.72Å; F103-A226 HydrophobicContact CE1-CB 3.45Å; F103-A226 VanDerWaalsContact CE1-CB 3.45Å; F103-A226 HydrophobicContact CE2-CB 3.59Å; F103-A226 HydrophobicContact CG-CB 3.71Å; F103-A226 HydrophobicContact CZ-CB 3.44Å; F103-A226 VanDerWaalsContact CZ-CB 3.44Å; Q222-A226 PolarHBondContact O-N 2.81Å; L223-A226 VanDerWaalsContact O-CB 3.31Å; L223-A226 WeakPolarHBondContact O-CB 3.36Å; L223-A226 PolarHBondContact O-N 3.32Å; L224-A226 VanDerWaalsContact C-N 3.31Å; L224-A226 PolarHBondContact O-N 3.33Å; A226-S228 VanDerWaalsContact C-N 3.34Å; A226-S228 PolarHBondContact O-N 3.17Å; A226-R229 PolarHBondContact O-N 3.44Å; A226-R229 VanDerWaalsContact O-N 3.11Å; A226-V230 WeakPolarHBondContact O-CB 3.29Å; A226-V230 WeakPolarHBondContact O-CG2 3.06Å; A226-V230 PolarHBondContact O-N 3.22Å
227V95.8Very high94.9Very high29 Ų2940.7 Ų40.718%0.17620%0.203CC..Hα-helixtrans-54.3-49.11761670000111.1L158 V159 L223 L224 R229 V230 E231L158-V227 HydrophobicContact CD1-CG2 3.88Å; L158-V227 HydrophobicContact CD2-CG2 4.35Å; L158-V227 HydrophobicContact CG-CG2 3.86Å; V159-V227 WeakPolarHBondContact O-CG1 3.38Å; L223-V227 PolarHBondContact O-N 3.48Å; L224-V227 PolarHBondContact O-N 3.07Å; V227-R229 VanDerWaalsContact C-N 3.33Å; V227-R229 PolarHBondContact O-N 2.89Å; V227-V230 PolarHBondContact O-N 2.9Å; V227-E231 PolarHBondContact O-N 2.97Å
228S95Very high95.4Very high48 Ų4844 Ų4434%0.33622%0.224SC..Hα-helixtrans-65.4-32.6178.6177.90000113.7L224 N225 A226 R232L224-S228 PolarHBondContact O-N 3.49Å; L224-S228 VanDerWaalsContact O-N 3.08Å; N225-S228 PolarHBondContact O-N 2.88Å; A226-S228 VanDerWaalsContact C-N 3.34Å; A226-S228 PolarHBondContact O-N 3.17Å; S228-R232 WeakPolarHBondContact O-CG 3.48Å; S228-R232 PolarHBondContact O-N 2.87Å; S228-R232 PolarHBondContact O-NE 3.18Å
229R98.1Very high95.8Very high61 Ų6143.5 Ų43.523%0.2322%0.22CC..Hα-helixtrans-72.7-42.3175.1-72.3167.2-176.2-165.2-2.2110.9D102 H104 L140 N225 A226 V227 R232 A233D102-R229 IonicContact OD1-CZ 3.18Å; D102-R229 VanDerWaalsContact OD1-CZ 3.3Å; D102-R229 IonicContact OD1-NH1 3.92Å; D102-R229 PolarHBondContact OD1-NH1 2.97Å; D102-R229 IonicContact OD1-NH2 2.85Å; D102-R229 PolarHBondContact OD1-NH2 3.47Å; D102-R229 IonicContact OD2-CZ 3.72Å; D102-R229 IonicContact OD2-NH1 3.54Å; D102-R229 IonicContact OD2-NH2 2.69Å; D102-R229 PolarHBondContact OD2-NH2 2.97Å; H104-R229 VanDerWaalsContact N-NH1 3.14Å; L140-R229 HydrophobicContact CD1-CB 4.09Å; L140-R229 HydrophobicContact CD2-CB 3.75Å; N225-R229 WeakPolarHBondContact O-CB 3.47Å; N225-R229 WeakPolarHBondContact O-CD 3.2Å; N225-R229 WeakPolarHBondContact O-CG 3.23Å; N225-R229 PolarHBondContact O-N 3.46Å; A226-R229 PolarHBondContact O-N 3.44Å; A226-R229 VanDerWaalsContact O-N 3.11Å; V227-R229 VanDerWaalsContact C-N 3.33Å; V227-R229 PolarHBondContact O-N 2.89Å; R229-R232 PolarHBondContact O-N 3.44Å; R229-A233 WeakPolarHBondContact O-CB 3.49Å; R229-A233 PolarHBondContact O-N 3.47Å
230V98.3Very high96Very high0 Ų045.2 Ų45.20%023%0.231CC..Hα-helixtrans-59.7-51.1177.2166.20000109.8A136 I139 L140 V159 A226 V227 R232 A233 L234A136-V230 HydrophobicContact CB-CG2 3.91Å; I139-V230 HydrophobicContact CD1-CG1 4.24Å; I139-V230 HydrophobicContact CG2-CG1 4.16Å; I139-V230 HydrophobicContact CG2-CG2 4.36Å; L140-V230 HydrophobicContact CD1-CG2 4.36Å; L140-V230 HydrophobicContact CD2-CG2 4.05Å; L140-V230 HydrophobicContact CG-CG2 3.98Å; V159-V230 HydrophobicContact CB-CG1 4.37Å; V159-V230 HydrophobicContact CG1-CG1 4.11Å; V159-V230 HydrophobicContact CG2-CG1 4.18Å; A226-V230 WeakPolarHBondContact O-CB 3.29Å; A226-V230 WeakPolarHBondContact O-CG2 3.06Å; A226-V230 PolarHBondContact O-N 3.22Å; V227-V230 PolarHBondContact O-N 2.9Å; V230-R232 VanDerWaalsContact C-N 3.27Å; V230-R232 PolarHBondContact O-N 3.18Å; V230-A233 CarbonylContact O-C 3.59Å; V230-A233 WeakPolarHBondContact O-CA 3.34Å; V230-A233 WeakPolarHBondContact O-CB 3.22Å; V230-A233 PolarHBondContact O-N 2.81Å; V230-L234 HydrophobicContact CG1-CD2 3.79Å; V230-L234 HydrophobicContact CG1-CG 4.37Å; V230-L234 VanDerWaalsContact O-CG 3.27Å; V230-L234 WeakPolarHBondContact O-CG 3.22Å; V230-L234 PolarHBondContact O-N 2.92Å
231E96.1Very high96.4Very high119 Ų11944.6 Ų44.656%0.55623%0.225SC*.Hα-helixtrans-51.5-45.5177.3-175.6-177.5-163.500112.1V227 A233 P235V227-E231 PolarHBondContact O-N 2.97Å; E231-A233 VanDerWaalsContact C-N 3.31Å; E231-A233 PolarHBondContact O-N 3.4Å; E231-P235 WeakPolarHBondContact O-CD 3.4Å
232R97.6Very high96.8Very high159 Ų15943.8 Ų43.860%0.622%0.22SC*.Hα-helixtrans-70.4-23.8176.9-72-178.6-72.8154.4-7.2113.9S228 R229 V230S228-R232 WeakPolarHBondContact O-CG 3.48Å; S228-R232 PolarHBondContact O-N 2.87Å; S228-R232 PolarHBondContact O-NE 3.18Å; R229-R232 PolarHBondContact O-N 3.44Å; V230-R232 VanDerWaalsContact C-N 3.27Å; V230-R232 PolarHBondContact O-N 3.18Å
233A97.4Very high96.9Very high10 Ų1042.7 Ų42.78%0.08322%0.216CC..Hα-helixtrans-85-28.1179.700000112.6L140 A143 R229 V230 E231 K236 L237L140-A233 HydrophobicContact CD2-CB 4.1Å; A143-A233 HydrophobicContact CB-CB 3.75Å; R229-A233 WeakPolarHBondContact O-CB 3.49Å; R229-A233 PolarHBondContact O-N 3.47Å; V230-A233 CarbonylContact O-C 3.59Å; V230-A233 WeakPolarHBondContact O-CA 3.34Å; V230-A233 WeakPolarHBondContact O-CB 3.22Å; V230-A233 PolarHBondContact O-N 2.81Å; E231-A233 VanDerWaalsContact C-N 3.31Å; E231-A233 PolarHBondContact O-N 3.4Å; A233-K236 WeakPolarHBondContact O-CA 3.22Å; A233-K236 WeakPolarHBondContact O-CB 3.48Å; A233-K236 PolarHBondContact O-N 3.3Å; A233-L237 PolarHBondContact O-N 2.89Å
234L97Very high97.1Very high1 Ų141.2 Ų41.21%0.00521%0.208CC..G310 helixtrans-51.8-47.1-175.2-56.4-174000113.3I139 V159 V230 K236 L237 L259 L260 A264I139-L234 HydrophobicContact CG2-CD2 4.34Å; V159-L234 HydrophobicContact CG1-CD1 4.22Å; V230-L234 HydrophobicContact CG1-CD2 3.79Å; V230-L234 HydrophobicContact CG1-CG 4.37Å; V230-L234 VanDerWaalsContact O-CG 3.27Å; V230-L234 WeakPolarHBondContact O-CG 3.22Å; V230-L234 PolarHBondContact O-N 2.92Å; L234-K236 PolarHBondContact O-N 3.07Å; L234-L237 WeakPolarHBondContact O-CB 3.32Å; L234-L237 PolarHBondContact O-N 2.98Å; L234-L259 HydrophobicContact CD1-CD2 4.5Å; L234-L259 HydrophobicContact CD1-CG 4.17Å; L234-L260 HydrophobicContact CD2-CD1 3.52Å; L234-A264 WeakPolarHBondContact O-CA 3.45Å
235P96.8Very high97.4Very high72 Ų7239.1 Ų39.147%0.46820%0.197SC..G310 helixtrans-66.1-10.4-179.1-21.435.2000114.7E231 K265E231-P235 WeakPolarHBondContact O-CD 3.4Å; P235-K265 WeakPolarHBondContact O-CG 3.45Å
236K93.6Very high97.6Very high149 Ų14936.6 Ų36.665%0.64818%0.183SC*.G310 helixtrans-103.5-10.6177.8-56179.4-176.1179.20112.5A233 L234 T238A233-K236 WeakPolarHBondContact O-CA 3.22Å; A233-K236 WeakPolarHBondContact O-CB 3.48Å; A233-K236 PolarHBondContact O-N 3.3Å; L234-K236 PolarHBondContact O-N 3.07Å; K236-T238 PolarHBondContact O-N 3.14Å
