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L-serine dehydratase/L-threonine deaminase

Catalyzes the pyridoxal-phosphate-dependent dehydrative deamination of L-threonine and L-serine to ammonia and alpha-ketobutyrate and pyruvate, respectively.

AlphaFold DB , UniProt , Accession A0A060WGC6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 327 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
1M44Very low69.9Low243 Ų243112.3 Ų112.3100%1.19756%0.556SS**  0125.60-73176.7-96.900107.4
2K42.1Very low72.2Confident187 Ų187108.9 Ų108.981%0.81356%0.559SS**  trans-59.3141.6177.6-74.2-179.1176.2178.90109.4
3N48.5Very low74.3Confident77 Ų77100.7 Ų100.741%0.41252%0.517SS..  trans-54.5129178.4-178.8-11.4000108.5Q5 E6N3-Q5 PolarHBondContact O-N 3.04Å; N3-Q5 PolarHBondContact OD1-N 2.72Å; N3-Q5 VanDerWaalsContact OD1-N 3.15Å; N3-E6 HydrophobicContact CB-CB 4.45Å; N3-E6 HydrophobicContact CB-CG 3.98Å; N3-E6 WeakPolarHBondContact O-CB 3.26Å; N3-E6 PolarHBondContact O-N 3.15Å
4P47Very low76Confident119 Ų11998.6 Ų98.677%0.77351%0.514SS*.THydrogen-bonded Turntrans-52.2-28.9178.4-27.233.8000113.2E6P4-E6 VanDerWaalsContact C-N 3.25Å; P4-E6 PolarHBondContact O-N 2.87Å
5Q52.1Low77.5Confident133 Ų13394.2 Ų94.262%0.62149%0.491SS*.THydrogen-bonded Turntrans-73.9-7.8175.4-63.1-177.7-5.200114.3N3 K52N3-Q5 PolarHBondContact O-N 3.04Å; N3-Q5 PolarHBondContact OD1-N 2.72Å; N3-Q5 VanDerWaalsContact OD1-N 3.15Å; Q5-K52 WeakPolarHBondContact O-CE 3.28Å; Q5-K52 PolarHBondContact O-NZ 2.91Å
6E65.4Low78.8Confident117 Ų11794.6 Ų94.655%0.54748%0.483SS..THydrogen-bonded Turntrans-94.4-23177.6-74176.6165.900113.3N3 P4 K52N3-E6 HydrophobicContact CB-CB 4.45Å; N3-E6 HydrophobicContact CB-CG 3.98Å; N3-E6 WeakPolarHBondContact O-CB 3.26Å; N3-E6 PolarHBondContact O-N 3.15Å; P4-E6 VanDerWaalsContact C-N 3.25Å; P4-E6 PolarHBondContact O-N 2.87Å; E6-K52 PolarHBondContact O-NZ 3.03Å
7R82.3Confident79.9Confident197 Ų19794.6 Ų94.674%0.74348%0.481SS*.SBendtrans-72.1144.2-179.9-163.6174.3179.3171.4-0111.3K52R7-K52 VanDerWaalsContact C-NZ 3.31Å; R7-K52 PolarHBondContact O-NZ 3.3Å
8A92.9Very high81Confident44 Ų4489.4 Ų89.436%0.36446%0.455SS..  trans-62.5150.8171.400000110.6H10A8-H10 VanDerWaalsContact CB-CE1 3.48Å; A8-H10 WeakPolarHBondContact CB-CE1 3.46Å
9L97.8Very high81.9Confident25 Ų2591.8 Ų91.813%0.13147%0.468CS..SBendtrans-81.4-22.7177.7-63.9-179000112.7I44 K80 L81L9-I44 HydrophobicContact CB-CD1 4.03Å; L9-I44 HydrophobicContact CB-CG1 4.28Å; L9-K80 HydrophobicContact CD2-CB 3.84Å; L9-K80 HydrophobicContact CD2-CG 4.48Å; L9-L81 HydrophobicContact CD1-CD1 4Å; L9-L81 HydrophobicContact CD1-CD2 4.45Å; L9-L81 HydrophobicContact CD1-CG 4.12Å
10H98.4Very high82.7Confident34 Ų3489 Ų8916%0.15746%0.459CS..SBendtrans-79.2164.6167.469.7-97.8000110.7A8 I44 R45 S149 E153A8-H10 VanDerWaalsContact CB-CE1 3.48Å; A8-H10 WeakPolarHBondContact CB-CE1 3.46Å; H10-I44 HydrophobicContact CB-CG2 3.88Å; H10-R45 HydrophobicContact CB-CB 4.44Å; H10-R45 HydrophobicContact CB-CG 3.81Å; H10-R45 PolarHBondContact CD2-NH1 3.48Å; H10-S149 PolarHBondContact CE1-OG 3.44Å; H10-S149 WeakPolarHBondContact NE2-CB 3.33Å; H10-S149 PolarHBondContact NE2-OG 3.27Å; H10-E153 IonicContact CD2-OE1 2.74Å; H10-E153 IonicContact NE2-OE1 3.69Å
11V98.3Very high83.4Confident59 Ų5984.8 Ų84.836%0.35844%0.438SS..  trans-112.9156.7171.3-56.70000110T13 Q37 P38V11-T13 HydrophobicContact CG2-CG2 4.05Å; V11-T13 PolarHBondContact O-N 2.84Å; V11-Q37 PolarHBondContact O-NE2 3.35Å; V11-Q37 PolarHBondContact O-OE1 2.9Å; V11-P38 HydrophobicContact CG1-CG 3.98Å
12A98.1Very high85.9Confident72 Ų7274.6 Ų74.660%0.59539%0.389SS*.PPolyproline II helixtrans-67.1116.2165.100000108.1E153A12-E153 WeakPolarHBondContact CA-OE1 3.12Å; A12-E153 WeakPolarHBondContact CA-OE2 3.42Å; A12-E153 HydrophobicContact CB-CG 4.28Å
13T98.6Very high88.5Confident2 Ų274.7 Ų74.71%0.01239%0.39CS..PPolyproline II helixtrans-92.4149.8-177.347.60000110.5V11 L15 K32 L33 D34 Q37 R45 E153V11-T13 HydrophobicContact CG2-CG2 4.05Å; V11-T13 PolarHBondContact O-N 2.84Å; T13-L15 PolarHBondContact O-N 3.44Å; T13-K32 PolarHBondContact O-NZ 2.93Å; T13-K32 WeakPolarHBondContact OG1-CE 3.29Å; T13-L33 WeakPolarHBondContact CB-O 3.34Å; T13-L33 WeakPolarHBondContact CG2-O 3.43Å; T13-D34 PolarHBondContact OG1-OD1 2.87Å; T13-Q37 HydrophobicContact CG2-CG 3.92Å; T13-R45 PolarHBondContact OG1-NH2 3.31Å; T13-R45 VanDerWaalsContact OG1-NH2 3.12Å; T13-E153 PolarHBondContact N-OE2 2.97Å
14P98.4Very high90.7Very high72 Ų7273 Ų7347%0.46838%0.382SS..PPolyproline II helixtrans-59.8142-178.9-22.132.1000112.3L33P14-L33 HydrophobicContact CB-CD1 4.28Å; P14-L33 PolarHBondContact O-N 2.84Å
15L98.6Very high93Very high32 Ų3267.6 Ų67.617%0.16835%0.347CS..EExtended strand (participates in β ladder)trans-100.3106.9163.6-175.463.9000108.3T13 Y30 L31 K32 L154 E157 L158 V301T13-L15 PolarHBondContact O-N 3.44Å; L15-Y30 HydrophobicContact CD1-CD1 4.4Å; L15-Y30 HydrophobicContact CD2-CD1 4.28Å; L15-Y30 HydrophobicContact CG-CD1 3.95Å; L15-L31 WeakPolarHBondContact CA-O 3.23Å; L15-K32 HydrophobicContact CD1-CB 4.22Å; L15-K32 HydrophobicContact CD1-CD 4.32Å; L15-L154 HydrophobicContact CD1-CD2 3.57Å; L15-L154 HydrophobicContact CD2-CD2 3.84Å; L15-L154 HydrophobicContact CG-CD2 4.26Å; L15-E157 HydrophobicContact CB-CB 4.39Å; L15-E157 HydrophobicContact CD2-CB 3.8Å; L15-L158 HydrophobicContact CD2-CD2 3.6Å; L15-L158 HydrophobicContact CD2-CG 3.71Å; L15-V301 HydrophobicContact CD1-CG1 4.23Å
16R98.3Very high94.9Very high100 Ų10064.8 Ų64.838%0.37735%0.354SS..EExtended strand (participates in β ladder)trans-104.9125.8-175.1178.9-172-64.3172.90.9110.4S18 Y30 L31 L33 E264R16-S18 PolarHBondContact O-N 2.82Å; R16-Y30 CarbonylContact O-C 3.54Å; R16-Y30 WeakPolarHBondContact O-CA 3.43Å; R16-L31 HydrophobicContact CB-CB 4.4Å; R16-L31 PolarHBondContact N-O 3.46Å; R16-L31 PolarHBondContact O-N 2.72Å; R16-L33 HydrophobicContact CB-CD1 4.23Å; R16-E264 WeakPolarHBondContact CD-OE2 3.38Å; R16-E264 IonicContact CZ-OE2 3.73Å; R16-E264 IonicContact NE-OE2 3.25Å; R16-E264 PolarHBondContact NH1-O 3.38Å; R16-E264 IonicContact NH1-OE2 2.75Å; R16-E264 PolarHBondContact NH1-OE2 3.2Å
17E98.1Very high96.3Very high95 Ų9560.1 Ų60.144%0.44433%0.333SS..EExtended strand (participates in β ladder)trans-70.6124.7163.1-171.5177.9-163.300109.6Y30E17-Y30 HydrophobicContact CB-CD1 4.04Å; E17-Y30 HydrophobicContact CB-CE1 3.73Å; E17-Y30 HydrophobicContact CG-CE1 4.27Å; E17-Y30 HydrophobicContact CG-CE2 4.46Å
18S98.5Very high97Very high1 Ų152.9 Ų52.91%0.00731%0.313CS..  trans-102.9109.8179.7175.80000110.8R16 A20 L21 T22 V29 E264R16-S18 PolarHBondContact O-N 2.82Å; S18-A20 VanDerWaalsContact C-N 3.31Å; S18-A20 PolarHBondContact O-N 3.39Å; S18-L21 WeakPolarHBondContact OG-CD1 3.33Å; S18-L21 PolarHBondContact OG-N 3.35Å; S18-L21 VanDerWaalsContact OG-N 3.14Å; S18-T22 WeakPolarHBondContact O-CB 3.49Å; S18-T22 PolarHBondContact O-N 3.15Å; S18-T22 PolarHBondContact O-OG1 2.98Å; S18-V29 PolarHBondContact N-O 3.02Å; S18-E264 VanDerWaalsContact CB-OE1 3.23Å; S18-E264 WeakPolarHBondContact CB-OE1 3.36Å; S18-E264 PolarHBondContact OG-OE1 3.39Å
19L97.9Very high97.3Very high136 Ų13650.8 Ų50.871%0.71230%0.296SS*.Hα-helixtrans-64.2-37.4174.1-64.5178.3000112K23L19-K23 WeakPolarHBondContact O-CB 3.45Å; L19-K23 PolarHBondContact O-N 2.81Å
20A97.8Very high97.4Very high35 Ų3552.2 Ų52.229%0.28930%0.3SS..Hα-helixtrans-63.4-50.3-179.600000111.2S18 K23 V24 D263S18-A20 VanDerWaalsContact C-N 3.31Å; S18-A20 PolarHBondContact O-N 3.39Å; A20-K23 PolarHBondContact O-N 3.14Å; A20-V24 WeakPolarHBondContact O-CG2 3.41Å; A20-V24 PolarHBondContact O-N 3.1Å; A20-D263 HydrophobicContact CB-CB 3.94Å
21L98.1Very high97.4Very high0 Ų050.6 Ų50.60%029%0.292CS..Hα-helixtrans-73.8-33179.3-8271.6000112.2S18 K23 V24 A25 V29 L31 F260 E264 L276 V279 Y280 I302S18-L21 WeakPolarHBondContact OG-CD1 3.33Å; S18-L21 PolarHBondContact OG-N 3.35Å; S18-L21 VanDerWaalsContact OG-N 3.14Å; L21-K23 VanDerWaalsContact C-N 3.29Å; L21-K23 PolarHBondContact O-N 3.13Å; L21-V24 PolarHBondContact O-N 3.3Å; L21-V24 VanDerWaalsContact O-N 3.14Å; L21-A25 WeakPolarHBondContact O-CB 3.41Å; L21-A25 PolarHBondContact O-N 3.49Å; L21-V29 HydrophobicContact CB-CB 3.93Å; L21-V29 HydrophobicContact CB-CG1 3.79Å; L21-V29 HydrophobicContact CB-CG2 4.17Å; L21-V29 HydrophobicContact CD2-CG1 4.04Å; L21-L31 HydrophobicContact CD2-CD2 3.97Å; L21-F260 HydrophobicContact CD1-CD2 4.49Å; L21-E264 HydrophobicContact CD1-CG 4.44Å; L21-L276 HydrophobicContact CD2-CD2 4.19Å; L21-V279 HydrophobicContact CB-CG1 4.07Å; L21-V279 HydrophobicContact CD2-CB 4.47Å; L21-V279 HydrophobicContact CD2-CG1 4.47Å; L21-V279 HydrophobicContact CG-CG1 4.12Å; L21-Y280 HydrophobicContact CD1-CE1 4.16Å; L21-Y280 VanDerWaalsContact CD1-OH 3.31Å; L21-Y280 WeakPolarHBondContact CD1-OH 3.38Å; L21-Y280 HydrophobicContact CG-CE1 4.24Å; L21-I302 HydrophobicContact CD2-CD1 3.85Å
22T97.7Very high97.4Very high29 Ų2947.8 Ų47.818%0.17828%0.275CS..Hα-helixtrans-57.7-44172.9-64.80000111.1S18 V24 A25 G26 T27 V29S18-T22 WeakPolarHBondContact O-CB 3.49Å; S18-T22 PolarHBondContact O-N 3.15Å; S18-T22 PolarHBondContact O-OG1 2.98Å; T22-V24 VanDerWaalsContact C-N 3.28Å; T22-V24 PolarHBondContact O-N 3.21Å; T22-A25 PolarHBondContact O-N 3.05Å; T22-G26 PolarHBondContact O-N 2.61Å; T22-T27 WeakPolarHBondContact CA-O 3.23Å; T22-V29 PolarHBondContact OG1-N 3.14Å
23K96.3Very high97.4Very high190 Ų19044.5 Ų44.583%0.82625%0.248SC*.Hα-helixtrans-62-34.6176.9-174.9178.2178.9-179.10112.9L19 A20 L21L19-K23 WeakPolarHBondContact O-CB 3.45Å; L19-K23 PolarHBondContact O-N 2.81Å; A20-K23 PolarHBondContact O-N 3.14Å; L21-K23 VanDerWaalsContact C-N 3.29Å; L21-K23 PolarHBondContact O-N 3.13Å
24V94.9Very high97.4Very high42 Ų4244.4 Ų44.426%0.25525%0.247SC..Hα-helixtrans-76-45.4177.9178.20000110.8A20 L21 T22 V279A20-V24 WeakPolarHBondContact O-CG2 3.41Å; A20-V24 PolarHBondContact O-N 3.1Å; L21-V24 PolarHBondContact O-N 3.3Å; L21-V24 VanDerWaalsContact O-N 3.14Å; T22-V24 VanDerWaalsContact C-N 3.28Å; T22-V24 PolarHBondContact O-N 3.21Å; V24-V279 HydrophobicContact CB-CG1 3.78Å; V24-V279 HydrophobicContact CG1-CG1 3.72Å; V24-V279 WeakPolarHBondContact CG1-O 3.45Å
25A94.2Very high97.4Very high4 Ų442.1 Ų42.13%0.03323%0.232CC..Hα-helixtrans-74.3-27.3-175.200000113.7L21 T22 T27 V29 V279L21-A25 WeakPolarHBondContact O-CB 3.41Å; L21-A25 PolarHBondContact O-N 3.49Å; T22-A25 PolarHBondContact O-N 3.05Å; A25-T27 HydrophobicContact CB-CG2 4.16Å; A25-T27 PolarHBondContact O-N 2.59Å; A25-V29 HydrophobicContact CB-CG2 3.65Å; A25-V279 HydrophobicContact CB-CG1 4.02Å; A25-V279 HydrophobicContact CB-CG2 4.15Å
26G93.1Very high97.4Very high74 Ų7443.6 Ų43.676%0.76325%0.246SC*.THydrogen-bonded Turntrans73.612.1-172.200000114.1T22T22-G26 PolarHBondContact O-N 2.61Å
27T94.4Very high97.5Very high19 Ų1939.2 Ų39.212%0.11723%0.229CC..SBendtrans-145.1157.8172.3178.90000108.7T22 A25 V29 L297 V300T22-T27 WeakPolarHBondContact CA-O 3.23Å; A25-T27 HydrophobicContact CB-CG2 4.16Å; A25-T27 PolarHBondContact O-N 2.59Å; T27-V29 PolarHBondContact O-N 3.47Å; T27-L297 PolarHBondContact OG1-O 3.16Å; T27-V300 HydrophobicContact CG2-CG2 3.82Å
28S97.2Very high97.5Very high46 Ų4637 Ų3732%0.32222%0.224SC..  trans-58126.8179.7-63.40000111.2P299 V300S28-P299 WeakPolarHBondContact O-CA 3.32Å; S28-V300 PolarHBondContact O-N 2.54Å
29V98.5Very high97.4Very high0 Ų037.2 Ų37.20%023%0.225CC..EExtended strand (participates in β ladder)trans-112.8122177.6178.10000110S18 L21 T22 A25 T27 L31 V279 V300 I302S18-V29 PolarHBondContact N-O 3.02Å; L21-V29 HydrophobicContact CB-CB 3.93Å; L21-V29 HydrophobicContact CB-CG1 3.79Å; L21-V29 HydrophobicContact CB-CG2 4.17Å; L21-V29 HydrophobicContact CD2-CG1 4.04Å; T22-V29 PolarHBondContact OG1-N 3.14Å; A25-V29 HydrophobicContact CB-CG2 3.65Å; T27-V29 PolarHBondContact O-N 3.47Å; V29-L31 HydrophobicContact CG1-CD2 4.28Å; V29-V279 HydrophobicContact CG2-CG2 4.09Å; V29-V300 CarbonylContact C-O 3.48Å; V29-V300 WeakPolarHBondContact CA-O 3.43Å; V29-I302 HydrophobicContact CG1-CD1 3.7Å; V29-I302 HydrophobicContact CG1-CG1 4.04Å
30Y98.8Very high97.4Very high55 Ų5531.5 Ų31.522%0.21620%0.199CC..EExtended strand (participates in β ladder)trans-106.1139.5172-73.6-95.2000110.8L15 R16 E17 L158 P299 V300 V301 I302L15-Y30 HydrophobicContact CD1-CD1 4.4Å; L15-Y30 HydrophobicContact CD2-CD1 4.28Å; L15-Y30 HydrophobicContact CG-CD1 3.95Å; R16-Y30 CarbonylContact O-C 3.54Å; R16-Y30 WeakPolarHBondContact O-CA 3.43Å; E17-Y30 HydrophobicContact CB-CD1 4.04Å; E17-Y30 HydrophobicContact CB-CE1 3.73Å; E17-Y30 HydrophobicContact CG-CE1 4.27Å; E17-Y30 HydrophobicContact CG-CE2 4.46Å; Y30-L158 HydrophobicContact CD1-CD2 4.42Å; Y30-L158 HydrophobicContact CD2-CD2 4.49Å; Y30-L158 HydrophobicContact CG-CD2 4.38Å; Y30-P299 HydrophobicContact CD2-CB 3.54Å; Y30-P299 HydrophobicContact CE2-CB 3.55Å; Y30-P299 HydrophobicContact CE2-CG 4.41Å; Y30-V300 PolarHBondContact N-O 2.75Å; Y30-V301 CarbonylContact O-C 3.5Å; Y30-V301 WeakPolarHBondContact O-CA 3.32Å; Y30-I302 PolarHBondContact O-N 2.75Å
31L98.9Very high97.4Very high0 Ų030 Ų300%019%0.186CC..EExtended strand (participates in β ladder)trans-110.5112-179.1-61.3179000108.9L15 R16 L21 V29 L33 F260 E264 I302 V304L15-L31 WeakPolarHBondContact CA-O 3.23Å; R16-L31 HydrophobicContact CB-CB 4.4Å; R16-L31 PolarHBondContact N-O 3.46Å; R16-L31 PolarHBondContact O-N 2.72Å; L21-L31 HydrophobicContact CD2-CD2 3.97Å; V29-L31 HydrophobicContact CG1-CD2 4.28Å; L31-L33 HydrophobicContact CB-CD2 3.96Å; L31-L33 HydrophobicContact CB-CG 4.42Å; L31-L33 PolarHBondContact O-N 3.31Å; L31-F260 HydrophobicContact CD1-CE2 3.72Å; L31-F260 HydrophobicContact CD1-CZ 4.05Å; L31-F260 HydrophobicContact CD2-CE2 4.23Å; L31-E264 HydrophobicContact CD1-CG 3.7Å; L31-I302 HydrophobicContact CD2-CB 4.07Å; L31-I302 HydrophobicContact CD2-CD1 4.25Å; L31-V304 HydrophobicContact CB-CG2 3.94Å; L31-V304 HydrophobicContact CD2-CG2 3.8Å; L31-V304 HydrophobicContact CG-CG2 4.37Å
32K98.9Very high97.5Very high0 Ų030.9 Ų30.90%019%0.19CC..EExtended strand (participates in β ladder)trans-83.4101.9169-171.456.7169.4-178.70108.5T13 L15 D34 L150 E153 L154 E157 V301 I302 V304T13-K32 PolarHBondContact O-NZ 2.93Å; T13-K32 WeakPolarHBondContact OG1-CE 3.29Å; L15-K32 HydrophobicContact CD1-CB 4.22Å; L15-K32 HydrophobicContact CD1-CD 4.32Å; K32-D34 PolarHBondContact O-N 2.74Å; K32-L150 HydrophobicContact CG-CD1 4.27Å; K32-L150 HydrophobicContact CG-CD2 4.24Å; K32-L150 HydrophobicContact CG-CG 4Å; K32-E153 WeakPolarHBondContact CE-OE2 3.18Å; K32-E153 IonicContact NZ-OE2 2.59Å; K32-E153 PolarHBondContact NZ-OE2 2.8Å; K32-L154 HydrophobicContact CB-CD2 4.4Å; K32-L154 HydrophobicContact CD-CD2 3.97Å; K32-L154 HydrophobicContact CG-CD2 4.29Å; K32-E157 IonicContact NZ-OE1 2.77Å; K32-E157 IonicContact NZ-OE2 3.55Å; K32-E157 PolarHBondContact NZ-OE2 3.46Å; K32-V301 HydrophobicContact CB-CG1 4.24Å; K32-I302 PolarHBondContact N-O 3.48Å; K32-V304 WeakPolarHBondContact O-CB 3.5Å; K32-V304 PolarHBondContact O-N 3.46Å
33L98.8Very high97.5Very high3 Ų330.8 Ų30.82%0.01619%0.187CC..  trans-79.461.2-167.1-65.2-179.8000113.4T13 P14 R16 L31 S35 S36 V304T13-L33 WeakPolarHBondContact CB-O 3.34Å; T13-L33 WeakPolarHBondContact CG2-O 3.43Å; P14-L33 HydrophobicContact CB-CD1 4.28Å; P14-L33 PolarHBondContact O-N 2.84Å; R16-L33 HydrophobicContact CB-CD1 4.23Å; L31-L33 HydrophobicContact CB-CD2 3.96Å; L31-L33 HydrophobicContact CB-CG 4.42Å; L31-L33 PolarHBondContact O-N 3.31Å; L33-S35 PolarHBondContact O-N 2.92Å; L33-S35 VanDerWaalsContact O-N 3.15Å; L33-S36 VanDerWaalsContact O-CB 3.29Å; L33-S36 WeakPolarHBondContact O-CB 3.38Å; L33-S36 PolarHBondContact O-N 3.44Å; L33-S36 PolarHBondContact O-OG 3.37Å; L33-V304 HydrophobicContact CD2-CB 4.17Å; L33-V304 HydrophobicContact CD2-CG1 4.32Å; L33-V304 HydrophobicContact CD2-CG2 4.03Å
34D98.8Very high97.6Very high0 Ų021.7 Ų21.70%015%0.147CC..G310 helixtrans-68.5-6.4174.9-97.210.6000114.4T13 K32 S36 Q37 S41 F42 R45 V304T13-D34 PolarHBondContact OG1-OD1 2.87Å; K32-D34 PolarHBondContact O-N 2.74Å; D34-S36 PolarHBondContact O-N 2.93Å; D34-Q37 HydrophobicContact CB-CG 4.25Å; D34-Q37 WeakPolarHBondContact O-CB 3.46Å; D34-Q37 VanDerWaalsContact O-CG 3.31Å; D34-Q37 WeakPolarHBondContact O-CG 3.48Å; D34-Q37 PolarHBondContact O-N 3.35Å; D34-Q37 PolarHBondContact OD1-NE2 2.86Å; D34-Q37 VanDerWaalsContact OD1-NE2 3.15Å; D34-S41 CarbonylContact O-C 3.58Å; D34-S41 VanDerWaalsContact O-C 3.31Å; D34-S41 VanDerWaalsContact O-CA 3.31Å; D34-S41 WeakPolarHBondContact O-CA 3.41Å; D34-F42 HydrophobicContact CB-CB 3.82Å; D34-F42 WeakPolarHBondContact OD2-CA 3.34Å; D34-F42 WeakPolarHBondContact OD2-CB 3.15Å; D34-R45 VanDerWaalsContact CG-NE 3.35Å; D34-R45 IonicContact OD1-CZ 3.05Å; D34-R45 IonicContact OD1-NE 3.26Å; D34-R45 PolarHBondContact OD1-NE 2.65Å; D34-R45 VanDerWaalsContact OD1-NE 3.13Å; D34-R45 IonicContact OD1-NH2 3.86Å; D34-R45 PolarHBondContact OD1-NH2 2.93Å; D34-R45 WeakPolarHBondContact OD2-CD 3.36Å; D34-R45 IonicContact OD2-CZ 3.8Å; D34-R45 IonicContact OD2-NE 3.86Å; D34-R45 PolarHBondContact OD2-NE 2.8Å; D34-R45 IonicContact OD2-NH2 3.88Å; D34-V304 CarbonylContact C-O 3.41Å; D34-V304 WeakPolarHBondContact CA-O 3.27Å; D34-V304 PolarHBondContact N-O 2.93Å
35S98.5Very high97.8Very high23 Ų2319.8 Ų19.816%0.16114%0.136CC..G310 helixtrans-58.7-23.9159.557.20000113.4L33 Q37 V304L33-S35 PolarHBondContact O-N 2.92Å; L33-S35 VanDerWaalsContact O-N 3.15Å; S35-Q37 VanDerWaalsContact C-N 3.33Å; S35-V304 PolarHBondContact N-O 3.42Å
36S98.4Very high98Very high64 Ų6419.6 Ų19.645%0.44813%0.134SC..G310 helixtrans-89.33.9178.7-54.80000113.6L33 D34L33-S36 VanDerWaalsContact O-CB 3.29Å; L33-S36 WeakPolarHBondContact O-CB 3.38Å; L33-S36 PolarHBondContact O-N 3.44Å; L33-S36 PolarHBondContact O-OG 3.37Å; D34-S36 PolarHBondContact O-N 2.93Å
37Q98.8Very high98.3Very high7 Ų716 Ų163%0.03310%0.098CC..SBendtrans-62.1152.9173.6-75.9-63.4-10.100111.2V11 T13 D34 S35 T39 G40 S41 I44 R45V11-Q37 PolarHBondContact O-NE2 3.35Å; V11-Q37 PolarHBondContact O-OE1 2.9Å; T13-Q37 HydrophobicContact CG2-CG 3.92Å; D34-Q37 HydrophobicContact CB-CG 4.25Å; D34-Q37 WeakPolarHBondContact O-CB 3.46Å; D34-Q37 VanDerWaalsContact O-CG 3.31Å; D34-Q37 WeakPolarHBondContact O-CG 3.48Å; D34-Q37 PolarHBondContact O-N 3.35Å; D34-Q37 PolarHBondContact OD1-NE2 2.86Å; D34-Q37 VanDerWaalsContact OD1-NE2 3.15Å; S35-Q37 VanDerWaalsContact C-N 3.33Å; Q37-T39 PolarHBondContact O-N 3.14Å; Q37-G40 PolarHBondContact O-N 3.08Å; Q37-S41 WeakPolarHBondContact CB-O 3.37Å; Q37-S41 WeakPolarHBondContact CG-O 3.45Å; Q37-I44 HydrophobicContact CB-CG2 3.66Å; Q37-I44 HydrophobicContact CG-CG2 3.81Å; Q37-R45 VanDerWaalsContact NE2-NH2 3.14Å
38P98.1Very high98.5Very high50 Ų5015.2 Ų15.233%0.3259%0.093SC..THydrogen-bonded Turntrans-54.8-24.3-177.8-29.135.1000115.2V11 Y76V11-P38 HydrophobicContact CG1-CG 3.98Å; P38-Y76 HydrophobicContact CB-CD2 4.37Å; P38-Y76 HydrophobicContact CB-CE1 3.97Å; P38-Y76 HydrophobicContact CB-CE2 3.6Å; P38-Y76 VanDerWaalsContact CB-OH 3.31Å; P38-Y76 WeakPolarHBondContact CB-OH 3.39Å
39T97.8Very high98.5Very high5 Ų515.5 Ų15.53%0.0319%0.089CC..THydrogen-bonded Turntrans-107.517.9-178.774.60000111.9Q37 S41 I44 Y76 N308Q37-T39 PolarHBondContact O-N 3.14Å; T39-S41 PolarHBondContact O-N 3.17Å; T39-I44 HydrophobicContact CG2-CB 3.85Å; T39-I44 HydrophobicContact CG2-CD1 3.92Å; T39-I44 HydrophobicContact CG2-CG1 3.89Å; T39-I44 WeakPolarHBondContact OG1-CB 3.39Å; T39-Y76 HydrophobicContact CG2-CD1 3.55Å; T39-Y76 HydrophobicContact CG2-CD2 3.89Å; T39-Y76 HydrophobicContact CG2-CE1 4.26Å; T39-Y76 HydrophobicContact CG2-CG 3.34Å; T39-N308 PolarHBondContact O-ND2 3.39Å
40G97.4Very high98.5Very high16 Ų1615.5 Ų15.517%0.1659%0.089CC..SBendtrans71.54.8178.600000115.9Q37 G307Q37-G40 PolarHBondContact O-N 3.08Å; G40-G307 PolarHBondContact O-N 3.5Å
41S98.6Very high98.5Very high2 Ų212.9 Ų12.91%0.0148%0.079CC..BIsolated β-bridgetrans-158.4166.4177.267.20000113.1D34 Q37 T39 K43 C305D34-S41 CarbonylContact O-C 3.58Å; D34-S41 VanDerWaalsContact O-C 3.31Å; D34-S41 VanDerWaalsContact O-CA 3.31Å; D34-S41 WeakPolarHBondContact O-CA 3.41Å; Q37-S41 WeakPolarHBondContact CB-O 3.37Å; Q37-S41 WeakPolarHBondContact CG-O 3.45Å; T39-S41 PolarHBondContact O-N 3.17Å; S41-K43 PolarHBondContact O-N 3.32Å; S41-C305 WeakPolarHBondContact CA-O 3.31Å; S41-C305 WeakPolarHBondContact CB-O 3.41Å
42F98.7Very high98.5Very high20 Ų2014.2 Ų14.29%0.0889%0.085CC..THydrogen-bonded Turntrans-54.7-19.4175.281.4-81.2000114.7D34 I44 R45 H147 L174 C305D34-F42 HydrophobicContact CB-CB 3.82Å; D34-F42 WeakPolarHBondContact OD2-CA 3.34Å; D34-F42 WeakPolarHBondContact OD2-CB 3.15Å; F42-I44 PolarHBondContact O-N 3.26Å; F42-I44 VanDerWaalsContact O-N 3.1Å; F42-R45 WeakPolarHBondContact O-CB 3.49Å; F42-R45 WeakPolarHBondContact O-CG 3.44Å; F42-R45 PolarHBondContact O-N 3.4Å; F42-H147 AromaticContact CD2-CE1 3.31Å; F42-H147 WeakPolarHBondContact CD2-CE1 3.41Å; F42-H147 AromaticContact CD2-ND1 3.62Å; F42-H147 AromaticContact CD2-NE2 3.88Å; F42-H147 AromaticContact CE2-CE1 3.43Å; F42-H147 VanDerWaalsContact CE2-CE1 3.43Å; F42-H147 WeakPolarHBondContact CE2-CE1 3.38Å; F42-H147 AromaticContact CE2-NE2 3.5Å; F42-H147 PolarHBondContact O-CE1 3.04Å; F42-L174 HydrophobicContact CD1-CD2 4.42Å; F42-L174 HydrophobicContact CD2-CB 4.2Å; F42-L174 HydrophobicContact CD2-CD1 3.65Å; F42-L174 HydrophobicContact CD2-CD2 4.32Å; F42-L174 HydrophobicContact CD2-CG 4.25Å; F42-L174 HydrophobicContact CE1-CD2 4.24Å; F42-L174 HydrophobicContact CE2-CB 3.5Å; F42-L174 VanDerWaalsContact CE2-CB 3.5Å; F42-L174 HydrophobicContact CE2-CD1 3.88Å; F42-L174 HydrophobicContact CE2-CD2 4.18Å; F42-L174 HydrophobicContact CE2-CG 4.03Å; F42-L174 HydrophobicContact CG-CD1 4.25Å; F42-L174 HydrophobicContact CG-CD2 4.43Å; F42-L174 HydrophobicContact CZ-CB 3.74Å; F42-L174 HydrophobicContact CZ-CD2 4.1Å; F42-L174 HydrophobicContact CZ-CG 4.36Å; F42-C305 HydrophobicContact CD1-CB 3.65Å; F42-C305 HydrophobicContact CE1-CB 4.07Å; F42-C305 PolarHBondContact N-O 3.08Å
43K98.6Very high98.4Very high26 Ų2615.4 Ų15.411%0.1139%0.092CC..Hα-helixtrans-56.1-31.8-172.7-73.5-59.9-174.5940113.1S41 R45 G46 I47 N69 A73 P137S41-K43 PolarHBondContact O-N 3.32Å; K43-R45 PolarHBondContact O-N 3.13Å; K43-G46 PolarHBondContact O-N 3.4Å; K43-I47 HydrophobicContact CB-CD1 4.28Å; K43-I47 WeakPolarHBondContact O-CB 3.43Å; K43-I47 PolarHBondContact O-N 3.33Å; K43-N69 HydrophobicContact CG-CB 3.97Å; K43-A73 HydrophobicContact CB-CB 3.84Å; K43-P137 PolarHBondContact NZ-O 3.27Å
44I98.8Very high98.4Very high0 Ų018.9 Ų18.90%011%0.105CC..Hα-helixtrans-63.1-22.4177.9-170.754.6000113.9L9 H10 Q37 T39 F42 G48 Y76 S77L9-I44 HydrophobicContact CB-CD1 4.03Å; L9-I44 HydrophobicContact CB-CG1 4.28Å; H10-I44 HydrophobicContact CB-CG2 3.88Å; Q37-I44 HydrophobicContact CB-CG2 3.66Å; Q37-I44 HydrophobicContact CG-CG2 3.81Å; T39-I44 HydrophobicContact CG2-CB 3.85Å; T39-I44 HydrophobicContact CG2-CD1 3.92Å; T39-I44 HydrophobicContact CG2-CG1 3.89Å; T39-I44 WeakPolarHBondContact OG1-CB 3.39Å; F42-I44 PolarHBondContact O-N 3.26Å; F42-I44 VanDerWaalsContact O-N 3.1Å; I44-G48 WeakPolarHBondContact O-CA 3.49Å; I44-G48 PolarHBondContact O-N 2.99Å; I44-Y76 HydrophobicContact CD1-CD1 3.53Å; I44-Y76 HydrophobicContact CD1-CE1 3.96Å; I44-Y76 HydrophobicContact CG1-CD1 4.16Å; I44-Y76 HydrophobicContact CG1-CE1 4.2Å; I44-S77 WeakPolarHBondContact CD1-OG 3.34Å