237L98.1Very high97.7Very high1 Ų138.3 Ų38.31%0.00520%0.195CC..  trans-75.9116.3-174.6-164.272.6000110I139 A142 A143 M152 A233 L234 V239 L260 A264 K265 S266I139-L237 HydrophobicContact CG2-CD1 4.43Å; I139-L237 HydrophobicContact CG2-CD2 4.26Å; A142-L237 HydrophobicContact CB-CD1 4.1Å; A143-L237 HydrophobicContact CB-CD1 4.37Å; M152-L237 HydrophobicContact CE-CD1 4.09Å; M152-L237 HydrophobicContact CE-CD2 3.93Å; M152-L237 HydrophobicContact CE-CG 4.42Å; A233-L237 PolarHBondContact O-N 2.89Å; L234-L237 WeakPolarHBondContact O-CB 3.32Å; L234-L237 PolarHBondContact O-N 2.98Å; L237-V239 HydrophobicContact CD1-CG1 3.73Å; L237-V239 HydrophobicContact CG-CG1 3.97Å; L237-L260 HydrophobicContact CD2-CD1 4.06Å; L237-A264 HydrophobicContact CB-CB 4.42Å; L237-A264 HydrophobicContact CD2-CB 4.36Å; L237-K265 CarbonylContact O-C 3.56Å; L237-K265 WeakPolarHBondContact O-CA 3.21Å; L237-K265 PolarHBondContact O-N 2.77Å; L237-S266 PolarHBondContact O-N 2.81Å; L237-S266 PolarHBondContact O-OG 3.35Å
238T98.6Very high97.7Very high72 Ų7238.6 Ų38.644%0.44220%0.201SC..  trans-119.1-11.6-178.853.70000113.9K236 K265 S266K236-T238 PolarHBondContact O-N 3.14Å; T238-K265 HydrophobicContact CG2-CB 4.18Å; T238-S266 VanDerWaalsContact C-OG 3.26Å
239V98.6Very high97.8Very high9 Ų937 Ų376%0.05519%0.188CC..SBendtrans-60.1139.2179.459.80000111.1A142 F149 M152 L237 S266A142-V239 HydrophobicContact CB-CB 4.43Å; A142-V239 HydrophobicContact CB-CG1 3.78Å; F149-V239 HydrophobicContact CB-CG2 3.96Å; F149-V239 WeakPolarHBondContact O-CG2 3.5Å; M152-V239 HydrophobicContact CE-CG1 3.49Å; M152-V239 VanDerWaalsContact CE-CG1 3.49Å; M152-V239 HydrophobicContact CG-CG1 3.93Å; M152-V239 HydrophobicContact CG-CG2 3.93Å; M152-V239 HydrophobicContact SD-CG1 3.88Å; L237-V239 HydrophobicContact CD1-CG1 3.73Å; L237-V239 HydrophobicContact CG-CG1 3.97Å; V239-S266 WeakPolarHBondContact O-CB 3.47Å; V239-S266 PolarHBondContact O-OG 3.16Å
240P98.9Very high97.6Very high35 Ų3540.8 Ų40.823%0.22720%0.202CC..  trans-56.4140.7172.5-28.337.4000112.3G151 M152 D268 W299G151-P240 CarbonylContact C-O 3.56Å; G151-P240 VanDerWaalsContact CA-O 3.23Å; G151-P240 WeakPolarHBondContact CA-O 3.47Å; M152-P240 PolarHBondContact N-O 3.17Å; P240-D268 CarbonylContact C-O 3.48Å; P240-D268 WeakPolarHBondContact CA-O 3.41Å; P240-D268 HydrophobicContact CB-CB 3.96Å; P240-D268 HydrophobicContact CG-CB 4.3Å; P240-W299 HydrophobicContact CB-CH2 4.09Å; P240-W299 HydrophobicContact CB-CZ2 4.06Å
241F98.9Very high97.2Very high0 Ų043 Ų430%021%0.214CC..EExtended strand (participates in β ladder)trans-147.1147174.567.8-94.1000116.6M152 L243 L260 M261 A264 D268 K269 T270 W299M152-F241 HydrophobicContact CB-CB 4.08Å; M152-F241 HydrophobicContact CE-CB 4.49Å; M152-F241 CarbonylContact O-C 3.57Å; M152-F241 WeakPolarHBondContact O-CA 3.13Å; M152-F241 WeakPolarHBondContact O-CB 3.11Å; F241-L243 HydrophobicContact CD2-CB 4.05Å; F241-L243 HydrophobicContact CE2-CB 4.09Å; F241-L243 HydrophobicContact CE2-CD2 4.4Å; F241-L260 HydrophobicContact CE2-CD2 4.35Å; F241-L260 HydrophobicContact CE2-CG 4.18Å; F241-L260 HydrophobicContact CZ-CD1 4.3Å; F241-L260 HydrophobicContact CZ-CG 4.1Å; F241-M261 HydrophobicContact CE2-SD 3.52Å; F241-M261 VanDerWaalsContact CE2-SD 3.52Å; F241-M261 HydrophobicContact CZ-SD 3.85Å; F241-A264 HydrophobicContact CE1-CB 3.72Å; F241-A264 HydrophobicContact CZ-CB 4.03Å; F241-D268 PolarHBondContact N-O 2.73Å; F241-K269 HydrophobicContact CD1-CB 4.07Å; F241-K269 HydrophobicContact CD2-CB 4.32Å; F241-K269 HydrophobicContact CE1-CB 3.54Å; F241-K269 HydrophobicContact CE1-CD 4.26Å; F241-K269 HydrophobicContact CE2-CB 3.83Å; F241-K269 HydrophobicContact CG-CB 4.44Å; F241-K269 HydrophobicContact CZ-CB 3.41Å; F241-K269 VanDerWaalsContact CZ-CB 3.41Å; F241-K269 HydrophobicContact CZ-CD 4.05Å; F241-K269 HydrophobicContact CZ-CG 4.36Å; F241-K269 WeakPolarHBondContact O-CA 3.28Å; F241-T270 PolarHBondContact O-N 3.42Å; F241-W299 VanDerWaalsContact C-CZ2 3.42Å
242L98.9Very high97.1Very high2 Ų237.5 Ų37.51%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-100.1127.2162.8178.162.6000109.1M152 V153 L154 L244 T270 E295 I296 W299M152-L242 PolarHBondContact O-N 3.3Å; V153-L242 HydrophobicContact CG1-CD2 4.49Å; V153-L242 HydrophobicContact CG2-CB 4.5Å; L154-L242 PolarHBondContact N-O 3.42Å; L242-L244 HydrophobicContact CD1-CD2 3.87Å; L242-L244 HydrophobicContact CD2-CD1 4.34Å; L242-L244 HydrophobicContact CD2-CD2 4.09Å; L242-L244 HydrophobicContact CD2-CG 4.27Å; L242-L244 HydrophobicContact CG-CD2 3.89Å; L242-L244 HydrophobicContact CG-CG 4.12Å; L242-T270 HydrophobicContact CD1-CG2 4.19Å; L242-E295 HydrophobicContact CD2-CB 4.41Å; L242-I296 HydrophobicContact CD2-CG1 4.13Å; L242-W299 HydrophobicContact CB-CD2 3.77Å; L242-W299 HydrophobicContact CB-CE3 4.41Å; L242-W299 HydrophobicContact CB-CG 3.8Å; L242-W299 HydrophobicContact CB-CZ2 4.45Å; L242-W299 HydrophobicContact CD2-CB 3.85Å; L242-W299 HydrophobicContact CD2-CG 4.03Å; L242-W299 HydrophobicContact CG-CG 4.33Å
243L98.9Very high96.9Very high0 Ų031.2 Ų31.20%017%0.167CC..EExtended strand (participates in β ladder)trans-116.5120.2177.3179.158.9000110.1L154 P157 F241 A257 L260 M261 T270 L271 K272L154-L243 HydrophobicContact CB-CD1 3.9Å; P157-L243 VanDerWaalsContact CD-CD1 3.46Å; P157-L243 HydrophobicContact CG-CD1 3.51Å; F241-L243 HydrophobicContact CD2-CB 4.05Å; F241-L243 HydrophobicContact CE2-CB 4.09Å; F241-L243 HydrophobicContact CE2-CD2 4.4Å; L243-A257 HydrophobicContact CD2-CB 3.82Å; L243-A257 WeakPolarHBondContact CD2-O 3.01Å; L243-A257 HydrophobicContact CG-CB 4.32Å; L243-L260 HydrophobicContact CD1-CD2 4.07Å; L243-L260 HydrophobicContact CD2-CB 4.34Å; L243-L260 HydrophobicContact CD2-CD2 3.79Å; L243-L260 HydrophobicContact CD2-CG 4.2Å; L243-M261 HydrophobicContact CD2-CG 3.98Å; L243-M261 HydrophobicContact CD2-SD 4.27Å; L243-T270 PolarHBondContact N-O 2.83Å; L243-L271 HydrophobicContact CB-CD1 4.22Å; L243-L271 HydrophobicContact CD2-CD1 3.84Å; L243-L271 HydrophobicContact CG-CD1 3.71Å; L243-L271 CarbonylContact O-C 3.52Å; L243-L271 WeakPolarHBondContact O-CA 3.44Å; L243-K272 PolarHBondContact O-N 3.24Å
244L98.9Very high96.8Very high0 Ų032 Ų320%017%0.172CC..EExtended strand (participates in β ladder)trans-114.8126.1177.9-54.7-177.9000108.5L154 S156 L242 K272 Y274 L281 V292 E295 I296L154-L244 PolarHBondContact O-N 3.31Å; S156-L244 PolarHBondContact N-O 2.97Å; L242-L244 HydrophobicContact CD1-CD2 3.87Å; L242-L244 HydrophobicContact CD2-CD1 4.34Å; L242-L244 HydrophobicContact CD2-CD2 4.09Å; L242-L244 HydrophobicContact CD2-CG 4.27Å; L242-L244 HydrophobicContact CG-CD2 3.89Å; L242-L244 HydrophobicContact CG-CG 4.12Å; L244-K272 HydrophobicContact CD2-CB 3.78Å; L244-K272 HydrophobicContact CD2-CD 4.39Å; L244-Y274 HydrophobicContact CB-CE2 4.18Å; L244-Y274 HydrophobicContact CD2-CE2 4.18Å; L244-L281 HydrophobicContact CB-CD1 3.93Å; L244-V292 HydrophobicContact CD1-CB 4.38Å; L244-V292 HydrophobicContact CD1-CG1 3.87Å; L244-V292 HydrophobicContact CD1-CG2 4.3Å; L244-E295 HydrophobicContact CD2-CB 4.47Å; L244-I296 HydrophobicContact CD1-CD1 4.04Å; L244-I296 HydrophobicContact CD1-CG1 3.88Å