45R98.8Very high98.3Very high1 Ų120.1 Ų20.10%0.00412%0.115CC..Hα-helixtrans-61.6-59.3176-65.9179176-76.60.3110.9H10 T13 D34 Q37 F42 K43 H49 S149 E153H10-R45 HydrophobicContact CB-CB 4.44Å; H10-R45 HydrophobicContact CB-CG 3.81Å; H10-R45 PolarHBondContact CD2-NH1 3.48Å; T13-R45 PolarHBondContact OG1-NH2 3.31Å; T13-R45 VanDerWaalsContact OG1-NH2 3.12Å; D34-R45 VanDerWaalsContact CG-NE 3.35Å; D34-R45 IonicContact OD1-CZ 3.05Å; D34-R45 IonicContact OD1-NE 3.26Å; D34-R45 PolarHBondContact OD1-NE 2.65Å; D34-R45 VanDerWaalsContact OD1-NE 3.13Å; D34-R45 IonicContact OD1-NH2 3.86Å; D34-R45 PolarHBondContact OD1-NH2 2.93Å; D34-R45 WeakPolarHBondContact OD2-CD 3.36Å; D34-R45 IonicContact OD2-CZ 3.8Å; D34-R45 IonicContact OD2-NE 3.86Å; D34-R45 PolarHBondContact OD2-NE 2.8Å; D34-R45 IonicContact OD2-NH2 3.88Å; Q37-R45 VanDerWaalsContact NE2-NH2 3.14Å; F42-R45 WeakPolarHBondContact O-CB 3.49Å; F42-R45 WeakPolarHBondContact O-CG 3.44Å; F42-R45 PolarHBondContact O-N 3.4Å; K43-R45 PolarHBondContact O-N 3.13Å; R45-H49 WeakPolarHBondContact O-CB 3.41Å; R45-H49 PolarHBondContact O-N 2.96Å; R45-S149 PolarHBondContact NH1-OG 3.43Å; R45-E153 IonicContact CZ-OE1 2.75Å; R45-E153 IonicContact CZ-OE2 3.92Å; R45-E153 VanDerWaalsContact NH1-CD 3.34Å; R45-E153 IonicContact NH1-OE1 2.84Å; R45-E153 PolarHBondContact NH1-OE1 2.81Å; R45-E153 IonicContact NH1-OE2 3.13Å; R45-E153 IonicContact NH2-OE1 3.39Å; R45-E153 PolarHBondContact NH2-OE1 2.67Å; R45-E153 IonicContact NH2-OE2 3.44Å; R45-E153 PolarHBondContact NH2-OE2 2.84Å
46G98.6Very high98.2Very high0 Ų025.8 Ų25.80%014%0.137CC..Hα-helixtrans-74.2-52.6-179.100000113.1K43 G48 H49 L50 I143 H147K43-G46 PolarHBondContact O-N 3.4Å; G46-G48 VanDerWaalsContact C-N 3.32Å; G46-G48 PolarHBondContact O-N 3.28Å; G46-H49 PolarHBondContact O-N 2.79Å; G46-L50 PolarHBondContact O-N 3.35Å; G46-I143 WeakPolarHBondContact CA-O 3.45Å; G46-H147 PolarHBondContact N-CE1 3.37Å; G46-H147 VanDerWaalsContact N-CE1 3.3Å; G46-H147 PolarHBondContact N-ND1 3.25Å
47I98.8Very high98.1Very high0 Ų030.1 Ų30.10%014%0.144CC..Hα-helixtrans-65.5-38.7-178.9-69.1175.3000110.8K43 H49 L50 C51 A70 A73 A74 I135 I143K43-I47 HydrophobicContact CB-CD1 4.28Å; K43-I47 WeakPolarHBondContact O-CB 3.43Å; K43-I47 PolarHBondContact O-N 3.33Å; I47-H49 VanDerWaalsContact C-N 3.34Å; I47-H49 PolarHBondContact O-N 3.46Å; I47-L50 PolarHBondContact O-N 3.04Å; I47-C51 WeakPolarHBondContact O-CB 3.47Å; I47-C51 PolarHBondContact O-N 3.43Å; I47-C51 PolarHBondContact O-SG 3.35Å; I47-C51 VanDerWaalsContact O-SG 3.35Å; I47-A70 HydrophobicContact CD1-CB 3.65Å; I47-A73 HydrophobicContact CB-CB 3.95Å; I47-A73 HydrophobicContact CD1-CB 3.97Å; I47-A73 HydrophobicContact CG2-CB 3.93Å; I47-A74 HydrophobicContact CG2-CB 4.24Å; I47-I135 HydrophobicContact CG1-CG2 4.4Å; I47-I135 HydrophobicContact CG2-CG2 3.84Å; I47-I143 HydrophobicContact CG1-CD1 4.29Å; I47-I143 HydrophobicContact CG1-CG1 4.45Å
48G98.6Very high98.1Very high2 Ų232.4 Ų32.42%0.02117%0.169CC..Hα-helixtrans-64.2-37.8175.500000112.7I44 G46 K52 S77I44-G48 WeakPolarHBondContact O-CA 3.49Å; I44-G48 PolarHBondContact O-N 2.99Å; G46-G48 VanDerWaalsContact C-N 3.32Å; G46-G48 PolarHBondContact O-N 3.28Å; G48-K52 WeakPolarHBondContact O-CB 3.49Å; G48-K52 PolarHBondContact O-N 3.09Å; G48-S77 WeakPolarHBondContact CA-OG 3.48Å
49H98.6Very high98Very high52 Ų5230.6 Ų30.624%0.24116%0.157CC..Hα-helixtrans-64.7-45.9173.2-177.175.5000112.1R45 G46 I47 K52 T53 L142 E145R45-H49 WeakPolarHBondContact O-CB 3.41Å; R45-H49 PolarHBondContact O-N 2.96Å; G46-H49 PolarHBondContact O-N 2.79Å; I47-H49 VanDerWaalsContact C-N 3.34Å; I47-H49 PolarHBondContact O-N 3.46Å; H49-K52 PolarHBondContact O-N 3.03Å; H49-T53 WeakPolarHBondContact O-CB 3.26Å; H49-T53 PolarHBondContact O-N 3.04Å; H49-T53 PolarHBondContact O-OG1 2.93Å; H49-L142 PolarHBondContact CD2-O 2.78Å; H49-E145 IonicContact CD2-OE2 3.86Å; H49-E145 IonicContact CE1-OE1 3.73Å; H49-E145 IonicContact CE1-OE2 3.65Å; H49-E145 IonicContact NE2-OE1 3.77Å; H49-E145 IonicContact NE2-OE2 3.74Å; H49-E145 PolarHBondContact NE2-OE2 2.99Å
50L98.6Very high98Very high0 Ų036.3 Ų36.30%018%0.183CC..Hα-helixtrans-59.3-52.9175.9-178151000111.4G46 I47 K52 T53 W54 I135 D140 L142 I143G46-L50 PolarHBondContact O-N 3.35Å; I47-L50 PolarHBondContact O-N 3.04Å; L50-K52 VanDerWaalsContact C-N 3.34Å; L50-K52 PolarHBondContact O-N 2.86Å; L50-T53 WeakPolarHBondContact O-CB 3.49Å; L50-T53 PolarHBondContact O-N 2.78Å; L50-W54 VanDerWaalsContact O-CD1 3.29Å; L50-W54 PolarHBondContact O-N 3.35Å; L50-I135 HydrophobicContact CD2-CD1 3.25Å; L50-I135 HydrophobicContact CD2-CG1 4.5Å; L50-I135 HydrophobicContact CD2-CG2 4.31Å; L50-D140 HydrophobicContact CD1-CB 3.74Å; L50-D140 WeakPolarHBondContact CD1-OD2 3.37Å; L50-L142 HydrophobicContact CB-CB 4.03Å; L50-L142 HydrophobicContact CD1-CB 4.34Å; L50-L142 HydrophobicContact CG-CB 4.29Å; L50-L142 HydrophobicContact CG-CD1 4.34Å; L50-I143 HydrophobicContact CB-CG1 4.16Å; L50-I143 HydrophobicContact CD1-CD1 3.96Å; L50-I143 HydrophobicContact CD1-CG1 3.69Å
51C98.5Very high98.1Very high0 Ų038.4 Ų38.40%019%0.186CC..Hα-helixtrans-58.9-45.7179.3-74.10000111.2I47 T53 W54 A55 F62 L81I47-C51 WeakPolarHBondContact O-CB 3.47Å; I47-C51 PolarHBondContact O-N 3.43Å; I47-C51 PolarHBondContact O-SG 3.35Å; I47-C51 VanDerWaalsContact O-SG 3.35Å; C51-T53 VanDerWaalsContact C-N 3.31Å; C51-T53 PolarHBondContact O-N 3.13Å; C51-W54 PolarHBondContact O-N 3.13Å; C51-A55 WeakPolarHBondContact O-CB 3.25Å; C51-A55 PolarHBondContact O-N 3.24Å; C51-F62 HydrophobicContact CB-CE1 4.18Å; C51-F62 HydrophobicContact CB-CE2 3.9Å; C51-F62 HydrophobicContact CB-CZ 3.71Å; C51-F62 VanDerWaalsContact O-CZ 3.22Å; C51-F62 WeakPolarHBondContact O-CZ 3.33Å; C51-L81 HydrophobicContact CB-CD1 3.85Å
52K98Very high98.1Very high28 Ų2838.3 Ų38.312%0.12219%0.186CC..Hα-helixtrans-61.8-40.5178-178.5178.4176.5178.20112.3Q5 E6 R7 G48 H49 L50 K56 L81Q5-K52 WeakPolarHBondContact O-CE 3.28Å; Q5-K52 PolarHBondContact O-NZ 2.91Å; E6-K52 PolarHBondContact O-NZ 3.03Å; R7-K52 VanDerWaalsContact C-NZ 3.31Å; R7-K52 PolarHBondContact O-NZ 3.3Å; G48-K52 WeakPolarHBondContact O-CB 3.49Å; G48-K52 PolarHBondContact O-N 3.09Å; H49-K52 PolarHBondContact O-N 3.03Å; L50-K52 VanDerWaalsContact C-N 3.34Å; L50-K52 PolarHBondContact O-N 2.86Å; K52-K56 WeakPolarHBondContact O-CG 3.23Å; K52-K56 PolarHBondContact O-N 3.32Å; K52-K56 VanDerWaalsContact O-N 3.12Å; K52-L81 HydrophobicContact CB-CD1 4.39Å; K52-L81 HydrophobicContact CB-CD2 4.43Å; K52-L81 HydrophobicContact CG-CD2 4.42Å
53T97.8Very high98.1Very high25 Ų2537.4 Ų37.415%0.15318%0.182CC..Hα-helixtrans-63.5-45.6177.6-61.40000111H49 L50 C51 K56 R57 L142H49-T53 WeakPolarHBondContact O-CB 3.26Å; H49-T53 PolarHBondContact O-N 3.04Å; H49-T53 PolarHBondContact O-OG1 2.93Å; L50-T53 WeakPolarHBondContact O-CB 3.49Å; L50-T53 PolarHBondContact O-N 2.78Å; C51-T53 VanDerWaalsContact C-N 3.31Å; C51-T53 PolarHBondContact O-N 3.13Å; T53-K56 PolarHBondContact O-N 3.05Å; T53-R57 WeakPolarHBondContact O-CG 3.46Å; T53-R57 PolarHBondContact O-N 2.8Å; T53-L142 HydrophobicContact CG2-CD1 3.82Å; T53-L142 HydrophobicContact CG2-CD2 4.17Å
54W98Very high98.1Very high75 Ų7536.2 Ų36.228%0.28418%0.177SC..Hα-helixtrans-70.8-36.3178.2-79.7112.9000113.6L50 C51 K56 R57 G58 C59 F62 I133L50-W54 VanDerWaalsContact O-CD1 3.29Å; L50-W54 PolarHBondContact O-N 3.35Å; C51-W54 PolarHBondContact O-N 3.13Å; W54-K56 VanDerWaalsContact C-N 3.32Å; W54-K56 PolarHBondContact O-N 3.25Å; W54-R57 HydrophobicContact CE3-CB 4.25Å; W54-R57 CarbonylContact O-C 3.54Å; W54-R57 WeakPolarHBondContact O-CA 3.37Å; W54-R57 WeakPolarHBondContact O-CB 3.41Å; W54-R57 PolarHBondContact O-N 3.03Å; W54-G58 PolarHBondContact O-N 2.74Å; W54-C59 VanDerWaalsContact C-CB 3.5Å; W54-C59 HydrophobicContact CB-CB 4.05Å; W54-C59 WeakPolarHBondContact O-CB 3.46Å; W54-C59 PolarHBondContact O-N 2.61Å; W54-F62 HydrophobicContact CB-CE1 3.93Å; W54-I133 HydrophobicContact CB-CG1 4.23Å; W54-I133 HydrophobicContact CB-CG2 4.33Å; W54-I133 HydrophobicContact CD2-CD1 3.77Å; W54-I133 HydrophobicContact CD2-CG1 3.94Å; W54-I133 HydrophobicContact CD2-CG2 3.9Å; W54-I133 HydrophobicContact CE3-CD1 3.4Å; W54-I133 VanDerWaalsContact CE3-CD1 3.4Å; W54-I133 HydrophobicContact CE3-CG1 3.88Å; W54-I133 HydrophobicContact CG-CB 4.47Å; W54-I133 HydrophobicContact CG-CD1 4.47Å; W54-I133 HydrophobicContact CG-CG1 4.13Å; W54-I133 HydrophobicContact CG-CG2 3.74Å; W54-I133 HydrophobicContact CH2-CD1 4.07Å; W54-I133 HydrophobicContact CZ2-CD1 4.39Å; W54-I133 HydrophobicContact CZ3-CD1 3.57Å
55A97.2Very high97.9Very high27 Ų2736.7 Ų36.722%0.22318%0.18CC..Hα-helixtrans-59.8-42.3172.900000111.6C51 R57 G58 F62 L81 V83C51-A55 WeakPolarHBondContact O-CB 3.25Å; C51-A55 PolarHBondContact O-N 3.24Å; A55-R57 PolarHBondContact O-N 3.31Å; A55-G58 PolarHBondContact O-N 3.49Å; A55-F62 HydrophobicContact CB-CZ 4.33Å; A55-L81 HydrophobicContact CB-CB 4.35Å; A55-L81 HydrophobicContact CB-CD1 3.97Å; A55-L81 HydrophobicContact CB-CD2 4.42Å; A55-L81 HydrophobicContact CB-CG 4.48Å; A55-V83 HydrophobicContact CB-CG2 4.09Å
56K96.2Very high97.5Very high141 Ų14137.8 Ų37.861%0.61319%0.188SC*.Hα-helixtrans-62.9-22.5173.2-73.5-178.4175.3-1680113.7K52 T53 W54 G58K52-K56 WeakPolarHBondContact O-CG 3.23Å; K52-K56 PolarHBondContact O-N 3.32Å; K52-K56 VanDerWaalsContact O-N 3.12Å; T53-K56 PolarHBondContact O-N 3.05Å; W54-K56 VanDerWaalsContact C-N 3.32Å; W54-K56 PolarHBondContact O-N 3.25Å; K56-G58 VanDerWaalsContact C-N 3.33Å
57R96.9Very high96.9Very high156 Ų15638.6 Ų38.659%0.58920%0.196SC*.THydrogen-bonded Turntrans-91.39.2176.5-65.9173.3-177179.51.1113T53 W54 A55T53-R57 WeakPolarHBondContact O-CG 3.46Å; T53-R57 PolarHBondContact O-N 2.8Å; W54-R57 HydrophobicContact CE3-CB 4.25Å; W54-R57 CarbonylContact O-C 3.54Å; W54-R57 WeakPolarHBondContact O-CA 3.37Å; W54-R57 WeakPolarHBondContact O-CB 3.41Å; W54-R57 PolarHBondContact O-N 3.03Å; A55-R57 PolarHBondContact O-N 3.31Å
58G96.8Very high96.6Very high54 Ų5439.6 Ų39.656%0.55721%0.207SC*.THydrogen-bonded Turntrans82.927.2178.900000114.4W54 A55 K56 E60W54-G58 PolarHBondContact O-N 2.74Å; A55-G58 PolarHBondContact O-N 3.49Å; K56-G58 VanDerWaalsContact C-N 3.33Å; G58-E60 PolarHBondContact O-N 2.73Å
59C97.4Very high96.6Very high12 Ų1239.9 Ų39.98%0.08121%0.208CC..  trans-55.9127.7171.4177.80000111.2W54 R61 F62 I133W54-C59 VanDerWaalsContact C-CB 3.5Å; W54-C59 HydrophobicContact CB-CB 4.05Å; W54-C59 WeakPolarHBondContact O-CB 3.46Å; W54-C59 PolarHBondContact O-N 2.61Å; C59-R61 VanDerWaalsContact SG-C 3.58Å; C59-R61 PolarHBondContact SG-O 3.41Å; C59-R61 VanDerWaalsContact SG-O 3.38Å; C59-F62 HydrophobicContact CB-CE1 4.02Å; C59-F62 HydrophobicContact CB-CZ 4.33Å; C59-F62 WeakPolarHBondContact SG-CD1 3.35Å; C59-F62 WeakPolarHBondContact SG-CE1 3.36Å; C59-I133 HydrophobicContact CB-CG1 3.97Å; C59-I133 WeakPolarHBondContact SG-CG1 3.41Å
60E98.1Very high96.5Very high125 Ų12537.5 Ų37.558%0.58420%0.197SC*.  trans-93.5-25.2179.6-62.3-173.3-17400112.5G58 P84 G131G58-E60 PolarHBondContact O-N 2.73Å; E60-P84 WeakPolarHBondContact O-CD 3.37Å; E60-G131 PolarHBondContact N-O 3.48Å
61R98.6Very high96.4Very high60 Ų6037.5 Ų37.523%0.22620%0.197CC..EExtended strand (participates in β ladder)trans-160.5139.6177.4-176.3172-66.9-101-3.2112.7C59 P84 T86 W132 I133C59-R61 VanDerWaalsContact SG-C 3.58Å; C59-R61 PolarHBondContact SG-O 3.41Å; C59-R61 VanDerWaalsContact SG-O 3.38Å; R61-P84 WeakPolarHBondContact CA-O 3.45Å; R61-P84 HydrophobicContact CG-CB 4.27Å; R61-P84 WeakPolarHBondContact CG-O 3.37Å; R61-T86 PolarHBondContact NH1-OG1 3.36Å; R61-W132 HydrophobicContact CB-CD2 3.88Å; R61-W132 HydrophobicContact CB-CG 3.83Å; R61-W132 VanDerWaalsContact CD-CZ2 3.45Å; R61-W132 HydrophobicContact CG-CD2 4.15Å; R61-W132 HydrophobicContact CG-CE3 4.39Å; R61-W132 CarbonylContact O-C 3.53Å; R61-W132 WeakPolarHBondContact O-CA 3.33Å; R61-I133 PolarHBondContact O-N 2.77Å
62F98.8Very high96.4Very high1 Ų138.2 Ų38.20%0.00420%0.2CC..EExtended strand (participates in β ladder)trans-91.8136.4168-61-52.1000111.8C51 W54 A55 C59 A78 L81 V83 P84 A85 T86 I133 I135C51-F62 HydrophobicContact CB-CE1 4.18Å; C51-F62 HydrophobicContact CB-CE2 3.9Å; C51-F62 HydrophobicContact CB-CZ 3.71Å; C51-F62 VanDerWaalsContact O-CZ 3.22Å; C51-F62 WeakPolarHBondContact O-CZ 3.33Å; W54-F62 HydrophobicContact CB-CE1 3.93Å; A55-F62 HydrophobicContact CB-CZ 4.33Å; C59-F62 HydrophobicContact CB-CE1 4.02Å; C59-F62 HydrophobicContact CB-CZ 4.33Å; C59-F62 WeakPolarHBondContact SG-CD1 3.35Å; C59-F62 WeakPolarHBondContact SG-CE1 3.36Å; F62-A78 HydrophobicContact CD2-CB 3.8Å; F62-A78 HydrophobicContact CE2-CB 4.49Å; F62-L81 HydrophobicContact CE2-CD1 4.19Å; F62-L81 HydrophobicContact CZ-CD1 4.39Å; F62-V83 HydrophobicContact CD2-CB 4.13Å; F62-V83 HydrophobicContact CD2-CG1 3.89Å; F62-V83 HydrophobicContact CE2-CB 3.73Å; F62-V83 HydrophobicContact CE2-CG1 3.77Å; F62-V83 HydrophobicContact CE2-CG2 4.22Å; F62-V83 HydrophobicContact CG-CG1 4.48Å; F62-V83 HydrophobicContact CZ-CB 4.45Å; F62-V83 HydrophobicContact CZ-CG1 4.26Å; F62-P84 PolarHBondContact N-O 3.28Å; F62-A85 HydrophobicContact CB-CB 4.48Å; F62-A85 CarbonylContact O-C 3.52Å; F62-A85 WeakPolarHBondContact O-CA 3.37Å; F62-T86 PolarHBondContact O-N 3.34Å; F62-I133 HydrophobicContact CD1-CB 4.21Å; F62-I135 HydrophobicContact CB-CD1 4.26Å; F62-I135 HydrophobicContact CB-CG1 3.92Å; F62-I135 HydrophobicContact CD1-CD1 3.51Å; F62-I135 HydrophobicContact CD1-CG1 4.15Å; F62-I135 HydrophobicContact CE1-CD1 4.16Å; F62-I135 HydrophobicContact CG-CD1 4.13Å; F62-I135 HydrophobicContact CG-CG1 4.3Å
63V98.6Very high96.4Very high0 Ų036.9 Ų36.90%020%0.195CC..EExtended strand (participates in β ladder)trans-120.4124.1173.1-178.60000109.2T86 I88 V126 W132 I133 F134 I135V63-T86 WeakPolarHBondContact CA-O 3.28Å; V63-I88 HydrophobicContact CG1-CD1 3.63Å; V63-I88 HydrophobicContact CG1-CG1 4.45Å; V63-V126 HydrophobicContact CB-CG2 3.72Å; V63-V126 HydrophobicContact CG1-CG2 4.3Å; V63-V126 HydrophobicContact CG2-CG2 3.73Å; V63-W132 HydrophobicContact CG2-CD2 4.45Å; V63-W132 HydrophobicContact CG2-CE3 3.55Å; V63-W132 HydrophobicContact CG2-CZ3 4.1Å; V63-I133 PolarHBondContact N-O 2.69Å; V63-F134 HydrophobicContact CG1-CD2 4.49Å; V63-F134 CarbonylContact O-C 3.49Å; V63-F134 WeakPolarHBondContact O-CA 3.49Å; V63-I135 PolarHBondContact O-N 3.18Å
64C97.9Very high96.5Very high1 Ų135.7 Ų35.71%0.00719%0.187CC..EExtended strand (participates in β ladder)trans-132.5130.3177.2-170.70000110.9S66 A74 T86 I87 I88 I135C64-S66 PolarHBondContact O-N 2.7Å; C64-A74 HydrophobicContact CB-CB 3.87Å; C64-T86 PolarHBondContact N-O 3.12Å; C64-I87 HydrophobicContact CB-CD1 3.77Å; C64-I87 CarbonylContact O-C 3.55Å; C64-I87 WeakPolarHBondContact O-CA 3.49Å; C64-I88 PolarHBondContact O-N 2.83Å; C64-I135 HydrophobicContact CB-CB 4.08Å
65C95.1Very high96.5Very high11 Ų1132.2 Ų32.27%0.07417%0.174CC..  trans-99.663.8178.1-55.80000110.4I88 L115 S118 I119 F134C65-I88 CarbonylContact C-O 3.38Å; C65-I88 WeakPolarHBondContact CA-O 3.35Å; C65-L115 WeakPolarHBondContact O-CD1 3.16Å; C65-S118 PolarHBondContact SG-O 2.81Å; C65-I119 HydrophobicContact CB-CB 4.44Å; C65-I119 HydrophobicContact CB-CG1 3.74Å; C65-F134 HydrophobicContact CB-CZ 4.37Å
66S91.8Very high96.6Very high24 Ų2432.2 Ų32.217%0.16817%0.169CC..  trans-148.8123.7178.3-174.20000110.4C64 G68 G71 I87 I88C64-S66 PolarHBondContact O-N 2.7Å; S66-G68 VanDerWaalsContact C-N 3.25Å; S66-G68 PolarHBondContact OG-N 3.49Å; S66-G71 VanDerWaalsContact O-CA 3.25Å; S66-G71 WeakPolarHBondContact O-CA 3.43Å; S66-I87 WeakPolarHBondContact O-CG2 3.23Å; S66-I88 PolarHBondContact N-O 3.25Å
67G86Confident96.7Very high16 Ų1625.5 Ų25.517%0.16514%0.139CC..SBendtrans-77.8-10.1168.400000113.5T97G67-T97 WeakPolarHBondContact O-CG2 3.48Å
68G92.4Very high96.8Very high22 Ų2218.2 Ų18.223%0.22711%0.112CC..SBendtrans-95.8-150.1-171.100000114S66 A70 G71 M72S66-G68 VanDerWaalsContact C-N 3.25Å; S66-G68 PolarHBondContact OG-N 3.49Å; G68-A70 PolarHBondContact O-N 3.32Å; G68-G71 PolarHBondContact O-N 2.88Å; G68-G71 VanDerWaalsContact O-N 3.07Å; G68-M72 PolarHBondContact O-N 2.9Å
69N96.8Very high96.8Very high8 Ų820.9 Ų20.94%0.04311%0.106CC..Hα-helixtrans-59.2-29.9-177.1-65.9-47.8000114.1K43 A73 E269 G307 N308K43-N69 HydrophobicContact CG-CB 3.97Å; N69-A73 WeakPolarHBondContact O-CB 3.43Å; N69-A73 PolarHBondContact O-N 3.42Å; N69-A73 VanDerWaalsContact O-N 3.07Å; N69-E269 PolarHBondContact ND2-OE1 3.28Å; N69-E269 PolarHBondContact ND2-OE2 2.93Å; N69-E269 PolarHBondContact OD1-OE1 2.99Å; N69-G307 WeakPolarHBondContact OD1-CA 3.4Å; N69-N308 PolarHBondContact OD1-N 3.31Å; N69-N308 PolarHBondContact OD1-ND2 3.5Å
70A97Very high96.9Very high1 Ų126 Ų261%0.00813%0.126CC..Hα-helixtrans-70.8-42.4174.900000112.2I47 G68 A73 A74 P137I47-A70 HydrophobicContact CD1-CB 3.65Å; G68-A70 PolarHBondContact O-N 3.32Å; A70-A73 PolarHBondContact O-N 2.65Å; A70-A74 WeakPolarHBondContact O-CB 3.48Å; A70-A74 PolarHBondContact O-N 3.05Å; A70-P137 HydrophobicContact CB-CB 3.7Å
71G97.3Very high96.8Very high0 Ų022.1 Ų22.10%011%0.11CC..Hα-helixtrans-61.9-43.8174.800000112.2S66 G68 A73 A74 A75 L101S66-G71 VanDerWaalsContact O-CA 3.25Å; S66-G71 WeakPolarHBondContact O-CA 3.43Å; G68-G71 PolarHBondContact O-N 2.88Å; G68-G71 VanDerWaalsContact O-N 3.07Å; G71-A73 PolarHBondContact O-N 3.03Å; G71-A74 PolarHBondContact O-N 2.96Å; G71-A75 VanDerWaalsContact O-CB 3.32Å; G71-A75 WeakPolarHBondContact O-CB 3.49Å; G71-A75 PolarHBondContact O-N 3.11Å; G71-L101 VanDerWaalsContact C-CD2 3.46Å
72M98.2Very high96.8Very high16 Ų1622.5 Ų22.58%0.07913%0.132CC..Hα-helixtrans-59.7-44.1174.2-70.2-56.2-5700112G68 Y76 R100 L101 E104G68-M72 PolarHBondContact O-N 2.9Å; M72-Y76 VanDerWaalsContact O-CB 3.27Å; M72-Y76 WeakPolarHBondContact O-CB 3.44Å; M72-Y76 PolarHBondContact O-N 3.12Å; M72-R100 HydrophobicContact CE-CB 4.32Å; M72-R100 HydrophobicContact SD-CB 4.02Å; M72-L101 HydrophobicContact CG-CD2 4.21Å; M72-L101 HydrophobicContact SD-CD2 3.56Å; M72-L101 VanDerWaalsContact SD-CD2 3.56Å; M72-L101 HydrophobicContact SD-CG 3.97Å; M72-E104 HydrophobicContact CE-CG 3.55Å
73A98.6Very high96.8Very high0 Ų023.4 Ų23.40%014%0.138CC..Hα-helixtrans-64.5-39.517700000112.9K43 I47 N69 A70 G71 S77K43-A73 HydrophobicContact CB-CB 3.84Å; I47-A73 HydrophobicContact CB-CB 3.95Å; I47-A73 HydrophobicContact CD1-CB 3.97Å; I47-A73 HydrophobicContact CG2-CB 3.93Å; N69-A73 WeakPolarHBondContact O-CB 3.43Å; N69-A73 PolarHBondContact O-N 3.42Å; N69-A73 VanDerWaalsContact O-N 3.07Å; A70-A73 PolarHBondContact O-N 2.65Å; G71-A73 PolarHBondContact O-N 3.03Å; A73-S77 VanDerWaalsContact O-CB 3.27Å; A73-S77 WeakPolarHBondContact O-CB 3.42Å; A73-S77 PolarHBondContact O-N 2.86Å; A73-S77 PolarHBondContact O-OG 3.1Å
74A98.6Very high96.8Very high0 Ų026.3 Ų26.30%016%0.157CC..Hα-helixtrans-66.8-48.3176.400000111.5I47 C64 A70 G71 S77 A78 I87 I135I47-A74 HydrophobicContact CG2-CB 4.24Å; C64-A74 HydrophobicContact CB-CB 3.87Å; A70-A74 WeakPolarHBondContact O-CB 3.48Å; A70-A74 PolarHBondContact O-N 3.05Å; G71-A74 PolarHBondContact O-N 2.96Å; A74-S77 PolarHBondContact O-N 3.14Å; A74-A78 VanDerWaalsContact O-CB 3.28Å; A74-A78 WeakPolarHBondContact O-CB 3.46Å; A74-A78 PolarHBondContact O-N 3.45Å; A74-I87 HydrophobicContact CB-CD1 4.13Å; A74-I135 HydrophobicContact CB-CG2 4.2Å
75A98.6Very high96.8Very high1 Ų126.5 Ų26.51%0.00816%0.159CC..Hα-helixtrans-60.2-48178.500000111.9G71 S77 A78 R79 I87 L101 E104 A106G71-A75 VanDerWaalsContact O-CB 3.32Å; G71-A75 WeakPolarHBondContact O-CB 3.49Å; G71-A75 PolarHBondContact O-N 3.11Å; A75-S77 VanDerWaalsContact C-N 3.35Å; A75-S77 PolarHBondContact O-N 2.81Å; A75-A78 WeakPolarHBondContact O-CB 3.05Å; A75-A78 PolarHBondContact O-N 3.05Å; A75-R79 PolarHBondContact O-N 3.13Å; A75-I87 HydrophobicContact CB-CD1 4.38Å; A75-I87 HydrophobicContact CB-CG1 4.36Å; A75-L101 HydrophobicContact CB-CD2 4.42Å; A75-E104 HydrophobicContact CB-CB 3.62Å; A75-E104 HydrophobicContact CB-CG 4.32Å; A75-A106 HydrophobicContact CB-CB 3.74Å
76Y98.7Very high97Very high27 Ų2726.1 Ų26.111%0.10616%0.156CC..Hα-helixtrans-59.6-45175.1175.2-87.1000112.4P38 T39 I44 M72 A78 R79 K80 E104P38-Y76 HydrophobicContact CB-CD2 4.37Å; P38-Y76 HydrophobicContact CB-CE1 3.97Å; P38-Y76 HydrophobicContact CB-CE2 3.6Å; P38-Y76 VanDerWaalsContact CB-OH 3.31Å; P38-Y76 WeakPolarHBondContact CB-OH 3.39Å; T39-Y76 HydrophobicContact CG2-CD1 3.55Å; T39-Y76 HydrophobicContact CG2-CD2 3.89Å; T39-Y76 HydrophobicContact CG2-CE1 4.26Å; T39-Y76 HydrophobicContact CG2-CG 3.34Å; I44-Y76 HydrophobicContact CD1-CD1 3.53Å; I44-Y76 HydrophobicContact CD1-CE1 3.96Å; I44-Y76 HydrophobicContact CG1-CD1 4.16Å; I44-Y76 HydrophobicContact CG1-CE1 4.2Å; M72-Y76 VanDerWaalsContact O-CB 3.27Å; M72-Y76 WeakPolarHBondContact O-CB 3.44Å; M72-Y76 PolarHBondContact O-N 3.12Å; Y76-A78 VanDerWaalsContact C-N 3.33Å; Y76-A78 PolarHBondContact O-N 3.22Å; Y76-R79 VanDerWaalsContact CD2-NH2 3.31Å; Y76-R79 PolarHBondContact O-N 3.13Å; Y76-K80 HydrophobicContact CD1-CG 4.1Å; Y76-K80 HydrophobicContact CE1-CG 3.68Å; Y76-K80 HydrophobicContact CE2-CG 4.19Å; Y76-K80 VanDerWaalsContact CZ-CE 3.44Å; Y76-K80 WeakPolarHBondContact O-CG 3.49Å; Y76-K80 PolarHBondContact O-N 3.5Å; Y76-K80 VanDerWaalsContact OH-CE 3.22Å; Y76-K80 WeakPolarHBondContact OH-CE 3.47Å; Y76-E104 WeakPolarHBondContact CA-OE2 3.41Å; Y76-E104 VanDerWaalsContact CB-OE2 3.28Å; Y76-E104 WeakPolarHBondContact CB-OE2 2.98Å; Y76-E104 WeakPolarHBondContact CD2-OE2 3.47Å
77S98.6Very high97.3Very high0 Ų025 Ų250%015%0.148CC..Hα-helixtrans-63-43.1-179.9-60.30000111.3I44 G48 A73 A74 A75 K80 L81I44-S77 WeakPolarHBondContact CD1-OG 3.34Å; G48-S77 WeakPolarHBondContact CA-OG 3.48Å; A73-S77 VanDerWaalsContact O-CB 3.27Å; A73-S77 WeakPolarHBondContact O-CB 3.42Å; A73-S77 PolarHBondContact O-N 2.86Å; A73-S77 PolarHBondContact O-OG 3.1Å; A74-S77 PolarHBondContact O-N 3.14Å; A75-S77 VanDerWaalsContact C-N 3.35Å; A75-S77 PolarHBondContact O-N 2.81Å; S77-K80 PolarHBondContact O-N 3.17Å; S77-L81 VanDerWaalsContact O-CB 3.31Å; S77-L81 WeakPolarHBondContact O-CB 3.35Å; S77-L81 WeakPolarHBondContact O-CD1 3.37Å; S77-L81 WeakPolarHBondContact O-CG 3.42Å; S77-L81 PolarHBondContact O-N 2.88Å
78A98.4Very high97.9Very high3 Ų324.3 Ų24.33%0.02514%0.14CC..Hα-helixtrans-57.3-51.8176.100000111.5F62 A74 A75 Y76 K80 L81 G82 V83 A85F62-A78 HydrophobicContact CD2-CB 3.8Å; F62-A78 HydrophobicContact CE2-CB 4.49Å; A74-A78 VanDerWaalsContact O-CB 3.28Å; A74-A78 WeakPolarHBondContact O-CB 3.46Å; A74-A78 PolarHBondContact O-N 3.45Å; A75-A78 WeakPolarHBondContact O-CB 3.05Å; A75-A78 PolarHBondContact O-N 3.05Å; Y76-A78 VanDerWaalsContact C-N 3.33Å; Y76-A78 PolarHBondContact O-N 3.22Å; A78-K80 PolarHBondContact O-N 3.05Å; A78-L81 PolarHBondContact O-N 3.17Å; A78-G82 PolarHBondContact O-N 2.89Å; A78-V83 CarbonylContact C-O 3.51Å; A78-V83 VanDerWaalsContact C-O 3.28Å; A78-V83 WeakPolarHBondContact CA-O 3.31Å; A78-V83 WeakPolarHBondContact CB-O 3.33Å; A78-V83 PolarHBondContact O-N 3.42Å; A78-V83 VanDerWaalsContact O-N 3.08Å; A78-V83 VanDerWaalsContact O-O 3.1Å; A78-A85 HydrophobicContact CB-CB 3.37Å
79R98.3Very high98Very high111 Ų11123.3 Ų23.342%0.41913%0.13SC..Hα-helixtrans-56.8-46.5176.2-175.2-179.464-167.6-4.1112.4A75 Y76 L81 G82 D103 E104A75-R79 PolarHBondContact O-N 3.13Å; Y76-R79 VanDerWaalsContact CD2-NH2 3.31Å; Y76-R79 PolarHBondContact O-N 3.13Å; R79-L81 VanDerWaalsContact C-N 3.3Å; R79-L81 PolarHBondContact O-N 3.12Å; R79-G82 PolarHBondContact O-N 3.35Å; R79-D103 PolarHBondContact NH1-O 3.12Å; R79-E104 WeakPolarHBondContact CB-O 3.35Å; R79-E104 WeakPolarHBondContact CD-O 3.39Å; R79-E104 IonicContact CZ-OE1 2.93Å; R79-E104 IonicContact CZ-OE2 2.64Å; R79-E104 IonicContact NE-OE2 3.91Å; R79-E104 PolarHBondContact NE-OE2 3.16Å; R79-E104 VanDerWaalsContact NH1-CD 3.3Å; R79-E104 IonicContact NH1-OE1 3.97Å; R79-E104 PolarHBondContact NH1-OE1 2.77Å; R79-E104 IonicContact NH1-OE2 3.6Å; R79-E104 PolarHBondContact NH1-OE2 3.1Å; R79-E104 IonicContact NH2-OE1 2.6Å; R79-E104 PolarHBondContact NH2-OE1 3.21Å; R79-E104 IonicContact NH2-OE2 3.33Å; R79-E104 PolarHBondContact NH2-OE2 3.28Å
80K98.1Very high97.8Very high118 Ų11823.6 Ų23.651%0.51313%0.132SC..Hα-helixtrans-68.2-28.3-179.8-70.6-60.6-173.6-175.10113.5L9 Y76 S77 A78L9-K80 HydrophobicContact CD2-CB 3.84Å; L9-K80 HydrophobicContact CD2-CG 4.48Å; Y76-K80 HydrophobicContact CD1-CG 4.1Å; Y76-K80 HydrophobicContact CE1-CG 3.68Å; Y76-K80 HydrophobicContact CE2-CG 4.19Å; Y76-K80 VanDerWaalsContact CZ-CE 3.44Å; Y76-K80 WeakPolarHBondContact O-CG 3.49Å; Y76-K80 PolarHBondContact O-N 3.5Å; Y76-K80 VanDerWaalsContact OH-CE 3.22Å; Y76-K80 WeakPolarHBondContact OH-CE 3.47Å; S77-K80 PolarHBondContact O-N 3.17Å; A78-K80 PolarHBondContact O-N 3.05Å
81L97.6Very high97.6Very high45 Ų4527 Ų2724%0.23616%0.156CC..Hα-helixtrans-93.4-6.7-179.2-65.7168.2000113.3L9 C51 K52 A55 F62 S77 A78 R79 V83L9-L81 HydrophobicContact CD1-CD1 4Å; L9-L81 HydrophobicContact CD1-CD2 4.45Å; L9-L81 HydrophobicContact CD1-CG 4.12Å; C51-L81 HydrophobicContact CB-CD1 3.85Å; K52-L81 HydrophobicContact CB-CD1 4.39Å; K52-L81 HydrophobicContact CB-CD2 4.43Å; K52-L81 HydrophobicContact CG-CD2 4.42Å; A55-L81 HydrophobicContact CB-CB 4.35Å; A55-L81 HydrophobicContact CB-CD1 3.97Å; A55-L81 HydrophobicContact CB-CD2 4.42Å; A55-L81 HydrophobicContact CB-CG 4.48Å; F62-L81 HydrophobicContact CE2-CD1 4.19Å; F62-L81 HydrophobicContact CZ-CD1 4.39Å; S77-L81 VanDerWaalsContact O-CB 3.31Å; S77-L81 WeakPolarHBondContact O-CB 3.35Å; S77-L81 WeakPolarHBondContact O-CD1 3.37Å; S77-L81 WeakPolarHBondContact O-CG 3.42Å; S77-L81 PolarHBondContact O-N 2.88Å; A78-L81 PolarHBondContact O-N 3.17Å; R79-L81 VanDerWaalsContact C-N 3.3Å; R79-L81 PolarHBondContact O-N 3.12Å; L81-V83 HydrophobicContact CB-CG2 4.22Å; L81-V83 PolarHBondContact O-N 3.01Å
82G97.5Very high97.2Very high68 Ų6832.2 Ų32.270%0.70119%0.188SC*.THydrogen-bonded Turntrans69.221.3-175.600000113.6A78 R79A78-G82 PolarHBondContact O-N 2.89Å; R79-G82 PolarHBondContact O-N 3.35Å
83V98.3Very high96.7Very high19 Ų1932.7 Ų32.712%0.11519%0.192CC..  trans-104.1132.8177.4-179.70000108.1A55 F62 A78 L81A55-V83 HydrophobicContact CB-CG2 4.09Å; F62-V83 HydrophobicContact CD2-CB 4.13Å; F62-V83 HydrophobicContact CD2-CG1 3.89Å; F62-V83 HydrophobicContact CE2-CB 3.73Å; F62-V83 HydrophobicContact CE2-CG1 3.77Å; F62-V83 HydrophobicContact CE2-CG2 4.22Å; F62-V83 HydrophobicContact CG-CG1 4.48Å; F62-V83 HydrophobicContact CZ-CB 4.45Å; F62-V83 HydrophobicContact CZ-CG1 4.26Å; A78-V83 CarbonylContact C-O 3.51Å; A78-V83 VanDerWaalsContact C-O 3.28Å; A78-V83 WeakPolarHBondContact CA-O 3.31Å; A78-V83 WeakPolarHBondContact CB-O 3.33Å; A78-V83 PolarHBondContact O-N 3.42Å; A78-V83 VanDerWaalsContact O-N 3.08Å; A78-V83 VanDerWaalsContact O-O 3.1Å; L81-V83 HydrophobicContact CB-CG2 4.22Å; L81-V83 PolarHBondContact O-N 3.01Å
84P98.5Very high96.3Very high61 Ų6135.9 Ų35.940%0.39621%0.212SC..  trans-56.8145.1173.7-26.433.5000113.3E60 R61 F62E60-P84 WeakPolarHBondContact O-CD 3.37Å; R61-P84 WeakPolarHBondContact CA-O 3.45Å; R61-P84 HydrophobicContact CG-CB 4.27Å; R61-P84 WeakPolarHBondContact CG-O 3.37Å; F62-P84 PolarHBondContact N-O 3.28Å
85A98.6Very high95.9Very high6 Ų643.7 Ų43.75%0.0525%0.246CC..EExtended strand (participates in β ladder)trans-120.6139.9168.900000111.6F62 A78 A106 N107F62-A85 HydrophobicContact CB-CB 4.48Å; F62-A85 CarbonylContact O-C 3.52Å; F62-A85 WeakPolarHBondContact O-CA 3.37Å; A78-A85 HydrophobicContact CB-CB 3.37Å; A85-A106 HydrophobicContact CB-CB 4.02Å; A85-N107 WeakPolarHBondContact O-CB 3.19Å; A85-N107 PolarHBondContact O-N 3.39Å
86T98.6Very high95.6Very high3 Ų347.2 Ų47.22%0.01827%0.269CS..EExtended strand (participates in β ladder)trans-113.7118.7164.6-63.80000109R61 F62 V63 C64 I88 N107 V109R61-T86 PolarHBondContact NH1-OG1 3.36Å; F62-T86 PolarHBondContact O-N 3.34Å; V63-T86 WeakPolarHBondContact CA-O 3.28Å; C64-T86 PolarHBondContact N-O 3.12Å; T86-I88 HydrophobicContact CG2-CG1 4.02Å; T86-N107 CarbonylContact C-O 3.31Å; T86-N107 VanDerWaalsContact CA-O 3.23Å; T86-N107 WeakPolarHBondContact CA-O 3.34Å; T86-V109 HydrophobicContact CG2-CB 4.44Å; T86-V109 HydrophobicContact CG2-CG2 3.76Å
87I98.3Very high95.2Very high1 Ų146.5 Ų46.51%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-105.8120.7175.8-48.7-63.1000108.4C64 S66 A74 A75 V89 L101 A106 N107 V108 V109C64-I87 HydrophobicContact CB-CD1 3.77Å; C64-I87 CarbonylContact O-C 3.55Å; C64-I87 WeakPolarHBondContact O-CA 3.49Å; S66-I87 WeakPolarHBondContact O-CG2 3.23Å; A74-I87 HydrophobicContact CB-CD1 4.13Å; A75-I87 HydrophobicContact CB-CD1 4.38Å; A75-I87 HydrophobicContact CB-CG1 4.36Å; I87-V89 HydrophobicContact CG2-CG1 4.03Å; I87-L101 HydrophobicContact CB-CD1 4.42Å; I87-L101 HydrophobicContact CG1-CD2 4.25Å; I87-L101 HydrophobicContact CG2-CD1 3.79Å; I87-L101 HydrophobicContact CG2-CD2 4.15Å; I87-A106 HydrophobicContact CG1-CB 3.72Å; I87-N107 PolarHBondContact N-O 3.48Å; I87-V108 CarbonylContact O-C 3.59Å; I87-V108 VanDerWaalsContact O-CA 3.31Å; I87-V108 WeakPolarHBondContact O-CA 3.31Å; I87-V109 PolarHBondContact O-N 2.92Å
88I98Very high95Very high0 Ų046.9 Ų46.90%027%0.27CS..EExtended strand (participates in β ladder)trans-104.2125.7-176.3-52.9164.7000107.9V63 C64 C65 S66 T86 V109 H111 Y121 L125V63-I88 HydrophobicContact CG1-CD1 3.63Å; V63-I88 HydrophobicContact CG1-CG1 4.45Å; C64-I88 PolarHBondContact O-N 2.83Å; C65-I88 CarbonylContact C-O 3.38Å; C65-I88 WeakPolarHBondContact CA-O 3.35Å; S66-I88 PolarHBondContact N-O 3.25Å; T86-I88 HydrophobicContact CG2-CG1 4.02Å; I88-V109 VanDerWaalsContact CA-O 3.32Å; I88-V109 WeakPolarHBondContact CA-O 3.31Å; I88-V109 HydrophobicContact CG1-CB 4.37Å; I88-H111 HydrophobicContact CG2-CB 3.94Å; I88-Y121 HydrophobicContact CD1-CD1 3.92Å; I88-Y121 HydrophobicContact CD1-CE1 4.35Å; I88-Y121 HydrophobicContact CG1-CD1 4.47Å; I88-Y121 HydrophobicContact CG2-CD1 4Å; I88-L125 HydrophobicContact CD1-CD1 3.83Å
89V95.8Very high94.9Very high1 Ų151.3 Ų51.31%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-133.1147.3-176.3-56.60000110.3I87 T93 V98 L101 V108 V109 I110 H111I87-V89 HydrophobicContact CG2-CG1 4.03Å; V89-T93 HydrophobicContact CB-CG2 4.09Å; V89-T93 WeakPolarHBondContact CB-OG1 3.43Å; V89-T93 HydrophobicContact CG1-CG2 4.42Å; V89-T93 HydrophobicContact CG2-CG2 4.2Å; V89-V98 HydrophobicContact CG2-CG2 4.15Å; V89-L101 HydrophobicContact CG1-CD1 4.16Å; V89-V108 HydrophobicContact CG1-CG1 4.43Å; V89-V108 HydrophobicContact CG2-CG1 3.89Å; V89-V109 PolarHBondContact N-O 2.82Å; V89-I110 HydrophobicContact CG2-CG1 4.12Å; V89-I110 CarbonylContact O-C 3.53Å; V89-I110 VanDerWaalsContact O-CA 3.31Å; V89-I110 WeakPolarHBondContact O-CA 3.46Å; V89-H111 PolarHBondContact O-N 3.43Å
90P93.3Very high94.7Very high14 Ų1449.6 Ų49.69%0.09128%0.283CS..  trans-71.5159.3176.129.9-35.9000110.7V92 T93 G112P90-V92 HydrophobicContact CB-CG2 4.11Å; P90-V92 HydrophobicContact CG-CG2 3.95Å; P90-V92 PolarHBondContact O-N 2.9Å; P90-V92 VanDerWaalsContact O-N 3.07Å; P90-T93 VanDerWaalsContact CD-OG1 3.31Å; P90-T93 WeakPolarHBondContact CD-OG1 3.3Å; P90-T93 VanDerWaalsContact O-CB 3.26Å; P90-T93 WeakPolarHBondContact O-CB 3.47Å; P90-T93 PolarHBondContact O-N 3.12Å; P90-T93 PolarHBondContact O-OG1 2.9Å; P90-G112 WeakPolarHBondContact CA-O 3.31Å
91S92.3Very high94.6Very high72 Ų7244 Ų4450%0.50326%0.259SS..THydrogen-bonded Turntrans-58.7-21.6-179.453.20000114.8T93 G112S91-T93 PolarHBondContact O-N 3.28Å; S91-G112 PolarHBondContact N-O 2.9Å; S91-G112 PolarHBondContact OG-O 3.37Å
92V87.6Confident94.7Very high110 Ų11047.8 Ų47.867%0.66727%0.27SS*.THydrogen-bonded Turntrans-78.1-3.9175.8-61.20000114P90P90-V92 HydrophobicContact CB-CG2 4.11Å; P90-V92 HydrophobicContact CG-CG2 3.95Å; P90-V92 PolarHBondContact O-N 2.9Å; P90-V92 VanDerWaalsContact O-N 3.07Å
93T89.1Confident94.6Very high27 Ų2750.3 Ų50.317%0.16627%0.268CS..SBendtrans-67.5128.5-178-56.30000110.9V89 P90 S91 K95 T97 V98V89-T93 HydrophobicContact CB-CG2 4.09Å; V89-T93 WeakPolarHBondContact CB-OG1 3.43Å; V89-T93 HydrophobicContact CG1-CG2 4.42Å; V89-T93 HydrophobicContact CG2-CG2 4.2Å; P90-T93 VanDerWaalsContact CD-OG1 3.31Å; P90-T93 WeakPolarHBondContact CD-OG1 3.3Å; P90-T93 VanDerWaalsContact O-CB 3.26Å; P90-T93 WeakPolarHBondContact O-CB 3.47Å; P90-T93 PolarHBondContact O-N 3.12Å; P90-T93 PolarHBondContact O-OG1 2.9Å; S91-T93 PolarHBondContact O-N 3.28Å; T93-K95 PolarHBondContact O-N 2.74Å; T93-T97 HydrophobicContact CG2-CG2 3.9Å; T93-V98 HydrophobicContact CG2-CG2 4.04Å
94P89.1Confident94.6Very high66 Ų6650.8 Ų50.843%0.42927%0.269SS..  trans-58.1138.8-179.4-25.934.7000113.1P96 T97 V98P94-P96 VanDerWaalsContact C-CD 3.48Å; P94-T97 WeakPolarHBondContact O-CA 3.24Å; P94-T97 VanDerWaalsContact O-CB 3.26Å; P94-T97 WeakPolarHBondContact O-CB 3.36Å; P94-T97 PolarHBondContact O-N 3.44Å; P94-V98 PolarHBondContact O-N 3.04Å
95K91.2Very high94.6Very high165 Ų16551 Ų5172%0.71728%0.282SS*.Hα-helixtrans-51.8-44.4177.5-65.8-176.4178-177.40114T93 T97 V98 E99T93-K95 PolarHBondContact O-N 2.74Å; K95-T97 PolarHBondContact O-N 3.22Å; K95-T97 VanDerWaalsContact O-N 3.15Å; K95-V98 WeakPolarHBondContact O-CB 3.43Å; K95-V98 PolarHBondContact O-N 2.77Å; K95-E99 WeakPolarHBondContact O-CG 3.32Å; K95-E99 PolarHBondContact O-N 3.25Å
96P91.2Very high94.5Very high75 Ų7551.1 Ų51.149%0.48728%0.283SS..Hα-helixtrans-63.2-23.5178.1-23.435.2000113.8P94 R100P94-P96 VanDerWaalsContact C-CD 3.48Å; P96-R100 WeakPolarHBondContact O-CG 3.46Å; P96-R100 PolarHBondContact O-N 3.04Å; P96-R100 PolarHBondContact O-NE 2.6Å; P96-R100 VanDerWaalsContact O-NE 3.13Å
97T90.9Very high94.5Very high12 Ų1255 Ų557%0.07430%0.304CS..Hα-helixtrans-76.6-42.3174.7-62.50000110.8G67 T93 P94 K95 R100 L101G67-T97 WeakPolarHBondContact O-CG2 3.48Å; T93-T97 HydrophobicContact CG2-CG2 3.9Å; P94-T97 WeakPolarHBondContact O-CA 3.24Å; P94-T97 VanDerWaalsContact O-CB 3.26Å; P94-T97 WeakPolarHBondContact O-CB 3.36Å; P94-T97 PolarHBondContact O-N 3.44Å; K95-T97 PolarHBondContact O-N 3.22Å; K95-T97 VanDerWaalsContact O-N 3.15Å; T97-R100 PolarHBondContact O-N 3.34Å; T97-L101 WeakPolarHBondContact O-CG 3.46Å; T97-L101 PolarHBondContact O-N 3.15Å
98V94.8Very high94.5Very high7 Ų755.6 Ų55.64%0.04231%0.307CS..Hα-helixtrans-61.6-43.9174173.10000111.3V89 T93 P94 K95 L101 R102 V108V89-V98 HydrophobicContact CG2-CG2 4.15Å; T93-V98 HydrophobicContact CG2-CG2 4.04Å; P94-V98 PolarHBondContact O-N 3.04Å; K95-V98 WeakPolarHBondContact O-CB 3.43Å; K95-V98 PolarHBondContact O-N 2.77Å; V98-L101 PolarHBondContact O-N 3.36Å; V98-R102 WeakPolarHBondContact O-CG 3.29Å; V98-R102 PolarHBondContact O-N 3.43Å; V98-R102 VanDerWaalsContact O-N 3.12Å; V98-V108 HydrophobicContact CG1-CB 4.27Å; V98-V108 HydrophobicContact CG1-CG1 3.91Å
99E95.4Very high94.5Very high97 Ų9757.2 Ų57.245%0.45332%0.317SS..Hα-helixtrans-61.7-47.3178.6-73.5162.9-176.600111.4K95 L101 R102 D103K95-E99 WeakPolarHBondContact O-CG 3.32Å; K95-E99 PolarHBondContact O-N 3.25Å; E99-L101 VanDerWaalsContact C-N 3.27Å; E99-L101 PolarHBondContact O-N 3.24Å; E99-R102 CarbonylContact O-C 3.56Å; E99-R102 WeakPolarHBondContact O-CA 3.46Å; E99-R102 WeakPolarHBondContact O-CB 3.15Å; E99-R102 PolarHBondContact O-N 3.33Å; E99-D103 VanDerWaalsContact O-CG 3.28Å; E99-D103 PolarHBondContact O-N 2.88Å
100R94.5Very high94.6Very high74 Ų7461.9 Ų61.928%0.27934%0.341SS..Hα-helixtrans-58-36.4176.5-78.6-176.6-73.8-174.43.2114M72 P96 T97 R102 D103 E104 N308M72-R100 HydrophobicContact CE-CB 4.32Å; M72-R100 HydrophobicContact SD-CB 4.02Å; P96-R100 WeakPolarHBondContact O-CG 3.46Å; P96-R100 PolarHBondContact O-N 3.04Å; P96-R100 PolarHBondContact O-NE 2.6Å; P96-R100 VanDerWaalsContact O-NE 3.13Å; T97-R100 PolarHBondContact O-N 3.34Å; R100-R102 VanDerWaalsContact C-N 3.35Å; R100-D103 PolarHBondContact O-N 3.27Å; R100-E104 PolarHBondContact O-N 3.46Å; R100-N308 PolarHBondContact NH1-O 3.42Å; R100-N308 PolarHBondContact NH2-O 3.3Å
101L97.3Very high94.7Very high0 Ų064.6 Ų64.60%035%0.352CS..Hα-helixtrans-69-35174.8-68.6164.2000111.9G71 M72 A75 I87 V89 T97 V98 E99 E104 A106 V108G71-L101 VanDerWaalsContact C-CD2 3.46Å; M72-L101 HydrophobicContact CG-CD2 4.21Å; M72-L101 HydrophobicContact SD-CD2 3.56Å; M72-L101 VanDerWaalsContact SD-CD2 3.56Å; M72-L101 HydrophobicContact SD-CG 3.97Å; A75-L101 HydrophobicContact CB-CD2 4.42Å; I87-L101 HydrophobicContact CB-CD1 4.42Å; I87-L101 HydrophobicContact CG1-CD2 4.25Å; I87-L101 HydrophobicContact CG2-CD1 3.79Å; I87-L101 HydrophobicContact CG2-CD2 4.15Å; V89-L101 HydrophobicContact CG1-CD1 4.16Å; T97-L101 WeakPolarHBondContact O-CG 3.46Å; T97-L101 PolarHBondContact O-N 3.15Å; V98-L101 PolarHBondContact O-N 3.36Å; E99-L101 VanDerWaalsContact C-N 3.27Å; E99-L101 PolarHBondContact O-N 3.24Å; L101-E104 PolarHBondContact O-N 3.49Å; L101-A106 WeakPolarHBondContact O-CB 2.83Å; L101-A106 PolarHBondContact O-N 3.08Å; L101-V108 HydrophobicContact CB-CG2 3.54Å; L101-V108 HydrophobicContact CD1-CG2 4.47Å
102R97.8Very high94.6Very high126 Ų12662 Ų6248%0.47534%0.337SS..Hα-helixtrans-71.9-34.6174.8-69.4176.8-179.5147.20.5112.4V98 E99 R100 E104 G105 V108V98-R102 WeakPolarHBondContact O-CG 3.29Å; V98-R102 PolarHBondContact O-N 3.43Å; V98-R102 VanDerWaalsContact O-N 3.12Å; E99-R102 CarbonylContact O-C 3.56Å; E99-R102 WeakPolarHBondContact O-CA 3.46Å; E99-R102 WeakPolarHBondContact O-CB 3.15Å; E99-R102 PolarHBondContact O-N 3.33Å; R100-R102 VanDerWaalsContact C-N 3.35Å; R102-E104 PolarHBondContact O-N 2.82Å; R102-G105 WeakPolarHBondContact O-CA 3.31Å; R102-G105 PolarHBondContact O-N 3.46Å; R102-V108 HydrophobicContact CG-CB 4.21Å; R102-V108 HydrophobicContact CG-CG2 3.64Å
103D97.2Very high94.6Very high121 Ų12164.7 Ų64.765%0.64734%0.339SS*.Hα-helixtrans-63.7-26.2174.6-63.5-23.6000111.9R79 E99 R100 G105R79-D103 PolarHBondContact NH1-O 3.12Å; E99-D103 VanDerWaalsContact O-CG 3.28Å; E99-D103 PolarHBondContact O-N 2.88Å; R100-D103 PolarHBondContact O-N 3.27Å; D103-G105 PolarHBondContact O-N 2.84Å
104E97.8Very high94.3Very high29 Ų2965.4 Ų65.414%0.13635%0.348CS..THydrogen-bonded Turntrans-76.50.1168.7-70.9-64.1130.200113.6M72 A75 Y76 R79 R100 L101 R102 A106M72-E104 HydrophobicContact CE-CG 3.55Å; A75-E104 HydrophobicContact CB-CB 3.62Å; A75-E104 HydrophobicContact CB-CG 4.32Å; Y76-E104 WeakPolarHBondContact CA-OE2 3.41Å; Y76-E104 VanDerWaalsContact CB-OE2 3.28Å; Y76-E104 WeakPolarHBondContact CB-OE2 2.98Å; Y76-E104 WeakPolarHBondContact CD2-OE2 3.47Å; R79-E104 WeakPolarHBondContact CB-O 3.35Å; R79-E104 WeakPolarHBondContact CD-O 3.39Å; R79-E104 IonicContact CZ-OE1 2.93Å; R79-E104 IonicContact CZ-OE2 2.64Å; R79-E104 IonicContact NE-OE2 3.91Å; R79-E104 PolarHBondContact NE-OE2 3.16Å; R79-E104 VanDerWaalsContact NH1-CD 3.3Å; R79-E104 IonicContact NH1-OE1 3.97Å; R79-E104 PolarHBondContact NH1-OE1 2.77Å; R79-E104 IonicContact NH1-OE2 3.6Å; R79-E104 PolarHBondContact NH1-OE2 3.1Å; R79-E104 IonicContact NH2-OE1 2.6Å; R79-E104 PolarHBondContact NH2-OE1 3.21Å; R79-E104 IonicContact NH2-OE2 3.33Å; R79-E104 PolarHBondContact NH2-OE2 3.28Å; R100-E104 PolarHBondContact O-N 3.46Å; L101-E104 PolarHBondContact O-N 3.49Å; R102-E104 PolarHBondContact O-N 2.82Å; E104-A106 VanDerWaalsContact C-N 3.34Å
105G97.4Very high94Very high65 Ų6566.3 Ų66.367%0.6735%0.349SS*.THydrogen-bonded Turntrans79.811.8179.800000114.3R102 D103R102-G105 WeakPolarHBondContact O-CA 3.31Å; R102-G105 PolarHBondContact O-N 3.46Å; D103-G105 PolarHBondContact O-N 2.84Å
106A98.1Very high93.7Very high9 Ų963.6 Ų63.67%0.07434%0.342CS..  trans-82145.6178.700000112.4A75 A85 I87 L101 E104 V108A75-A106 HydrophobicContact CB-CB 3.74Å; A85-A106 HydrophobicContact CB-CB 4.02Å; I87-A106 HydrophobicContact CG1-CB 3.72Å; L101-A106 WeakPolarHBondContact O-CB 2.83Å; L101-A106 PolarHBondContact O-N 3.08Å; E104-A106 VanDerWaalsContact C-N 3.34Å; A106-V108 PolarHBondContact O-N 3.39Å
107N98.4Very high93.5Very high85 Ų8563.5 Ų63.546%0.45534%0.335SS..EExtended strand (participates in β ladder)trans-74.5109.4167.5176.640.9000109.3A85 T86 I87A85-N107 WeakPolarHBondContact O-CB 3.19Å; A85-N107 PolarHBondContact O-N 3.39Å; T86-N107 CarbonylContact C-O 3.31Å; T86-N107 VanDerWaalsContact CA-O 3.23Å; T86-N107 WeakPolarHBondContact CA-O 3.34Å; I87-N107 PolarHBondContact N-O 3.48Å
108V98.2Very high93.6Very high12 Ų1263 Ų637%0.07333%0.332CS..EExtended strand (participates in β ladder)trans-95.5114.7179.6-172.20000110.5I87 V89 V98 L101 R102 A106I87-V108 CarbonylContact O-C 3.59Å; I87-V108 VanDerWaalsContact O-CA 3.31Å; I87-V108 WeakPolarHBondContact O-CA 3.31Å; V89-V108 HydrophobicContact CG1-CG1 4.43Å; V89-V108 HydrophobicContact CG2-CG1 3.89Å; V98-V108 HydrophobicContact CG1-CB 4.27Å; V98-V108 HydrophobicContact CG1-CG1 3.91Å; L101-V108 HydrophobicContact CB-CG2 3.54Å; L101-V108 HydrophobicContact CD1-CG2 4.47Å; R102-V108 HydrophobicContact CG-CB 4.21Å; R102-V108 HydrophobicContact CG-CG2 3.64Å; A106-V108 PolarHBondContact O-N 3.39Å
109V97.8Very high93.5Very high35 Ų3565.3 Ų65.321%0.21234%0.343CS..EExtended strand (participates in β ladder)trans-101.9124.4177.5178.90000109.3T86 I87 I88 V89 H111 Y121T86-V109 HydrophobicContact CG2-CB 4.44Å; T86-V109 HydrophobicContact CG2-CG2 3.76Å; I87-V109 PolarHBondContact O-N 2.92Å; I88-V109 VanDerWaalsContact CA-O 3.32Å; I88-V109 WeakPolarHBondContact CA-O 3.31Å; I88-V109 HydrophobicContact CG1-CB 4.37Å; V89-V109 PolarHBondContact N-O 2.82Å; V109-H111 HydrophobicContact CG1-CB 4.33Å; V109-Y121 HydrophobicContact CG1-CE1 3.95Å
110I97.1Very high93.4Very high98 Ų9866 Ų6650%0.50335%0.346SS..EExtended strand (participates in β ladder)trans-91.2111.6174-58.6174.5000107.7V89V89-I110 HydrophobicContact CG2-CG1 4.12Å; V89-I110 CarbonylContact O-C 3.53Å; V89-I110 VanDerWaalsContact O-CA 3.31Å; V89-I110 WeakPolarHBondContact O-CA 3.46Å
111H96.3Very high93.5Very high72 Ų7265.5 Ų65.533%0.33335%0.345SS..  trans-143.6131.7-179.1-169.196000111.3I88 V89 V109 S118 Y121I88-H111 HydrophobicContact CG2-CB 3.94Å; V89-H111 PolarHBondContact O-N 3.43Å; V109-H111 HydrophobicContact CG1-CB 4.33Å; H111-S118 PolarHBondContact O-OG 3.28Å; H111-Y121 HydrophobicContact CB-CD1 3.78Å; H111-Y121 HydrophobicContact CB-CE1 4.24Å; H111-Y121 HydrophobicContact CB-CG 4.3Å; H111-Y121 WeakPolarHBondContact CD2-CB 3.39Å; H111-Y121 AromaticContact CD2-CD1 3.99Å; H111-Y121 AromaticContact CD2-CG 3.59Å; H111-Y121 AromaticContact CE1-CD2 3.7Å; H111-Y121 AromaticContact CE1-CG 3.87Å; H111-Y121 AromaticContact CG-CD1 3.62Å; H111-Y121 AromaticContact CG-CG 3.65Å; H111-Y121 AromaticContact ND1-CD1 3.93Å; H111-Y121 AromaticContact ND1-CD2 3.92Å; H111-Y121 AromaticContact ND1-CG 3.83Å; H111-Y121 AromaticContact NE2-CD2 3.88Å; H111-Y121 AromaticContact NE2-CG 3.76Å
112G90.5Very high93.5Very high17 Ų1765.5 Ų65.518%0.17535%0.345CS..  trans86.2159.9-178.600000114.6P90 S91 E117P90-G112 WeakPolarHBondContact CA-O 3.31Å; S91-G112 PolarHBondContact N-O 2.9Å; S91-G112 PolarHBondContact OG-O 3.37Å; G112-E117 WeakPolarHBondContact CA-OE2 3.46Å
113K86.6Confident93.4Very high166 Ų16664.6 Ų64.672%0.72235%0.346SS*.SBendtrans-89.9-30.5169.3-65.7-179.2-178.4176.20111.1E117K113-E117 WeakPolarHBondContact CA-OE1 3.13Å; K113-E117 PolarHBondContact N-OE1 2.76Å; K113-E117 PolarHBondContact N-OE2 3.15Å
114A82.3Confident93.4Very high42 Ų4263.2 Ų63.235%0.34734%0.336SS..SBendtrans-119.8162.517800000112.6N116 E117 S118A114-N116 VanDerWaalsContact C-N 3.3Å; A114-N116 WeakPolarHBondContact CB-OD1 3.49Å; A114-N116 PolarHBondContact O-N 3.15Å; A114-E117 PolarHBondContact N-OE1 3.13Å; A114-E117 PolarHBondContact O-N 2.95Å; A114-S118 PolarHBondContact O-N 3.18Å
115L82.9Confident93.4Very high86 Ų8663.2 Ų63.245%0.4534%0.337SS..Hα-helixtrans-63.6-33.6-175.5179.362000113C65 S118 I119C65-L115 WeakPolarHBondContact O-CD1 3.16Å; L115-S118 WeakPolarHBondContact O-CB 3.38Å; L115-S118 PolarHBondContact O-N 3.08Å; L115-I119 HydrophobicContact CD1-CD1 4.47Å; L115-I119 HydrophobicContact CD1-CG1 4.49Å; L115-I119 HydrophobicContact CG-CD1 3.96Å; L115-I119 HydrophobicContact CG-CG1 4.43Å; L115-I119 WeakPolarHBondContact O-CG1 3.43Å; L115-I119 PolarHBondContact O-N 3.3Å
116N84.6Confident93.4Very high107 Ų10761.7 Ų61.757%0.57232%0.315SS*.Hα-helixtrans-61.4-42.7177.360.9-38.1000112A114 S118 I119 E120A114-N116 VanDerWaalsContact C-N 3.3Å; A114-N116 WeakPolarHBondContact CB-OD1 3.49Å; A114-N116 PolarHBondContact O-N 3.15Å; N116-S118 VanDerWaalsContact C-N 3.33Å; N116-S118 PolarHBondContact O-N 3.45Å; N116-I119 PolarHBondContact O-N 3.41Å; N116-E120 PolarHBondContact O-N 3.26Å
117E88.4Confident93.4Very high74 Ų7465.1 Ų65.135%0.34634%0.343SS..Hα-helixtrans-61.9-41.7174.9-64.2171.3-96.200111G112 K113 A114 I119 E120 Y121G112-E117 WeakPolarHBondContact CA-OE2 3.46Å; K113-E117 WeakPolarHBondContact CA-OE1 3.13Å; K113-E117 PolarHBondContact N-OE1 2.76Å; K113-E117 PolarHBondContact N-OE2 3.15Å; A114-E117 PolarHBondContact N-OE1 3.13Å; A114-E117 PolarHBondContact O-N 2.95Å; E117-I119 VanDerWaalsContact C-N 3.34Å; E117-I119 PolarHBondContact O-N 3.42Å; E117-E120 PolarHBondContact O-N 3.25Å; E117-Y121 WeakPolarHBondContact O-CB 3.47Å; E117-Y121 PolarHBondContact O-N 3.21Å
118S92.9Very high93.4Very high0 Ų066.9 Ų66.90%035%0.352CS..Hα-helixtrans-62.2-40.1174.6-53.50000112.1C65 H111 A114 L115 N116 G122C65-S118 PolarHBondContact SG-O 2.81Å; H111-S118 PolarHBondContact O-OG 3.28Å; A114-S118 PolarHBondContact O-N 3.18Å; L115-S118 WeakPolarHBondContact O-CB 3.38Å; L115-S118 PolarHBondContact O-N 3.08Å; N116-S118 VanDerWaalsContact C-N 3.33Å; N116-S118 PolarHBondContact O-N 3.45Å; S118-G122 PolarHBondContact O-N 3.1Å
119I92.1Very high93.3Very high56 Ų5668.9 Ų68.929%0.28736%0.363SS..Hα-helixtrans-65.1-49.4177.8-71.2165.5000110.6C65 L115 N116 E117 Y121 G122 Q123 F134C65-I119 HydrophobicContact CB-CB 4.44Å; C65-I119 HydrophobicContact CB-CG1 3.74Å; L115-I119 HydrophobicContact CD1-CD1 4.47Å; L115-I119 HydrophobicContact CD1-CG1 4.49Å; L115-I119 HydrophobicContact CG-CD1 3.96Å; L115-I119 HydrophobicContact CG-CG1 4.43Å; L115-I119 WeakPolarHBondContact O-CG1 3.43Å; L115-I119 PolarHBondContact O-N 3.3Å; N116-I119 PolarHBondContact O-N 3.41Å; E117-I119 VanDerWaalsContact C-N 3.34Å; E117-I119 PolarHBondContact O-N 3.42Å; I119-Y121 VanDerWaalsContact C-N 3.33Å; I119-Y121 PolarHBondContact O-N 3.3Å; I119-G122 PolarHBondContact O-N 3.42Å; I119-G122 VanDerWaalsContact O-N 3.14Å; I119-Q123 HydrophobicContact CG2-CG 4.35Å; I119-Q123 WeakPolarHBondContact O-CG 3.32Å; I119-Q123 PolarHBondContact O-N 3.12Å; I119-F134 HydrophobicContact CG2-CZ 4.43Å
120E94.2Very high93.3Very high111 Ų11172.7 Ų72.752%0.51939%0.388SS..Hα-helixtrans-57.5-47.9179.2-175.3179.6177.700110.9N116 E117 G122 Q123 Q124N116-E120 PolarHBondContact O-N 3.26Å; E117-E120 PolarHBondContact O-N 3.25Å; E120-G122 VanDerWaalsContact C-N 3.34Å; E120-G122 PolarHBondContact O-N 2.88Å; E120-Q123 PolarHBondContact O-N 3.35Å; E120-Q124 WeakPolarHBondContact O-CG 3.35Å; E120-Q124 PolarHBondContact O-N 3.43Å
121Y96.7Very high93.3Very high64 Ų6469.6 Ų69.625%0.25138%0.38SS..Hα-helixtrans-60.8-41.1176.4-179.2-112.4000112.6I88 V109 H111 E117 I119 Q124 L125I88-Y121 HydrophobicContact CD1-CD1 3.92Å; I88-Y121 HydrophobicContact CD1-CE1 4.35Å; I88-Y121 HydrophobicContact CG1-CD1 4.47Å; I88-Y121 HydrophobicContact CG2-CD1 4Å; V109-Y121 HydrophobicContact CG1-CE1 3.95Å; H111-Y121 HydrophobicContact CB-CD1 3.78Å; H111-Y121 HydrophobicContact CB-CE1 4.24Å; H111-Y121 HydrophobicContact CB-CG 4.3Å; H111-Y121 WeakPolarHBondContact CD2-CB 3.39Å; H111-Y121 AromaticContact CD2-CD1 3.99Å; H111-Y121 AromaticContact CD2-CG 3.59Å; H111-Y121 AromaticContact CE1-CD2 3.7Å; H111-Y121 AromaticContact CE1-CG 3.87Å; H111-Y121 AromaticContact CG-CD1 3.62Å; H111-Y121 AromaticContact CG-CG 3.65Å; H111-Y121 AromaticContact ND1-CD1 3.93Å; H111-Y121 AromaticContact ND1-CD2 3.92Å; H111-Y121 AromaticContact ND1-CG 3.83Å; H111-Y121 AromaticContact NE2-CD2 3.88Å; H111-Y121 AromaticContact NE2-CG 3.76Å; E117-Y121 WeakPolarHBondContact O-CB 3.47Å; E117-Y121 PolarHBondContact O-N 3.21Å; I119-Y121 VanDerWaalsContact C-N 3.33Å; I119-Y121 PolarHBondContact O-N 3.3Å; Y121-Q124 PolarHBondContact O-N 2.97Å; Y121-L125 HydrophobicContact CD1-CD1 4.07Å; Y121-L125 HydrophobicContact CE1-CD1 3.53Å; Y121-L125 HydrophobicContact CE1-CG 4.15Å; Y121-L125 HydrophobicContact CE2-CG 4.39Å; Y121-L125 WeakPolarHBondContact O-CG 3.31Å; Y121-L125 PolarHBondContact O-N 2.75Å