245Q98.9Very high96.8Very high2 Ų238.3 Ų38.31%0.00920%0.199CC..EExtended strand (participates in β ladder)trans-142.5137.8-174.7176.767.353.300111.7D249 C252 A257 L271 K272 I273 Y274Q245-D249 VanDerWaalsContact NE2-CB 3.3Å; Q245-D249 PolarHBondContact NE2-OD2 3.4Å; Q245-D249 VanDerWaalsContact NE2-OD2 3.08Å; Q245-C252 PolarHBondContact NE2-O 3.25Å; Q245-A257 HydrophobicContact CB-CB 3.87Å; Q245-A257 HydrophobicContact CG-CB 3.72Å; Q245-L271 HydrophobicContact CB-CD1 4.34Å; Q245-K272 PolarHBondContact N-O 3.16Å; Q245-I273 HydrophobicContact CB-CD1 3.93Å; Q245-I273 HydrophobicContact CG-CD1 4.1Å; Q245-I273 CarbonylContact O-C 3.47Å; Q245-I273 VanDerWaalsContact O-CA 3.3Å; Q245-I273 WeakPolarHBondContact O-CA 3.11Å; Q245-Y274 PolarHBondContact O-N 3.46Å
246G98.6Very high96.8Very high0 Ų035 Ų350%018%0.178CC..EExtended strand (participates in β ladder)trans-83.7138.9171.300000111.6A248 A277G246-A248 VanDerWaalsContact C-N 3.3Å; G246-A248 PolarHBondContact O-N 2.94Å; G246-A277 CarbonylContact C-O 3.53Å; G246-A277 WeakPolarHBondContact CA-O 3.47Å
247S98.1Very high97Very high36 Ų3628 Ų2825%0.25215%0.148SC..THydrogen-bonded Turntrans-72.7-23.6178.574.60000113.1Y274 E275 G276S247-Y274 PolarHBondContact N-O 2.82Å; S247-E275 WeakPolarHBondContact OG-CA 3.43Å; S247-E275 VanDerWaalsContact OG-CD 3.24Å; S247-E275 PolarHBondContact OG-OE1 2.78Å; S247-G276 PolarHBondContact OG-N 3.06Å
248A97.2Very high97Very high35 Ų3533.6 Ų33.629%0.28917%0.17SC..THydrogen-bonded Turntrans-105.821.9-179.700000113G246 R250 A277 Y278G246-A248 VanDerWaalsContact C-N 3.3Å; G246-A248 PolarHBondContact O-N 2.94Å; A248-R250 PolarHBondContact O-N 3.3Å; A248-A277 CarbonylContact C-O 3.58Å; A248-A277 PolarHBondContact N-O 3.44Å; A248-A277 VanDerWaalsContact N-O 3.13Å; A248-Y278 HydrophobicContact CB-CD1 3.93Å; A248-Y278 HydrophobicContact CB-CE1 4.02Å
249D96.9Very high97Very high13 Ų1332.6 Ų32.67%0.0716%0.161CC..  trans-64122174.5-171.1-22.5000110.9S156 Q245 L251 C252 H279S156-D249 WeakPolarHBondContact CB-OD2 3.49Å; Q245-D249 VanDerWaalsContact NE2-CB 3.3Å; Q245-D249 PolarHBondContact NE2-OD2 3.4Å; Q245-D249 VanDerWaalsContact NE2-OD2 3.08Å; D249-L251 PolarHBondContact OD1-N 2.85Å; D249-C252 WeakPolarHBondContact CB-O 3.18Å; D249-C252 PolarHBondContact OD1-N 3.07Å; D249-H279 VanDerWaalsContact CG-ND1 3.29Å; D249-H279 IonicContact OD1-CG 2.73Å; D249-H279 IonicContact OD1-ND1 3.32Å; D249-H279 PolarHBondContact OD1-ND1 3.4Å; D249-H279 VanDerWaalsContact OD1-ND1 3.13Å; D249-H279 IonicContact OD2-CE1 2.99Å; D249-H279 IonicContact OD2-CG 2.77Å; D249-H279 IonicContact OD2-ND1 3.58Å; D249-H279 PolarHBondContact OD2-ND1 3.27Å
250R92.4Very high97Very high141 Ų14132.2 Ų32.253%0.53216%0.159SC..SBendtrans-95.1-5.5-178.7-64.3-170.8178.3-177.2-1.3113.8N162 V193 A248N162-R250 WeakPolarHBondContact CB-O 3.41Å; N162-R250 PolarHBondContact ND2-O 2.78Å; V193-R250 HydrophobicContact CB-CB 4.43Å; A248-R250 PolarHBondContact O-N 3.3Å
251L90.1Very high96.9Very high46 Ų4632.4 Ų32.424%0.24116%0.157CC..SBendtrans-106.8-58-177.6-67.6175.8000111.3N162 I189 L194 D249 H279N162-L251 PolarHBondContact N-O 3.33Å; I189-L251 HydrophobicContact CG2-CD1 4.24Å; I189-L251 HydrophobicContact CG2-CD2 4.15Å; L194-L251 HydrophobicContact CD2-CD1 3.35Å; D249-L251 PolarHBondContact OD1-N 2.85Å; L251-H279 HydrophobicContact CD1-CB 4.31Å
252C94.1Very high96.9Very high4 Ų439.8 Ų39.83%0.02719%0.192CC..BIsolated β-bridgetrans-104101.2176.5-68.10000108.3Q245 D249 S254 H279Q245-C252 PolarHBondContact NE2-O 3.25Å; D249-C252 WeakPolarHBondContact CB-O 3.18Å; D249-C252 PolarHBondContact OD1-N 3.07Å; C252-S254 PolarHBondContact O-N 3.04Å; C252-H279 PolarHBondContact SG-CE1 3.13Å
253D93.4Very high96.9Very high28 Ų2841.3 Ų41.315%0.1520%0.202CC..  trans-61.2134.5-174.5-171.4-67.9000110.3L160 P163 K255 G256L160-D253 HydrophobicContact CD2-CB 3.9Å; L160-D253 PolarHBondContact O-N 2.69Å; P163-D253 WeakPolarHBondContact CD-OD2 3.44Å; D253-K255 PolarHBondContact O-N 2.81Å; D253-K255 VanDerWaalsContact O-N 3.07Å; D253-K255 WeakPolarHBondContact OD1-CB 3.49Å; D253-K255 WeakPolarHBondContact OD1-CD 3.31Å; D253-K255 WeakPolarHBondContact OD1-CG 3.47Å; D253-K255 PolarHBondContact OD1-N 3.39Å; D253-G256 PolarHBondContact O-N 3.19Å
254S95.9Very high96.8Very high25 Ų2541.4 Ų41.418%0.17520%0.203CC..Hα-helixtrans-60.3-21.7-177.361.30000113.2C252 G256 A257 Y258C252-S254 PolarHBondContact O-N 3.04Å; S254-G256 PolarHBondContact O-N 2.85Å; S254-A257 WeakPolarHBondContact O-CB 3.47Å; S254-A257 PolarHBondContact O-N 2.85Å; S254-Y258 WeakPolarHBondContact O-CD2 3.48Å; S254-Y258 PolarHBondContact O-N 2.88Å
255K96.4Very high96.8Very high135 Ų13547.1 Ų47.159%0.58723%0.228SC*.Hα-helixtrans-55.5-34.9168.4-67.9171.3-176.6171.20112.5D253 A257 Y258 L259D253-K255 PolarHBondContact O-N 2.81Å; D253-K255 VanDerWaalsContact O-N 3.07Å; D253-K255 WeakPolarHBondContact OD1-CB 3.49Å; D253-K255 WeakPolarHBondContact OD1-CD 3.31Å; D253-K255 WeakPolarHBondContact OD1-CG 3.47Å; D253-K255 PolarHBondContact OD1-N 3.39Å; K255-A257 VanDerWaalsContact C-N 3.29Å; K255-A257 PolarHBondContact O-N 2.83Å; K255-Y258 PolarHBondContact O-N 3.38Å; K255-L259 WeakPolarHBondContact O-CB 3.31Å; K255-L259 PolarHBondContact O-N 3.18Å
256G96.8Very high96.8Very high2 Ų247.1 Ų47.12%0.02123%0.228CC..Hα-helixtrans-61.7-36.9174.200000112.6V159 D253 S254 L259 L260V159-G256 WeakPolarHBondContact CG1-O 3.48Å; D253-G256 PolarHBondContact O-N 3.19Å; S254-G256 PolarHBondContact O-N 2.85Å; G256-L259 PolarHBondContact O-N 2.84Å; G256-L260 WeakPolarHBondContact O-CB 3.49Å; G256-L260 PolarHBondContact O-N 3.14Å
257A98.1Very high96.8Very high1 Ų156 Ų561%0.00827%0.27CS..Hα-helixtrans-67.8-42.4176.300000112L243 Q245 S254 K255 L260 M261 L271L243-A257 HydrophobicContact CD2-CB 3.82Å; L243-A257 WeakPolarHBondContact CD2-O 3.01Å; L243-A257 HydrophobicContact CG-CB 4.32Å; Q245-A257 HydrophobicContact CB-CB 3.87Å; Q245-A257 HydrophobicContact CG-CB 3.72Å; S254-A257 WeakPolarHBondContact O-CB 3.47Å; S254-A257 PolarHBondContact O-N 2.85Å; K255-A257 VanDerWaalsContact C-N 3.29Å; K255-A257 PolarHBondContact O-N 2.83Å; A257-L260 PolarHBondContact O-N 3.22Å; A257-M261 WeakPolarHBondContact O-CG 3.43Å; A257-M261 PolarHBondContact O-N 3.21Å; A257-M261 VanDerWaalsContact O-N 3.1Å; A257-L271 HydrophobicContact CB-CD1 4.24Å
258Y98.3Very high96.8Very high119 Ų11956.8 Ų56.847%0.46727%0.271SS..Hα-helixtrans-65.3-41.7174.6-60.6-66.7000112S254 K255 L260 M261 E262 L271 I273S254-Y258 WeakPolarHBondContact O-CD2 3.48Å; S254-Y258 PolarHBondContact O-N 2.88Å; K255-Y258 PolarHBondContact O-N 3.38Å; Y258-L260 VanDerWaalsContact C-N 3.32Å; Y258-L260 PolarHBondContact O-N 3.46Å; Y258-M261 PolarHBondContact O-N 2.87Å; Y258-E262 WeakPolarHBondContact O-CB 3.3Å; Y258-E262 PolarHBondContact O-N 3.1Å; Y258-L271 HydrophobicContact CD1-CD2 3.77Å; Y258-L271 HydrophobicContact CE1-CD2 3.73Å; Y258-I273 HydrophobicContact CE1-CD1 4.37Å; Y258-I273 HydrophobicContact CE1-CG1 4.42Å