122G96.8Very high93.4Very high0 Ų068.5 Ų68.50%037%0.373CS..Hα-helixtrans-65.3-38.3175.900000113.8S118 I119 E120 L125 V126S118-G122 PolarHBondContact O-N 3.1Å; I119-G122 PolarHBondContact O-N 3.42Å; I119-G122 VanDerWaalsContact O-N 3.14Å; E120-G122 VanDerWaalsContact C-N 3.34Å; E120-G122 PolarHBondContact O-N 2.88Å; G122-L125 PolarHBondContact O-N 3.05Å; G122-V126 WeakPolarHBondContact O-CG2 3.03Å; G122-V126 PolarHBondContact O-N 3.23Å; G122-V126 VanDerWaalsContact O-N 3.08Å
123Q95.8Very high93.8Very high108 Ų10868.9 Ų68.951%0.50537%0.371SS..Hα-helixtrans-65.7-41.7174.3-72.2174.7-23.700111.3I119 E120 L125 V126 A127 F134I119-Q123 HydrophobicContact CG2-CG 4.35Å; I119-Q123 WeakPolarHBondContact O-CG 3.32Å; I119-Q123 PolarHBondContact O-N 3.12Å; E120-Q123 PolarHBondContact O-N 3.35Å; Q123-L125 PolarHBondContact O-N 3.05Å; Q123-V126 PolarHBondContact O-N 3.14Å; Q123-A127 WeakPolarHBondContact O-CB 3.22Å; Q123-A127 PolarHBondContact O-N 2.84Å; Q123-F134 HydrophobicContact CG-CD2 4.29Å; Q123-F134 HydrophobicContact CG-CE2 4.08Å
124Q97.2Very high94.3Very high91 Ų9163.6 Ų63.643%0.42535%0.348SS..Hα-helixtrans-61.1-43.3174-70.7172.6600111.7E120 Y121 V126 A127 N128E120-Q124 WeakPolarHBondContact O-CG 3.35Å; E120-Q124 PolarHBondContact O-N 3.43Å; Y121-Q124 PolarHBondContact O-N 2.97Å; Q124-V126 VanDerWaalsContact C-N 3.34Å; Q124-V126 PolarHBondContact O-N 2.93Å; Q124-A127 PolarHBondContact O-N 3.17Å; Q124-N128 WeakPolarHBondContact O-CB 3.29Å; Q124-N128 PolarHBondContact O-N 3.09Å; Q124-N128 PolarHBondContact O-ND2 3Å
125L97.3Very high95Very high30 Ų3061.6 Ų61.616%0.15733%0.332CS..Hα-helixtrans-59.7-44.5175.9-76.7177000112I88 Y121 G122 Q123 N128 N129 W132I88-L125 HydrophobicContact CD1-CD1 3.83Å; Y121-L125 HydrophobicContact CD1-CD1 4.07Å; Y121-L125 HydrophobicContact CE1-CD1 3.53Å; Y121-L125 HydrophobicContact CE1-CG 4.15Å; Y121-L125 HydrophobicContact CE2-CG 4.39Å; Y121-L125 WeakPolarHBondContact O-CG 3.31Å; Y121-L125 PolarHBondContact O-N 2.75Å; G122-L125 PolarHBondContact O-N 3.05Å; Q123-L125 PolarHBondContact O-N 3.05Å; L125-N128 PolarHBondContact O-N 3.31Å; L125-N129 WeakPolarHBondContact O-CB 3.43Å; L125-N129 PolarHBondContact O-N 2.82Å; L125-N129 PolarHBondContact O-ND2 3.47Å; L125-W132 HydrophobicContact CB-CE3 4.22Å; L125-W132 HydrophobicContact CB-CZ3 4.02Å; L125-W132 HydrophobicContact CD1-CZ3 4.39Å; L125-W132 HydrophobicContact CD2-CZ3 4.31Å; L125-W132 HydrophobicContact CG-CZ3 4.49Å
126V97.6Very high95.6Very high33 Ų3358.4 Ų58.420%0.232%0.317CS..Hα-helixtrans-66.5-40.7177.9169.20000111.6V63 G122 Q123 Q124 N128 N129 W132 F134V63-V126 HydrophobicContact CB-CG2 3.72Å; V63-V126 HydrophobicContact CG1-CG2 4.3Å; V63-V126 HydrophobicContact CG2-CG2 3.73Å; G122-V126 WeakPolarHBondContact O-CG2 3.03Å; G122-V126 PolarHBondContact O-N 3.23Å; G122-V126 VanDerWaalsContact O-N 3.08Å; Q123-V126 PolarHBondContact O-N 3.14Å; Q124-V126 VanDerWaalsContact C-N 3.34Å; Q124-V126 PolarHBondContact O-N 2.93Å; V126-N128 VanDerWaalsContact C-N 3.31Å; V126-N128 PolarHBondContact O-N 2.8Å; V126-N129 PolarHBondContact O-N 3.43Å; V126-W132 WeakPolarHBondContact CG1-O 3.3Å; V126-W132 HydrophobicContact CG2-CB 4.31Å; V126-F134 HydrophobicContact CG1-CB 4.35Å; V126-F134 HydrophobicContact CG2-CB 3.97Å; V126-F134 HydrophobicContact CG2-CD2 4.31Å
127A97.4Very high95.9Very high81 Ų8155.1 Ų55.167%0.66930%0.301SS*.Hα-helixtrans-64.4-35.3177.600000112.9Q123 Q124Q123-A127 WeakPolarHBondContact O-CB 3.22Å; Q123-A127 PolarHBondContact O-N 2.84Å; Q124-A127 PolarHBondContact O-N 3.17Å
128N97.7Very high96.1Very high122 Ų12253 Ų5365%0.65229%0.291SS*.Hα-helixtrans-88.2-9.2-175.7-68-25.2000114.2Q124 L125 V126Q124-N128 WeakPolarHBondContact O-CB 3.29Å; Q124-N128 PolarHBondContact O-N 3.09Å; Q124-N128 PolarHBondContact O-ND2 3Å; L125-N128 PolarHBondContact O-N 3.31Å; V126-N128 VanDerWaalsContact C-N 3.31Å; V126-N128 PolarHBondContact O-N 2.8Å
129N98.1Very high96.2Very high54 Ų5456.4 Ų56.429%0.28931%0.309SS..SBendtrans-127.9100.7-175.6-64.6-91.7000110.1L125 V126 W132L125-N129 WeakPolarHBondContact O-CB 3.43Å; L125-N129 PolarHBondContact O-N 2.82Å; L125-N129 PolarHBondContact O-ND2 3.47Å; V126-N129 PolarHBondContact O-N 3.43Å; N129-W132 HydrophobicContact CB-CB 4.21Å; N129-W132 HydrophobicContact CB-CD2 3.44Å; N129-W132 VanDerWaalsContact CB-CD2 3.44Å; N129-W132 HydrophobicContact CB-CE3 4.02Å; N129-W132 HydrophobicContact CB-CG 3.51Å; N129-W132 HydrophobicContact CB-CZ2 4.17Å; N129-W132 VanDerWaalsContact O-CB 3.31Å; N129-W132 WeakPolarHBondContact O-CB 3.38Å; N129-W132 PolarHBondContact O-N 3.35Å
130P96.8Very high96.5Very high115 Ų11555.5 Ų55.575%0.74731%0.305SS*.THydrogen-bonded Turntrans-51.6143.1173.7-26.835.5000111.9W132P130-W132 PolarHBondContact O-N 2.93Å
131G96.9Very high96.7Very high33 Ų3354.3 Ų54.334%0.3431%0.307SS..THydrogen-bonded Turntrans79.6-6.5-178.100000115.2E60E60-G131 PolarHBondContact N-O 3.48Å
132W98.4Very high96.8Very high49 Ų4952.5 Ų52.519%0.18630%0.301CS..EExtended strand (participates in β ladder)trans-84140.7173.7-6931.9000110.5R61 V63 L125 V126 N129 P130R61-W132 HydrophobicContact CB-CD2 3.88Å; R61-W132 HydrophobicContact CB-CG 3.83Å; R61-W132 VanDerWaalsContact CD-CZ2 3.45Å; R61-W132 HydrophobicContact CG-CD2 4.15Å; R61-W132 HydrophobicContact CG-CE3 4.39Å; R61-W132 CarbonylContact O-C 3.53Å; R61-W132 WeakPolarHBondContact O-CA 3.33Å; V63-W132 HydrophobicContact CG2-CD2 4.45Å; V63-W132 HydrophobicContact CG2-CE3 3.55Å; V63-W132 HydrophobicContact CG2-CZ3 4.1Å; L125-W132 HydrophobicContact CB-CE3 4.22Å; L125-W132 HydrophobicContact CB-CZ3 4.02Å; L125-W132 HydrophobicContact CD1-CZ3 4.39Å; L125-W132 HydrophobicContact CD2-CZ3 4.31Å; L125-W132 HydrophobicContact CG-CZ3 4.49Å; V126-W132 WeakPolarHBondContact CG1-O 3.3Å; V126-W132 HydrophobicContact CG2-CB 4.31Å; N129-W132 HydrophobicContact CB-CB 4.21Å; N129-W132 HydrophobicContact CB-CD2 3.44Å; N129-W132 VanDerWaalsContact CB-CD2 3.44Å; N129-W132 HydrophobicContact CB-CE3 4.02Å; N129-W132 HydrophobicContact CB-CG 3.51Å; N129-W132 HydrophobicContact CB-CZ2 4.17Å; N129-W132 VanDerWaalsContact O-CB 3.31Å; N129-W132 WeakPolarHBondContact O-CB 3.38Å; N129-W132 PolarHBondContact O-N 3.35Å; P130-W132 PolarHBondContact O-N 2.93Å
133I98.4Very high96.9Very high25 Ų2552.5 Ų52.513%0.12830%0.301CS..EExtended strand (participates in β ladder)trans-123.6125.7-175.5-58.1-61.6000110.3W54 C59 R61 F62 V63 I135W54-I133 HydrophobicContact CB-CG1 4.23Å; W54-I133 HydrophobicContact CB-CG2 4.33Å; W54-I133 HydrophobicContact CD2-CD1 3.77Å; W54-I133 HydrophobicContact CD2-CG1 3.94Å; W54-I133 HydrophobicContact CD2-CG2 3.9Å; W54-I133 HydrophobicContact CE3-CD1 3.4Å; W54-I133 VanDerWaalsContact CE3-CD1 3.4Å; W54-I133 HydrophobicContact CE3-CG1 3.88Å; W54-I133 HydrophobicContact CG-CB 4.47Å; W54-I133 HydrophobicContact CG-CD1 4.47Å; W54-I133 HydrophobicContact CG-CG1 4.13Å; W54-I133 HydrophobicContact CG-CG2 3.74Å; W54-I133 HydrophobicContact CH2-CD1 4.07Å; W54-I133 HydrophobicContact CZ2-CD1 4.39Å; W54-I133 HydrophobicContact CZ3-CD1 3.57Å; C59-I133 HydrophobicContact CB-CG1 3.97Å; C59-I133 WeakPolarHBondContact SG-CG1 3.41Å; R61-I133 PolarHBondContact O-N 2.77Å; F62-I133 HydrophobicContact CD1-CB 4.21Å; V63-I133 PolarHBondContact N-O 2.69Å; I133-I135 HydrophobicContact CG2-CD1 4Å
134F98Very high97Very high55 Ų5549.1 Ų49.124%0.24128%0.284CS..EExtended strand (participates in β ladder)trans-75.9127.8172.3-165.9-92.4000110.6V63 C65 I119 Q123 V126V63-F134 HydrophobicContact CG1-CD2 4.49Å; V63-F134 CarbonylContact O-C 3.49Å; V63-F134 WeakPolarHBondContact O-CA 3.49Å; C65-F134 HydrophobicContact CB-CZ 4.37Å; I119-F134 HydrophobicContact CG2-CZ 4.43Å; Q123-F134 HydrophobicContact CG-CD2 4.29Å; Q123-F134 HydrophobicContact CG-CE2 4.08Å; V126-F134 HydrophobicContact CG1-CB 4.35Å; V126-F134 HydrophobicContact CG2-CB 3.97Å; V126-F134 HydrophobicContact CG2-CD2 4.31Å
135I97.8Very high97.1Very high0 Ų048.7 Ų48.70%028%0.282CS..  trans-99.8101.5179.1-50-56.8000109.2I47 L50 F62 V63 C64 A74 I133I47-I135 HydrophobicContact CG1-CG2 4.4Å; I47-I135 HydrophobicContact CG2-CG2 3.84Å; L50-I135 HydrophobicContact CD2-CD1 3.25Å; L50-I135 HydrophobicContact CD2-CG1 4.5Å; L50-I135 HydrophobicContact CD2-CG2 4.31Å; F62-I135 HydrophobicContact CB-CD1 4.26Å; F62-I135 HydrophobicContact CB-CG1 3.92Å; F62-I135 HydrophobicContact CD1-CD1 3.51Å; F62-I135 HydrophobicContact CD1-CG1 4.15Å; F62-I135 HydrophobicContact CE1-CD1 4.16Å; F62-I135 HydrophobicContact CG-CD1 4.13Å; F62-I135 HydrophobicContact CG-CG1 4.3Å; V63-I135 PolarHBondContact O-N 3.18Å; C64-I135 HydrophobicContact CB-CB 4.08Å; A74-I135 HydrophobicContact CB-CG2 4.2Å; I133-I135 HydrophobicContact CG2-CD1 4Å
136S93.6Very high97.1Very high19 Ų1947.4 Ų47.413%0.13328%0.276CS..  trans-58.9140.5170.9-178.10000110.4F138 D139 I143S136-F138 VanDerWaalsContact C-N 3.3Å; S136-F138 PolarHBondContact O-N 3.39Å; S136-D139 PolarHBondContact OG-N 3.4Å; S136-D139 PolarHBondContact OG-O 2.88Å; S136-I143 WeakPolarHBondContact O-CD1 3.4Å
137P91.3Very high97.2Very high38 Ų3845.9 Ų45.925%0.24727%0.267CS..SBendtrans-76.6-14.3177.626.1-30.4000113.9K43 A70K43-P137 PolarHBondContact NZ-O 3.27Å; A70-P137 HydrophobicContact CB-CB 3.7Å
138F93Very high97.2Very high29 Ų2943 Ų4313%0.12724%0.24CC..SBendtrans-163.8-30.7-178.969-88.9000116S136 D140 W144 G171 L227S136-F138 VanDerWaalsContact C-N 3.3Å; S136-F138 PolarHBondContact O-N 3.39Å; F138-D140 PolarHBondContact O-N 3.22Å; F138-W144 PolarHBondContact O-NE1 3.46Å; F138-G171 VanDerWaalsContact CD2-CA 3.47Å; F138-G171 VanDerWaalsContact CD2-O 3.26Å; F138-G171 WeakPolarHBondContact CD2-O 3.22Å; F138-G171 VanDerWaalsContact CE2-CA 3.41Å; F138-G171 WeakPolarHBondContact CE2-O 3.41Å; F138-L227 HydrophobicContact CD1-CD1 4.34Å; F138-L227 HydrophobicContact CD1-CG 4.34Å; F138-L227 HydrophobicContact CE1-CD1 3.78Å; F138-L227 HydrophobicContact CE1-CG 3.94Å
139D95.7Very high97.3Very high72 Ų7238.2 Ų38.239%0.38522%0.215SC..  trans-9779.4-169.9-159.7-1.4000110.3S136 W144 S231S136-D139 PolarHBondContact OG-N 3.4Å; S136-D139 PolarHBondContact OG-O 2.88Å; D139-W144 VanDerWaalsContact OD1-CZ2 3.22Å; D139-W144 WeakPolarHBondContact OD1-CZ2 3.44Å; D139-S231 WeakPolarHBondContact OD1-CB 3.45Å; D139-S231 WeakPolarHBondContact OD2-CB 3.28Å
140D97.9Very high97.3Very high37 Ų3735.6 Ų35.620%0.19820%0.202CC..SBendtrans-157.5133.6172.9-172.8-63.7000108.5L50 F138 L142 I143 W144L50-D140 HydrophobicContact CD1-CB 3.74Å; L50-D140 WeakPolarHBondContact CD1-OD2 3.37Å; F138-D140 PolarHBondContact O-N 3.22Å; D140-L142 PolarHBondContact O-N 2.84Å; D140-L142 VanDerWaalsContact OD1-CB 3.27Å; D140-L142 WeakPolarHBondContact OD1-CB 3.14Å; D140-L142 PolarHBondContact OD1-N 3.12Å; D140-I143 HydrophobicContact CB-CB 4.23Å; D140-I143 HydrophobicContact CB-CD1 3.81Å; D140-I143 HydrophobicContact CB-CG1 3.94Å; D140-I143 WeakPolarHBondContact O-CA 3.5Å; D140-I143 WeakPolarHBondContact O-CB 3.18Å; D140-I143 PolarHBondContact O-N 2.9Å; D140-W144 PolarHBondContact O-N 3.14Å; D140-W144 VanDerWaalsContact O-N 3.14Å
141P98.3Very high97.4Very high86 Ų8630.1 Ų30.156%0.55817%0.166SC*.Hα-helixtrans-53.7-35.7177.3-27.835.8000114.7I143 W144 E145P141-I143 VanDerWaalsContact C-N 3.32Å; P141-W144 HydrophobicContact CB-CE3 4.27Å; P141-W144 HydrophobicContact CB-CZ3 4.34Å; P141-W144 HydrophobicContact CG-CE3 4.42Å; P141-W144 HydrophobicContact CG-CZ3 4.03Å; P141-W144 PolarHBondContact O-N 3.16Å; P141-E145 WeakPolarHBondContact O-CB 3.47Å; P141-E145 PolarHBondContact O-N 3.04Å
142L98.4Very high97.4Very high26 Ų2635.9 Ų35.914%0.13618%0.182CC..Hα-helixtrans-67.8-33.3175.5-63.6173.9000111.4H49 L50 T53 D140 G146H49-L142 PolarHBondContact CD2-O 2.78Å; L50-L142 HydrophobicContact CB-CB 4.03Å; L50-L142 HydrophobicContact CD1-CB 4.34Å; L50-L142 HydrophobicContact CG-CB 4.29Å; L50-L142 HydrophobicContact CG-CD1 4.34Å; T53-L142 HydrophobicContact CG2-CD1 3.82Å; T53-L142 HydrophobicContact CG2-CD2 4.17Å; D140-L142 PolarHBondContact O-N 2.84Å; D140-L142 VanDerWaalsContact OD1-CB 3.27Å; D140-L142 WeakPolarHBondContact OD1-CB 3.14Å; D140-L142 PolarHBondContact OD1-N 3.12Å; L142-G146 PolarHBondContact O-N 3.46Å
143I98.6Very high97.4Very high0 Ų034.5 Ų34.50%018%0.177CC..Hα-helixtrans-65.2-45.8174.5-70.4172.6000110G46 I47 L50 S136 D140 P141 G146 H147G46-I143 WeakPolarHBondContact CA-O 3.45Å; I47-I143 HydrophobicContact CG1-CD1 4.29Å; I47-I143 HydrophobicContact CG1-CG1 4.45Å; L50-I143 HydrophobicContact CB-CG1 4.16Å; L50-I143 HydrophobicContact CD1-CD1 3.96Å; L50-I143 HydrophobicContact CD1-CG1 3.69Å; S136-I143 WeakPolarHBondContact O-CD1 3.4Å; D140-I143 HydrophobicContact CB-CB 4.23Å; D140-I143 HydrophobicContact CB-CD1 3.81Å; D140-I143 HydrophobicContact CB-CG1 3.94Å; D140-I143 WeakPolarHBondContact O-CA 3.5Å; D140-I143 WeakPolarHBondContact O-CB 3.18Å; D140-I143 PolarHBondContact O-N 2.9Å; P141-I143 VanDerWaalsContact C-N 3.32Å; I143-G146 PolarHBondContact O-N 2.97Å; I143-H147 VanDerWaalsContact CG2-CD2 3.5Å; I143-H147 WeakPolarHBondContact CG2-CD2 3.48Å; I143-H147 WeakPolarHBondContact CG2-NE2 3.29Å; I143-H147 PolarHBondContact O-CD2 3.33Å; I143-H147 PolarHBondContact O-N 2.87Å
144W98.6Very high97.4Very high36 Ų3633.3 Ų33.314%0.13617%0.171CC..Hα-helixtrans-63.5-44.8178.7-48.2-26.2000110.9F138 D139 D140 P141 G146 H147 M148 N176 G177 Q233F138-W144 PolarHBondContact O-NE1 3.46Å; D139-W144 VanDerWaalsContact OD1-CZ2 3.22Å; D139-W144 WeakPolarHBondContact OD1-CZ2 3.44Å; D140-W144 PolarHBondContact O-N 3.14Å; D140-W144 VanDerWaalsContact O-N 3.14Å; P141-W144 HydrophobicContact CB-CE3 4.27Å; P141-W144 HydrophobicContact CB-CZ3 4.34Å; P141-W144 HydrophobicContact CG-CE3 4.42Å; P141-W144 HydrophobicContact CG-CZ3 4.03Å; P141-W144 PolarHBondContact O-N 3.16Å; W144-G146 PolarHBondContact O-N 2.82Å; W144-H147 WeakPolarHBondContact O-CB 3.29Å; W144-H147 PolarHBondContact O-N 3.3Å; W144-H147 VanDerWaalsContact O-N 3.09Å; W144-M148 WeakPolarHBondContact O-CG 3.4Å; W144-M148 PolarHBondContact O-N 3.39Å; W144-M148 VanDerWaalsContact O-N 3.12Å; W144-N176 HydrophobicContact CB-CB 4.15Å; W144-N176 HydrophobicContact CD2-CB 3.99Å; W144-N176 VanDerWaalsContact CE2-ND2 3.28Å; W144-N176 HydrophobicContact CG-CB 3.66Å; W144-N176 PolarHBondContact NE1-ND2 2.87Å; W144-G177 VanDerWaalsContact O-CA 3.3Å; W144-G177 WeakPolarHBondContact O-CA 3.39Å; W144-Q233 HydrophobicContact CD2-CG 4.4Å; W144-Q233 HydrophobicContact CE3-CB 4.46Å; W144-Q233 HydrophobicContact CE3-CG 3.88Å; W144-Q233 HydrophobicContact CH2-CB 3.27Å; W144-Q233 HydrophobicContact CH2-CG 3.61Å; W144-Q233 HydrophobicContact CZ2-CB 3.68Å; W144-Q233 HydrophobicContact CZ2-CG 4.09Å; W144-Q233 HydrophobicContact CZ3-CB 3.72Å; W144-Q233 HydrophobicContact CZ3-CG 3.48Å; W144-Q233 VanDerWaalsContact CZ3-CG 3.48Å
145E98.6Very high97.4Very high82 Ų8235.5 Ų35.538%0.38318%0.182SC..Hα-helixtrans-55.9-48.7175.4-169.1-169.8174.300111.3H49 P141 H147 M148H49-E145 IonicContact CD2-OE2 3.86Å; H49-E145 IonicContact CE1-OE1 3.73Å; H49-E145 IonicContact CE1-OE2 3.65Å; H49-E145 IonicContact NE2-OE1 3.77Å; H49-E145 IonicContact NE2-OE2 3.74Å; H49-E145 PolarHBondContact NE2-OE2 2.99Å; P141-E145 WeakPolarHBondContact O-CB 3.47Å; P141-E145 PolarHBondContact O-N 3.04Å; E145-H147 VanDerWaalsContact C-N 3.29Å; E145-H147 PolarHBondContact O-N 3.26Å; E145-M148 HydrophobicContact CB-CE 4.23Å; E145-M148 HydrophobicContact CG-CE 3.52Å; E145-M148 WeakPolarHBondContact O-CB 3.25Å; E145-M148 WeakPolarHBondContact O-CE 3.28Å; E145-M148 WeakPolarHBondContact O-CG 3.18Å; E145-M148 PolarHBondContact O-N 3.01Å; E145-M148 VanDerWaalsContact O-N 3.16Å
146G98.5Very high97.2Very high4 Ų440 Ų404%0.04121%0.214CC..Hα-helixtrans-62.5-36.2177.300000112.7L142 I143 W144 M148 S149L142-G146 PolarHBondContact O-N 3.46Å; I143-G146 PolarHBondContact O-N 2.97Å; W144-G146 PolarHBondContact O-N 2.82Å; G146-M148 VanDerWaalsContact C-N 3.3Å; G146-M148 PolarHBondContact O-N 2.64Å; G146-S149 WeakPolarHBondContact O-CB 3.28Å; G146-S149 PolarHBondContact O-N 3.49Å; G146-S149 PolarHBondContact O-OG 3.47Å
147H98.8Very high97.4Very high1 Ų143 Ų431%0.00523%0.226CC..Hα-helixtrans-67.6-23.9176.4-72.4-36.7000114F42 G46 I143 W144 E145 S149 L150 G173F42-H147 AromaticContact CD2-CE1 3.31Å; F42-H147 WeakPolarHBondContact CD2-CE1 3.41Å; F42-H147 AromaticContact CD2-ND1 3.62Å; F42-H147 AromaticContact CD2-NE2 3.88Å; F42-H147 AromaticContact CE2-CE1 3.43Å; F42-H147 VanDerWaalsContact CE2-CE1 3.43Å; F42-H147 WeakPolarHBondContact CE2-CE1 3.38Å; F42-H147 AromaticContact CE2-NE2 3.5Å; F42-H147 PolarHBondContact O-CE1 3.04Å; G46-H147 PolarHBondContact N-CE1 3.37Å; G46-H147 VanDerWaalsContact N-CE1 3.3Å; G46-H147 PolarHBondContact N-ND1 3.25Å; I143-H147 VanDerWaalsContact CG2-CD2 3.5Å; I143-H147 WeakPolarHBondContact CG2-CD2 3.48Å; I143-H147 WeakPolarHBondContact CG2-NE2 3.29Å; I143-H147 PolarHBondContact O-CD2 3.33Å; I143-H147 PolarHBondContact O-N 2.87Å; W144-H147 WeakPolarHBondContact O-CB 3.29Å; W144-H147 PolarHBondContact O-N 3.3Å; W144-H147 VanDerWaalsContact O-N 3.09Å; E145-H147 VanDerWaalsContact C-N 3.29Å; E145-H147 PolarHBondContact O-N 3.26Å; H147-S149 PolarHBondContact O-N 3.34Å; H147-S149 VanDerWaalsContact O-N 3.12Å; H147-L150 WeakPolarHBondContact O-CB 3.48Å; H147-L150 PolarHBondContact O-N 2.92Å; H147-L150 VanDerWaalsContact O-N 3.12Å; H147-G173 PolarHBondContact CD2-O 2.98Å
148M98.4Very high97.6Very high21 Ų2142.2 Ų42.210%0.10322%0.219CC..THydrogen-bonded Turntrans-59.7-23.5174.2-53.4177.9-40.900112.9W144 E145 G146 L150 V151 K152 G177 E180 R184W144-M148 WeakPolarHBondContact O-CG 3.4Å; W144-M148 PolarHBondContact O-N 3.39Å; W144-M148 VanDerWaalsContact O-N 3.12Å; E145-M148 HydrophobicContact CB-CE 4.23Å; E145-M148 HydrophobicContact CG-CE 3.52Å; E145-M148 WeakPolarHBondContact O-CB 3.25Å; E145-M148 WeakPolarHBondContact O-CE 3.28Å; E145-M148 WeakPolarHBondContact O-CG 3.18Å; E145-M148 PolarHBondContact O-N 3.01Å; E145-M148 VanDerWaalsContact O-N 3.16Å; G146-M148 VanDerWaalsContact C-N 3.3Å; G146-M148 PolarHBondContact O-N 2.64Å; M148-L150 PolarHBondContact O-N 3.39Å; M148-L150 VanDerWaalsContact O-N 3.11Å; M148-V151 PolarHBondContact O-N 3.01Å; M148-K152 PolarHBondContact O-N 3.36Å; M148-K152 VanDerWaalsContact O-N 3.13Å; M148-G177 WeakPolarHBondContact CA-O 3.46Å; M148-E180 HydrophobicContact CG-CB 4.3Å; M148-E180 HydrophobicContact CG-CG 4.24Å; M148-E180 HydrophobicContact SD-CB 4.19Å; M148-E180 HydrophobicContact SD-CG 3.49Å; M148-E180 WeakPolarHBondContact SD-CG 3.32Å; M148-R184 VanDerWaalsContact CE-CZ 3.42Å; M148-R184 VanDerWaalsContact SD-CZ 3.52Å; M148-R184 PolarHBondContact SD-NE 2.93Å; M148-R184 VanDerWaalsContact SD-NE 3.4Å
149S98.5Very high97.6Very high20 Ų2050.6 Ų50.614%0.1426%0.259CS..Hα-helixtrans-53.2-30.5175.359.30000113H10 R45 G146 H147 K152 E153H10-S149 PolarHBondContact CE1-OG 3.44Å; H10-S149 WeakPolarHBondContact NE2-CB 3.33Å; H10-S149 PolarHBondContact NE2-OG 3.27Å; R45-S149 PolarHBondContact NH1-OG 3.43Å; G146-S149 WeakPolarHBondContact O-CB 3.28Å; G146-S149 PolarHBondContact O-N 3.49Å; G146-S149 PolarHBondContact O-OG 3.47Å; H147-S149 PolarHBondContact O-N 3.34Å; H147-S149 VanDerWaalsContact O-N 3.12Å; S149-K152 PolarHBondContact O-N 3.19Å; S149-E153 WeakPolarHBondContact O-CG 3.28Å; S149-E153 PolarHBondContact O-N 2.85Å
150L98.7Very high97.4Very high0 Ų053.1 Ų53.10%027%0.268CS..Hα-helixtrans-59.5-50.4176.3-174.4156.9000110.8K32 H147 M148 K152 E153 L154 M165 L174 V303K32-L150 HydrophobicContact CG-CD1 4.27Å; K32-L150 HydrophobicContact CG-CD2 4.24Å; K32-L150 HydrophobicContact CG-CG 4Å; H147-L150 WeakPolarHBondContact O-CB 3.48Å; H147-L150 PolarHBondContact O-N 2.92Å; H147-L150 VanDerWaalsContact O-N 3.12Å; M148-L150 PolarHBondContact O-N 3.39Å; M148-L150 VanDerWaalsContact O-N 3.11Å; L150-K152 VanDerWaalsContact C-N 3.35Å; L150-E153 WeakPolarHBondContact O-CB 3.31Å; L150-E153 PolarHBondContact O-N 2.92Å; L150-L154 HydrophobicContact CD2-CD1 3.73Å; L150-L154 HydrophobicContact CD2-CG 4.19Å; L150-L154 WeakPolarHBondContact O-CG 3.22Å; L150-L154 PolarHBondContact O-N 3.37Å; L150-M165 HydrophobicContact CD2-CE 4.2Å; L150-L174 HydrophobicContact CD1-CD1 4.41Å; L150-V303 HydrophobicContact CD1-CB 4.41Å; L150-V303 HydrophobicContact CD1-CG1 3.65Å; L150-V303 HydrophobicContact CD1-CG2 3.86Å; L150-V303 HydrophobicContact CD2-CG2 4.15Å
151V98.7Very high97.3Very high0 Ų054.7 Ų54.70%027%0.274CS..Hα-helixtrans-70-35.4-178.9-177.70000111.2M148 E153 L154 E155 V178 L182 A185 W187M148-V151 PolarHBondContact O-N 3.01Å; V151-E153 PolarHBondContact O-N 2.95Å; V151-L154 WeakPolarHBondContact O-CB 3.39Å; V151-L154 PolarHBondContact O-N 3.2Å; V151-L154 VanDerWaalsContact O-N 3.08Å; V151-E155 PolarHBondContact O-N 3.23Å; V151-V178 HydrophobicContact CG2-CB 4.46Å; V151-V178 HydrophobicContact CG2-CG1 4.22Å; V151-L182 HydrophobicContact CG1-CD2 4.04Å; V151-L182 HydrophobicContact CG1-CG 4.47Å; V151-L182 HydrophobicContact CG2-CG 4.4Å; V151-A185 HydrophobicContact CG1-CB 4.25Å; V151-W187 HydrophobicContact CG1-CE3 4.23Å; V151-W187 HydrophobicContact CG1-CZ3 4.3Å
152K98Very high97.3Very high154 Ų15450.8 Ų50.867%0.6725%0.248SC*.Hα-helixtrans-59-37.1173.5-176.6174.5-179.1172.60112.4M148 S149 L150 S156M148-K152 PolarHBondContact O-N 3.36Å; M148-K152 VanDerWaalsContact O-N 3.13Å; S149-K152 PolarHBondContact O-N 3.19Å; L150-K152 VanDerWaalsContact C-N 3.35Å; K152-S156 PolarHBondContact O-N 2.93Å
153E98.4Very high97.3Very high20 Ų2050.3 Ų50.39%0.09325%0.249CC..Hα-helixtrans-67.3-44.3173.5-69.9166-158.100111H10 A12 T13 K32 R45 S149 L150 V151 E155 S156 E157H10-E153 IonicContact CD2-OE1 2.74Å; H10-E153 IonicContact NE2-OE1 3.69Å; A12-E153 WeakPolarHBondContact CA-OE1 3.12Å; A12-E153 WeakPolarHBondContact CA-OE2 3.42Å; A12-E153 HydrophobicContact CB-CG 4.28Å; T13-E153 PolarHBondContact N-OE2 2.97Å; K32-E153 WeakPolarHBondContact CE-OE2 3.18Å; K32-E153 IonicContact NZ-OE2 2.59Å; K32-E153 PolarHBondContact NZ-OE2 2.8Å; R45-E153 IonicContact CZ-OE1 2.75Å; R45-E153 IonicContact CZ-OE2 3.92Å; R45-E153 VanDerWaalsContact NH1-CD 3.34Å; R45-E153 IonicContact NH1-OE1 2.84Å; R45-E153 PolarHBondContact NH1-OE1 2.81Å; R45-E153 IonicContact NH1-OE2 3.13Å; R45-E153 IonicContact NH2-OE1 3.39Å; R45-E153 PolarHBondContact NH2-OE1 2.67Å; R45-E153 IonicContact NH2-OE2 3.44Å; R45-E153 PolarHBondContact NH2-OE2 2.84Å; S149-E153 WeakPolarHBondContact O-CG 3.28Å; S149-E153 PolarHBondContact O-N 2.85Å; L150-E153 WeakPolarHBondContact O-CB 3.31Å; L150-E153 PolarHBondContact O-N 2.92Å; V151-E153 PolarHBondContact O-N 2.95Å; E153-E155 VanDerWaalsContact C-N 3.31Å; E153-E155 PolarHBondContact O-N 3.13Å; E153-S156 PolarHBondContact O-N 2.88Å; E153-S156 PolarHBondContact O-OG 3.02Å; E153-E157 WeakPolarHBondContact O-CB 3.2Å; E153-E157 VanDerWaalsContact O-CG 3.28Å; E153-E157 WeakPolarHBondContact O-CG 3.45Å; E153-E157 PolarHBondContact O-N 3.18Å
154L98.3Very high97.3Very high0 Ų050.3 Ų50.30%025%0.249CC..Hα-helixtrans-58.3-41.5176.8-61.7178.4000112.6L15 K32 L150 V151 S156 E157 L158 M165 W187 V301L15-L154 HydrophobicContact CD1-CD2 3.57Å; L15-L154 HydrophobicContact CD2-CD2 3.84Å; L15-L154 HydrophobicContact CG-CD2 4.26Å; K32-L154 HydrophobicContact CB-CD2 4.4Å; K32-L154 HydrophobicContact CD-CD2 3.97Å; K32-L154 HydrophobicContact CG-CD2 4.29Å; L150-L154 HydrophobicContact CD2-CD1 3.73Å; L150-L154 HydrophobicContact CD2-CG 4.19Å; L150-L154 WeakPolarHBondContact O-CG 3.22Å; L150-L154 PolarHBondContact O-N 3.37Å; V151-L154 WeakPolarHBondContact O-CB 3.39Å; V151-L154 PolarHBondContact O-N 3.2Å; V151-L154 VanDerWaalsContact O-N 3.08Å; L154-S156 PolarHBondContact O-N 3.35Å; L154-E157 PolarHBondContact O-N 3.08Å; L154-E157 VanDerWaalsContact O-N 3.15Å; L154-L158 HydrophobicContact CB-CD1 4.08Å; L154-L158 WeakPolarHBondContact O-CB 3.5Å; L154-L158 PolarHBondContact O-N 3.38Å; L154-M165 HydrophobicContact CD1-CE 3.67Å; L154-M165 HydrophobicContact CD1-SD 3.75Å; L154-W187 HydrophobicContact CB-CH2 4.41Å; L154-W187 HydrophobicContact CB-CZ3 4.16Å; L154-V301 HydrophobicContact CD1-CG1 3.92Å; L154-V301 HydrophobicContact CD2-CG1 3.97Å
155E96.9Very high97.3Very high100 Ų10048.6 Ų48.647%0.46724%0.243SC..Hα-helixtrans-57.5-33.7175.8-175.5-178.2-133.500112.3V151 E153 W187V151-E155 PolarHBondContact O-N 3.23Å; E153-E155 VanDerWaalsContact C-N 3.31Å; E153-E155 PolarHBondContact O-N 3.13Å; E155-W187 HydrophobicContact CB-CH2 4.18Å; E155-W187 HydrophobicContact CB-CZ2 4.31Å; E155-W187 HydrophobicContact CG-CZ2 4.41Å
156S95Very high97.3Very high96 Ų9644.7 Ų44.767%0.67123%0.225SC*.Hα-helixtrans-86.3-20.3178.166.70000114.7K152 E153 L154K152-S156 PolarHBondContact O-N 2.93Å; E153-S156 PolarHBondContact O-N 2.88Å; E153-S156 PolarHBondContact O-OG 3.02Å; L154-S156 PolarHBondContact O-N 3.35Å
157E96.3Very high97.3Very high80 Ų8044.5 Ų44.537%0.37422%0.223SC..Hα-helixtrans-103.4-31.5-171.5-70174.7143.200113.1L15 K32 E153 L154L15-E157 HydrophobicContact CB-CB 4.39Å; L15-E157 HydrophobicContact CD2-CB 3.8Å; K32-E157 IonicContact NZ-OE1 2.77Å; K32-E157 IonicContact NZ-OE2 3.55Å; K32-E157 PolarHBondContact NZ-OE2 3.46Å; E153-E157 WeakPolarHBondContact O-CB 3.2Å; E153-E157 VanDerWaalsContact O-CG 3.28Å; E153-E157 WeakPolarHBondContact O-CG 3.45Å; E153-E157 PolarHBondContact O-N 3.18Å; L154-E157 PolarHBondContact O-N 3.08Å; L154-E157 VanDerWaalsContact O-N 3.15Å
158L95.9Very high97.3Very high22 Ų2244.9 Ų44.912%0.11523%0.225CC..  trans-82.9139.5179.9-72171.7000111.5L15 Y30 L154 E160 P162 W187 V301L15-L158 HydrophobicContact CD2-CD2 3.6Å; L15-L158 HydrophobicContact CD2-CG 3.71Å; Y30-L158 HydrophobicContact CD1-CD2 4.42Å; Y30-L158 HydrophobicContact CD2-CD2 4.49Å; Y30-L158 HydrophobicContact CG-CD2 4.38Å; L154-L158 HydrophobicContact CB-CD1 4.08Å; L154-L158 WeakPolarHBondContact O-CB 3.5Å; L154-L158 PolarHBondContact O-N 3.38Å; L158-E160 WeakPolarHBondContact CB-O 3.14Å; L158-P162 HydrophobicContact CD1-CB 4.25Å; L158-P162 HydrophobicContact CD1-CG 4.15Å; L158-W187 HydrophobicContact CD1-CH2 4.12Å; L158-W187 HydrophobicContact CD1-CZ3 4.34Å; L158-V301 HydrophobicContact CD1-CG2 4.05Å
159Q92.3Very high97.3Very high206 Ų20643.9 Ų43.996%0.96322%0.221SC*.SBendtrans-75.8-28.5173.2-65.3-175.1-13.600112.4
160E93.1Very high97.2Very high124 Ų12443.5 Ų43.558%0.57922%0.22SC*.SBendtrans-138.7156.9177.865.9-177.7162.700110.5L158 P299L158-E160 WeakPolarHBondContact CB-O 3.14Å; E160-P299 HydrophobicContact CG-CG 3.94Å; E160-P299 VanDerWaalsContact OE1-CD 3.26Å; E160-P299 WeakPolarHBondContact OE1-CD 3.19Å
161K95.2Very high97Very high71 Ų7143.7 Ų43.731%0.30922%0.221SC..  trans-60.2139176.9171.4-174.6156.4-145.50110.5W187 D189 V190K161-W187 HydrophobicContact CB-CD2 4.37Å; K161-W187 HydrophobicContact CB-CZ2 4.41Å; K161-W187 HydrophobicContact CD-CB 4.25Å; K161-W187 HydrophobicContact CD-CD2 4.48Å; K161-W187 HydrophobicContact CD-CG 3.87Å; K161-W187 HydrophobicContact CG-CB 4.36Å; K161-W187 HydrophobicContact CG-CD2 3.84Å; K161-W187 HydrophobicContact CG-CE3 4.49Å; K161-W187 HydrophobicContact CG-CG 3.74Å; K161-D189 WeakPolarHBondContact CE-OD1 3.49Å; K161-D189 IonicContact NZ-OD1 2.74Å; K161-D189 PolarHBondContact NZ-OD1 2.82Å; K161-D189 IonicContact NZ-OD2 2.61Å; K161-D189 PolarHBondContact NZ-OD2 2.86Å; K161-V190 HydrophobicContact CD-CG2 3.98Å; K161-V190 HydrophobicContact CG-CG2 3.73Å
162P97.9Very high97Very high3 Ų343.8 Ų43.82%0.01922%0.223CC..  trans-67.2146.7-179.528.2-34.1000112.2L158 M165 W187 V190 P299 V301L158-P162 HydrophobicContact CD1-CB 4.25Å; L158-P162 HydrophobicContact CD1-CG 4.15Å; P162-M165 HydrophobicContact CG-SD 4.2Å; P162-W187 VanDerWaalsContact CD-CZ3 3.41Å; P162-W187 HydrophobicContact CG-CE3 4Å; P162-W187 HydrophobicContact CG-CZ3 3.93Å; P162-V190 HydrophobicContact CG-CG1 4.18Å; P162-V190 HydrophobicContact CG-CG2 4.25Å; P162-V190 WeakPolarHBondContact O-CG2 3.35Å; P162-P299 CarbonylContact C-O 3.46Å; P162-P299 VanDerWaalsContact CA-O 3.23Å; P162-P299 WeakPolarHBondContact CA-O 3.33Å; P162-P299 VanDerWaalsContact CB-O 3.29Å; P162-P299 WeakPolarHBondContact CB-O 3.34Å; P162-V301 HydrophobicContact CB-CG2 3.82Å
163G98.3Very high97Very high16 Ų1636.6 Ų36.617%0.16519%0.192CC..SBendtrans-73-29173.800000112.8P191 L297 P299G163-P191 VanDerWaalsContact O-CD 3.23Å; G163-P191 WeakPolarHBondContact O-CD 3.48Å; G163-P191 WeakPolarHBondContact O-CG 3.44Å; G163-L297 WeakPolarHBondContact O-CD1 3.4Å; G163-P299 PolarHBondContact N-O 3.38Å
164A98.8Very high97Very high0 Ų036 Ų360%019%0.19CC..EExtended strand (participates in β ladder)trans-158.5152.7172.900000111.7P191 I193 L297 V300 V301A164-P191 WeakPolarHBondContact CA-O 3.17Å; A164-P191 HydrophobicContact CB-CG 4.05Å; A164-I193 HydrophobicContact CB-CD1 4.3Å; A164-L297 HydrophobicContact CB-CD2 4.38Å; A164-V300 HydrophobicContact CB-CG2 4.4Å; A164-V301 PolarHBondContact O-N 2.95Å
165M98.8Very high97Very high0 Ų036 Ų360%019%0.19CC..EExtended strand (participates in β ladder)trans-103.9133.2166.9-70.4-60.8-56.100109.9L150 L154 P162 V178 L182 V190 P191 V192 I193 V301 V303L150-M165 HydrophobicContact CD2-CE 4.2Å; L154-M165 HydrophobicContact CD1-CE 3.67Å; L154-M165 HydrophobicContact CD1-SD 3.75Å; P162-M165 HydrophobicContact CG-SD 4.2Å; M165-V178 HydrophobicContact CB-CG1 4.31Å; M165-V178 HydrophobicContact CE-CG1 4.27Å; M165-V178 HydrophobicContact CG-CG1 4.19Å; M165-L182 HydrophobicContact CG-CD1 4.02Å; M165-L182 HydrophobicContact CG-CD2 4.01Å; M165-L182 HydrophobicContact CG-CG 4.47Å; M165-V190 HydrophobicContact CG-CG1 3.93Å; M165-P191 PolarHBondContact N-O 3.33Å; M165-V192 HydrophobicContact CB-CG2 4.3Å; M165-V192 CarbonylContact O-C 3.55Å; M165-V192 WeakPolarHBondContact O-CA 3.42Å; M165-I193 PolarHBondContact O-N 2.84Å; M165-V301 CarbonylContact C-O 3.6Å; M165-V301 WeakPolarHBondContact CA-O 3.31Å; M165-V301 HydrophobicContact CE-CB 4.1Å; M165-V301 HydrophobicContact CE-CG1 3.85Å; M165-V301 HydrophobicContact SD-CB 3.66Å; M165-V301 HydrophobicContact SD-CG1 4.02Å; M165-V301 HydrophobicContact SD-CG2 4.35Å; M165-V303 HydrophobicContact CE-CG2 3.85Å
166V98.9Very high97.1Very high0 Ų031.3 Ų31.30%017%0.168CC..EExtended strand (participates in β ladder)trans-114.6130.1174.1-173.80000109.6I193 M195 A275 A278 I284 V300 V301 I302 V303V166-I193 HydrophobicContact CG2-CB 4.2Å; V166-I193 HydrophobicContact CG2-CD1 4.03Å; V166-I193 HydrophobicContact CG2-CG1 4.4Å; V166-M195 HydrophobicContact CG1-CG 3.97Å; V166-A275 HydrophobicContact CG1-CB 4.4Å; V166-A275 VanDerWaalsContact CG1-O 3.29Å; V166-A275 WeakPolarHBondContact CG1-O 3.35Å; V166-A278 HydrophobicContact CG1-CB 3.5Å; V166-A278 VanDerWaalsContact CG1-CB 3.5Å; V166-A278 HydrophobicContact CG2-CB 4.29Å; V166-I284 HydrophobicContact CG2-CD1 4.49Å; V166-V300 HydrophobicContact CG2-CG1 3.58Å; V166-V301 PolarHBondContact N-O 2.76Å; V166-I302 HydrophobicContact CB-CB 4.34Å; V166-I302 HydrophobicContact CB-CG1 4.06Å; V166-I302 HydrophobicContact CB-CG2 4.24Å; V166-I302 HydrophobicContact CG1-CG2 4.33Å; V166-I302 HydrophobicContact CG2-CG1 4.23Å; V166-V303 PolarHBondContact O-N 3.43Å
167L98.9Very high97.3Very high0 Ų026.8 Ų26.80%014%0.136CC..EExtended strand (participates in β ladder)trans-150.5157.8177.16088.7000110.4V169 L174 M175 V178 V192 I193 M195 V303L167-V169 HydrophobicContact CD1-CG2 3.58Å; L167-L174 HydrophobicContact CB-CD2 3.91Å; L167-L174 HydrophobicContact CB-CG 4.32Å; L167-L174 HydrophobicContact CD2-CG 4.36Å; L167-M175 HydrophobicContact CD1-CB 3.87Å; L167-M175 HydrophobicContact CD1-CG 4.21Å; L167-M175 HydrophobicContact CD2-CB 4.5Å; L167-V178 HydrophobicContact CD2-CB 3.81Å; L167-V178 HydrophobicContact CD2-CG1 3.92Å; L167-V178 HydrophobicContact CD2-CG2 3.84Å; L167-V192 HydrophobicContact CD2-CG1 3.77Å; L167-V192 HydrophobicContact CG-CG1 3.98Å; L167-I193 PolarHBondContact N-O 3.43Å; L167-I193 VanDerWaalsContact N-O 3.12Å; L167-M195 PolarHBondContact O-N 3.42Å; L167-V303 HydrophobicContact CB-CB 4.27Å; L167-V303 HydrophobicContact CB-CG2 4.31Å
168S98.6Very high97.4Very high9 Ų923 Ų236%0.06312%0.118CC..EExtended strand (participates in β ladder)trans-94.7149.3170.857.70000112.5M195 A271S168-M195 CarbonylContact C-O 3.57Å; S168-M195 WeakPolarHBondContact CA-O 3.39Å; S168-A271 WeakPolarHBondContact CB-O 3.42Å; S168-A271 PolarHBondContact OG-O 3.16Å
169V98.6Very high97.6Very high1 Ų121.9 Ų21.91%0.00611%0.113CC..  trans-115.4117.4-175.1179.50000111L167 M175 A194 M195 E196 L203 L225 V230L167-V169 HydrophobicContact CD1-CG2 3.58Å; V169-M175 HydrophobicContact CG2-CB 4.33Å; V169-M175 HydrophobicContact CG2-SD 4.24Å; V169-A194 HydrophobicContact CG2-CB 3.75Å; V169-M195 PolarHBondContact N-O 3.12Å; V169-E196 HydrophobicContact CB-CG 3.95Å; V169-L203 HydrophobicContact CB-CD2 4.21Å; V169-L203 HydrophobicContact CG1-CB 3.91Å; V169-L203 HydrophobicContact CG1-CD2 3.95Å; V169-L203 HydrophobicContact CG2-CD2 3.88Å; V169-L225 WeakPolarHBondContact O-CD2 3.4Å; V169-V230 HydrophobicContact CG1-CG1 4.31Å
170G96.1Very high97.9Very high12 Ų1214.9 Ų14.912%0.1248%0.08CC..SBendtrans-93.1-106.1159.700000109.6G172G170-G172 VanDerWaalsContact C-N 3.25Å; G170-G172 PolarHBondContact O-N 2.92Å
171G94.6Very high98.1Very high3 Ų39.2 Ų9.23%0.0315%0.054CC..SBendtrans-76.6-8.4172.700000115.1F138 S231 T234F138-G171 VanDerWaalsContact CD2-CA 3.47Å; F138-G171 VanDerWaalsContact CD2-O 3.26Å; F138-G171 WeakPolarHBondContact CD2-O 3.22Å; F138-G171 VanDerWaalsContact CE2-CA 3.41Å; F138-G171 WeakPolarHBondContact CE2-O 3.41Å; G171-S231 PolarHBondContact O-N 3.4Å; G171-T234 PolarHBondContact O-OG1 3.18Å
172G97.7Very high98.3Very high3 Ų35.8 Ų5.83%0.0314%0.04CC..SBendtrans96.72.117600000116.8G170 L174 M175 N176 T234G170-G172 VanDerWaalsContact C-N 3.25Å; G170-G172 PolarHBondContact O-N 2.92Å; G172-L174 VanDerWaalsContact C-N 3.28Å; G172-L174 PolarHBondContact O-N 3.3Å; G172-M175 WeakPolarHBondContact O-CB 3.22Å; G172-M175 PolarHBondContact O-N 2.83Å; G172-N176 PolarHBondContact O-N 3.46Å; G172-N176 PolarHBondContact O-OD1 2.82Å; G172-T234 WeakPolarHBondContact CA-OG1 3.13Å
173G98.4Very high98.3Very high3 Ų38.6 Ų8.63%0.0315%0.05CC..Hα-helixtrans-56.8-36.5178.300000114.6H147 G177H147-G173 PolarHBondContact CD2-O 2.98Å; G173-G177 PolarHBondContact O-N 3.32Å; G173-G177 VanDerWaalsContact O-N 3.16Å
174L98.8Very high98.3Very high8 Ų815.5 Ų15.54%0.0427%0.071CC..Hα-helixtrans-64-50172.5-179.953000111.4F42 L150 L167 G172 N176 G177 V178 V303 C305F42-L174 HydrophobicContact CD1-CD2 4.42Å; F42-L174 HydrophobicContact CD2-CB 4.2Å; F42-L174 HydrophobicContact CD2-CD1 3.65Å; F42-L174 HydrophobicContact CD2-CD2 4.32Å; F42-L174 HydrophobicContact CD2-CG 4.25Å; F42-L174 HydrophobicContact CE1-CD2 4.24Å; F42-L174 HydrophobicContact CE2-CB 3.5Å; F42-L174 VanDerWaalsContact CE2-CB 3.5Å; F42-L174 HydrophobicContact CE2-CD1 3.88Å; F42-L174 HydrophobicContact CE2-CD2 4.18Å; F42-L174 HydrophobicContact CE2-CG 4.03Å; F42-L174 HydrophobicContact CG-CD1 4.25Å; F42-L174 HydrophobicContact CG-CD2 4.43Å; F42-L174 HydrophobicContact CZ-CB 3.74Å; F42-L174 HydrophobicContact CZ-CD2 4.1Å; F42-L174 HydrophobicContact CZ-CG 4.36Å; L150-L174 HydrophobicContact CD1-CD1 4.41Å; L167-L174 HydrophobicContact CB-CD2 3.91Å; L167-L174 HydrophobicContact CB-CG 4.32Å; L167-L174 HydrophobicContact CD2-CG 4.36Å; G172-L174 VanDerWaalsContact C-N 3.28Å; G172-L174 PolarHBondContact O-N 3.3Å; L174-N176 VanDerWaalsContact C-N 3.3Å; L174-N176 PolarHBondContact O-N 2.94Å; L174-G177 PolarHBondContact O-N 3.4Å; L174-V178 HydrophobicContact CD1-CG2 3.89Å; L174-V178 HydrophobicContact CG-CG2 4.39Å; L174-V178 WeakPolarHBondContact O-CG2 3.35Å; L174-V178 PolarHBondContact O-N 3.44Å; L174-V303 HydrophobicContact CD1-CG1 4.36Å; L174-V303 HydrophobicContact CD2-CG1 4.02Å; L174-C305 HydrophobicContact CD2-CB 4.48Å
175M98.8Very high98.2Very high0 Ų016.2 Ų16.20%08%0.077CC..Hα-helixtrans-58.3-44.4179.6-167.8-174.891.700111L167 V169 G172 G177 V178 V179 V192 A194 L203 T234 L237 A238 V243L167-M175 HydrophobicContact CD1-CB 3.87Å; L167-M175 HydrophobicContact CD1-CG 4.21Å; L167-M175 HydrophobicContact CD2-CB 4.5Å; V169-M175 HydrophobicContact CG2-CB 4.33Å; V169-M175 HydrophobicContact CG2-SD 4.24Å; G172-M175 WeakPolarHBondContact O-CB 3.22Å; G172-M175 PolarHBondContact O-N 2.83Å; M175-G177 PolarHBondContact O-N 2.92Å; M175-V178 PolarHBondContact O-N 3.42Å; M175-V179 HydrophobicContact CG-CG2 4.3Å; M175-V179 WeakPolarHBondContact O-CB 3.36Å; M175-V179 WeakPolarHBondContact O-CG2 3.46Å; M175-V179 PolarHBondContact O-N 2.94Å; M175-V192 HydrophobicContact CG-CG1 4.37Å; M175-A194 HydrophobicContact SD-CB 4.22Å; M175-L203 HydrophobicContact CE-CD2 4.5Å; M175-L203 HydrophobicContact SD-CD2 3.69Å; M175-T234 HydrophobicContact CE-CG2 3.34Å; M175-T234 VanDerWaalsContact CE-O 3.25Å; M175-T234 WeakPolarHBondContact CE-O 3.37Å; M175-T234 HydrophobicContact SD-CG2 4.12Å; M175-L237 HydrophobicContact CE-CB 4.49Å; M175-A238 HydrophobicContact CE-CB 4.24Å; M175-V243 HydrophobicContact SD-CG1 4.15Å
176N98.8Very high98.2Very high1 Ų118.5 Ų18.51%0.00510%0.1CC..Hα-helixtrans-59.9-47.6178.9-63.8-7.4000111.6W144 G172 L174 E180 S231 T234 L237W144-N176 HydrophobicContact CB-CB 4.15Å; W144-N176 HydrophobicContact CD2-CB 3.99Å; W144-N176 VanDerWaalsContact CE2-ND2 3.28Å; W144-N176 HydrophobicContact CG-CB 3.66Å; W144-N176 PolarHBondContact NE1-ND2 2.87Å; G172-N176 PolarHBondContact O-N 3.46Å; G172-N176 PolarHBondContact O-OD1 2.82Å; L174-N176 VanDerWaalsContact C-N 3.3Å; L174-N176 PolarHBondContact O-N 2.94Å; N176-E180 VanDerWaalsContact O-CB 3.31Å; N176-E180 WeakPolarHBondContact O-CB 3.46Å; N176-E180 PolarHBondContact O-N 2.9Å; N176-S231 PolarHBondContact ND2-OG 3.32Å; N176-T234 WeakPolarHBondContact OD1-CA 3.26Å; N176-T234 PolarHBondContact OD1-N 3.19Å; N176-T234 PolarHBondContact OD1-OG1 3.35Å; N176-L237 HydrophobicContact CB-CD1 3.92Å
177G98.8Very high98.1Very high0 Ų020 Ų200%011%0.106CC..Hα-helixtrans-66.9-36.2177.700000113.6W144 M148 G173 L174 M175 G181W144-G177 VanDerWaalsContact O-CA 3.3Å; W144-G177 WeakPolarHBondContact O-CA 3.39Å; M148-G177 WeakPolarHBondContact CA-O 3.46Å; G173-G177 PolarHBondContact O-N 3.32Å; G173-G177 VanDerWaalsContact O-N 3.16Å; L174-G177 PolarHBondContact O-N 3.4Å; M175-G177 PolarHBondContact O-N 2.92Å; G177-G181 PolarHBondContact O-N 2.71Å
178V98.9Very high98Very high0 Ų024 Ų240%013%0.128CC..Hα-helixtrans-68.5-50.5175.9169.50000110.7V151 M165 L167 L174 M175 E180 G181 L182 V192V151-V178 HydrophobicContact CG2-CB 4.46Å; V151-V178 HydrophobicContact CG2-CG1 4.22Å; M165-V178 HydrophobicContact CB-CG1 4.31Å; M165-V178 HydrophobicContact CE-CG1 4.27Å; M165-V178 HydrophobicContact CG-CG1 4.19Å; L167-V178 HydrophobicContact CD2-CB 3.81Å; L167-V178 HydrophobicContact CD2-CG1 3.92Å; L167-V178 HydrophobicContact CD2-CG2 3.84Å; L174-V178 HydrophobicContact CD1-CG2 3.89Å; L174-V178 HydrophobicContact CG-CG2 4.39Å; L174-V178 WeakPolarHBondContact O-CG2 3.35Å; L174-V178 PolarHBondContact O-N 3.44Å; M175-V178 PolarHBondContact O-N 3.42Å; V178-E180 PolarHBondContact O-N 3.12Å; V178-G181 CarbonylContact O-C 3.28Å; V178-G181 PolarHBondContact O-N 3.38Å; V178-L182 HydrophobicContact CG1-CD1 4.01Å; V178-L182 HydrophobicContact CG1-CG 4.23Å; V178-L182 WeakPolarHBondContact O-CB 3.38Å; V178-L182 VanDerWaalsContact O-CG 3.26Å; V178-L182 WeakPolarHBondContact O-CG 3.42Å; V178-L182 PolarHBondContact O-N 3Å; V178-V192 HydrophobicContact CG1-CG2 4.5Å
179V98.8Very high98Very high0 Ų028.6 Ų28.60%015%0.151CC..Hα-helixtrans-58.6-47.5178.9168.50000110.9M175 G181 L182 R183 V192 L237 H241M175-V179 HydrophobicContact CG-CG2 4.3Å; M175-V179 WeakPolarHBondContact O-CB 3.36Å; M175-V179 WeakPolarHBondContact O-CG2 3.46Å; M175-V179 PolarHBondContact O-N 2.94Å; V179-G181 VanDerWaalsContact C-N 3.34Å; V179-G181 PolarHBondContact O-N 3.41Å; V179-L182 WeakPolarHBondContact O-CB 3.16Å; V179-L182 PolarHBondContact O-N 3.46Å; V179-R183 WeakPolarHBondContact O-CG 3.36Å; V179-R183 PolarHBondContact O-N 3.19Å; V179-V192 HydrophobicContact CG2-CG2 3.99Å; V179-L237 HydrophobicContact CB-CD1 4.27Å; V179-L237 HydrophobicContact CG1-CB 4.31Å; V179-L237 HydrophobicContact CG1-CD1 4.22Å; V179-L237 HydrophobicContact CG1-CD2 3.97Å; V179-L237 HydrophobicContact CG1-CG 4.4Å; V179-H241 HydrophobicContact CG1-CB 3.78Å; V179-H241 HydrophobicContact CG2-CB 4.41Å
180E98.6Very high98Very high59 Ų5928.6 Ų28.628%0.27615%0.151SC..Hα-helixtrans-65.5-38.4177.6-176.460.6-16000112M148 N176 V178 R183 R184M148-E180 HydrophobicContact CG-CB 4.3Å; M148-E180 HydrophobicContact CG-CG 4.24Å; M148-E180 HydrophobicContact SD-CB 4.19Å; M148-E180 HydrophobicContact SD-CG 3.49Å; M148-E180 WeakPolarHBondContact SD-CG 3.32Å; N176-E180 VanDerWaalsContact O-CB 3.31Å; N176-E180 WeakPolarHBondContact O-CB 3.46Å; N176-E180 PolarHBondContact O-N 2.9Å; V178-E180 PolarHBondContact O-N 3.12Å; E180-R183 PolarHBondContact O-N 3.24Å; E180-R184 WeakPolarHBondContact O-CG 3.46Å; E180-R184 PolarHBondContact O-N 3.31Å; E180-R184 IonicContact OE1-NE 2.75Å; E180-R184 PolarHBondContact OE1-NE 2.74Å; E180-R184 IonicContact OE1-NH2 2.77Å
181G98.6Very high98.1Very high4 Ų428.8 Ų28.84%0.04115%0.15CC..Hα-helixtrans-61.1-43.2173.300000112.7G177 V178 V179 R184 A185G177-G181 PolarHBondContact O-N 2.71Å; V178-G181 CarbonylContact O-C 3.28Å; V178-G181 PolarHBondContact O-N 3.38Å; V179-G181 VanDerWaalsContact C-N 3.34Å; V179-G181 PolarHBondContact O-N 3.41Å; G181-R184 PolarHBondContact O-N 2.97Å; G181-A185 PolarHBondContact O-N 2.86Å
182L98.7Very high98.3Very high0 Ų028.6 Ų28.60%015%0.149CC..Hα-helixtrans-61.1-46.2175.7-71.5172.7000110.6V151 M165 V178 V179 R184 A185 G186 W187 V190 V192V151-L182 HydrophobicContact CG1-CD2 4.04Å; V151-L182 HydrophobicContact CG1-CG 4.47Å; V151-L182 HydrophobicContact CG2-CG 4.4Å; M165-L182 HydrophobicContact CG-CD1 4.02Å; M165-L182 HydrophobicContact CG-CD2 4.01Å; M165-L182 HydrophobicContact CG-CG 4.47Å; V178-L182 HydrophobicContact CG1-CD1 4.01Å; V178-L182 HydrophobicContact CG1-CG 4.23Å; V178-L182 WeakPolarHBondContact O-CB 3.38Å; V178-L182 VanDerWaalsContact O-CG 3.26Å; V178-L182 WeakPolarHBondContact O-CG 3.42Å; V178-L182 PolarHBondContact O-N 3Å; V179-L182 WeakPolarHBondContact O-CB 3.16Å; V179-L182 PolarHBondContact O-N 3.46Å; L182-R184 VanDerWaalsContact C-N 3.3Å; L182-R184 PolarHBondContact O-N 2.95Å; L182-A185 PolarHBondContact O-N 2.78Å; L182-G186 PolarHBondContact O-N 3.21Å; L182-W187 HydrophobicContact CB-CB 4.32Å; L182-W187 HydrophobicContact CD2-CB 4Å; L182-W187 HydrophobicContact CD2-CE3 3.78Å; L182-W187 WeakPolarHBondContact O-CA 3.37Å; L182-W187 WeakPolarHBondContact O-CB 3.38Å; L182-W187 PolarHBondContact O-N 3.3Å; L182-V190 HydrophobicContact CD1-CB 4.19Å; L182-V190 HydrophobicContact CD1-CG1 4.39Å; L182-V190 HydrophobicContact CD2-CB 4.13Å; L182-V190 HydrophobicContact CD2-CG1 4.33Å; L182-V190 HydrophobicContact CD2-CG2 4.29Å; L182-V192 HydrophobicContact CD1-CG2 3.86Å
183R98.1Very high98.4Very high61 Ų6128.5 Ų28.523%0.2315%0.147CC..Hα-helixtrans-58.8-43.2178-69176.9172.4-178.9-5.1112V179 E180 A185 G186 N188 L237 E240V179-R183 WeakPolarHBondContact O-CG 3.36Å; V179-R183 PolarHBondContact O-N 3.19Å; E180-R183 PolarHBondContact O-N 3.24Å; R183-A185 PolarHBondContact O-N 2.77Å; R183-G186 PolarHBondContact O-N 3.37Å; R183-G186 VanDerWaalsContact O-N 3.1Å; R183-N188 VanDerWaalsContact CA-OD1 3.25Å; R183-N188 WeakPolarHBondContact CA-OD1 3.03Å; R183-N188 WeakPolarHBondContact CB-OD1 3.46Å; R183-N188 VanDerWaalsContact CG-OD1 3.27Å; R183-N188 WeakPolarHBondContact CG-OD1 3.42Å; R183-L237 VanDerWaalsContact NH1-CD2 3.29Å; R183-E240 IonicContact CZ-OE2 3.46Å; R183-E240 IonicContact NH1-OE2 2.69Å; R183-E240 PolarHBondContact NH1-OE2 2.98Å; R183-E240 PolarHBondContact NH2-O 2.59Å; R183-E240 IonicContact NH2-OE2 3.69Å; R183-E240 PolarHBondContact NH2-OE2 2.88Å
184R97.4Very high98.4Very high161 Ų16128.3 Ų28.361%0.60815%0.146SC*.Hα-helixtrans-66.6-33.7178.1-72.9179.7-179.7-145.66.7113.9M148 E180 G181 L182 G186M148-R184 VanDerWaalsContact CE-CZ 3.42Å; M148-R184 VanDerWaalsContact SD-CZ 3.52Å; M148-R184 PolarHBondContact SD-NE 2.93Å; M148-R184 VanDerWaalsContact SD-NE 3.4Å; E180-R184 WeakPolarHBondContact O-CG 3.46Å; E180-R184 PolarHBondContact O-N 3.31Å; E180-R184 IonicContact OE1-NE 2.75Å; E180-R184 PolarHBondContact OE1-NE 2.74Å; E180-R184 IonicContact OE1-NH2 2.77Å; G181-R184 PolarHBondContact O-N 2.97Å; L182-R184 VanDerWaalsContact C-N 3.3Å; L182-R184 PolarHBondContact O-N 2.95Å; R184-G186 PolarHBondContact O-N 2.92Å
185A97.5Very high98.4Very high16 Ų1628 Ų2813%0.13214%0.144CC..THydrogen-bonded Turntrans-77.31.7173.900000113.1V151 G181 L182 R183 W187V151-A185 HydrophobicContact CG1-CB 4.25Å; G181-A185 PolarHBondContact O-N 2.86Å; L182-A185 PolarHBondContact O-N 2.78Å; R183-A185 PolarHBondContact O-N 2.77Å; A185-W187 HydrophobicContact CB-CB 4.5Å; A185-W187 HydrophobicContact CB-CD2 3.98Å; A185-W187 HydrophobicContact CB-CE3 4.36Å; A185-W187 HydrophobicContact CB-CG 4.04Å; A185-W187 PolarHBondContact O-N 3.38Å; A185-W187 PolarHBondContact O-NE1 3.04Å
186G97.9Very high98.4Very high47 Ų4728 Ų2849%0.48514%0.144SC..THydrogen-bonded Turntrans73.114-174.100000113.8L182 R183 R184 N188L182-G186 PolarHBondContact O-N 3.21Å; R183-G186 PolarHBondContact O-N 3.37Å; R183-G186 VanDerWaalsContact O-N 3.1Å; R184-G186 PolarHBondContact O-N 2.92Å; G186-N188 VanDerWaalsContact C-N 3.33Å; G186-N188 PolarHBondContact O-N 2.85Å
187W98Very high98.4Very high31 Ų3127.9 Ų27.912%0.11714%0.144CC..  trans-97.140.3-176.3-65.3-0.8000112.1V151 L154 E155 L158 K161 P162 L182 A185 D189 V190V151-W187 HydrophobicContact CG1-CE3 4.23Å; V151-W187 HydrophobicContact CG1-CZ3 4.3Å; L154-W187 HydrophobicContact CB-CH2 4.41Å; L154-W187 HydrophobicContact CB-CZ3 4.16Å; E155-W187 HydrophobicContact CB-CH2 4.18Å; E155-W187 HydrophobicContact CB-CZ2 4.31Å; E155-W187 HydrophobicContact CG-CZ2 4.41Å; L158-W187 HydrophobicContact CD1-CH2 4.12Å; L158-W187 HydrophobicContact CD1-CZ3 4.34Å; K161-W187 HydrophobicContact CB-CD2 4.37Å; K161-W187 HydrophobicContact CB-CZ2 4.41Å; K161-W187 HydrophobicContact CD-CB 4.25Å; K161-W187 HydrophobicContact CD-CD2 4.48Å; K161-W187 HydrophobicContact CD-CG 3.87Å; K161-W187 HydrophobicContact CG-CB 4.36Å; K161-W187 HydrophobicContact CG-CD2 3.84Å; K161-W187 HydrophobicContact CG-CE3 4.49Å; K161-W187 HydrophobicContact CG-CG 3.74Å; P162-W187 VanDerWaalsContact CD-CZ3 3.41Å; P162-W187 HydrophobicContact CG-CE3 4Å; P162-W187 HydrophobicContact CG-CZ3 3.93Å; L182-W187 HydrophobicContact CB-CB 4.32Å; L182-W187 HydrophobicContact CD2-CB 4Å; L182-W187 HydrophobicContact CD2-CE3 3.78Å; L182-W187 WeakPolarHBondContact O-CA 3.37Å; L182-W187 WeakPolarHBondContact O-CB 3.38Å; L182-W187 PolarHBondContact O-N 3.3Å; A185-W187 HydrophobicContact CB-CB 4.5Å; A185-W187 HydrophobicContact CB-CD2 3.98Å; A185-W187 HydrophobicContact CB-CE3 4.36Å; A185-W187 HydrophobicContact CB-CG 4.04Å; A185-W187 PolarHBondContact O-N 3.38Å; A185-W187 PolarHBondContact O-NE1 3.04Å; W187-D189 PolarHBondContact O-N 2.98Å; W187-D189 VanDerWaalsContact O-N 3.14Å; W187-V190 HydrophobicContact CB-CG2 3.75Å; W187-V190 HydrophobicContact CG-CG2 4.4Å; W187-V190 PolarHBondContact O-N 3Å; W187-V190 VanDerWaalsContact O-N 3.13Å