259L97.9Very high96.9Very high52 Ų5258.3 Ų58.327%0.27227%0.271SS..Hα-helixtrans-59.9-41.6175.5178.765.5000112V159 L234 K255 G256 E262 S263V159-L259 HydrophobicContact CG1-CD2 4.47Å; L234-L259 HydrophobicContact CD1-CD2 4.5Å; L234-L259 HydrophobicContact CD1-CG 4.17Å; K255-L259 WeakPolarHBondContact O-CB 3.31Å; K255-L259 PolarHBondContact O-N 3.18Å; G256-L259 PolarHBondContact O-N 2.84Å; L259-E262 PolarHBondContact O-N 3.49Å; L259-S263 WeakPolarHBondContact CD1-OG 3.46Å; L259-S263 WeakPolarHBondContact O-CB 3.45Å; L259-S263 PolarHBondContact O-N 3.18Å; L259-S263 PolarHBondContact O-OG 3.16Å
260L98.4Very high97Very high0 Ų060.6 Ų60.60%029%0.286CS..Hα-helixtrans-60.9-47.1175172.657.9000111.3I139 L154 P157 V159 L234 L237 F241 L243 G256 A257 Y258 E262 S263 A264I139-L260 HydrophobicContact CD1-CD2 4.26Å; L154-L260 HydrophobicContact CD1-CD2 3.71Å; P157-L260 HydrophobicContact CG-CD2 4.33Å; V159-L260 HydrophobicContact CG1-CB 4.49Å; V159-L260 HydrophobicContact CG2-CB 4.31Å; V159-L260 HydrophobicContact CG2-CD2 4.14Å; L234-L260 HydrophobicContact CD2-CD1 3.52Å; L237-L260 HydrophobicContact CD2-CD1 4.06Å; F241-L260 HydrophobicContact CE2-CD2 4.35Å; F241-L260 HydrophobicContact CE2-CG 4.18Å; F241-L260 HydrophobicContact CZ-CD1 4.3Å; F241-L260 HydrophobicContact CZ-CG 4.1Å; L243-L260 HydrophobicContact CD1-CD2 4.07Å; L243-L260 HydrophobicContact CD2-CB 4.34Å; L243-L260 HydrophobicContact CD2-CD2 3.79Å; L243-L260 HydrophobicContact CD2-CG 4.2Å; G256-L260 WeakPolarHBondContact O-CB 3.49Å; G256-L260 PolarHBondContact O-N 3.14Å; A257-L260 PolarHBondContact O-N 3.22Å; Y258-L260 VanDerWaalsContact C-N 3.32Å; Y258-L260 PolarHBondContact O-N 3.46Å; L260-E262 VanDerWaalsContact C-N 3.33Å; L260-E262 PolarHBondContact O-N 2.81Å; L260-S263 PolarHBondContact O-N 3.39Å; L260-A264 HydrophobicContact CD1-CB 4.24Å; L260-A264 WeakPolarHBondContact O-CB 3.34Å; L260-A264 PolarHBondContact O-N 2.93Å
261M98.6Very high97.3Very high40 Ų4056 Ų5620%0.19727%0.272CS..Hα-helixtrans-61.5-39.5177.2-72.7-61-67.700112.8F241 L243 A257 Y258 K269 L271F241-M261 HydrophobicContact CE2-SD 3.52Å; F241-M261 VanDerWaalsContact CE2-SD 3.52Å; F241-M261 HydrophobicContact CZ-SD 3.85Å; L243-M261 HydrophobicContact CD2-CG 3.98Å; L243-M261 HydrophobicContact CD2-SD 4.27Å; A257-M261 WeakPolarHBondContact O-CG 3.43Å; A257-M261 PolarHBondContact O-N 3.21Å; A257-M261 VanDerWaalsContact O-N 3.1Å; Y258-M261 PolarHBondContact O-N 2.87Å; M261-K269 HydrophobicContact CE-CB 4.09Å; M261-K269 HydrophobicContact CE-CD 4.3Å; M261-K269 HydrophobicContact CE-CG 4Å; M261-K269 WeakPolarHBondContact O-CE 3.34Å; M261-K269 PolarHBondContact O-NZ 3.14Å; M261-K269 HydrophobicContact SD-CB 4.15Å; M261-L271 HydrophobicContact CE-CB 3.99Å; M261-L271 HydrophobicContact CG-CB 3.75Å; M261-L271 HydrophobicContact CG-CD2 4Å; M261-L271 HydrophobicContact CG-CG 4.4Å; M261-L271 HydrophobicContact SD-CB 3.83Å
262E98.3Very high97.7Very high155 Ų15557 Ų5772%0.72427%0.274SS*.Hα-helixtrans-71.2-46.7179.2-175.3178.1-175.900112.1Y258 L259 L260Y258-E262 WeakPolarHBondContact O-CB 3.3Å; Y258-E262 PolarHBondContact O-N 3.1Å; L259-E262 PolarHBondContact O-N 3.49Å; L260-E262 VanDerWaalsContact C-N 3.33Å; L260-E262 PolarHBondContact O-N 2.81Å
263S98.1Very high97.9Very high33 Ų3359.1 Ų59.123%0.23129%0.285CS..Hα-helixtrans-83.8-32-167.8-58.60000113.8L259 L260L259-S263 WeakPolarHBondContact CD1-OG 3.46Å; L259-S263 WeakPolarHBondContact O-CB 3.45Å; L259-S263 PolarHBondContact O-N 3.18Å; L259-S263 PolarHBondContact O-OG 3.16Å; L260-S263 PolarHBondContact O-N 3.39Å
264A98.3Very high98.2Very high2 Ų258.6 Ų58.62%0.01728%0.281CS..  trans-65.2139.7-178.600000112.3L234 L237 F241 L260 K269L234-A264 WeakPolarHBondContact O-CA 3.45Å; L237-A264 HydrophobicContact CB-CB 4.42Å; L237-A264 HydrophobicContact CD2-CB 4.36Å; F241-A264 HydrophobicContact CE1-CB 3.72Å; F241-A264 HydrophobicContact CZ-CB 4.03Å; L260-A264 HydrophobicContact CD1-CB 4.24Å; L260-A264 WeakPolarHBondContact O-CB 3.34Å; L260-A264 PolarHBondContact O-N 2.93Å; A264-K269 PolarHBondContact O-NZ 3.47Å
265K98.4Very high98.3Very high120 Ų12064.8 Ų64.852%0.52231%0.307SS..  trans-90.91.7178-60-56-178.4-167.10113.7P235 L237 T238 Q267P235-K265 WeakPolarHBondContact O-CG 3.45Å; L237-K265 CarbonylContact O-C 3.56Å; L237-K265 WeakPolarHBondContact O-CA 3.21Å; L237-K265 PolarHBondContact O-N 2.77Å; T238-K265 HydrophobicContact CG2-CB 4.18Å; K265-Q267 PolarHBondContact O-N 2.86Å; K265-Q267 PolarHBondContact O-NE2 2.85Å; K265-Q267 VanDerWaalsContact O-NE2 3.12Å
266S98.6Very high98.4Very high2 Ų259.5 Ų59.51%0.01429%0.291CS..  trans-51.8128.7171-52.40000110.8L237 T238 V239 K269L237-S266 PolarHBondContact O-N 2.81Å; L237-S266 PolarHBondContact O-OG 3.35Å; T238-S266 VanDerWaalsContact C-OG 3.26Å; V239-S266 WeakPolarHBondContact O-CB 3.47Å; V239-S266 PolarHBondContact O-OG 3.16Å; S266-K269 WeakPolarHBondContact O-CD 3.44Å; S266-K269 WeakPolarHBondContact O-CE 3.44Å
267Q98.4Very high98.5Very high187 Ų18759.4 Ų59.487%0.87429%0.29SS*.SBendtrans-77-31.3176.1-60.7-57.5-58.300111.3K265K265-Q267 PolarHBondContact O-N 2.86Å; K265-Q267 PolarHBondContact O-NE2 2.85Å; K265-Q267 VanDerWaalsContact O-NE2 3.12Å
268D98.6Very high98.5Very high52 Ų5262.1 Ų62.128%0.27830%0.301SS..SBendtrans-107.698.1177.2179.613.9000109.6P240 F241 R303P240-D268 CarbonylContact C-O 3.48Å; P240-D268 WeakPolarHBondContact CA-O 3.41Å; P240-D268 HydrophobicContact CB-CB 3.96Å; P240-D268 HydrophobicContact CG-CB 4.3Å; F241-D268 PolarHBondContact N-O 2.73Å; D268-R303 IonicContact OD1-CZ 3.53Å; D268-R303 IonicContact OD1-NH2 2.65Å; D268-R303 PolarHBondContact OD1-NH2 2.9Å; D268-R303 IonicContact OD2-CZ 3.65Å; D268-R303 IonicContact OD2-NE 2.73Å; D268-R303 PolarHBondContact OD2-NE 3.13Å; D268-R303 IonicContact OD2-NH2 3.6Å; D268-R303 PolarHBondContact OD2-NH2 3.08Å
269K98.7Very high98.5Very high67 Ų6756.7 Ų56.729%0.29128%0.279SS..EExtended strand (participates in β ladder)trans-142.8128.6-17951.7-178.7174.1177.70110.4F241 M261 A264 S266F241-K269 HydrophobicContact CD1-CB 4.07Å; F241-K269 HydrophobicContact CD2-CB 4.32Å; F241-K269 HydrophobicContact CE1-CB 3.54Å; F241-K269 HydrophobicContact CE1-CD 4.26Å; F241-K269 HydrophobicContact CE2-CB 3.83Å; F241-K269 HydrophobicContact CG-CB 4.44Å; F241-K269 HydrophobicContact CZ-CB 3.41Å; F241-K269 VanDerWaalsContact CZ-CB 3.41Å; F241-K269 HydrophobicContact CZ-CD 4.05Å; F241-K269 HydrophobicContact CZ-CG 4.36Å; F241-K269 WeakPolarHBondContact O-CA 3.28Å; M261-K269 HydrophobicContact CE-CB 4.09Å; M261-K269 HydrophobicContact CE-CD 4.3Å; M261-K269 HydrophobicContact CE-CG 4Å; M261-K269 WeakPolarHBondContact O-CE 3.34Å; M261-K269 PolarHBondContact O-NZ 3.14Å; M261-K269 HydrophobicContact SD-CB 4.15Å; A264-K269 PolarHBondContact O-NZ 3.47Å; S266-K269 WeakPolarHBondContact O-CD 3.44Å; S266-K269 WeakPolarHBondContact O-CE 3.44Å
270T98.8Very high98.5Very high61 Ų6154.9 Ų54.937%0.37427%0.271SS..EExtended strand (participates in β ladder)trans-129.9132.1-178-56.60000110F241 L242 L243F241-T270 PolarHBondContact O-N 3.42Å; L242-T270 HydrophobicContact CD1-CG2 4.19Å; L243-T270 PolarHBondContact N-O 2.83Å