188N97.3Very high98.4Very high86 Ų8631.6 Ų31.646%0.4617%0.166SC..THydrogen-bonded Turntrans-60.1-25.2-173.5-60.7-71.1000114.1R183 G186 H241R183-N188 VanDerWaalsContact CA-OD1 3.25Å; R183-N188 WeakPolarHBondContact CA-OD1 3.03Å; R183-N188 WeakPolarHBondContact CB-OD1 3.46Å; R183-N188 VanDerWaalsContact CG-OD1 3.27Å; R183-N188 WeakPolarHBondContact CG-OD1 3.42Å; G186-N188 VanDerWaalsContact C-N 3.33Å; G186-N188 PolarHBondContact O-N 2.85Å; N188-H241 PolarHBondContact O-CE1 3.47Å
189D97.3Very high98.3Very high105 Ų10531.8 Ų31.856%0.56117%0.168SC*.THydrogen-bonded Turntrans-97.73.1-176.862.5-46.9000113.3K161 W187 P191K161-D189 WeakPolarHBondContact CE-OD1 3.49Å; K161-D189 IonicContact NZ-OD1 2.74Å; K161-D189 PolarHBondContact NZ-OD1 2.82Å; K161-D189 IonicContact NZ-OD2 2.61Å; K161-D189 PolarHBondContact NZ-OD2 2.86Å; W187-D189 PolarHBondContact O-N 2.98Å; W187-D189 VanDerWaalsContact O-N 3.14Å; D189-P191 VanDerWaalsContact O-CD 3.23Å; D189-P191 WeakPolarHBondContact O-CD 3.33Å
190V98.6Very high98.2Very high1 Ų131.8 Ų31.81%0.00617%0.168CC..  trans-71.2115.6169.6-179.10000109.2K161 P162 M165 L182 W187 H241K161-V190 HydrophobicContact CD-CG2 3.98Å; K161-V190 HydrophobicContact CG-CG2 3.73Å; P162-V190 HydrophobicContact CG-CG1 4.18Å; P162-V190 HydrophobicContact CG-CG2 4.25Å; P162-V190 WeakPolarHBondContact O-CG2 3.35Å; M165-V190 HydrophobicContact CG-CG1 3.93Å; L182-V190 HydrophobicContact CD1-CB 4.19Å; L182-V190 HydrophobicContact CD1-CG1 4.39Å; L182-V190 HydrophobicContact CD2-CB 4.13Å; L182-V190 HydrophobicContact CD2-CG1 4.33Å; L182-V190 HydrophobicContact CD2-CG2 4.29Å; W187-V190 HydrophobicContact CB-CG2 3.75Å; W187-V190 HydrophobicContact CG-CG2 4.4Å; W187-V190 PolarHBondContact O-N 3Å; W187-V190 VanDerWaalsContact O-N 3.13Å; V190-H241 PolarHBondContact O-NE2 2.85Å
191P98.7Very high98.2Very high15 Ų1531.3 Ų31.310%0.09717%0.166CC..  trans-67.6145.2175.928.5-34.5000111.6G163 A164 M165 D189 T242 Y244 L293G163-P191 VanDerWaalsContact O-CD 3.23Å; G163-P191 WeakPolarHBondContact O-CD 3.48Å; G163-P191 WeakPolarHBondContact O-CG 3.44Å; A164-P191 WeakPolarHBondContact CA-O 3.17Å; A164-P191 HydrophobicContact CB-CG 4.05Å; M165-P191 PolarHBondContact N-O 3.33Å; D189-P191 VanDerWaalsContact O-CD 3.23Å; D189-P191 WeakPolarHBondContact O-CD 3.33Å; P191-T242 WeakPolarHBondContact CA-O 3.35Å; P191-T242 HydrophobicContact CB-CG2 3.9Å; P191-Y244 HydrophobicContact CB-CD2 4.06Å; P191-Y244 HydrophobicContact CB-CE2 3.57Å; P191-Y244 HydrophobicContact CG-CE2 4.4Å; P191-L293 HydrophobicContact CB-CD2 4.08Å; P191-L293 HydrophobicContact CG-CD2 3.52Å
192V98.9Very high98.2Very high0 Ų031.1 Ų31.10%016%0.164CC..EExtended strand (participates in β ladder)trans-104.9121.8172177.60000109.2M165 L167 M175 V178 V179 L182 T242 V243 Y244M165-V192 HydrophobicContact CB-CG2 4.3Å; M165-V192 CarbonylContact O-C 3.55Å; M165-V192 WeakPolarHBondContact O-CA 3.42Å; L167-V192 HydrophobicContact CD2-CG1 3.77Å; L167-V192 HydrophobicContact CG-CG1 3.98Å; M175-V192 HydrophobicContact CG-CG1 4.37Å; V178-V192 HydrophobicContact CG1-CG2 4.5Å; V179-V192 HydrophobicContact CG2-CG2 3.99Å; L182-V192 HydrophobicContact CD1-CG2 3.86Å; V192-T242 PolarHBondContact N-O 3.49Å; V192-V243 HydrophobicContact CB-CG2 4.32Å; V192-V243 CarbonylContact O-C 3.59Å; V192-V243 VanDerWaalsContact O-CA 3.31Å; V192-V243 WeakPolarHBondContact O-CA 3.01Å; V192-Y244 PolarHBondContact O-N 3.01Å
193I98.9Very high98.2Very high0 Ų031.1 Ų31.10%016%0.164CC..EExtended strand (participates in β ladder)trans-91.3102.2170.3-47.2179.4000107.2A164 M165 V166 L167 M195 E246 I284 L287 L293A164-I193 HydrophobicContact CB-CD1 4.3Å; M165-I193 PolarHBondContact O-N 2.84Å; V166-I193 HydrophobicContact CG2-CB 4.2Å; V166-I193 HydrophobicContact CG2-CD1 4.03Å; V166-I193 HydrophobicContact CG2-CG1 4.4Å; L167-I193 PolarHBondContact N-O 3.43Å; L167-I193 VanDerWaalsContact N-O 3.12Å; I193-M195 HydrophobicContact CG2-CG 4.41Å; I193-M195 HydrophobicContact CG2-SD 3.58Å; I193-M195 VanDerWaalsContact CG2-SD 3.58Å; I193-E246 HydrophobicContact CG2-CG 4.21Å; I193-I284 HydrophobicContact CD1-CG1 3.82Å; I193-L287 HydrophobicContact CD1-CD1 3.98Å; I193-L287 HydrophobicContact CG1-CD1 4.28Å; I193-L287 HydrophobicContact CG2-CD1 4.22Å; I193-L293 HydrophobicContact CD1-CD1 3.79Å
194A98.8Very high98.2Very high0 Ų028.9 Ų28.90%016%0.156CC..EExtended strand (participates in β ladder)trans-92.8103.1-176.400000109.8V169 M175 L203 V243 Y244 S245 E246V169-A194 HydrophobicContact CG2-CB 3.75Å; M175-A194 HydrophobicContact SD-CB 4.22Å; A194-L203 HydrophobicContact CB-CD2 3.73Å; A194-V243 HydrophobicContact CB-CG1 3.7Å; A194-Y244 PolarHBondContact N-O 3.01Å; A194-S245 WeakPolarHBondContact O-CA 3.35Å; A194-E246 PolarHBondContact O-N 2.86Å
195M98.9Very high98.3Very high0 Ų022 Ų220%013%0.134CC..EExtended strand (participates in β ladder)trans-92.4132.1-173.6-57.9-59.7-63.700111.9V166 L167 S168 V169 I193 E246 V248 A274 A278 I283V166-M195 HydrophobicContact CG1-CG 3.97Å; L167-M195 PolarHBondContact O-N 3.42Å; S168-M195 CarbonylContact C-O 3.57Å; S168-M195 WeakPolarHBondContact CA-O 3.39Å; V169-M195 PolarHBondContact N-O 3.12Å; I193-M195 HydrophobicContact CG2-CG 4.41Å; I193-M195 HydrophobicContact CG2-SD 3.58Å; I193-M195 VanDerWaalsContact CG2-SD 3.58Å; M195-E246 WeakPolarHBondContact CA-O 3.3Å; M195-E246 HydrophobicContact CE-CB 4.21Å; M195-E246 HydrophobicContact SD-CB 3.68Å; M195-V248 HydrophobicContact CE-CG1 3.72Å; M195-A274 HydrophobicContact CB-CB 4.45Å; M195-A274 VanDerWaalsContact CB-O 3.29Å; M195-A274 WeakPolarHBondContact CB-O 3.41Å; M195-A274 WeakPolarHBondContact CE-O 3.36Å; M195-A274 WeakPolarHBondContact CG-O 3.4Å; M195-A278 HydrophobicContact CE-CB 4.18Å; M195-A278 HydrophobicContact CG-CB 4.19Å; M195-A278 HydrophobicContact SD-CB 3.89Å; M195-I283 HydrophobicContact CE-CG1 4.16Å
196E98.8Very high98.3Very high0 Ų021.2 Ų21.20%013%0.128CC..EExtended strand (participates in β ladder)trans-133162.3171.5-63176.8116.200110.8V169 H201 S202 L203 N204 E246 L247 V248V169-E196 HydrophobicContact CB-CG 3.95Å; E196-H201 HydrophobicContact CB-CB 4.17Å; E196-H201 VanDerWaalsContact CD-CA 3.47Å; E196-H201 VanDerWaalsContact OE1-C 3.31Å; E196-H201 WeakPolarHBondContact OE1-CA 3.46Å; E196-H201 WeakPolarHBondContact OE2-CA 3.45Å; E196-S202 PolarHBondContact OE1-N 3.46Å; E196-L203 VanDerWaalsContact OE1-CB 3.3Å; E196-L203 WeakPolarHBondContact OE1-CB 3.43Å; E196-L203 PolarHBondContact OE1-N 2.63Å; E196-L203 WeakPolarHBondContact OE2-CB 3.19Å; E196-L203 PolarHBondContact OE2-N 2.96Å; E196-N204 WeakPolarHBondContact OE2-CB 3.46Å; E196-N204 PolarHBondContact OE2-N 3.11Å; E196-E246 PolarHBondContact N-O 3.02Å; E196-L247 HydrophobicContact CB-CD2 3.76Å; E196-L247 WeakPolarHBondContact O-CA 3.35Å; E196-V248 PolarHBondContact O-N 3.22Å
197T98.8Very high98.4Very high0 Ų021.7 Ų21.70%012%0.118CC..EExtended strand (participates in β ladder)trans-92.2144.8168.446.80000111.5G199 A200 H201 S220 A222 L225 V248 D250 A253 A274T197-G199 PolarHBondContact O-N 3.44Å; T197-A200 CarbonylContact O-C 3.54Å; T197-A200 PolarHBondContact O-N 3.35Å; T197-H201 PolarHBondContact O-N 3.11Å; T197-S220 WeakPolarHBondContact CB-OG 3.32Å; T197-S220 WeakPolarHBondContact OG1-CB 3.47Å; T197-S220 PolarHBondContact OG1-OG 3.45Å; T197-A222 HydrophobicContact CG2-CB 4.05Å; T197-L225 HydrophobicContact CG2-CD1 4.24Å; T197-V248 CarbonylContact C-O 3.53Å; T197-V248 WeakPolarHBondContact CA-O 3.18Å; T197-V248 HydrophobicContact CG2-CG2 4.29Å; T197-D250 WeakPolarHBondContact CB-OD1 3.24Å; T197-A253 HydrophobicContact CG2-CB 3.83Å; T197-A274 HydrophobicContact CG2-CB 4.15Å
198V98.5Very high98.4Very high78 Ų7827.9 Ų27.947%0.47315%0.145SC..THydrogen-bonded Turntrans-55130.4165.4-179.80000108.4S220 L247 V248V198-S220 WeakPolarHBondContact O-CB 3.22Å; V198-L247 HydrophobicContact CG2-CB 4.27Å; V198-L247 HydrophobicContact CG2-CD1 4.5Å; V198-V248 PolarHBondContact N-O 2.85Å
199G97.3Very high98.4Very high4 Ų426 Ų264%0.04114%0.142CC..THydrogen-bonded Turntrans90.1-9.1-170.200000116.7T197 H201 I218 T219 S220T197-G199 PolarHBondContact O-N 3.44Å; G199-H201 PolarHBondContact N-ND1 3.34Å; G199-I218 WeakPolarHBondContact O-CA 3.4Å; G199-T219 WeakPolarHBondContact CA-OG1 3.33Å; G199-T219 PolarHBondContact O-N 2.98Å; G199-S220 PolarHBondContact O-N 3.39Å
200A97.6Very high98.4Very high0 Ų024 Ų240%015%0.146CC..SBendtrans-138.738.6170.400000112T197 S202 I218 L225T197-A200 CarbonylContact O-C 3.54Å; T197-A200 PolarHBondContact O-N 3.35Å; A200-S202 PolarHBondContact O-N 2.83Å; A200-I218 HydrophobicContact CB-CG2 4.3Å; A200-L225 HydrophobicContact CB-CB 3.96Å
201H98.3Very high98.4Very high49 Ų4930.4 Ų30.423%0.22717%0.174CC..  trans-103.452.4-167.956.1-76.7000113E196 T197 G199 N204 A205 L247E196-H201 HydrophobicContact CB-CB 4.17Å; E196-H201 VanDerWaalsContact CD-CA 3.47Å; E196-H201 VanDerWaalsContact OE1-C 3.31Å; E196-H201 WeakPolarHBondContact OE1-CA 3.46Å; E196-H201 WeakPolarHBondContact OE2-CA 3.45Å; T197-H201 PolarHBondContact O-N 3.11Å; G199-H201 PolarHBondContact N-ND1 3.34Å; H201-N204 HydrophobicContact CB-CB 4.13Å; H201-N204 PolarHBondContact O-N 3.38Å; H201-A205 WeakPolarHBondContact O-CB 3.27Å; H201-A205 PolarHBondContact O-N 3.25Å; H201-L247 HydrophobicContact CB-CD1 4.19Å; H201-L247 HydrophobicContact CB-CD2 3.47Å; H201-L247 VanDerWaalsContact CB-CD2 3.47Å; H201-L247 HydrophobicContact CB-CG 4.5Å
202S98Very high98.3Very high0 Ų032 Ų320%018%0.181CC..Hα-helixtrans-72.8-27.5-172.961.90000112.9E196 A200 A206 L227 V230E196-S202 PolarHBondContact OE1-N 3.46Å; A200-S202 PolarHBondContact O-N 2.83Å; S202-A206 WeakPolarHBondContact O-CB 3.43Å; S202-A206 PolarHBondContact O-N 3.35Å; S202-A206 VanDerWaalsContact O-N 3.1Å; S202-L227 WeakPolarHBondContact CB-O 3.27Å; S202-L227 PolarHBondContact OG-O 3.17Å; S202-V230 WeakPolarHBondContact OG-CG1 3.44Å
203L98.6Very high98.2Very high0 Ų034.5 Ų34.50%019%0.194CC..Hα-helixtrans-67.1-50.6170.9178.960.4000110.4V169 M175 A194 E196 A205 A206 M207 V230 T234 A238V169-L203 HydrophobicContact CB-CD2 4.21Å; V169-L203 HydrophobicContact CG1-CB 3.91Å; V169-L203 HydrophobicContact CG1-CD2 3.95Å; V169-L203 HydrophobicContact CG2-CD2 3.88Å; M175-L203 HydrophobicContact CE-CD2 4.5Å; M175-L203 HydrophobicContact SD-CD2 3.69Å; A194-L203 HydrophobicContact CB-CD2 3.73Å; E196-L203 VanDerWaalsContact OE1-CB 3.3Å; E196-L203 WeakPolarHBondContact OE1-CB 3.43Å; E196-L203 PolarHBondContact OE1-N 2.63Å; E196-L203 WeakPolarHBondContact OE2-CB 3.19Å; E196-L203 PolarHBondContact OE2-N 2.96Å; L203-A205 VanDerWaalsContact C-N 3.29Å; L203-A205 PolarHBondContact O-N 3.06Å; L203-A206 PolarHBondContact O-N 3.45Å; L203-A206 VanDerWaalsContact O-N 3.11Å; L203-M207 HydrophobicContact CD1-CG 3.89Å; L203-M207 HydrophobicContact CD1-SD 3.97Å; L203-M207 HydrophobicContact CD2-SD 4.3Å; L203-M207 HydrophobicContact CG-CG 4.21Å; L203-M207 HydrophobicContact CG-SD 3.89Å; L203-M207 WeakPolarHBondContact O-CG 3.2Å; L203-M207 PolarHBondContact O-N 2.78Å; L203-V230 HydrophobicContact CB-CG1 3.82Å; L203-V230 HydrophobicContact CD1-CG1 4.45Å; L203-V230 HydrophobicContact CD1-CG2 4.45Å; L203-T234 HydrophobicContact CD1-CG2 3.75Å; L203-A238 HydrophobicContact CD1-CB 4.39Å
204N98.7Very high98.1Very high13 Ų1338.2 Ų38.27%0.0722%0.217CC..Hα-helixtrans-57.6-44.1-179.3-169-96.8000111.7E196 H201 M207 K208 S245 L247E196-N204 WeakPolarHBondContact OE2-CB 3.46Å; E196-N204 PolarHBondContact OE2-N 3.11Å; H201-N204 HydrophobicContact CB-CB 4.13Å; H201-N204 PolarHBondContact O-N 3.38Å; N204-M207 PolarHBondContact O-N 3.18Å; N204-K208 WeakPolarHBondContact O-CB 3.37Å; N204-K208 WeakPolarHBondContact O-CG 3.44Å; N204-K208 PolarHBondContact O-N 3.05Å; N204-K208 WeakPolarHBondContact OD1-CD 3.26Å; N204-K208 WeakPolarHBondContact OD1-CE 3.3Å; N204-K208 PolarHBondContact OD1-NZ 3.46Å; N204-S245 VanDerWaalsContact CA-OG 3.28Å; N204-S245 WeakPolarHBondContact CA-OG 3.48Å; N204-S245 VanDerWaalsContact CB-OG 3.28Å; N204-S245 WeakPolarHBondContact CB-OG 3.46Å; N204-S245 PolarHBondContact ND2-O 3.34Å; N204-S245 PolarHBondContact ND2-OG 3.48Å; N204-L247 HydrophobicContact CB-CD1 4.36Å; N204-L247 HydrophobicContact CB-CD2 3.81Å; N204-L247 HydrophobicContact CB-CG 4.33Å
205A98.4Very high98Very high17 Ų1739.4 Ų39.414%0.1422%0.223CC..Hα-helixtrans-61.1-44.9175.800000111.9H201 L203 A209 I213 L215H201-A205 WeakPolarHBondContact O-CB 3.27Å; H201-A205 PolarHBondContact O-N 3.25Å; L203-A205 VanDerWaalsContact C-N 3.29Å; L203-A205 PolarHBondContact O-N 3.06Å; A205-A209 VanDerWaalsContact O-CB 3.32Å; A205-A209 WeakPolarHBondContact O-CB 3.47Å; A205-A209 PolarHBondContact O-N 2.98Å; A205-A209 VanDerWaalsContact O-N 3.09Å; A205-I213 HydrophobicContact CB-CG2 4.38Å; A205-L215 HydrophobicContact CB-CD2 3.97Å
206A98.5Very high97.7Very high0 Ų046.3 Ų46.30%027%0.265CS..Hα-helixtrans-66.5-42.1178.800000112.6S202 L203 A209 G210 K211 V230 L235S202-A206 WeakPolarHBondContact O-CB 3.43Å; S202-A206 PolarHBondContact O-N 3.35Å; S202-A206 VanDerWaalsContact O-N 3.1Å; L203-A206 PolarHBondContact O-N 3.45Å; L203-A206 VanDerWaalsContact O-N 3.11Å; A206-A209 PolarHBondContact O-N 3.36Å; A206-G210 PolarHBondContact O-N 2.96Å; A206-K211 VanDerWaalsContact CA-O 3.27Å; A206-K211 WeakPolarHBondContact CA-O 3.46Å; A206-K211 PolarHBondContact O-N 3.09Å; A206-K211 VanDerWaalsContact O-O 3.14Å; A206-V230 HydrophobicContact CB-CG2 4.06Å; A206-L235 HydrophobicContact CB-CD1 4.14Å
207M98.5Very high97.5Very high56 Ų5652.4 Ų52.428%0.27629%0.294SS..Hα-helixtrans-64.6-45.7177.4-73.3-175.771.400111.7L203 N204 A209 G210 L235 A238 V243 S245L203-M207 HydrophobicContact CD1-CG 3.89Å; L203-M207 HydrophobicContact CD1-SD 3.97Å; L203-M207 HydrophobicContact CD2-SD 4.3Å; L203-M207 HydrophobicContact CG-CG 4.21Å; L203-M207 HydrophobicContact CG-SD 3.89Å; L203-M207 WeakPolarHBondContact O-CG 3.2Å; L203-M207 PolarHBondContact O-N 2.78Å; N204-M207 PolarHBondContact O-N 3.18Å; M207-A209 VanDerWaalsContact C-N 3.27Å; M207-A209 PolarHBondContact O-N 3.49Å; M207-G210 PolarHBondContact O-N 3.26Å; M207-L235 HydrophobicContact CG-CD1 4.34Å; M207-A238 HydrophobicContact CE-CB 3.98Å; M207-A238 HydrophobicContact CG-CB 4.02Å; M207-A238 HydrophobicContact SD-CB 3.78Å; M207-V243 HydrophobicContact CE-CB 4.43Å; M207-V243 HydrophobicContact CE-CG1 4.49Å; M207-V243 HydrophobicContact SD-CG1 4.38Å; M207-S245 VanDerWaalsContact SD-CB 3.57Å
208K98.2Very high97.2Very high161 Ų16154.9 Ų54.970%0.731%0.307SS*.Hα-helixtrans-60.8-36.6175.8-78.4175.2174.3162.70112.6N204N204-K208 WeakPolarHBondContact O-CB 3.37Å; N204-K208 WeakPolarHBondContact O-CG 3.44Å; N204-K208 PolarHBondContact O-N 3.05Å; N204-K208 WeakPolarHBondContact OD1-CD 3.26Å; N204-K208 WeakPolarHBondContact OD1-CE 3.3Å; N204-K208 PolarHBondContact OD1-NZ 3.46Å
209A97.9Very high97.1Very high48 Ų4855.4 Ų55.440%0.39731%0.31SS..Hα-helixtrans-82.7-12.3179.600000114A205 A206 M207 K211 I213A205-A209 VanDerWaalsContact O-CB 3.32Å; A205-A209 WeakPolarHBondContact O-CB 3.47Å; A205-A209 PolarHBondContact O-N 2.98Å; A205-A209 VanDerWaalsContact O-N 3.09Å; A206-A209 PolarHBondContact O-N 3.36Å; M207-A209 VanDerWaalsContact C-N 3.27Å; M207-A209 PolarHBondContact O-N 3.49Å; A209-K211 HydrophobicContact CB-CG 4.19Å; A209-K211 PolarHBondContact O-N 3.44Å; A209-I213 HydrophobicContact CB-CD1 3.96Å; A209-I213 HydrophobicContact CB-CG1 3.58Å
210G97.6Very high97.1Very high62 Ų6255.6 Ų55.664%0.63931%0.311SS*.THydrogen-bonded Turntrans6412.8-172.800000114.4A206 M207A206-G210 PolarHBondContact O-N 2.96Å; M207-G210 PolarHBondContact O-N 3.26Å
211K98.1Very high96.9Very high135 Ų13556.7 Ų56.759%0.58732%0.316SS*.SBendtrans-153.7161.4-178.467.4-176.3178.2-176.80110.3A206 A209 I213A206-K211 VanDerWaalsContact CA-O 3.27Å; A206-K211 WeakPolarHBondContact CA-O 3.46Å; A206-K211 PolarHBondContact O-N 3.09Å; A206-K211 VanDerWaalsContact O-O 3.14Å; A209-K211 HydrophobicContact CB-CG 4.19Å; A209-K211 PolarHBondContact O-N 3.44Å; K211-I213 HydrophobicContact CG-CD1 4.19Å; K211-I213 PolarHBondContact O-N 3.44Å
212L97.9Very high96.6Very high49 Ų4954.4 Ų54.426%0.25731%0.306SS..  trans-61.8128.4176.3-69.6173.7000110.8R229 V230 A232 L235L212-R229 VanDerWaalsContact CB-NH2 3.34Å; L212-R229 VanDerWaalsContact CD1-NH2 3.29Å; L212-V230 HydrophobicContact CD2-CG2 3.98Å; L212-A232 HydrophobicContact CD1-CB 3.99Å; L212-L235 HydrophobicContact CD2-CB 4.01Å; L212-L235 HydrophobicContact CD2-CD2 4.04Å; L212-L235 HydrophobicContact CG-CD2 4.02Å
213I96.5Very high96.1Very high53 Ų5358.7 Ų58.727%0.27233%0.333SS..  trans-119.7144.3175.5-64.2-61.3000108.7A205 A209 K211 R229A205-I213 HydrophobicContact CB-CG2 4.38Å; A209-I213 HydrophobicContact CB-CD1 3.96Å; A209-I213 HydrophobicContact CB-CG1 3.58Å; K211-I213 HydrophobicContact CG-CD1 4.19Å; K211-I213 PolarHBondContact O-N 3.44Å; I213-R229 WeakPolarHBondContact O-CG 3.32Å
214T97.2Very high95.7Very high78 Ų7860.6 Ų60.648%0.47934%0.344SS..  trans-104118.1168.5-51.90000108T228 R229T214-T228 CarbonylContact C-O 3.58Å; T214-T228 WeakPolarHBondContact CA-O 3.4Å; T214-R229 WeakPolarHBondContact OG1-CD 3.45Å
215L95.3Very high95.5Very high24 Ų2460.2 Ų60.213%0.12634%0.342CS..  trans-61.2138.3168.2-59.3179.8000109.2A205 E217 I218 T228A205-L215 HydrophobicContact CB-CD2 3.97Å; L215-E217 VanDerWaalsContact C-N 3.26Å; L215-E217 PolarHBondContact O-N 3.33Å; L215-I218 HydrophobicContact CD1-CD1 4.13Å; L215-T228 PolarHBondContact N-O 3.38Å; L215-T228 WeakPolarHBondContact O-CB 3.39Å
216T93.8Very high95.1Very high145 Ų14560.4 Ų60.489%0.8935%0.346SS*.SBendtrans-63.9-35.2179.8470000112
217E93.2Very high94.7Very high128 Ų12862.6 Ų62.660%0.59836%0.357SS*.  trans-153.5164.7178.957.8176.1160.800111L215 T219L215-E217 VanDerWaalsContact C-N 3.26Å; L215-E217 PolarHBondContact O-N 3.33Å; E217-T219 HydrophobicContact CG-CG2 3.83Å
218I93.5Very high94.5Very high53 Ų5362.6 Ų62.627%0.27236%0.361SS..  trans-104.8113.6170.1-58.9-58.3000107.8G199 A200 L215 T228G199-I218 WeakPolarHBondContact O-CA 3.4Å; A200-I218 HydrophobicContact CB-CG2 4.3Å; L215-I218 HydrophobicContact CD1-CD1 4.13Å; I218-T228 HydrophobicContact CD1-CG2 3.79Å; I218-T228 HydrophobicContact CG1-CG2 3.81Å
219T96Very high94.3Very high89 Ų8960.6 Ų60.655%0.54635%0.349SS..  trans-103.5-14.2-179.957.80000113.2G199 E217G199-T219 WeakPolarHBondContact CA-OG1 3.33Å; G199-T219 PolarHBondContact O-N 2.98Å; E217-T219 HydrophobicContact CG-CG2 3.83Å
220S96.7Very high94.3Very high8 Ų858.6 Ų58.66%0.05633%0.331CS..  trans-71.2144.4176.8173.40000111.8T197 V198 G199 A222 D250T197-S220 WeakPolarHBondContact CB-OG 3.32Å; T197-S220 WeakPolarHBondContact OG1-CB 3.47Å; T197-S220 PolarHBondContact OG1-OG 3.45Å; V198-S220 WeakPolarHBondContact O-CB 3.22Å; G199-S220 PolarHBondContact O-N 3.39Å; S220-A222 PolarHBondContact O-N 2.66Å; S220-A222 WeakPolarHBondContact OG-CB 3.45Å; S220-A222 PolarHBondContact OG-N 2.64Å; S220-D250 VanDerWaalsContact CA-OD2 3.27Å; S220-D250 WeakPolarHBondContact CA-OD2 3.34Å; S220-D250 WeakPolarHBondContact CB-OD1 3.5Å; S220-D250 PolarHBondContact OG-OD1 2.93Å
221I94.3Very high94.3Very high22 Ų2255.7 Ų55.711%0.11330%0.301CS..SBendtrans-71.1-16.6170.261.5128.3000113.2T223 D250 V254 P270 L318 L322I221-T223 PolarHBondContact O-N 3.36Å; I221-D250 HydrophobicContact CD1-CB 4.34Å; I221-D250 HydrophobicContact CG1-CB 3.66Å; I221-D250 WeakPolarHBondContact CG1-OD2 3.44Å; I221-D250 PolarHBondContact N-OD2 2.98Å; I221-V254 HydrophobicContact CD1-CG2 3.45Å; I221-V254 VanDerWaalsContact CD1-CG2 3.45Å; I221-P270 HydrophobicContact CD1-CB 4.09Å; I221-P270 HydrophobicContact CD1-CG 3.94Å; I221-L318 HydrophobicContact CB-CD2 4.19Å; I221-L318 HydrophobicContact CD1-CB 4.31Å; I221-L318 HydrophobicContact CD1-CD1 4.11Å; I221-L318 HydrophobicContact CD1-CD2 3.72Å; I221-L318 HydrophobicContact CD1-CG 4.24Å; I221-L322 HydrophobicContact CD1-CD1 3.95Å; I221-L322 HydrophobicContact CG1-CD1 4.38Å; I221-L322 HydrophobicContact CG2-CD2 4.33Å
222A92.8Very high94.3Very high2 Ų252.3 Ų52.32%0.01730%0.298CS..  trans-77.166.8178.300000110.8T197 S220 T224 L225 G226 P270T197-A222 HydrophobicContact CG2-CB 4.05Å; S220-A222 PolarHBondContact O-N 2.66Å; S220-A222 WeakPolarHBondContact OG-CB 3.45Å; S220-A222 PolarHBondContact OG-N 2.64Å; A222-T224 PolarHBondContact O-N 2.6Å; A222-L225 HydrophobicContact CB-CD1 4.01Å; A222-L225 HydrophobicContact CB-CG 4.18Å; A222-L225 WeakPolarHBondContact O-CB 3.12Å; A222-L225 PolarHBondContact O-N 3.09Å; A222-G226 PolarHBondContact O-N 3.08Å; A222-P270 HydrophobicContact CB-CB 3.95Å
223T86.9Confident94.4Very high90 Ų9052.3 Ų52.355%0.55230%0.297SS*.G310 helixtrans-57.5-26.9-171.355.10000114.5I221 L225 G226I221-T223 PolarHBondContact O-N 3.36Å; T223-L225 VanDerWaalsContact C-N 3.25Å; T223-L225 PolarHBondContact O-N 3.46Å; T223-G226 PolarHBondContact O-N 2.97Å
224T90.3Very high94.4Very high40 Ų4049.8 Ų49.825%0.24528%0.284CS..G310 helixtrans-68.2-22174.6-63.60000113.2A222 E269 A271A222-T224 PolarHBondContact O-N 2.6Å; T224-E269 WeakPolarHBondContact CB-OE2 3.32Å; T224-E269 PolarHBondContact OG1-OE2 3.06Å; T224-A271 HydrophobicContact CG2-CB 4.09Å
225L93.6Very high94.5Very high4 Ų447.6 Ų47.62%0.02127%0.269CS..G310 helixtrans-86.5-15169.2-54.2-177.5000112.6V169 T197 A200 A222 T223 L227 A271 A274V169-L225 WeakPolarHBondContact O-CD2 3.4Å; T197-L225 HydrophobicContact CG2-CD1 4.24Å; A200-L225 HydrophobicContact CB-CB 3.96Å; A222-L225 HydrophobicContact CB-CD1 4.01Å; A222-L225 HydrophobicContact CB-CG 4.18Å; A222-L225 WeakPolarHBondContact O-CB 3.12Å; A222-L225 PolarHBondContact O-N 3.09Å; T223-L225 VanDerWaalsContact C-N 3.25Å; T223-L225 PolarHBondContact O-N 3.46Å; L225-L227 PolarHBondContact O-N 3.43Å; L225-A271 HydrophobicContact CD1-CB 4.37Å; L225-A271 HydrophobicContact CD2-CB 3.65Å; L225-A271 HydrophobicContact CG-CB 3.66Å; L225-A274 HydrophobicContact CD1-CB 4Å
226G89.8Confident94.7Very high21 Ų2151.8 Ų51.822%0.21629%0.287CS..  trans-69.754.6-168.400000116A222 T223A222-G226 PolarHBondContact O-N 3.08Å; T223-G226 PolarHBondContact O-N 2.97Å
227L91.1Very high94.9Very high47 Ų4745 Ų4525%0.24624%0.244CC..  trans-99.1118.3170.8-68.3-57.2000106.5F138 S202 L225 R229F138-L227 HydrophobicContact CD1-CD1 4.34Å; F138-L227 HydrophobicContact CD1-CG 4.34Å; F138-L227 HydrophobicContact CE1-CD1 3.78Å; F138-L227 HydrophobicContact CE1-CG 3.94Å; S202-L227 WeakPolarHBondContact CB-O 3.27Å; S202-L227 PolarHBondContact OG-O 3.17Å; L225-L227 PolarHBondContact O-N 3.43Å; L227-R229 PolarHBondContact O-N 2.96Å; L227-R229 VanDerWaalsContact O-N 3.08Å
228T93.1Very high95.1Very high56 Ų5639.4 Ų39.434%0.34422%0.221SC..SBendtrans-63.6-17.3-178.151.60000112.5T214 L215 I218T214-T228 CarbonylContact C-O 3.58Å; T214-T228 WeakPolarHBondContact CA-O 3.4Å; L215-T228 PolarHBondContact N-O 3.38Å; L215-T228 WeakPolarHBondContact O-CB 3.39Å; I218-T228 HydrophobicContact CD1-CG2 3.79Å; I218-T228 HydrophobicContact CG1-CG2 3.81Å
229R95.8Very high95.2Very high119 Ų11940.3 Ų40.345%0.44924%0.243SC..SBendtrans-147.5134.4179.9-175.1171.3-179.3171.72.6110.3L212 I213 T214 L227L212-R229 VanDerWaalsContact CB-NH2 3.34Å; L212-R229 VanDerWaalsContact CD1-NH2 3.29Å; I213-R229 WeakPolarHBondContact O-CG 3.32Å; T214-R229 WeakPolarHBondContact OG1-CD 3.45Å; L227-R229 PolarHBondContact O-N 2.96Å; L227-R229 VanDerWaalsContact O-N 3.08Å
230V97.6Very high95.3Very high5 Ų540.9 Ų40.93%0.0324%0.239CC..  trans-75.8162.6169.9-67.30000112.2V169 S202 L203 A206 L212 T234V169-V230 HydrophobicContact CG1-CG1 4.31Å; S202-V230 WeakPolarHBondContact OG-CG1 3.44Å; L203-V230 HydrophobicContact CB-CG1 3.82Å; L203-V230 HydrophobicContact CD1-CG1 4.45Å; L203-V230 HydrophobicContact CD1-CG2 4.45Å; A206-V230 HydrophobicContact CB-CG2 4.06Å; L212-V230 HydrophobicContact CD2-CG2 3.98Å; V230-T234 HydrophobicContact CB-CG2 4.07Å; V230-T234 HydrophobicContact CG1-CG2 4.27Å; V230-T234 HydrophobicContact CG2-CG2 4.5Å
231S97.7Very high95.4Very high2 Ų241.2 Ų41.21%0.01424%0.24CC..  trans-63.9154.6172.778.10000112D139 G171 N176 Q233 T234 L235D139-S231 WeakPolarHBondContact OD1-CB 3.45Å; D139-S231 WeakPolarHBondContact OD2-CB 3.28Å; G171-S231 PolarHBondContact O-N 3.4Å; N176-S231 PolarHBondContact ND2-OG 3.32Å; S231-Q233 PolarHBondContact O-N 3.01Å; S231-Q233 PolarHBondContact OG-N 2.9Å; S231-T234 WeakPolarHBondContact O-CB 3.31Å; S231-T234 PolarHBondContact O-N 3.47Å; S231-T234 VanDerWaalsContact O-N 3.11Å; S231-T234 PolarHBondContact OG-N 3.43Å; S231-T234 PolarHBondContact OG-OG1 3.27Å; S231-L235 PolarHBondContact O-N 3.47Å
232A98.2Very high95.6Very high63 Ų6343.2 Ų43.252%0.52125%0.253SS..Hα-helixtrans-58.4-38.2171.900000111.9L212 T234 L235 K236L212-A232 HydrophobicContact CD1-CB 3.99Å; A232-T234 VanDerWaalsContact C-N 3.31Å; A232-T234 PolarHBondContact O-N 2.74Å; A232-L235 PolarHBondContact O-N 3.01Å; A232-K236 WeakPolarHBondContact O-CB 3.4Å; A232-K236 PolarHBondContact O-N 2.96Å
233Q98.4Very high95.9Very high50 Ų5043.9 Ų43.923%0.23426%0.257CS..Hα-helixtrans-63-37.9176.2-177.268.37.100111.9W144 S231 L235 K236 L237W144-Q233 HydrophobicContact CD2-CG 4.4Å; W144-Q233 HydrophobicContact CE3-CB 4.46Å; W144-Q233 HydrophobicContact CE3-CG 3.88Å; W144-Q233 HydrophobicContact CH2-CB 3.27Å; W144-Q233 HydrophobicContact CH2-CG 3.61Å; W144-Q233 HydrophobicContact CZ2-CB 3.68Å; W144-Q233 HydrophobicContact CZ2-CG 4.09Å; W144-Q233 HydrophobicContact CZ3-CB 3.72Å; W144-Q233 HydrophobicContact CZ3-CG 3.48Å; W144-Q233 VanDerWaalsContact CZ3-CG 3.48Å; S231-Q233 PolarHBondContact O-N 3.01Å; S231-Q233 PolarHBondContact OG-N 2.9Å; Q233-L235 PolarHBondContact O-N 2.95Å; Q233-K236 PolarHBondContact O-N 3.28Å; Q233-L237 HydrophobicContact CG-CD1 3.97Å; Q233-L237 HydrophobicContact CG-CG 4.24Å; Q233-L237 WeakPolarHBondContact O-CB 3.1Å; Q233-L237 WeakPolarHBondContact O-CG 3.28Å; Q233-L237 PolarHBondContact O-N 3.07Å
234T98.6Very high96.5Very high0 Ų041.8 Ų41.80%024%0.239CC..Hα-helixtrans-59-49.7177.6-48.70000110.7G171 G172 M175 N176 L203 V230 S231 A232 L237 A238G171-T234 PolarHBondContact O-OG1 3.18Å; G172-T234 WeakPolarHBondContact CA-OG1 3.13Å; M175-T234 HydrophobicContact CE-CG2 3.34Å; M175-T234 VanDerWaalsContact CE-O 3.25Å; M175-T234 WeakPolarHBondContact CE-O 3.37Å; M175-T234 HydrophobicContact SD-CG2 4.12Å; N176-T234 WeakPolarHBondContact OD1-CA 3.26Å; N176-T234 PolarHBondContact OD1-N 3.19Å; N176-T234 PolarHBondContact OD1-OG1 3.35Å; L203-T234 HydrophobicContact CD1-CG2 3.75Å; V230-T234 HydrophobicContact CB-CG2 4.07Å; V230-T234 HydrophobicContact CG1-CG2 4.27Å; V230-T234 HydrophobicContact CG2-CG2 4.5Å; S231-T234 WeakPolarHBondContact O-CB 3.31Å; S231-T234 PolarHBondContact O-N 3.47Å; S231-T234 VanDerWaalsContact O-N 3.11Å; S231-T234 PolarHBondContact OG-N 3.43Å; S231-T234 PolarHBondContact OG-OG1 3.27Å; A232-T234 VanDerWaalsContact C-N 3.31Å; A232-T234 PolarHBondContact O-N 2.74Å; T234-L237 PolarHBondContact O-N 2.85Å; T234-A238 WeakPolarHBondContact O-CB 3.27Å; T234-A238 PolarHBondContact O-N 2.84Å
235L98.6Very high96.9Very high32 Ų3240.7 Ų40.717%0.16823%0.233CC..Hα-helixtrans-65.8-40.4178.7-179.762.3000111.8A206 M207 L212 S231 A232 Q233 A238 G239A206-L235 HydrophobicContact CB-CD1 4.14Å; M207-L235 HydrophobicContact CG-CD1 4.34Å; L212-L235 HydrophobicContact CD2-CB 4.01Å; L212-L235 HydrophobicContact CD2-CD2 4.04Å; L212-L235 HydrophobicContact CG-CD2 4.02Å; S231-L235 PolarHBondContact O-N 3.47Å; A232-L235 PolarHBondContact O-N 3.01Å; Q233-L235 PolarHBondContact O-N 2.95Å; L235-A238 PolarHBondContact O-N 3.06Å; L235-G239 PolarHBondContact O-N 2.91Å
236K98.5Very high97.1Very high112 Ų11241.6 Ų41.649%0.48724%0.237SC..Hα-helixtrans-57.5-52.2175.5179-177.4172.3-176.20111.1A232 Q233 A238 G239 E240A232-K236 WeakPolarHBondContact O-CB 3.4Å; A232-K236 PolarHBondContact O-N 2.96Å; Q233-K236 PolarHBondContact O-N 3.28Å; K236-A238 VanDerWaalsContact C-N 3.3Å; K236-A238 PolarHBondContact O-N 3.22Å; K236-G239 PolarHBondContact O-N 3.18Å; K236-E240 WeakPolarHBondContact CE-OE1 3.1Å; K236-E240 WeakPolarHBondContact CG-OE1 3.42Å; K236-E240 IonicContact NZ-OE1 2.81Å; K236-E240 WeakPolarHBondContact O-CG 3.27Å; K236-E240 PolarHBondContact O-N 3.39Å
237L98.3Very high97.5Very high1 Ų142.9 Ų42.91%0.00524%0.239CC..Hα-helixtrans-64.5-34.6-179.7-71177.8000112.4M175 N176 V179 R183 Q233 T234 G239 E240 H241M175-L237 HydrophobicContact CE-CB 4.49Å; N176-L237 HydrophobicContact CB-CD1 3.92Å; V179-L237 HydrophobicContact CB-CD1 4.27Å; V179-L237 HydrophobicContact CG1-CB 4.31Å; V179-L237 HydrophobicContact CG1-CD1 4.22Å; V179-L237 HydrophobicContact CG1-CD2 3.97Å; V179-L237 HydrophobicContact CG1-CG 4.4Å; R183-L237 VanDerWaalsContact NH1-CD2 3.29Å; Q233-L237 HydrophobicContact CG-CD1 3.97Å; Q233-L237 HydrophobicContact CG-CG 4.24Å; Q233-L237 WeakPolarHBondContact O-CB 3.1Å; Q233-L237 WeakPolarHBondContact O-CG 3.28Å; Q233-L237 PolarHBondContact O-N 3.07Å; T234-L237 PolarHBondContact O-N 2.85Å; L237-G239 PolarHBondContact O-N 2.86Å; L237-E240 PolarHBondContact O-N 3.42Å; L237-E240 VanDerWaalsContact O-N 3.12Å; L237-H241 WeakPolarHBondContact O-CB 3.48Å; L237-H241 PolarHBondContact O-N 2.77Å
238A97.5Very high97.9Very high12 Ų1240.8 Ų40.810%0.09923%0.228CC..Hα-helixtrans-63.8-22.5173.900000113.6M175 L203 M207 T234 L235 K236 V243M175-A238 HydrophobicContact CE-CB 4.24Å; L203-A238 HydrophobicContact CD1-CB 4.39Å; M207-A238 HydrophobicContact CE-CB 3.98Å; M207-A238 HydrophobicContact CG-CB 4.02Å; M207-A238 HydrophobicContact SD-CB 3.78Å; T234-A238 WeakPolarHBondContact O-CB 3.27Å; T234-A238 PolarHBondContact O-N 2.84Å; L235-A238 PolarHBondContact O-N 3.06Å; K236-A238 VanDerWaalsContact C-N 3.3Å; K236-A238 PolarHBondContact O-N 3.22Å; A238-V243 HydrophobicContact CB-CB 4.46Å; A238-V243 HydrophobicContact CB-CG2 4.48Å
239G96.8Very high98.2Very high71 Ų7140.7 Ų40.773%0.73223%0.228SC*.Hα-helixtrans-89.9-16.1172.500000114.7L235 K236 L237L235-G239 PolarHBondContact O-N 2.91Å; K236-G239 PolarHBondContact O-N 3.18Å; L237-G239 PolarHBondContact O-N 2.86Å
240E97.7Very high98.3Very high101 Ų10135.8 Ų35.847%0.47221%0.21SC..Hα-helixtrans-111.2-6.2-175.9-64.6176176.200113.7R183 K236 L237R183-E240 IonicContact CZ-OE2 3.46Å; R183-E240 IonicContact NH1-OE2 2.69Å; R183-E240 PolarHBondContact NH1-OE2 2.98Å; R183-E240 PolarHBondContact NH2-O 2.59Å; R183-E240 IonicContact NH2-OE2 3.69Å; R183-E240 PolarHBondContact NH2-OE2 2.88Å; K236-E240 WeakPolarHBondContact CE-OE1 3.1Å; K236-E240 WeakPolarHBondContact CG-OE1 3.42Å; K236-E240 IonicContact NZ-OE1 2.81Å; K236-E240 WeakPolarHBondContact O-CG 3.27Å; K236-E240 PolarHBondContact O-N 3.39Å; L237-E240 PolarHBondContact O-N 3.42Å; L237-E240 VanDerWaalsContact O-N 3.12Å
241H98.6Very high98.4Very high15 Ų1539.4 Ų39.47%0.06923%0.227CC..SBendtrans-134.3148.5-179.9-163.789.9000108.6V179 N188 V190 L237 V243V179-H241 HydrophobicContact CG1-CB 3.78Å; V179-H241 HydrophobicContact CG2-CB 4.41Å; N188-H241 PolarHBondContact O-CE1 3.47Å; V190-H241 PolarHBondContact O-NE2 2.85Å; L237-H241 WeakPolarHBondContact O-CB 3.48Å; L237-H241 PolarHBondContact O-N 2.77Å; H241-V243 HydrophobicContact CB-CG2 4.4Å; H241-V243 PolarHBondContact O-N 3.38Å
242T98.6Very high98.4Very high65 Ų6542.5 Ų42.540%0.39924%0.241SC..  trans-67.599.8177.1-56.10000109.8P191 V192 Y244P191-T242 WeakPolarHBondContact CA-O 3.35Å; P191-T242 HydrophobicContact CB-CG2 3.9Å; V192-T242 PolarHBondContact N-O 3.49Å; T242-Y244 HydrophobicContact CG2-CE1 4.31Å; T242-Y244 HydrophobicContact CG2-CE2 3.88Å; T242-Y244 WeakPolarHBondContact CG2-OH 3.44Å
243V98.7Very high98.4Very high15 Ų1539.5 Ų39.59%0.09122%0.216CC..EExtended strand (participates in β ladder)trans-118.1121.9178.1-179.70000109.9M175 V192 A194 M207 A238 H241M175-V243 HydrophobicContact SD-CG1 4.15Å; V192-V243 HydrophobicContact CB-CG2 4.32Å; V192-V243 CarbonylContact O-C 3.59Å; V192-V243 VanDerWaalsContact O-CA 3.31Å; V192-V243 WeakPolarHBondContact O-CA 3.01Å; A194-V243 HydrophobicContact CB-CG1 3.7Å; M207-V243 HydrophobicContact CE-CB 4.43Å; M207-V243 HydrophobicContact CE-CG1 4.49Å; M207-V243 HydrophobicContact SD-CG1 4.38Å; A238-V243 HydrophobicContact CB-CB 4.46Å; A238-V243 HydrophobicContact CB-CG2 4.48Å; H241-V243 HydrophobicContact CB-CG2 4.4Å; H241-V243 PolarHBondContact O-N 3.38Å
244Y98.8Very high98.4Very high46 Ų4637.1 Ų37.118%0.1821%0.205CC..EExtended strand (participates in β ladder)trans-95.9104.4169.3-58.3-60.6000109.1P191 V192 A194 T242 E246 L287 K292 L293P191-Y244 HydrophobicContact CB-CD2 4.06Å; P191-Y244 HydrophobicContact CB-CE2 3.57Å; P191-Y244 HydrophobicContact CG-CE2 4.4Å; V192-Y244 PolarHBondContact O-N 3.01Å; A194-Y244 PolarHBondContact N-O 3.01Å; T242-Y244 HydrophobicContact CG2-CE1 4.31Å; T242-Y244 HydrophobicContact CG2-CE2 3.88Å; T242-Y244 WeakPolarHBondContact CG2-OH 3.44Å; Y244-E246 PolarHBondContact O-N 3.47Å; Y244-L287 HydrophobicContact CD2-CD1 4.42Å; Y244-L287 HydrophobicContact CG-CD1 4.42Å; Y244-L287 HydrophobicContact CG-CD2 4.49Å; Y244-K292 HydrophobicContact CD1-CB 4.29Å; Y244-K292 HydrophobicContact CD1-CD 3.98Å; Y244-K292 HydrophobicContact CD1-CG 4.4Å; Y244-K292 HydrophobicContact CE1-CB 3.7Å; Y244-K292 HydrophobicContact CE1-CD 3.96Å; Y244-K292 HydrophobicContact CE1-CG 3.88Å; Y244-K292 HydrophobicContact CE2-CB 4.44Å; Y244-K292 PolarHBondContact OH-O 2.86Å; Y244-L293 HydrophobicContact CD2-CD2 4.15Å; Y244-L293 HydrophobicContact CE2-CD2 3.67Å; Y244-L293 HydrophobicContact CE2-CG 4.29Å
245S98.7Very high98.4Very high18 Ų1842.9 Ų42.913%0.12623%0.23CC..EExtended strand (participates in β ladder)trans-81.9112.3174.2174.30000110A194 N204 M207A194-S245 WeakPolarHBondContact O-CA 3.35Å; N204-S245 VanDerWaalsContact CA-OG 3.28Å; N204-S245 WeakPolarHBondContact CA-OG 3.48Å; N204-S245 VanDerWaalsContact CB-OG 3.28Å; N204-S245 WeakPolarHBondContact CB-OG 3.46Å; N204-S245 PolarHBondContact ND2-O 3.34Å; N204-S245 PolarHBondContact ND2-OG 3.48Å; M207-S245 VanDerWaalsContact SD-CB 3.57Å
246E98.8Very high98.4Very high22 Ų2241.4 Ų41.410%0.10322%0.223CC..EExtended strand (participates in β ladder)trans-124.1142.9-173.3-65.6-58.7158.200111.1I193 A194 M195 E196 Y244 I283 R286 L287I193-E246 HydrophobicContact CG2-CG 4.21Å; A194-E246 PolarHBondContact O-N 2.86Å; M195-E246 WeakPolarHBondContact CA-O 3.3Å; M195-E246 HydrophobicContact CE-CB 4.21Å; M195-E246 HydrophobicContact SD-CB 3.68Å; E196-E246 PolarHBondContact N-O 3.02Å; Y244-E246 PolarHBondContact O-N 3.47Å; E246-I283 HydrophobicContact CB-CG2 4.11Å; E246-I283 HydrophobicContact CG-CG2 3.89Å; E246-R286 VanDerWaalsContact CD-NH2 3.32Å; E246-R286 IonicContact OE1-NH2 3.73Å; E246-R286 IonicContact OE2-CZ 3.55Å; E246-R286 IonicContact OE2-NH1 3.45Å; E246-R286 IonicContact OE2-NH2 3.84Å; E246-R286 PolarHBondContact OE2-NH2 3.44Å; E246-L287 HydrophobicContact CG-CD1 4.38Å; E246-L287 WeakPolarHBondContact OE1-CD2 3.41Å
247L98.7Very high98.4Very high49 Ų4936.1 Ų36.126%0.25720%0.2SC..EExtended strand (participates in β ladder)trans-114.7141.7-174.9-58.9-173.5000111E196 V198 H201 N204E196-L247 HydrophobicContact CB-CD2 3.76Å; E196-L247 WeakPolarHBondContact O-CA 3.35Å; V198-L247 HydrophobicContact CG2-CB 4.27Å; V198-L247 HydrophobicContact CG2-CD1 4.5Å; H201-L247 HydrophobicContact CB-CD1 4.19Å; H201-L247 HydrophobicContact CB-CD2 3.47Å; H201-L247 VanDerWaalsContact CB-CD2 3.47Å; H201-L247 HydrophobicContact CB-CG 4.5Å; N204-L247 HydrophobicContact CB-CD1 4.36Å; N204-L247 HydrophobicContact CB-CD2 3.81Å; N204-L247 HydrophobicContact CB-CG 4.33Å
248V98.8Very high98.4Very high2 Ų238.1 Ų38.11%0.01221%0.209CC..EExtended strand (participates in β ladder)trans-128.5158.9167.7-63.50000110.2M195 E196 T197 V198 E252 A253 A274 A277M195-V248 HydrophobicContact CE-CG1 3.72Å; E196-V248 PolarHBondContact O-N 3.22Å; T197-V248 CarbonylContact C-O 3.53Å; T197-V248 WeakPolarHBondContact CA-O 3.18Å; T197-V248 HydrophobicContact CG2-CG2 4.29Å; V198-V248 PolarHBondContact N-O 2.85Å; V248-E252 HydrophobicContact CB-CB 4.05Å; V248-A253 HydrophobicContact CG2-CB 4.44Å; V248-A274 HydrophobicContact CG2-CB 4.13Å; V248-A277 HydrophobicContact CB-CB 4.3Å; V248-A277 HydrophobicContact CG1-CB 3.83Å; V248-A277 HydrophobicContact CG2-CB 4.09Å
249T98.8Very high98.4Very high54 Ų5441.3 Ų41.333%0.33122%0.219SC..  trans-74.3161.6171.760.70000111Q251 E252 A253T249-Q251 PolarHBondContact O-N 3.04Å; T249-E252 WeakPolarHBondContact CB-OE2 3.37Å; T249-E252 PolarHBondContact N-OE2 3.38Å; T249-E252 PolarHBondContact O-N 2.72Å; T249-E252 WeakPolarHBondContact OG1-CB 3.45Å; T249-E252 VanDerWaalsContact OG1-CG 3.24Å; T249-E252 WeakPolarHBondContact OG1-CG 3.41Å; T249-E252 PolarHBondContact OG1-N 3.01Å; T249-E252 PolarHBondContact OG1-OE2 3.03Å; T249-A253 PolarHBondContact O-N 2.98Å
250D98.6Very high98.5Very high16 Ų1638 Ų389%0.08618%0.184CC..Hα-helixtrans-60.3-36.1171.7-80.8-14.7000112.3T197 S220 I221 A253 V254 L322T197-D250 WeakPolarHBondContact CB-OD1 3.24Å; S220-D250 VanDerWaalsContact CA-OD2 3.27Å; S220-D250 WeakPolarHBondContact CA-OD2 3.34Å; S220-D250 WeakPolarHBondContact CB-OD1 3.5Å; S220-D250 PolarHBondContact OG-OD1 2.93Å; I221-D250 HydrophobicContact CD1-CB 4.34Å; I221-D250 HydrophobicContact CG1-CB 3.66Å; I221-D250 WeakPolarHBondContact CG1-OD2 3.44Å; I221-D250 PolarHBondContact N-OD2 2.98Å; D250-A253 PolarHBondContact O-N 3.08Å; D250-V254 WeakPolarHBondContact O-CB 3.34Å; D250-V254 WeakPolarHBondContact O-CG2 3.42Å; D250-V254 PolarHBondContact O-N 2.78Å; D250-L322 HydrophobicContact CB-CD1 4.02Å; D250-L322 HydrophobicContact CB-CD2 3.74Å
251Q98.5Very high98.6Very high81 Ų8134.6 Ų34.638%0.37917%0.17SC..Hα-helixtrans-60.5-44.7175.2-73.277.72.100111.4T249 V254 K255 L322 M324T249-Q251 PolarHBondContact O-N 3.04Å; Q251-V254 PolarHBondContact O-N 2.72Å; Q251-K255 WeakPolarHBondContact O-CB 3.43Å; Q251-K255 PolarHBondContact O-N 3.4Å; Q251-L322 HydrophobicContact CG-CB 4.13Å; Q251-L322 PolarHBondContact NE2-O 3.18Å; Q251-M324 HydrophobicContact CB-SD 4.4Å; Q251-M324 HydrophobicContact CG-CG 4.15Å; Q251-M324 HydrophobicContact CG-SD 4.39Å; Q251-M324 WeakPolarHBondContact O-CE 3.49Å
252E98.6Very high98.5Very high68 Ų6839 Ų3932%0.31819%0.194SC..Hα-helixtrans-65.7-44.3177.1-75166.8132.500111.7V248 T249 V254 K255 A256V248-E252 HydrophobicContact CB-CB 4.05Å; T249-E252 WeakPolarHBondContact CB-OE2 3.37Å; T249-E252 PolarHBondContact N-OE2 3.38Å; T249-E252 PolarHBondContact O-N 2.72Å; T249-E252 WeakPolarHBondContact OG1-CB 3.45Å; T249-E252 VanDerWaalsContact OG1-CG 3.24Å; T249-E252 WeakPolarHBondContact OG1-CG 3.41Å; T249-E252 PolarHBondContact OG1-N 3.01Å; T249-E252 PolarHBondContact OG1-OE2 3.03Å; E252-V254 PolarHBondContact O-N 2.55Å; E252-K255 PolarHBondContact O-N 3.47Å; E252-A256 WeakPolarHBondContact O-CB 3.4Å; E252-A256 PolarHBondContact O-N 2.92Å
253A98.7Very high98.5Very high0 Ų038.9 Ų38.90%019%0.191CC..Hα-helixtrans-60.8-43.4175.800000111.9T197 V248 T249 D250 A256 V257 G273 A274T197-A253 HydrophobicContact CG2-CB 3.83Å; V248-A253 HydrophobicContact CG2-CB 4.44Å; T249-A253 PolarHBondContact O-N 2.98Å; D250-A253 PolarHBondContact O-N 3.08Å; A253-A256 WeakPolarHBondContact O-CB 3.43Å; A253-A256 PolarHBondContact O-N 3.31Å; A253-V257 WeakPolarHBondContact O-CG2 3.48Å; A253-V257 PolarHBondContact O-N 3.1Å; A253-V257 VanDerWaalsContact O-N 3.08Å; A253-G273 WeakPolarHBondContact O-CA 2.82Å; A253-A274 HydrophobicContact CB-CB 4.46Å
254V98.5Very high98.5Very high0 Ų039.2 Ų39.20%019%0.192CC..Hα-helixtrans-70.4-37.6177.5171.30000112I221 D250 Q251 E252 A256 V257 E258 P270 L315 L318 K319 L322 M324I221-V254 HydrophobicContact CD1-CG2 3.45Å; I221-V254 VanDerWaalsContact CD1-CG2 3.45Å; D250-V254 WeakPolarHBondContact O-CB 3.34Å; D250-V254 WeakPolarHBondContact O-CG2 3.42Å; D250-V254 PolarHBondContact O-N 2.78Å; Q251-V254 PolarHBondContact O-N 2.72Å; E252-V254 PolarHBondContact O-N 2.55Å; V254-A256 VanDerWaalsContact C-N 3.29Å; V254-A256 PolarHBondContact O-N 3.04Å; V254-V257 WeakPolarHBondContact O-CB 3.49Å; V254-V257 PolarHBondContact O-N 3.3Å; V254-E258 PolarHBondContact O-N 3.37Å; V254-P270 HydrophobicContact CG2-CB 4.46Å; V254-P270 HydrophobicContact CG2-CG 4.31Å; V254-L315 HydrophobicContact CG1-CD1 3.84Å; V254-L318 HydrophobicContact CG2-CB 4.25Å; V254-L318 HydrophobicContact CG2-CD1 4.47Å; V254-K319 HydrophobicContact CG1-CG 3.86Å; V254-L322 HydrophobicContact CB-CD1 4.05Å; V254-L322 HydrophobicContact CG2-CD1 3.64Å; V254-M324 HydrophobicContact CB-CE 4.25Å; V254-M324 HydrophobicContact CB-SD 3.93Å; V254-M324 HydrophobicContact CG1-CE 3.97Å; V254-M324 HydrophobicContact CG1-SD 3.68Å
255K98.3Very high98.5Very high121 Ų12144.3 Ų44.353%0.52622%0.215SC..Hα-helixtrans-64.2-36.9173.9-172176.3-177.7-179.30111.3Q251 E252 E258 R259 M324Q251-K255 WeakPolarHBondContact O-CB 3.43Å; Q251-K255 PolarHBondContact O-N 3.4Å; E252-K255 PolarHBondContact O-N 3.47Å; K255-E258 PolarHBondContact O-N 3.26Å; K255-R259 WeakPolarHBondContact O-CG 3.18Å; K255-R259 PolarHBondContact O-N 2.8Å; K255-M324 HydrophobicContact CB-CE 3.91Å
256A98.6Very high98.4Very high1 Ų144.9 Ų44.91%0.00822%0.217CC..Hα-helixtrans-63.9-39.3172.700000111.8E252 A253 V254 F260 G273 L276 A277 Y280E252-A256 WeakPolarHBondContact O-CB 3.4Å; E252-A256 PolarHBondContact O-N 2.92Å; A253-A256 WeakPolarHBondContact O-CB 3.43Å; A253-A256 PolarHBondContact O-N 3.31Å; V254-A256 VanDerWaalsContact C-N 3.29Å; V254-A256 PolarHBondContact O-N 3.04Å; A256-F260 WeakPolarHBondContact O-CB 3.46Å; A256-F260 PolarHBondContact O-N 3.3Å; A256-G273 VanDerWaalsContact CB-O 3.32Å; A256-G273 WeakPolarHBondContact CB-O 3.31Å; A256-L276 HydrophobicContact CB-CB 4.09Å; A256-A277 HydrophobicContact CB-CB 4.26Å; A256-Y280 HydrophobicContact CB-CD2 3.75Å; A256-Y280 HydrophobicContact CB-CE2 4.48Å
257V98.6Very high98.4Very high0 Ų046.2 Ų46.20%023%0.225CC..Hα-helixtrans-59.7-47.1172.7173.40000111.3A253 V254 F260 V261 L267 V268 L315A253-V257 WeakPolarHBondContact O-CG2 3.48Å; A253-V257 PolarHBondContact O-N 3.1Å; A253-V257 VanDerWaalsContact O-N 3.08Å; V254-V257 WeakPolarHBondContact O-CB 3.49Å; V254-V257 PolarHBondContact O-N 3.3Å; V257-F260 PolarHBondContact O-N 3.34Å; V257-V261 PolarHBondContact O-N 3.13Å; V257-V261 VanDerWaalsContact O-N 3.08Å; V257-L267 HydrophobicContact CG1-CD1 3.84Å; V257-V268 WeakPolarHBondContact CG1-O 3.48Å; V257-V268 HydrophobicContact CG2-CG2 4.16Å; V257-V268 WeakPolarHBondContact CG2-O 3.47Å; V257-L315 HydrophobicContact CB-CD1 4.42Å; V257-L315 HydrophobicContact CG1-CD1 3.97Å; V257-L315 HydrophobicContact CG1-CD2 4.4Å
258E98.1Very high98.4Very high43 Ų4343.9 Ų43.920%0.20121%0.213CC..Hα-helixtrans-62-49179.5178.8165.4-132.600112V254 K255 F260 V261 D262 K319V254-E258 PolarHBondContact O-N 3.37Å; K255-E258 PolarHBondContact O-N 3.26Å; E258-F260 VanDerWaalsContact C-N 3.31Å; E258-F260 PolarHBondContact O-N 3.22Å; E258-V261 WeakPolarHBondContact O-CG1 3.48Å; E258-V261 PolarHBondContact O-N 2.81Å; E258-D262 PolarHBondContact O-N 2.83Å; E258-K319 IonicContact OE1-NZ 3.37Å; E258-K319 PolarHBondContact OE1-NZ 2.97Å; E258-K319 IonicContact OE2-NZ 2.88Å; E258-K319 PolarHBondContact OE2-NZ 3.31Å
259R98.1Very high98.4Very high80 Ų8044 Ų4430%0.30221%0.213SC..Hα-helixtrans-62.7-39.6176.8-69.3177.767.8-179.62.8112.2K255 D262 D263 Y280K255-R259 WeakPolarHBondContact O-CG 3.18Å; K255-R259 PolarHBondContact O-N 2.8Å; R259-D262 CarbonylContact O-C 3.47Å; R259-D262 PolarHBondContact O-N 3.35Å; R259-D263 WeakPolarHBondContact O-CB 3.33Å; R259-D263 VanDerWaalsContact O-CG 3.3Å; R259-D263 PolarHBondContact O-N 3.24Å; R259-Y280 HydrophobicContact CB-CD1 4.46Å; R259-Y280 HydrophobicContact CB-CE1 4Å; R259-Y280 HydrophobicContact CB-CE2 4.14Å; R259-Y280 PolarHBondContact NH1-O 3.43Å
260F98.6Very high98.4Very high0 Ų042 Ų420%020%0.201CC..Hα-helixtrans-69.1-36.6-176.9-169.9-111000113.2L21 L31 A256 V257 E258 D262 D263 E264 V266 V268 L276 Y280 V304L21-F260 HydrophobicContact CD1-CD2 4.49Å; L31-F260 HydrophobicContact CD1-CE2 3.72Å; L31-F260 HydrophobicContact CD1-CZ 4.05Å; L31-F260 HydrophobicContact CD2-CE2 4.23Å; A256-F260 WeakPolarHBondContact O-CB 3.46Å; A256-F260 PolarHBondContact O-N 3.3Å; V257-F260 PolarHBondContact O-N 3.34Å; E258-F260 VanDerWaalsContact C-N 3.31Å; E258-F260 PolarHBondContact O-N 3.22Å; F260-D262 VanDerWaalsContact C-N 3.28Å; F260-D262 PolarHBondContact O-N 3.25Å; F260-D263 PolarHBondContact O-N 3.49Å; F260-E264 HydrophobicContact CD2-CB 4.09Å; F260-E264 HydrophobicContact CD2-CG 3.86Å; F260-E264 HydrophobicContact CE1-CB 4.33Å; F260-E264 HydrophobicContact CE2-CB 3.78Å; F260-E264 HydrophobicContact CE2-CG 3.49Å; F260-E264 VanDerWaalsContact CE2-CG 3.49Å; F260-E264 HydrophobicContact CZ-CB 3.89Å; F260-E264 HydrophobicContact CZ-CG 4.05Å; F260-E264 WeakPolarHBondContact O-CB 3.33Å; F260-E264 PolarHBondContact O-N 3.06Å; F260-V266 HydrophobicContact CD1-CB 4.37Å; F260-V266 VanDerWaalsContact CD1-O 3.28Å; F260-V266 WeakPolarHBondContact CD1-O 3.4Å; F260-V266 HydrophobicContact CE1-CB 3.81Å; F260-V266 HydrophobicContact CE1-CG1 4.17Å; F260-V268 HydrophobicContact CD1-CG1 4.05Å; F260-V268 HydrophobicContact CD1-CG2 4.03Å; F260-V268 HydrophobicContact CE1-CG1 3.91Å; F260-L276 HydrophobicContact CB-CD1 3.74Å; F260-L276 HydrophobicContact CD1-CD1 3.71Å; F260-L276 HydrophobicContact CD2-CD1 3.8Å; F260-L276 HydrophobicContact CD2-CD2 3.53Å; F260-L276 HydrophobicContact CD2-CG 4.29Å; F260-L276 HydrophobicContact CE1-CD1 4.22Å; F260-L276 HydrophobicContact CE2-CD1 4.28Å; F260-L276 HydrophobicContact CE2-CD2 3.52Å; F260-L276 HydrophobicContact CG-CD1 3.48Å; F260-L276 VanDerWaalsContact CG-CD1 3.48Å; F260-L276 HydrophobicContact CG-CD2 4.13Å; F260-L276 HydrophobicContact CG-CG 4.44Å; F260-L276 HydrophobicContact CZ-CD1 4.49Å; F260-L276 HydrophobicContact CZ-CD2 4.14Å; F260-Y280 WeakPolarHBondContact CA-OH 3.34Å; F260-Y280 HydrophobicContact CB-CE2 4.14Å; F260-Y280 HydrophobicContact CD2-CE2 4.45Å; F260-Y280 PolarHBondContact N-OH 3.33Å; F260-V304 HydrophobicContact CE1-CG1 3.75Å; F260-V304 HydrophobicContact CZ-CG1 3.81Å; F260-V304 HydrophobicContact CZ-CG2 3.92Å
261V98.4Very high98.3Very high30 Ų3041.3 Ų41.318%0.18220%0.198CC..Hα-helixtrans-66.3-35.3173.366.60000110.8V257 E258 K265 L267V257-V261 PolarHBondContact O-N 3.13Å; V257-V261 VanDerWaalsContact O-N 3.08Å; E258-V261 WeakPolarHBondContact O-CG1 3.48Å; E258-V261 PolarHBondContact O-N 2.81Å; V261-K265 WeakPolarHBondContact O-CA 3.47Å; V261-K265 PolarHBondContact O-N 3.47Å; V261-L267 HydrophobicContact CB-CD1 4.41Å; V261-L267 HydrophobicContact CG2-CB 4.26Å
262D98.1Very high98.3Very high109 Ų10937.5 Ų37.558%0.58318%0.18SC*.Hα-helixtrans-74.6-33.1176.4-73.9-17.1000113.5E258 R259 F260 K265E258-D262 PolarHBondContact O-N 2.83Å; R259-D262 CarbonylContact O-C 3.47Å; R259-D262 PolarHBondContact O-N 3.35Å; F260-D262 VanDerWaalsContact C-N 3.28Å; F260-D262 PolarHBondContact O-N 3.25Å; D262-K265 PolarHBondContact O-NZ 2.99Å
263D98.2Very high98.4Very high61 Ų6134.2 Ų34.233%0.32617%0.165SC..Hα-helixtrans-80.3-56.1178.6-70.8-26.9000110.4A20 R259 F260 K265 Y280A20-D263 HydrophobicContact CB-CB 3.94Å; R259-D263 WeakPolarHBondContact O-CB 3.33Å; R259-D263 VanDerWaalsContact O-CG 3.3Å; R259-D263 PolarHBondContact O-N 3.24Å; F260-D263 PolarHBondContact O-N 3.49Å; D263-K265 PolarHBondContact O-NZ 3.05Å; D263-Y280 WeakPolarHBondContact OD2-CE1 3.42Å; D263-Y280 PolarHBondContact OD2-OH 3.49Å