271L98.9Very high98.5Very high46 Ų4654.9 Ų54.924%0.24127%0.271CS..EExtended strand (participates in β ladder)trans-112.8134173169.264.4000110.1L243 Q245 A257 Y258 M261 I273L243-L271 HydrophobicContact CB-CD1 4.22Å; L243-L271 HydrophobicContact CD2-CD1 3.84Å; L243-L271 HydrophobicContact CG-CD1 3.71Å; L243-L271 CarbonylContact O-C 3.52Å; L243-L271 WeakPolarHBondContact O-CA 3.44Å; Q245-L271 HydrophobicContact CB-CD1 4.34Å; A257-L271 HydrophobicContact CB-CD1 4.24Å; Y258-L271 HydrophobicContact CD1-CD2 3.77Å; Y258-L271 HydrophobicContact CE1-CD2 3.73Å; M261-L271 HydrophobicContact CE-CB 3.99Å; M261-L271 HydrophobicContact CG-CB 3.75Å; M261-L271 HydrophobicContact CG-CD2 4Å; M261-L271 HydrophobicContact CG-CG 4.4Å; M261-L271 HydrophobicContact SD-CB 3.83Å; L271-I273 HydrophobicContact CD1-CD1 3.84Å; L271-I273 HydrophobicContact CD1-CG1 4.33Å; L271-I273 HydrophobicContact CD2-CD1 4.15Å; L271-I273 HydrophobicContact CD2-CG1 4.26Å; L271-I273 HydrophobicContact CG-CD1 4.21Å; L271-I273 HydrophobicContact CG-CG1 4.24Å
272K98.8Very high98.5Very high66 Ų6653.1 Ų53.129%0.28726%0.262SS..EExtended strand (participates in β ladder)trans-123.9121.5166.5-167.8-179.8-179.998.50110.1L243 L244 Q245 Y274 S291 E295L243-K272 PolarHBondContact O-N 3.24Å; L244-K272 HydrophobicContact CD2-CB 3.78Å; L244-K272 HydrophobicContact CD2-CD 4.39Å; Q245-K272 PolarHBondContact N-O 3.16Å; K272-Y274 HydrophobicContact CD-CE1 4.41Å; K272-Y274 HydrophobicContact CD-CE2 4.09Å; K272-Y274 WeakPolarHBondContact CD-OH 3.4Å; K272-Y274 HydrophobicContact CG-CE2 4.25Å; K272-S291 WeakPolarHBondContact CE-OG 3.38Å; K272-E295 HydrophobicContact CD-CG 3.64Å; K272-E295 WeakPolarHBondContact CE-OE1 3.16Å; K272-E295 IonicContact NZ-OE1 3.83Å; K272-E295 PolarHBondContact NZ-OE1 3.33Å
273I98.8Very high98.5Very high49 Ų4947 Ų4725%0.25123%0.233SC..EExtended strand (participates in β ladder)trans-93.6132.8174-60.4-66.9000109.4Q245 Y258 L271Q245-I273 HydrophobicContact CB-CD1 3.93Å; Q245-I273 HydrophobicContact CG-CD1 4.1Å; Q245-I273 CarbonylContact O-C 3.47Å; Q245-I273 VanDerWaalsContact O-CA 3.3Å; Q245-I273 WeakPolarHBondContact O-CA 3.11Å; Y258-I273 HydrophobicContact CE1-CD1 4.37Å; Y258-I273 HydrophobicContact CE1-CG1 4.42Å; L271-I273 HydrophobicContact CD1-CD1 3.84Å; L271-I273 HydrophobicContact CD1-CG1 4.33Å; L271-I273 HydrophobicContact CD2-CD1 4.15Å; L271-I273 HydrophobicContact CD2-CG1 4.26Å; L271-I273 HydrophobicContact CG-CD1 4.21Å; L271-I273 HydrophobicContact CG-CG1 4.24Å
274Y98.8Very high98.5Very high17 Ų1745.5 Ų45.57%0.06722%0.222CC..EExtended strand (participates in β ladder)trans-102.4104.9171.9-69.6-86.2000109.7L244 Q245 S247 K272 G276 A277 L281 V288 S291 V292L244-Y274 HydrophobicContact CB-CE2 4.18Å; L244-Y274 HydrophobicContact CD2-CE2 4.18Å; Q245-Y274 PolarHBondContact O-N 3.46Å; S247-Y274 PolarHBondContact N-O 2.82Å; K272-Y274 HydrophobicContact CD-CE1 4.41Å; K272-Y274 HydrophobicContact CD-CE2 4.09Å; K272-Y274 WeakPolarHBondContact CD-OH 3.4Å; K272-Y274 HydrophobicContact CG-CE2 4.25Å; Y274-G276 PolarHBondContact O-N 2.97Å; Y274-A277 WeakPolarHBondContact O-CB 3.45Å; Y274-A277 PolarHBondContact O-N 3.22Å; Y274-L281 HydrophobicContact CD2-CD1 3.87Å; Y274-L281 HydrophobicContact CD2-CD2 4.3Å; Y274-L281 HydrophobicContact CE2-CD1 4.29Å; Y274-L281 HydrophobicContact CG-CD2 4.46Å; Y274-V288 HydrophobicContact CD1-CB 4.3Å; Y274-V288 HydrophobicContact CD1-CG1 3.73Å; Y274-V288 HydrophobicContact CD1-CG2 4.17Å; Y274-V288 HydrophobicContact CE1-CG1 4.17Å; Y274-V288 HydrophobicContact CG-CG1 3.99Å; Y274-S291 WeakPolarHBondContact CE1-OG 3.37Å; Y274-S291 PolarHBondContact OH-OG 3.48Å; Y274-S291 VanDerWaalsContact OH-OG 3.04Å; Y274-V292 HydrophobicContact CE1-CG2 4.26Å; Y274-V292 HydrophobicContact CE2-CG2 3.77Å; Y274-V292 WeakPolarHBondContact OH-CA 3.44Å; Y274-V292 PolarHBondContact OH-N 3.01Å
275E98.6Very high98.6Very high154 Ų15447.8 Ų47.872%0.7223%0.234SC*.THydrogen-bonded Turntrans-63.9127.9-175.2-163.755.4-123.800111.6S247 A277S247-E275 WeakPolarHBondContact OG-CA 3.43Å; S247-E275 VanDerWaalsContact OG-CD 3.24Å; S247-E275 PolarHBondContact OG-OE1 2.78Å; E275-A277 PolarHBondContact O-N 3.16Å; E275-A277 VanDerWaalsContact O-N 3.14Å
276G98.1Very high98.6Very high25 Ų2545.9 Ų45.926%0.25823%0.234SC..THydrogen-bonded Turntrans70.3-2.3-177.900000115.4R196 S247 Y274R196-G276 WeakPolarHBondContact CD-O 3.3Å; R196-G276 VanDerWaalsContact CZ-O 3.26Å; R196-G276 PolarHBondContact NE-O 2.94Å; R196-G276 PolarHBondContact NH1-O 3.42Å; S247-G276 PolarHBondContact OG-N 3.06Å; Y274-G276 PolarHBondContact O-N 2.97Å
277A98.6Very high98.6Very high0 Ų053.1 Ų53.10%027%0.267CS..  trans-74.9147.4177.900000111.8G246 A248 Y274 E275 L281 E284 V288G246-A277 CarbonylContact C-O 3.53Å; G246-A277 WeakPolarHBondContact CA-O 3.47Å; A248-A277 CarbonylContact C-O 3.58Å; A248-A277 PolarHBondContact N-O 3.44Å; A248-A277 VanDerWaalsContact N-O 3.13Å; Y274-A277 WeakPolarHBondContact O-CB 3.45Å; Y274-A277 PolarHBondContact O-N 3.22Å; E275-A277 PolarHBondContact O-N 3.16Å; E275-A277 VanDerWaalsContact O-N 3.14Å; A277-L281 HydrophobicContact CB-CD2 3.63Å; A277-E284 HydrophobicContact CB-CG 4.39Å; A277-V288 HydrophobicContact CB-CG1 4.2Å; A277-V288 HydrophobicContact CB-CG2 4.19Å
278Y98.4Very high98.6Very high58 Ų5845 Ų4523%0.22723%0.23CC..  trans-89-157.2180-68.25.2000111.1V193 L194 R196 A248 L281 E284V193-Y278 WeakPolarHBondContact O-CD2 3.47Å; L194-Y278 WeakPolarHBondContact O-CB 3.21Å; R196-Y278 HydrophobicContact CG-CD1 3.82Å; R196-Y278 HydrophobicContact CG-CD2 3.86Å; R196-Y278 HydrophobicContact CG-CE1 3.7Å; R196-Y278 HydrophobicContact CG-CE2 3.76Å; R196-Y278 HydrophobicContact CG-CG 3.89Å; A248-Y278 HydrophobicContact CB-CD1 3.93Å; A248-Y278 HydrophobicContact CB-CE1 4.02Å; Y278-L281 VanDerWaalsContact O-CD2 3.28Å; Y278-L281 WeakPolarHBondContact O-CD2 3.42Å; Y278-E284 WeakPolarHBondContact CB-OE1 3.39Å; Y278-E284 PolarHBondContact N-OE1 3.23Å; Y278-E284 VanDerWaalsContact N-OE1 3.08Å
279H98.1Very high98.6Very high4 Ų443.4 Ų43.42%0.01922%0.223CC..SBendtrans-72.2-46.6-168-172.254.7000113.9H131 S132 S156 L194 D249 L251 C252 L281H131-H279 AromaticContact CE1-CD2 3.66Å; H131-H279 AromaticContact CE1-CE1 3.9Å; H131-H279 AromaticContact CE1-NE2 3.5Å; H131-H279 PolarHBondContact CE1-O 2.8Å; H131-H279 AromaticContact NE2-CD2 3.81Å; H131-H279 AromaticContact NE2-NE2 3.74Å; S132-H279 WeakPolarHBondContact CB-NE2 3.49Å; S132-H279 PolarHBondContact OG-CE1 3.5Å; S132-H279 PolarHBondContact OG-NE2 3.16Å; S156-H279 WeakPolarHBondContact CB-O 3.38Å; S156-H279 PolarHBondContact OG-O 3.33Å; L194-H279 PolarHBondContact O-N 2.98Å; L194-H279 VanDerWaalsContact O-N 3.13Å; D249-H279 VanDerWaalsContact CG-ND1 3.29Å; D249-H279 IonicContact OD1-CG 2.73Å; D249-H279 IonicContact OD1-ND1 3.32Å; D249-H279 PolarHBondContact OD1-ND1 3.4Å; D249-H279 VanDerWaalsContact OD1-ND1 3.13Å; D249-H279 IonicContact OD2-CE1 2.99Å; D249-H279 IonicContact OD2-CG 2.77Å; D249-H279 IonicContact OD2-ND1 3.58Å; D249-H279 PolarHBondContact OD2-ND1 3.27Å; L251-H279 HydrophobicContact CD1-CB 4.31Å; C252-H279 PolarHBondContact SG-CE1 3.13Å; H279-L281 PolarHBondContact O-N 3.04Å; H279-L281 VanDerWaalsContact O-N 3.14Å
280V98.2Very high98.6Very high15 Ų1545.6 Ų45.69%0.09124%0.237CC..  trans-9470.6-168.9-166.50000110.3L194 H282 K283 E284L194-V280 HydrophobicContact CB-CG2 3.84Å; L194-V280 HydrophobicContact CD2-CG2 4.42Å; L194-V280 PolarHBondContact O-N 3.01Å; V280-H282 VanDerWaalsContact CG1-CE1 3.46Å; V280-H282 WeakPolarHBondContact CG1-CE1 3.2Å; V280-H282 PolarHBondContact O-N 3.18Å; V280-H282 VanDerWaalsContact O-N 3.1Å; V280-K283 HydrophobicContact CB-CB 4.49Å; V280-K283 HydrophobicContact CG1-CB 3.78Å; V280-K283 HydrophobicContact CG1-CG 4.02Å; V280-K283 CarbonylContact O-C 3.58Å; V280-K283 VanDerWaalsContact O-C 3.26Å; V280-K283 WeakPolarHBondContact O-CA 3.49Å; V280-K283 PolarHBondContact O-N 3.36Å; V280-E284 PolarHBondContact O-N 2.83Å
281L98.8Very high98.6Very high0 Ų044.1 Ų44.10%023%0.229CC..G310 helixtrans-58.2-28.1-170.9-59.1175.8000114.8I155 L244 Y274 A277 Y278 H279 K283 V288 T289 V292I155-L281 HydrophobicContact CG2-CB 3.87Å; I155-L281 HydrophobicContact CG2-CD1 4.14Å; I155-L281 HydrophobicContact CG2-CG 4.27Å; L244-L281 HydrophobicContact CB-CD1 3.93Å; Y274-L281 HydrophobicContact CD2-CD1 3.87Å; Y274-L281 HydrophobicContact CD2-CD2 4.3Å; Y274-L281 HydrophobicContact CE2-CD1 4.29Å; Y274-L281 HydrophobicContact CG-CD2 4.46Å; A277-L281 HydrophobicContact CB-CD2 3.63Å; Y278-L281 VanDerWaalsContact O-CD2 3.28Å; Y278-L281 WeakPolarHBondContact O-CD2 3.42Å; H279-L281 PolarHBondContact O-N 3.04Å; H279-L281 VanDerWaalsContact O-N 3.14Å; L281-K283 PolarHBondContact O-N 2.85Å; L281-V288 HydrophobicContact CB-CG1 4.48Å; L281-V288 HydrophobicContact CD2-CG1 4.15Å; L281-T289 PolarHBondContact O-OG1 2.67Å; L281-V292 HydrophobicContact CB-CG2 3.81Å
282H98.5Very high98.6Very high3 Ų341.9 Ų41.91%0.01422%0.218CC..G310 helixtrans-81.6-1.8177.760-81000113.1L71 H131 I155 V280 T289 V292 F293L71-H282 HydrophobicContact CD1-CB 4.15Å; H131-H282 AromaticContact CD2-CE1 3.73Å; H131-H282 AromaticContact CG-CE1 3.75Å; I155-H282 HydrophobicContact CD1-CB 4.3Å; V280-H282 VanDerWaalsContact CG1-CE1 3.46Å; V280-H282 WeakPolarHBondContact CG1-CE1 3.2Å; V280-H282 PolarHBondContact O-N 3.18Å; V280-H282 VanDerWaalsContact O-N 3.1Å; H282-T289 WeakPolarHBondContact O-CG2 3.42Å; H282-V292 HydrophobicContact CB-CG1 4.23Å; H282-F293 HydrophobicContact CB-CE2 4.36Å
283K98.6Very high98.6Very high26 Ų2640.7 Ų40.711%0.11321%0.213CC..G310 helixtrans-135.132.5174.7-60.7-62.7-165.4172.80110.4E70 S195 E200 V280 L281E70-K283 IonicContact OE2-NZ 3.81Å; E70-K283 PolarHBondContact OE2-NZ 3.28Å; S195-K283 WeakPolarHBondContact CB-O 3.42Å; S195-K283 PolarHBondContact OG-O 3.26Å; E200-K283 HydrophobicContact CB-CB 4.13Å; E200-K283 WeakPolarHBondContact CB-O 3.45Å; E200-K283 HydrophobicContact CG-CB 4.06Å; E200-K283 HydrophobicContact CG-CD 4.47Å; E200-K283 IonicContact OE1-NZ 3.11Å; E200-K283 WeakPolarHBondContact OE2-CD 3.37Å; E200-K283 IonicContact OE2-NZ 2.63Å; V280-K283 HydrophobicContact CB-CB 4.49Å; V280-K283 HydrophobicContact CG1-CB 3.78Å; V280-K283 HydrophobicContact CG1-CG 4.02Å; V280-K283 CarbonylContact O-C 3.58Å; V280-K283 VanDerWaalsContact O-C 3.26Å; V280-K283 WeakPolarHBondContact O-CA 3.49Å; V280-K283 PolarHBondContact O-N 3.36Å; L281-K283 PolarHBondContact O-N 2.85Å
284E98.6Very high98.6Very high1 Ų143.6 Ų43.61%0.00523%0.225CC..SBendtrans-90.6-168.1179.2-113-73.6160.100111.1S195 R196 N197 A277 Y278 V280 V288 T289S195-E284 WeakPolarHBondContact OG-CA 3.5Å; R196-E284 WeakPolarHBondContact CG-OE1 3.47Å; R196-E284 IonicContact CZ-OE2 3.3Å; R196-E284 VanDerWaalsContact CZ-OE2 3.3Å; R196-E284 PolarHBondContact N-OE1 3.39Å; R196-E284 IonicContact NE-OE1 3.17Å; R196-E284 PolarHBondContact NE-OE1 2.95Å; R196-E284 VanDerWaalsContact NE-OE1 3.17Å; R196-E284 IonicContact NE-OE2 2.94Å; R196-E284 PolarHBondContact NE-OE2 3.14Å; R196-E284 IonicContact NH2-OE2 2.78Å; R196-E284 PolarHBondContact NH2-OE2 2.73Å; N197-E284 WeakPolarHBondContact CB-O 3.37Å; N197-E284 PolarHBondContact ND2-O 2.8Å; N197-E284 VanDerWaalsContact ND2-O 3.11Å; A277-E284 HydrophobicContact CB-CG 4.39Å; Y278-E284 WeakPolarHBondContact CB-OE1 3.39Å; Y278-E284 PolarHBondContact N-OE1 3.23Å; Y278-E284 VanDerWaalsContact N-OE1 3.08Å; V280-E284 PolarHBondContact O-N 2.83Å; E284-V288 HydrophobicContact CB-CB 3.95Å; E284-V288 HydrophobicContact CB-CG1 3.72Å; E284-V288 HydrophobicContact CG-CG1 4.28Å; E284-T289 PolarHBondContact N-OG1 2.96Å; E284-T289 PolarHBondContact O-OG1 3.08Å
285L98.7Very high98.6Very high50 Ų5045.3 Ų45.326%0.26223%0.234SC..  trans-53.5146.6171-66.2179.1000110.8R196 N197 E287 V288 T289R196-L285 HydrophobicContact CB-CD1 4.29Å; R196-L285 HydrophobicContact CB-CD2 4.33Å; R196-L285 HydrophobicContact CB-CG 4.05Å; N197-L285 HydrophobicContact CB-CD2 4.28Å; L285-E287 HydrophobicContact CB-CG 4.32Å; L285-E287 PolarHBondContact O-N 3.19Å; L285-V288 PolarHBondContact O-N 3.11Å; L285-T289 PolarHBondContact O-N 2.98Å; L285-T289 PolarHBondContact O-OG1 2.94Å
286P98.4Very high98.6Very high80 Ų8038 Ų3852%0.51920%0.199SC..Hα-helixtrans-52.4-38.5-171.2-29.935.6000114.4T289 N290P286-T289 PolarHBondContact O-N 3.45Å; P286-N290 WeakPolarHBondContact O-CB 3.43Å; P286-N290 PolarHBondContact O-N 2.78Å; P286-N290 PolarHBondContact O-ND2 3.13Å; P286-N290 PolarHBondContact O-OD1 2.94Å
287E98.4Very high98.6Very high155 Ų15539 Ų3972%0.72420%0.199SC*.Hα-helixtrans-62.7-41177.532.6-177.6160.900113.2L285 S291L285-E287 HydrophobicContact CB-CG 4.32Å; L285-E287 PolarHBondContact O-N 3.19Å; E287-S291 WeakPolarHBondContact O-CB 3.38Å; E287-S291 PolarHBondContact O-N 3.17Å
288V98.8Very high98.6Very high15 Ų1542.7 Ų42.79%0.09122%0.217CC..Hα-helixtrans-70.2-50174.1171.30000110.1Y274 A277 L281 E284 L285 N290 S291 V292Y274-V288 HydrophobicContact CD1-CB 4.3Å; Y274-V288 HydrophobicContact CD1-CG1 3.73Å; Y274-V288 HydrophobicContact CD1-CG2 4.17Å; Y274-V288 HydrophobicContact CE1-CG1 4.17Å; Y274-V288 HydrophobicContact CG-CG1 3.99Å; A277-V288 HydrophobicContact CB-CG1 4.2Å; A277-V288 HydrophobicContact CB-CG2 4.19Å; L281-V288 HydrophobicContact CB-CG1 4.48Å; L281-V288 HydrophobicContact CD2-CG1 4.15Å; E284-V288 HydrophobicContact CB-CB 3.95Å; E284-V288 HydrophobicContact CB-CG1 3.72Å; E284-V288 HydrophobicContact CG-CG1 4.28Å; L285-V288 PolarHBondContact O-N 3.11Å; V288-N290 PolarHBondContact O-N 3.1Å; V288-S291 PolarHBondContact O-N 2.67Å; V288-S291 VanDerWaalsContact O-N 3.16Å; V288-V292 HydrophobicContact CG1-CG2 4.27Å; V288-V292 WeakPolarHBondContact O-CG2 3.43Å; V288-V292 PolarHBondContact O-N 3.02Å
289T98.8Very high98.6Very high20 Ų2040.5 Ų40.512%0.12321%0.209CC..Hα-helixtrans-60.2-45.2-178-58.90000111.8L281 H282 E284 L285 P286 S291 V292 F293L281-T289 PolarHBondContact O-OG1 2.67Å; H282-T289 WeakPolarHBondContact O-CG2 3.42Å; E284-T289 PolarHBondContact N-OG1 2.96Å; E284-T289 PolarHBondContact O-OG1 3.08Å; L285-T289 PolarHBondContact O-N 2.98Å; L285-T289 PolarHBondContact O-OG1 2.94Å; P286-T289 PolarHBondContact O-N 3.45Å; T289-S291 VanDerWaalsContact C-N 3.32Å; T289-S291 PolarHBondContact O-N 3.4Å; T289-V292 WeakPolarHBondContact O-CB 3.24Å; T289-V292 PolarHBondContact O-N 2.98Å; T289-V292 VanDerWaalsContact O-N 3.16Å; T289-F293 HydrophobicContact CG2-CD2 3.93Å; T289-F293 HydrophobicContact CG2-CE2 3.72Å; T289-F293 WeakPolarHBondContact O-CD2 3.43Å; T289-F293 PolarHBondContact O-N 3.06Å
290N98.7Very high98.6Very high112 Ų11240.3 Ų40.360%0.59921%0.208SC*.Hα-helixtrans-61.3-41.4176.8-70.4-15.7000111.6P286 V288 F293 H294P286-N290 WeakPolarHBondContact O-CB 3.43Å; P286-N290 PolarHBondContact O-N 2.78Å; P286-N290 PolarHBondContact O-ND2 3.13Å; P286-N290 PolarHBondContact O-OD1 2.94Å; V288-N290 PolarHBondContact O-N 3.1Å; N290-F293 PolarHBondContact O-N 3.47Å; N290-H294 WeakPolarHBondContact O-CB 3.09Å; N290-H294 PolarHBondContact O-N 3.07Å
291S98.8Very high98.6Very high30 Ų3041.3 Ų41.321%0.2122%0.215CC..Hα-helixtrans-65.1-42.9174.5173.90000111.5K272 Y274 E287 V288 T289 F293 H294 E295K272-S291 WeakPolarHBondContact CE-OG 3.38Å; Y274-S291 WeakPolarHBondContact CE1-OG 3.37Å; Y274-S291 PolarHBondContact OH-OG 3.48Å; Y274-S291 VanDerWaalsContact OH-OG 3.04Å; E287-S291 WeakPolarHBondContact O-CB 3.38Å; E287-S291 PolarHBondContact O-N 3.17Å; V288-S291 PolarHBondContact O-N 2.67Å; V288-S291 VanDerWaalsContact O-N 3.16Å; T289-S291 VanDerWaalsContact C-N 3.32Å; T289-S291 PolarHBondContact O-N 3.4Å; S291-F293 VanDerWaalsContact C-N 3.33Å; S291-F293 PolarHBondContact O-N 2.81Å; S291-H294 PolarHBondContact O-N 3.28Å; S291-E295 WeakPolarHBondContact O-CB 3.42Å; S291-E295 WeakPolarHBondContact O-CG 3.45Å; S291-E295 PolarHBondContact O-N 3.14Å
292V98.8Very high98.6Very high0 Ų046.5 Ų46.50%024%0.239CC..Hα-helixtrans-56.3-49.1176.1166.50000110.6L244 Y274 L281 H282 V288 T289 H294 E295 I296L244-V292 HydrophobicContact CD1-CB 4.38Å; L244-V292 HydrophobicContact CD1-CG1 3.87Å; L244-V292 HydrophobicContact CD1-CG2 4.3Å; Y274-V292 HydrophobicContact CE1-CG2 4.26Å; Y274-V292 HydrophobicContact CE2-CG2 3.77Å; Y274-V292 WeakPolarHBondContact OH-CA 3.44Å; Y274-V292 PolarHBondContact OH-N 3.01Å; L281-V292 HydrophobicContact CB-CG2 3.81Å; H282-V292 HydrophobicContact CB-CG1 4.23Å; V288-V292 HydrophobicContact CG1-CG2 4.27Å; V288-V292 WeakPolarHBondContact O-CG2 3.43Å; V288-V292 PolarHBondContact O-N 3.02Å; T289-V292 WeakPolarHBondContact O-CB 3.24Å; T289-V292 PolarHBondContact O-N 2.98Å; T289-V292 VanDerWaalsContact O-N 3.16Å; V292-H294 VanDerWaalsContact C-N 3.34Å; V292-H294 PolarHBondContact O-N 3.44Å; V292-E295 PolarHBondContact O-N 2.93Å; V292-I296 HydrophobicContact CG1-CD1 3.77Å; V292-I296 VanDerWaalsContact O-CG1 3.22Å; V292-I296 WeakPolarHBondContact O-CG1 3.39Å; V292-I296 PolarHBondContact O-N 2.97Å
293F98.8Very high98.5Very high40 Ų4048.4 Ų48.418%0.17525%0.247CC..Hα-helixtrans-61.4-43.2178.4-84.6-122.3000111.6E70 L71 M74 H282 T289 N290 S291 N297E70-F293 HydrophobicContact CB-CE1 3.98Å; E70-F293 HydrophobicContact CB-CZ 3.9Å; L71-F293 HydrophobicContact CB-CE1 4.27Å; L71-F293 HydrophobicContact CB-CZ 3.99Å; L71-F293 HydrophobicContact CD1-CE2 4.26Å; L71-F293 HydrophobicContact CD1-CZ 4.47Å; L71-F293 HydrophobicContact CG-CZ 4.49Å; M74-F293 HydrophobicContact CB-CD1 4.23Å; M74-F293 HydrophobicContact CB-CE1 4.49Å; M74-F293 HydrophobicContact CG-CD1 4.36Å; H282-F293 HydrophobicContact CB-CE2 4.36Å; T289-F293 HydrophobicContact CG2-CD2 3.93Å; T289-F293 HydrophobicContact CG2-CE2 3.72Å; T289-F293 WeakPolarHBondContact O-CD2 3.43Å; T289-F293 PolarHBondContact O-N 3.06Å; N290-F293 PolarHBondContact O-N 3.47Å; S291-F293 VanDerWaalsContact C-N 3.33Å; S291-F293 PolarHBondContact O-N 2.81Å; F293-N297 WeakPolarHBondContact O-CB 3.43Å; F293-N297 PolarHBondContact O-N 3.21Å
294H98.8Very high98.3Very high111 Ų11147.8 Ų47.851%0.51425%0.245SC..Hα-helixtrans-63.1-46.3178.1-179.667.7000112.7N290 S291 V292 N297 M298N290-H294 WeakPolarHBondContact O-CB 3.09Å; N290-H294 PolarHBondContact O-N 3.07Å; S291-H294 PolarHBondContact O-N 3.28Å; V292-H294 VanDerWaalsContact C-N 3.34Å; V292-H294 PolarHBondContact O-N 3.44Å; H294-N297 WeakPolarHBondContact O-CB 3.46Å; H294-N297 PolarHBondContact O-N 3.16Å; H294-M298 WeakPolarHBondContact O-CB 3.45Å; H294-M298 WeakPolarHBondContact O-CG 3.46Å; H294-M298 PolarHBondContact O-N 2.77Å
295E98.8Very high97.3Very high52 Ų5251.1 Ų51.124%0.24327%0.272CS..Hα-helixtrans-64.7-42.6-179.1-66.3-69.8167.200111.6L242 L244 K272 S291 V292 M298 W299L242-E295 HydrophobicContact CD2-CB 4.41Å; L244-E295 HydrophobicContact CD2-CB 4.47Å; K272-E295 HydrophobicContact CD-CG 3.64Å; K272-E295 WeakPolarHBondContact CE-OE1 3.16Å; K272-E295 IonicContact NZ-OE1 3.83Å; K272-E295 PolarHBondContact NZ-OE1 3.33Å; S291-E295 WeakPolarHBondContact O-CB 3.42Å; S291-E295 WeakPolarHBondContact O-CG 3.45Å; S291-E295 PolarHBondContact O-N 3.14Å; V292-E295 PolarHBondContact O-N 2.93Å; E295-M298 PolarHBondContact O-N 3.34Å; E295-W299 WeakPolarHBondContact O-CB 3.46Å; E295-W299 PolarHBondContact O-N 2.69Å
296I98.8Very high95.4Very high0 Ų053 Ų530%029%0.286CS..Hα-helixtrans-63.1-46.8175.3-64.5173000110.1L71 M74 L75 L129 V153 I155 L242 L244 V292 M298 W299 V300L71-I296 HydrophobicContact CD1-CD1 3.88Å; M74-I296 HydrophobicContact CE-CB 4.16Å; M74-I296 HydrophobicContact CE-CG2 3.89Å; L75-I296 HydrophobicContact CD2-CG2 4.09Å; L129-I296 HydrophobicContact CD1-CD1 4.47Å; L129-I296 HydrophobicContact CD1-CG2 4.43Å; V153-I296 HydrophobicContact CG1-CD1 3.83Å; V153-I296 HydrophobicContact CG1-CG1 3.71Å; V153-I296 HydrophobicContact CG1-CG2 4.28Å; V153-I296 HydrophobicContact CG2-CG2 4.39Å; I155-I296 HydrophobicContact CD1-CD1 3.95Å; I155-I296 HydrophobicContact CG1-CD1 4.48Å; L242-I296 HydrophobicContact CD2-CG1 4.13Å; L244-I296 HydrophobicContact CD1-CD1 4.04Å; L244-I296 HydrophobicContact CD1-CG1 3.88Å; V292-I296 HydrophobicContact CG1-CD1 3.77Å; V292-I296 VanDerWaalsContact O-CG1 3.22Å; V292-I296 WeakPolarHBondContact O-CG1 3.39Å; V292-I296 PolarHBondContact O-N 2.97Å; I296-M298 PolarHBondContact O-N 2.88Å; I296-W299 PolarHBondContact O-N 3.44Å; I296-V300 HydrophobicContact CG2-CG2 4.17Å; I296-V300 WeakPolarHBondContact O-CB 3.33Å; I296-V300 VanDerWaalsContact O-CG2 3.28Å; I296-V300 WeakPolarHBondContact O-CG2 3.3Å; I296-V300 PolarHBondContact O-N 3.28Å
297N98.7Very high93.3Very high47 Ų4751.3 Ų51.325%0.25128%0.279SS..Hα-helixtrans-56.1-51.9178.6-176.1-60.3000111.2M74 L78 F293 H294 S301M74-N297 HydrophobicContact CE-CB 4.23Å; M74-N297 HydrophobicContact SD-CB 3.64Å; M74-N297 PolarHBondContact SD-ND2 3.39Å; M74-N297 VanDerWaalsContact SD-ND2 3.4Å; L78-N297 HydrophobicContact CD1-CB 4.42Å; F293-N297 WeakPolarHBondContact O-CB 3.43Å; F293-N297 PolarHBondContact O-N 3.21Å; H294-N297 WeakPolarHBondContact O-CB 3.46Å; H294-N297 PolarHBondContact O-N 3.16Å; N297-S301 WeakPolarHBondContact O-CB 3.36Å; N297-S301 PolarHBondContact O-N 3.26Å; N297-S301 PolarHBondContact O-OG 3.32Å; N297-S301 PolarHBondContact OD1-OG 3.33Å
298M98.5Very high90.9Very high78 Ų7847.2 Ų47.238%0.38428%0.278SS..Hα-helixtrans-62.2-47.7-179.7-72.3-60.5-61.200111.7H294 E295 I296 S301 Q302H294-M298 WeakPolarHBondContact O-CB 3.45Å; H294-M298 WeakPolarHBondContact O-CG 3.46Å; H294-M298 PolarHBondContact O-N 2.77Å; E295-M298 PolarHBondContact O-N 3.34Å; I296-M298 PolarHBondContact O-N 2.88Å; M298-S301 PolarHBondContact O-N 2.9Å; M298-Q302 VanDerWaalsContact O-CG 3.23Å; M298-Q302 WeakPolarHBondContact O-CG 3.28Å; M298-Q302 PolarHBondContact O-N 2.89Å; M298-Q302 VanDerWaalsContact O-N 3.08Å
299W98.7Very high88.2Confident12 Ų1252 Ų525%0.04531%0.308CS..Hα-helixtrans-65-43-175.8-169.597.5000112.3F127 V153 P240 F241 L242 E295 I296 R303F127-W299 HydrophobicContact CD1-CZ3 4.13Å; F127-W299 HydrophobicContact CE1-CZ3 4.04Å; V153-W299 HydrophobicContact CG2-CE3 4.09Å; V153-W299 HydrophobicContact CG2-CZ3 4.26Å; P240-W299 HydrophobicContact CB-CH2 4.09Å; P240-W299 HydrophobicContact CB-CZ2 4.06Å; F241-W299 VanDerWaalsContact C-CZ2 3.42Å; L242-W299 HydrophobicContact CB-CD2 3.77Å; L242-W299 HydrophobicContact CB-CE3 4.41Å; L242-W299 HydrophobicContact CB-CG 3.8Å; L242-W299 HydrophobicContact CB-CZ2 4.45Å; L242-W299 HydrophobicContact CD2-CB 3.85Å; L242-W299 HydrophobicContact CD2-CG 4.03Å; L242-W299 HydrophobicContact CG-CG 4.33Å; E295-W299 WeakPolarHBondContact O-CB 3.46Å; E295-W299 PolarHBondContact O-N 2.69Å; I296-W299 PolarHBondContact O-N 3.44Å; W299-R303 VanDerWaalsContact CD1-NH1 3.29Å; W299-R303 VanDerWaalsContact CZ2-CD 3.44Å; W299-R303 VanDerWaalsContact NE1-NH2 3.19Å; W299-R303 PolarHBondContact O-NH1 3.16Å
300V98.4Very high85.3Confident0 Ų055 Ų550%033%0.334CS..Hα-helixtrans-69.1-46.8177.3173.50000110.4L75 L78 L80 V153 I296 Q302 R303 T304L75-V300 HydrophobicContact CD2-CB 4.47Å; L75-V300 HydrophobicContact CD2-CG1 4.29Å; L75-V300 HydrophobicContact CD2-CG2 4.16Å; L78-V300 HydrophobicContact CD1-CG1 4.43Å; L80-V300 HydrophobicContact CD1-CG1 4.1Å; L80-V300 HydrophobicContact CD2-CG1 3.61Å; V153-V300 HydrophobicContact CG2-CG2 4.08Å; I296-V300 HydrophobicContact CG2-CG2 4.17Å; I296-V300 WeakPolarHBondContact O-CB 3.33Å; I296-V300 VanDerWaalsContact O-CG2 3.28Å; I296-V300 WeakPolarHBondContact O-CG2 3.3Å; I296-V300 PolarHBondContact O-N 3.28Å; V300-Q302 VanDerWaalsContact C-N 3.31Å; V300-Q302 PolarHBondContact O-N 3.47Å; V300-R303 PolarHBondContact O-N 2.95Å; V300-T304 HydrophobicContact CG1-CG2 4.09Å; V300-T304 PolarHBondContact O-N 3.21Å; V300-T304 PolarHBondContact O-OG1 3.12Å
301S97.8Very high81.9Confident35 Ų3554.6 Ų54.625%0.24534%0.34CS..Hα-helixtrans-57-42.1-179.8-64.50000112.8L78 N297 M298 R303 T304 A305L78-S301 WeakPolarHBondContact CD1-OG 3.4Å; L78-S301 WeakPolarHBondContact CD2-OG 3.41Å; N297-S301 WeakPolarHBondContact O-CB 3.36Å; N297-S301 PolarHBondContact O-N 3.26Å; N297-S301 PolarHBondContact O-OG 3.32Å; N297-S301 PolarHBondContact OD1-OG 3.33Å; M298-S301 PolarHBondContact O-N 2.9Å; S301-R303 PolarHBondContact O-N 3.27Å; S301-T304 PolarHBondContact O-OG1 3.49Å; S301-A305 WeakPolarHBondContact O-CB 3.49Å; S301-A305 PolarHBondContact O-N 3.27Å; S301-A305 VanDerWaalsContact O-N 3.12Å
302Q97.7Very high78.9Confident109 Ų10958.7 Ų58.751%0.50937%0.366SS..Hα-helixtrans-63.7-30.5178.4-72.5167.95.400113M298 V300 T306M298-Q302 VanDerWaalsContact O-CG 3.23Å; M298-Q302 WeakPolarHBondContact O-CG 3.28Å; M298-Q302 PolarHBondContact O-N 2.89Å; M298-Q302 VanDerWaalsContact O-N 3.08Å; V300-Q302 VanDerWaalsContact C-N 3.31Å; V300-Q302 PolarHBondContact O-N 3.47Å; Q302-T306 PolarHBondContact O-OG1 3.02Å
303R97.4Very high76.1Confident44 Ų4468.3 Ų68.317%0.16643%0.428CS..Hα-helixtrans-95.3-16.9-175.8-73.6167.9-175.471.21.5113.8F127 D268 W299 V300 S301 T306F127-R303 HydrophobicContact CE1-CB 4.05Å; F127-R303 HydrophobicContact CZ-CB 3.97Å; D268-R303 IonicContact OD1-CZ 3.53Å; D268-R303 IonicContact OD1-NH2 2.65Å; D268-R303 PolarHBondContact OD1-NH2 2.9Å; D268-R303 IonicContact OD2-CZ 3.65Å; D268-R303 IonicContact OD2-NE 2.73Å; D268-R303 PolarHBondContact OD2-NE 3.13Å; D268-R303 IonicContact OD2-NH2 3.6Å; D268-R303 PolarHBondContact OD2-NH2 3.08Å; W299-R303 VanDerWaalsContact CD1-NH1 3.29Å; W299-R303 VanDerWaalsContact CZ2-CD 3.44Å; W299-R303 VanDerWaalsContact NE1-NH2 3.19Å; W299-R303 PolarHBondContact O-NH1 3.16Å; V300-R303 PolarHBondContact O-N 2.95Å; S301-R303 PolarHBondContact O-N 3.27Å; R303-T306 PolarHBondContact O-OG1 2.7Å
304T93Very high75Confident13 Ų1369.7 Ų69.78%0.0844%0.441CS..Hα-helixtrans-87.1-29.7170.1540000112.1A53 L80 F127 V300 S301 T306 A307A53-T304 HydrophobicContact CB-CG2 3.88Å; L80-T304 HydrophobicContact CD1-CG2 4.14Å; L80-T304 HydrophobicContact CD2-CG2 4.4Å; L80-T304 HydrophobicContact CG-CG2 4.47Å; F127-T304 HydrophobicContact CE2-CG2 3.74Å; F127-T304 HydrophobicContact CZ-CG2 4.05Å; V300-T304 HydrophobicContact CG1-CG2 4.09Å; V300-T304 PolarHBondContact O-N 3.21Å; V300-T304 PolarHBondContact O-OG1 3.12Å; S301-T304 PolarHBondContact O-OG1 3.49Å; T304-T306 VanDerWaalsContact C-N 3.33Å; T304-T306 PolarHBondContact O-N 3.12Å; T304-A307 PolarHBondContact O-N 3.44Å
305A78.6Confident73.7Confident70 Ų7067.5 Ų67.558%0.57944%0.437SS*.Hα-helixtrans-65-34.1174.800000113.3S301S301-A305 WeakPolarHBondContact O-CB 3.49Å; S301-A305 PolarHBondContact O-N 3.27Å; S301-A305 VanDerWaalsContact O-N 3.12Å
306T59.7Low72.3Confident90 Ų9068.4 Ų68.455%0.55245%0.448SS*.THydrogen-bonded Turntrans-77.7-26-179.525.80000113.4Q302 R303 T304 G308 T309Q302-T306 PolarHBondContact O-OG1 3.02Å; R303-T306 PolarHBondContact O-OG1 2.7Å; T304-T306 VanDerWaalsContact C-N 3.33Å; T304-T306 PolarHBondContact O-N 3.12Å; T306-G308 VanDerWaalsContact C-N 3.25Å; T306-G308 PolarHBondContact O-N 3.22Å; T306-T309 PolarHBondContact O-N 3.29Å; T306-T309 PolarHBondContact O-OG1 3.22Å; T306-T309 VanDerWaalsContact O-OG1 3.09Å
307A54.4Low70.8Confident45 Ų4572.4 Ų72.437%0.37247%0.474SS..G310 helixtrans-69.2-23.8176.200000112.9P125 T304 T309P125-A307 HydrophobicContact CG-CB 3.92Å; T304-A307 PolarHBondContact O-N 3.44Å; A307-T309 VanDerWaalsContact C-N 3.33Å; A307-T309 PolarHBondContact O-N 2.93Å
308G47.7Very low69Low68 Ų6874 Ų7470%0.70149%0.488SS*.G310 helixtrans-77.2-9.7179.200000115.4T306T306-G308 VanDerWaalsContact C-N 3.25Å; T306-G308 PolarHBondContact O-N 3.22Å
309T40.5Very low67Low116 Ų11673.7 Ų73.771%0.71250%0.495SS*.G310 helixtrans-103.9-8.3-178.1570000114T306 A307 S311T306-T309 PolarHBondContact O-N 3.29Å; T306-T309 PolarHBondContact O-OG1 3.22Å; T306-T309 VanDerWaalsContact O-OG1 3.09Å; A307-T309 VanDerWaalsContact C-N 3.33Å; A307-T309 PolarHBondContact O-N 2.93Å; T309-S311 PolarHBondContact O-N 3.11Å
310A38.2Very low64.8Low82 Ų8278.1 Ų78.168%0.67853%0.528SS*.  trans-88.776.4173.100000110.3
311S27.9Very low62.2Low104 Ų10484.2 Ų84.273%0.72757%0.568SS**  trans-66.4138.4162.6-620000109.3T309T309-S311 PolarHBondContact O-N 3.11Å
312P36Very low59.2Low117 Ų11788.3 Ų88.376%0.7660%0.595SS**  trans-69.8152.8174.626-24.5000110.6
313P39.8Very low55.7Low201 Ų20186.4 Ų86.4100%1.30560%0.603SS**  trans-64.90174.428.7-34.6000113.1

Retrieved 313 of 313 residues in 1456 ms (Link to these results)

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