264E98.4Very high98.4Very high22 Ų2234.2 Ų34.210%0.10317%0.165CC..Hα-helixtrans-106.3-4.4-164.9-65.9-64.4155.100114.4R16 S18 L21 L31 F260 V266R16-E264 WeakPolarHBondContact CD-OE2 3.38Å; R16-E264 IonicContact CZ-OE2 3.73Å; R16-E264 IonicContact NE-OE2 3.25Å; R16-E264 PolarHBondContact NH1-O 3.38Å; R16-E264 IonicContact NH1-OE2 2.75Å; R16-E264 PolarHBondContact NH1-OE2 3.2Å; S18-E264 VanDerWaalsContact CB-OE1 3.23Å; S18-E264 WeakPolarHBondContact CB-OE1 3.36Å; S18-E264 PolarHBondContact OG-OE1 3.39Å; L21-E264 HydrophobicContact CD1-CG 4.44Å; L31-E264 HydrophobicContact CD1-CG 3.7Å; F260-E264 HydrophobicContact CD2-CB 4.09Å; F260-E264 HydrophobicContact CD2-CG 3.86Å; F260-E264 HydrophobicContact CE1-CB 4.33Å; F260-E264 HydrophobicContact CE2-CB 3.78Å; F260-E264 HydrophobicContact CE2-CG 3.49Å; F260-E264 VanDerWaalsContact CE2-CG 3.49Å; F260-E264 HydrophobicContact CZ-CB 3.89Å; F260-E264 HydrophobicContact CZ-CG 4.05Å; F260-E264 WeakPolarHBondContact O-CB 3.33Å; F260-E264 PolarHBondContact O-N 3.06Å; E264-V266 PolarHBondContact O-N 3.11Å
265K98.1Very high98.4Very high154 Ų15434.2 Ų34.267%0.6717%0.165SC*.SBendtrans62.427.6179.1-48.1-60177.5-70.90113.8V261 D262 D263V261-K265 WeakPolarHBondContact O-CA 3.47Å; V261-K265 PolarHBondContact O-N 3.47Å; D262-K265 PolarHBondContact O-NZ 2.99Å; D263-K265 PolarHBondContact O-NZ 3.05Å
266V98.1Very high98.4Very high29 Ų2928.5 Ų28.518%0.17614%0.14CC..  trans-122118.4177.2-178.50000109.1F260 E264 V268F260-V266 HydrophobicContact CD1-CB 4.37Å; F260-V266 VanDerWaalsContact CD1-O 3.28Å; F260-V266 WeakPolarHBondContact CD1-O 3.4Å; F260-V266 HydrophobicContact CE1-CB 3.81Å; F260-V266 HydrophobicContact CE1-CG1 4.17Å; E264-V266 PolarHBondContact O-N 3.11Å; V266-V268 HydrophobicContact CG1-CG1 3.78Å
267L98.5Very high98.4Very high50 Ų5028.4 Ų28.426%0.26214%0.139SC..  trans-83.1129172.4-175.864.5000109.9V257 V261 I310 M312 L315V257-L267 HydrophobicContact CG1-CD1 3.84Å; V261-L267 HydrophobicContact CB-CD1 4.41Å; V261-L267 HydrophobicContact CG2-CB 4.26Å; L267-I310 HydrophobicContact CD1-CG1 4.11Å; L267-I310 HydrophobicContact CD2-CG1 4.16Å; L267-I310 HydrophobicContact CD2-CG2 4.27Å; L267-I310 HydrophobicContact CG-CG1 4.01Å; L267-I310 HydrophobicContact CG-CG2 3.97Å; L267-M312 HydrophobicContact CD2-SD 4.31Å; L267-L315 HydrophobicContact CD1-CD2 4.11Å
268V98.6Very high98.4Very high0 Ų028.4 Ų28.40%014%0.139CC..  trans-131.7161.5-176.5-58.70000112V257 F260 V266 C272 L276 V304V257-V268 WeakPolarHBondContact CG1-O 3.48Å; V257-V268 HydrophobicContact CG2-CG2 4.16Å; V257-V268 WeakPolarHBondContact CG2-O 3.47Å; F260-V268 HydrophobicContact CD1-CG1 4.05Å; F260-V268 HydrophobicContact CD1-CG2 4.03Å; F260-V268 HydrophobicContact CE1-CG1 3.91Å; V266-V268 HydrophobicContact CG1-CG1 3.78Å; V268-C272 HydrophobicContact CB-CB 3.68Å; V268-C272 HydrophobicContact CG1-CB 4.47Å; V268-C272 HydrophobicContact CG2-CB 3.72Å; V268-L276 HydrophobicContact CG2-CD1 3.82Å; V268-V304 HydrophobicContact CG1-CG1 3.97Å
269E97.8Very high98.4Very high6 Ų626.4 Ų26.43%0.02813%0.13CC..  trans-70.9160.3177.8-77.2-179.8-148.100112.4N69 T224 A271 C272 G273 G306 G307 N308 N309 I310N69-E269 PolarHBondContact ND2-OE1 3.28Å; N69-E269 PolarHBondContact ND2-OE2 2.93Å; N69-E269 PolarHBondContact OD1-OE1 2.99Å; T224-E269 WeakPolarHBondContact CB-OE2 3.32Å; T224-E269 PolarHBondContact OG1-OE2 3.06Å; E269-A271 PolarHBondContact O-N 3.01Å; E269-A271 VanDerWaalsContact O-N 3.13Å; E269-C272 WeakPolarHBondContact O-CA 3.37Å; E269-C272 WeakPolarHBondContact O-CB 3.2Å; E269-C272 PolarHBondContact O-N 3.44Å; E269-G273 PolarHBondContact O-N 2.86Å; E269-G306 PolarHBondContact N-O 3.09Å; E269-G307 WeakPolarHBondContact OE1-CA 3.38Å; E269-N308 PolarHBondContact OE1-N 2.89Å; E269-N309 HydrophobicContact CG-CB 4.41Å; E269-N309 WeakPolarHBondContact OE1-CB 3.34Å; E269-N309 PolarHBondContact OE1-N 2.88Å; E269-I310 HydrophobicContact CG-CB 4.11Å; E269-I310 HydrophobicContact CG-CG2 4.22Å
270P98.3Very high98.5Very high10 Ų1023.3 Ų23.37%0.06512%0.118CC..Hα-helixtrans-53.9-31.7172.2-27.235.6000114I221 A222 V254 C272 G273 A274 L318I221-P270 HydrophobicContact CD1-CB 4.09Å; I221-P270 HydrophobicContact CD1-CG 3.94Å; A222-P270 HydrophobicContact CB-CB 3.95Å; V254-P270 HydrophobicContact CG2-CB 4.46Å; V254-P270 HydrophobicContact CG2-CG 4.31Å; P270-C272 VanDerWaalsContact C-N 3.3Å; P270-C272 PolarHBondContact O-N 2.91Å; P270-G273 CarbonylContact O-C 3.57Å; P270-G273 WeakPolarHBondContact O-CA 3.3Å; P270-G273 PolarHBondContact O-N 3.38Å; P270-G273 VanDerWaalsContact O-N 3.12Å; P270-A274 PolarHBondContact O-N 3.19Å; P270-L318 HydrophobicContact CG-CD1 3.58Å
271A98.2Very high98.4Very high3 Ų325 Ų253%0.02513%0.13CC..Hα-helixtrans-61.1-37.2173.200000112.8S168 T224 L225 E269S168-A271 WeakPolarHBondContact CB-O 3.42Å; S168-A271 PolarHBondContact OG-O 3.16Å; T224-A271 HydrophobicContact CG2-CB 4.09Å; L225-A271 HydrophobicContact CD1-CB 4.37Å; L225-A271 HydrophobicContact CD2-CB 3.65Å; L225-A271 HydrophobicContact CG-CB 3.66Å; E269-A271 PolarHBondContact O-N 3.01Å; E269-A271 VanDerWaalsContact O-N 3.13Å
272C98.8Very high98.4Very high0 Ų027.9 Ų27.90%014%0.144CC..Hα-helixtrans-75.7-35.9171.9-169.50000111.1V268 E269 P270 A274 A275 L276 C305V268-C272 HydrophobicContact CB-CB 3.68Å; V268-C272 HydrophobicContact CG1-CB 4.47Å; V268-C272 HydrophobicContact CG2-CB 3.72Å; E269-C272 WeakPolarHBondContact O-CA 3.37Å; E269-C272 WeakPolarHBondContact O-CB 3.2Å; E269-C272 PolarHBondContact O-N 3.44Å; P270-C272 VanDerWaalsContact C-N 3.3Å; P270-C272 PolarHBondContact O-N 2.91Å; C272-A274 PolarHBondContact O-N 3.2Å; C272-A275 WeakPolarHBondContact O-CB 3.46Å; C272-A275 PolarHBondContact O-N 2.86Å; C272-L276 WeakPolarHBondContact O-CG 3.25Å; C272-L276 PolarHBondContact O-N 2.92Å; C272-C305 WeakPolarHBondContact CA-SG 3.44Å; C272-C305 WeakPolarHBondContact CB-SG 3.44Å; C272-C305 PolarHBondContact SG-N 2.95Å; C272-C305 VanDerWaalsContact SG-N 3.45Å
273G98.8Very high98.4Very high0 Ų023.3 Ų23.30%012%0.119CC..Hα-helixtrans-52.8-39.4170.800000113A253 A256 E269 P270 A275 L276 A277A253-G273 WeakPolarHBondContact O-CA 2.82Å; A256-G273 VanDerWaalsContact CB-O 3.32Å; A256-G273 WeakPolarHBondContact CB-O 3.31Å; E269-G273 PolarHBondContact O-N 2.86Å; P270-G273 CarbonylContact O-C 3.57Å; P270-G273 WeakPolarHBondContact O-CA 3.3Å; P270-G273 PolarHBondContact O-N 3.38Å; P270-G273 VanDerWaalsContact O-N 3.12Å; G273-A275 VanDerWaalsContact C-N 3.34Å; G273-A275 PolarHBondContact O-N 3.37Å; G273-L276 PolarHBondContact O-N 3.37Å; G273-A277 WeakPolarHBondContact O-CB 3.21Å; G273-A277 PolarHBondContact O-N 2.87Å
274A98.9Very high98.3Very high0 Ų020.4 Ų20.40%010%0.104CC..Hα-helixtrans-60.2-41175.100000112.8M195 T197 L225 V248 A253 P270 C272 A277M195-A274 HydrophobicContact CB-CB 4.45Å; M195-A274 VanDerWaalsContact CB-O 3.29Å; M195-A274 WeakPolarHBondContact CB-O 3.41Å; M195-A274 WeakPolarHBondContact CE-O 3.36Å; M195-A274 WeakPolarHBondContact CG-O 3.4Å; T197-A274 HydrophobicContact CG2-CB 4.15Å; L225-A274 HydrophobicContact CD1-CB 4Å; V248-A274 HydrophobicContact CG2-CB 4.13Å; A253-A274 HydrophobicContact CB-CB 4.46Å; P270-A274 PolarHBondContact O-N 3.19Å; C272-A274 PolarHBondContact O-N 3.2Å; A274-A277 PolarHBondContact O-N 2.9Å
275A98.9Very high98.2Very high0 Ų020.5 Ų20.50%011%0.106CC..Hα-helixtrans-65.4-45.5174.400000111.3V166 C272 G273 A277 A278 I302V166-A275 HydrophobicContact CG1-CB 4.4Å; V166-A275 VanDerWaalsContact CG1-O 3.29Å; V166-A275 WeakPolarHBondContact CG1-O 3.35Å; C272-A275 WeakPolarHBondContact O-CB 3.46Å; C272-A275 PolarHBondContact O-N 2.86Å; G273-A275 VanDerWaalsContact C-N 3.34Å; G273-A275 PolarHBondContact O-N 3.37Å; A275-A277 VanDerWaalsContact C-N 3.26Å; A275-A277 PolarHBondContact O-N 3.16Å; A275-A278 WeakPolarHBondContact O-CB 3.47Å; A275-A278 PolarHBondContact O-N 3.31Å; A275-A278 VanDerWaalsContact O-N 3.12Å; A275-I302 HydrophobicContact CB-CG2 4.25Å
276L98.9Very high98.2Very high0 Ų016.9 Ų16.90%09%0.089CC..Hα-helixtrans-64.4-30.5179-67.6164.3000112.8L21 A256 F260 V268 C272 G273 A278 V279 Y280 I302L21-L276 HydrophobicContact CD2-CD2 4.19Å; A256-L276 HydrophobicContact CB-CB 4.09Å; F260-L276 HydrophobicContact CB-CD1 3.74Å; F260-L276 HydrophobicContact CD1-CD1 3.71Å; F260-L276 HydrophobicContact CD2-CD1 3.8Å; F260-L276 HydrophobicContact CD2-CD2 3.53Å; F260-L276 HydrophobicContact CD2-CG 4.29Å; F260-L276 HydrophobicContact CE1-CD1 4.22Å; F260-L276 HydrophobicContact CE2-CD1 4.28Å; F260-L276 HydrophobicContact CE2-CD2 3.52Å; F260-L276 HydrophobicContact CG-CD1 3.48Å; F260-L276 VanDerWaalsContact CG-CD1 3.48Å; F260-L276 HydrophobicContact CG-CD2 4.13Å; F260-L276 HydrophobicContact CG-CG 4.44Å; F260-L276 HydrophobicContact CZ-CD1 4.49Å; F260-L276 HydrophobicContact CZ-CD2 4.14Å; V268-L276 HydrophobicContact CG2-CD1 3.82Å; C272-L276 WeakPolarHBondContact O-CG 3.25Å; C272-L276 PolarHBondContact O-N 2.92Å; G273-L276 PolarHBondContact O-N 3.37Å; L276-A278 PolarHBondContact O-N 3.31Å; L276-A278 VanDerWaalsContact O-N 3.14Å; L276-V279 PolarHBondContact O-N 2.85Å; L276-Y280 HydrophobicContact CB-CD2 4.02Å; L276-Y280 HydrophobicContact CB-CE2 4.14Å; L276-Y280 WeakPolarHBondContact O-CD2 3.46Å; L276-Y280 PolarHBondContact O-N 3.07Å; L276-Y280 VanDerWaalsContact O-N 3.1Å; L276-I302 HydrophobicContact CD2-CG2 4.28Å
277A98.8Very high98.2Very high0 Ų015.5 Ų15.50%08%0.08CC..Hα-helixtrans-62.2-17.7175.700000112.8V248 A256 G273 A274 A275 V279 Y280 C281V248-A277 HydrophobicContact CB-CB 4.3Å; V248-A277 HydrophobicContact CG1-CB 3.83Å; V248-A277 HydrophobicContact CG2-CB 4.09Å; A256-A277 HydrophobicContact CB-CB 4.26Å; G273-A277 WeakPolarHBondContact O-CB 3.21Å; G273-A277 PolarHBondContact O-N 2.87Å; A274-A277 PolarHBondContact O-N 2.9Å; A275-A277 VanDerWaalsContact C-N 3.26Å; A275-A277 PolarHBondContact O-N 3.16Å; A277-V279 PolarHBondContact O-N 2.86Å; A277-Y280 PolarHBondContact O-N 3.26Å; A277-C281 VanDerWaalsContact O-CB 3.29Å; A277-C281 WeakPolarHBondContact O-CB 3.22Å; A277-C281 PolarHBondContact O-N 3.49Å
278A98.6Very high98.1Very high0 Ų014.7 Ų14.70%08%0.075CC..Hα-helixtrans-57.1-33.8171.200000112.6V166 M195 A275 L276 I283 I284V166-A278 HydrophobicContact CG1-CB 3.5Å; V166-A278 VanDerWaalsContact CG1-CB 3.5Å; V166-A278 HydrophobicContact CG2-CB 4.29Å; M195-A278 HydrophobicContact CE-CB 4.18Å; M195-A278 HydrophobicContact CG-CB 4.19Å; M195-A278 HydrophobicContact SD-CB 3.89Å; A275-A278 WeakPolarHBondContact O-CB 3.47Å; A275-A278 PolarHBondContact O-N 3.31Å; A275-A278 VanDerWaalsContact O-N 3.12Å; L276-A278 PolarHBondContact O-N 3.31Å; L276-A278 VanDerWaalsContact O-N 3.14Å; A278-I283 WeakPolarHBondContact O-CB 3.27Å; A278-I283 PolarHBondContact O-N 3.38Å; A278-I284 HydrophobicContact CB-CD1 4.46Å; A278-I284 PolarHBondContact O-N 3.37Å; A278-I284 VanDerWaalsContact O-N 3.1Å
279V98.4Very high98.1Very high0 Ų023.2 Ų23.20%011%0.112CC..Hα-helixtrans-90.5-52.9172.2171.30000110.5L21 V24 A25 V29 L276 A277 C281 D282 I284 I302L21-V279 HydrophobicContact CB-CG1 4.07Å; L21-V279 HydrophobicContact CD2-CB 4.47Å; L21-V279 HydrophobicContact CD2-CG1 4.47Å; L21-V279 HydrophobicContact CG-CG1 4.12Å; V24-V279 HydrophobicContact CB-CG1 3.78Å; V24-V279 HydrophobicContact CG1-CG1 3.72Å; V24-V279 WeakPolarHBondContact CG1-O 3.45Å; A25-V279 HydrophobicContact CB-CG1 4.02Å; A25-V279 HydrophobicContact CB-CG2 4.15Å; V29-V279 HydrophobicContact CG2-CG2 4.09Å; L276-V279 PolarHBondContact O-N 2.85Å; A277-V279 PolarHBondContact O-N 2.86Å; V279-C281 PolarHBondContact O-N 2.8Å; V279-C281 VanDerWaalsContact O-N 3.13Å; V279-D282 PolarHBondContact O-N 3.02Å; V279-D282 VanDerWaalsContact O-N 3.13Å; V279-I284 HydrophobicContact CG2-CD1 3.64Å; V279-I302 HydrophobicContact CB-CD1 4.49Å; V279-I302 HydrophobicContact CG2-CD1 3.65Å
280Y98.5Very high98.1Very high15 Ų1527.1 Ų27.16%0.05913%0.13CC..Hα-helixtrans-68.4-16.2-169.6-70.1-52.2000115.6L21 A256 R259 F260 D263 L276 A277L21-Y280 HydrophobicContact CD1-CE1 4.16Å; L21-Y280 VanDerWaalsContact CD1-OH 3.31Å; L21-Y280 WeakPolarHBondContact CD1-OH 3.38Å; L21-Y280 HydrophobicContact CG-CE1 4.24Å; A256-Y280 HydrophobicContact CB-CD2 3.75Å; A256-Y280 HydrophobicContact CB-CE2 4.48Å; R259-Y280 HydrophobicContact CB-CD1 4.46Å; R259-Y280 HydrophobicContact CB-CE1 4Å; R259-Y280 HydrophobicContact CB-CE2 4.14Å; R259-Y280 PolarHBondContact NH1-O 3.43Å; F260-Y280 WeakPolarHBondContact CA-OH 3.34Å; F260-Y280 HydrophobicContact CB-CE2 4.14Å; F260-Y280 HydrophobicContact CD2-CE2 4.45Å; F260-Y280 PolarHBondContact N-OH 3.33Å; D263-Y280 WeakPolarHBondContact OD2-CE1 3.42Å; D263-Y280 PolarHBondContact OD2-OH 3.49Å; L276-Y280 HydrophobicContact CB-CD2 4.02Å; L276-Y280 HydrophobicContact CB-CE2 4.14Å; L276-Y280 WeakPolarHBondContact O-CD2 3.46Å; L276-Y280 PolarHBondContact O-N 3.07Å; L276-Y280 VanDerWaalsContact O-N 3.1Å; A277-Y280 PolarHBondContact O-N 3.26Å
281C98Very high98Very high36 Ų3629.8 Ų29.824%0.24316%0.159CC..THydrogen-bonded Turntrans-114.724.5176.3-62.20000112.7A277 V279 I283A277-C281 VanDerWaalsContact O-CB 3.29Å; A277-C281 WeakPolarHBondContact O-CB 3.22Å; A277-C281 PolarHBondContact O-N 3.49Å; V279-C281 PolarHBondContact O-N 2.8Å; V279-C281 VanDerWaalsContact O-N 3.13Å; C281-I283 HydrophobicContact CB-CG1 4.39Å; C281-I283 PolarHBondContact O-N 2.86Å
282D96.9Very high98Very high91 Ų9133.8 Ų33.849%0.48718%0.176SC..SBendtrans56.525.7173.7-58.4-35.6000115.1V279 I284 P285 R286V279-D282 PolarHBondContact O-N 3.02Å; V279-D282 VanDerWaalsContact O-N 3.13Å; D282-I284 PolarHBondContact O-N 3.17Å; D282-P285 HydrophobicContact CB-CB 4.45Å; D282-P285 HydrophobicContact CB-CG 4.3Å; D282-P285 WeakPolarHBondContact O-CD 3.14Å; D282-R286 VanDerWaalsContact O-CB 3.28Å; D282-R286 WeakPolarHBondContact O-CB 3.43Å; D282-R286 PolarHBondContact O-N 3.38Å
283I98.2Very high97.9Very high12 Ų1234.1 Ų34.16%0.06218%0.178CC..Hα-helixtrans-64.7-42.8179.6-55.5-65.4000110.4M195 E246 A278 C281 R286 L287M195-I283 HydrophobicContact CE-CG1 4.16Å; E246-I283 HydrophobicContact CB-CG2 4.11Å; E246-I283 HydrophobicContact CG-CG2 3.89Å; A278-I283 WeakPolarHBondContact O-CB 3.27Å; A278-I283 PolarHBondContact O-N 3.38Å; C281-I283 HydrophobicContact CB-CG1 4.39Å; C281-I283 PolarHBondContact O-N 2.86Å; I283-R286 PolarHBondContact O-N 3.43Å; I283-L287 HydrophobicContact CG2-CD1 4.04Å; I283-L287 HydrophobicContact CG2-CG 4.31Å; I283-L287 WeakPolarHBondContact O-CB 3.46Å; I283-L287 VanDerWaalsContact O-CG 3.3Å; I283-L287 WeakPolarHBondContact O-CG 3.39Å; I283-L287 PolarHBondContact O-N 3.06Å
284I97.2Very high97.7Very high0 Ų036.9 Ų36.90%020%0.201CC..Hα-helixtrans-61-55.3176.2-69157.8000111V166 I193 A278 V279 D282 R286 L287 Q288 L293 L297 V300V166-I284 HydrophobicContact CG2-CD1 4.49Å; I193-I284 HydrophobicContact CD1-CG1 3.82Å; A278-I284 HydrophobicContact CB-CD1 4.46Å; A278-I284 PolarHBondContact O-N 3.37Å; A278-I284 VanDerWaalsContact O-N 3.1Å; V279-I284 HydrophobicContact CG2-CD1 3.64Å; D282-I284 PolarHBondContact O-N 3.17Å; I284-R286 VanDerWaalsContact C-N 3.26Å; I284-R286 PolarHBondContact O-N 3.31Å; I284-L287 PolarHBondContact O-N 2.78Å; I284-L287 VanDerWaalsContact O-N 3.13Å; I284-Q288 WeakPolarHBondContact O-CG 3.46Å; I284-Q288 PolarHBondContact O-N 3.29Å; I284-L293 HydrophobicContact CG2-CD1 4.42Å; I284-L297 HydrophobicContact CG2-CD2 4.19Å; I284-V300 HydrophobicContact CD1-CG1 3.87Å; I284-V300 HydrophobicContact CD1-CG2 4.35Å
285P96.3Very high97.3Very high24 Ų2447.4 Ų47.416%0.15624%0.241CC..Hα-helixtrans-53.5-38.9172.9-28.932.5000114.2D282 Q288 K289D282-P285 HydrophobicContact CB-CB 4.45Å; D282-P285 HydrophobicContact CB-CG 4.3Å; D282-P285 WeakPolarHBondContact O-CD 3.14Å; P285-Q288 PolarHBondContact O-N 2.85Å; P285-K289 WeakPolarHBondContact O-CG 3.41Å; P285-K289 PolarHBondContact O-N 3.26Å
286R97.6Very high96.9Very high79 Ų7955 Ų5530%0.29828%0.281SS..Hα-helixtrans-64.3-47.3176.4179.717958.684.9-2.9111.5E246 D282 I283 I284 Q288 K289 E290E246-R286 VanDerWaalsContact CD-NH2 3.32Å; E246-R286 IonicContact OE1-NH2 3.73Å; E246-R286 IonicContact OE2-CZ 3.55Å; E246-R286 IonicContact OE2-NH1 3.45Å; E246-R286 IonicContact OE2-NH2 3.84Å; E246-R286 PolarHBondContact OE2-NH2 3.44Å; D282-R286 VanDerWaalsContact O-CB 3.28Å; D282-R286 WeakPolarHBondContact O-CB 3.43Å; D282-R286 PolarHBondContact O-N 3.38Å; I283-R286 PolarHBondContact O-N 3.43Å; I284-R286 VanDerWaalsContact C-N 3.26Å; I284-R286 PolarHBondContact O-N 3.31Å; R286-Q288 VanDerWaalsContact C-N 3.26Å; R286-Q288 PolarHBondContact O-N 2.93Å; R286-K289 WeakPolarHBondContact O-CB 3.45Å; R286-K289 PolarHBondContact O-N 2.9Å; R286-K289 VanDerWaalsContact O-N 3.09Å; R286-E290 WeakPolarHBondContact CD-OE1 3.49Å; R286-E290 HydrophobicContact CG-CG 4.43Å; R286-E290 VanDerWaalsContact CG-OE1 3.24Å; R286-E290 WeakPolarHBondContact CG-OE1 3.47Å; R286-E290 IonicContact CZ-OE1 3.58Å; R286-E290 IonicContact NE-OE1 3.34Å; R286-E290 IonicContact NH1-OE1 3.86Å; R286-E290 PolarHBondContact NH1-OE1 3.15Å; R286-E290 IonicContact NH1-OE2 2.64Å; R286-E290 WeakPolarHBondContact O-CG 3.33Å; R286-E290 PolarHBondContact O-N 2.79Å
287L98.3Very high96.5Very high0 Ų055.7 Ų55.70%029%0.285CS..Hα-helixtrans-62.2-33.8177.8-72.1175.4000112.2I193 Y244 E246 I283 I284 E290 G291 K292 L293I193-L287 HydrophobicContact CD1-CD1 3.98Å; I193-L287 HydrophobicContact CG1-CD1 4.28Å; I193-L287 HydrophobicContact CG2-CD1 4.22Å; Y244-L287 HydrophobicContact CD2-CD1 4.42Å; Y244-L287 HydrophobicContact CG-CD1 4.42Å; Y244-L287 HydrophobicContact CG-CD2 4.49Å; E246-L287 HydrophobicContact CG-CD1 4.38Å; E246-L287 WeakPolarHBondContact OE1-CD2 3.41Å; I283-L287 HydrophobicContact CG2-CD1 4.04Å; I283-L287 HydrophobicContact CG2-CG 4.31Å; I283-L287 WeakPolarHBondContact O-CB 3.46Å; I283-L287 VanDerWaalsContact O-CG 3.3Å; I283-L287 WeakPolarHBondContact O-CG 3.39Å; I283-L287 PolarHBondContact O-N 3.06Å; I284-L287 PolarHBondContact O-N 2.78Å; I284-L287 VanDerWaalsContact O-N 3.13Å; L287-E290 PolarHBondContact O-N 2.78Å; L287-G291 PolarHBondContact O-N 3.4Å; L287-K292 HydrophobicContact CB-CB 4.37Å; L287-K292 HydrophobicContact CD2-CB 4.09Å; L287-K292 HydrophobicContact CD2-CD 3.46Å; L287-K292 VanDerWaalsContact CD2-CD 3.46Å; L287-K292 HydrophobicContact CD2-CG 4.44Å; L287-K292 PolarHBondContact O-N 3.05Å; L287-L293 HydrophobicContact CB-CB 4.35Å; L287-L293 HydrophobicContact CB-CD1 3.65Å; L287-L293 HydrophobicContact CB-CG 3.84Å; L287-L293 HydrophobicContact CD1-CD1 3.87Å; L287-L293 HydrophobicContact CD1-CG 4.39Å; L287-L293 HydrophobicContact CG-CD1 4.43Å; L287-L293 PolarHBondContact O-N 3.19Å; L287-L293 VanDerWaalsContact O-N 3.13Å
288Q97.1Very high96.3Very high32 Ų3257 Ų5715%0.1530%0.298CS..Hα-helixtrans-66.5-41.4172-67.1177.8-50.300112.3I284 P285 R286 E290 G291 L293 A294 R295I284-Q288 WeakPolarHBondContact O-CG 3.46Å; I284-Q288 PolarHBondContact O-N 3.29Å; P285-Q288 PolarHBondContact O-N 2.85Å; R286-Q288 VanDerWaalsContact C-N 3.26Å; R286-Q288 PolarHBondContact O-N 2.93Å; Q288-E290 VanDerWaalsContact C-N 3.33Å; Q288-G291 PolarHBondContact O-N 3.12Å; Q288-G291 VanDerWaalsContact O-N 3.16Å; Q288-L293 WeakPolarHBondContact CA-O 3.23Å; Q288-L293 HydrophobicContact CG-CB 3.83Å; Q288-A294 WeakPolarHBondContact CG-O 3.26Å; Q288-A294 PolarHBondContact NE2-O 3.48Å; Q288-R295 PolarHBondContact NE2-O 2.9Å; Q288-R295 VanDerWaalsContact NE2-O 3.15Å
289K96.9Very high96.2Very high179 Ų17957.2 Ų57.278%0.77830%0.3SS*.Hα-helixtrans-65.5-36175.5-72170.7-175.3174.30112.4P285 R286 G291P285-K289 WeakPolarHBondContact O-CG 3.41Å; P285-K289 PolarHBondContact O-N 3.26Å; R286-K289 WeakPolarHBondContact O-CB 3.45Å; R286-K289 PolarHBondContact O-N 2.9Å; R286-K289 VanDerWaalsContact O-N 3.09Å; K289-G291 PolarHBondContact O-N 2.95Å
290E97.6Very high96.2Very high88 Ų8857.2 Ų57.241%0.41130%0.3SS..THydrogen-bonded Turntrans-73.3-4.5175-70.2175.3-161.100113.3R286 L287 Q288 K292R286-E290 WeakPolarHBondContact CD-OE1 3.49Å; R286-E290 HydrophobicContact CG-CG 4.43Å; R286-E290 VanDerWaalsContact CG-OE1 3.24Å; R286-E290 WeakPolarHBondContact CG-OE1 3.47Å; R286-E290 IonicContact CZ-OE1 3.58Å; R286-E290 IonicContact NE-OE1 3.34Å; R286-E290 IonicContact NH1-OE1 3.86Å; R286-E290 PolarHBondContact NH1-OE1 3.15Å; R286-E290 IonicContact NH1-OE2 2.64Å; R286-E290 WeakPolarHBondContact O-CG 3.33Å; R286-E290 PolarHBondContact O-N 2.79Å; L287-E290 PolarHBondContact O-N 2.78Å; Q288-E290 VanDerWaalsContact C-N 3.33Å; E290-K292 HydrophobicContact CB-CD 4.34Å; E290-K292 HydrophobicContact CB-CG 4.33Å; E290-K292 PolarHBondContact O-N 3.05Å; E290-K292 WeakPolarHBondContact OE2-CD 3.48Å; E290-K292 WeakPolarHBondContact OE2-CE 3.31Å; E290-K292 IonicContact OE2-NZ 2.81Å; E290-K292 PolarHBondContact OE2-NZ 2.84Å
291G97.3Very high96.2Very high66 Ų6656.5 Ų56.568%0.6830%0.297SS*.THydrogen-bonded Turntrans71.912.9-177.400000114.1L287 Q288 K289L287-G291 PolarHBondContact O-N 3.4Å; Q288-G291 PolarHBondContact O-N 3.12Å; Q288-G291 VanDerWaalsContact O-N 3.16Å; K289-G291 PolarHBondContact O-N 2.95Å
292K97.3Very high96.2Very high87 Ų8754.8 Ų54.838%0.37829%0.285SS..SBendtrans-80.3-37.4176.2-73.5174.4178.7163.60111.7Y244 L287 E290Y244-K292 HydrophobicContact CD1-CB 4.29Å; Y244-K292 HydrophobicContact CD1-CD 3.98Å; Y244-K292 HydrophobicContact CD1-CG 4.4Å; Y244-K292 HydrophobicContact CE1-CB 3.7Å; Y244-K292 HydrophobicContact CE1-CD 3.96Å; Y244-K292 HydrophobicContact CE1-CG 3.88Å; Y244-K292 HydrophobicContact CE2-CB 4.44Å; Y244-K292 PolarHBondContact OH-O 2.86Å; L287-K292 HydrophobicContact CB-CB 4.37Å; L287-K292 HydrophobicContact CD2-CB 4.09Å; L287-K292 HydrophobicContact CD2-CD 3.46Å; L287-K292 VanDerWaalsContact CD2-CD 3.46Å; L287-K292 HydrophobicContact CD2-CG 4.44Å; L287-K292 PolarHBondContact O-N 3.05Å; E290-K292 HydrophobicContact CB-CD 4.34Å; E290-K292 HydrophobicContact CB-CG 4.33Å; E290-K292 PolarHBondContact O-N 3.05Å; E290-K292 WeakPolarHBondContact OE2-CD 3.48Å; E290-K292 WeakPolarHBondContact OE2-CE 3.31Å; E290-K292 IonicContact OE2-NZ 2.81Å; E290-K292 PolarHBondContact OE2-NZ 2.84Å
293L97.6Very high96.3Very high8 Ų850.5 Ų50.54%0.04226%0.262CS..SBendtrans-109.7149.6172.6-66.7175.6000110.6P191 I193 Y244 I284 L287 Q288 L297P191-L293 HydrophobicContact CB-CD2 4.08Å; P191-L293 HydrophobicContact CG-CD2 3.52Å; I193-L293 HydrophobicContact CD1-CD1 3.79Å; Y244-L293 HydrophobicContact CD2-CD2 4.15Å; Y244-L293 HydrophobicContact CE2-CD2 3.67Å; Y244-L293 HydrophobicContact CE2-CG 4.29Å; I284-L293 HydrophobicContact CG2-CD1 4.42Å; L287-L293 HydrophobicContact CB-CB 4.35Å; L287-L293 HydrophobicContact CB-CD1 3.65Å; L287-L293 HydrophobicContact CB-CG 3.84Å; L287-L293 HydrophobicContact CD1-CD1 3.87Å; L287-L293 HydrophobicContact CD1-CG 4.39Å; L287-L293 HydrophobicContact CG-CD1 4.43Å; L287-L293 PolarHBondContact O-N 3.19Å; L287-L293 VanDerWaalsContact O-N 3.13Å; Q288-L293 WeakPolarHBondContact CA-O 3.23Å; Q288-L293 HydrophobicContact CG-CB 3.83Å; L293-L297 HydrophobicContact CB-CD1 4.43Å; L293-L297 HydrophobicContact CD1-CD2 4.18Å; L293-L297 HydrophobicContact CD2-CD1 4.46Å
294A94.8Very high96.4Very high57 Ų5749.9 Ų49.947%0.47126%0.259SS..  trans-60.7143.1173.500000110.7Q288 L297Q288-A294 WeakPolarHBondContact CG-O 3.26Å; Q288-A294 PolarHBondContact NE2-O 3.48Å; A294-L297 HydrophobicContact CB-CD1 4.36Å; A294-L297 WeakPolarHBondContact O-CB 3.48Å
295R90.5Very high96.4Very high222 Ų22250.3 Ų50.384%0.83826%0.262SS*.SBendtrans-66.8-43.7174.9-70.2-174.5179.31790.6111.4Q288 L297Q288-R295 PolarHBondContact NE2-O 2.9Å; Q288-R295 VanDerWaalsContact NE2-O 3.15Å; R295-L297 VanDerWaalsContact C-N 3.26Å; R295-L297 PolarHBondContact O-N 3.24Å
296D89.1Confident96.5Very high159 Ų15949.3 Ų49.385%0.8526%0.256SS*.SBendtrans-88.671.1170.8-164.118.1000108.4
297L92.3Very high96.3Very high14 Ų1446.1 Ų46.17%0.07325%0.248CC..  trans-80.6125-178.4-16565.4000108.5T27 G163 A164 I284 L293 A294 R295 V300T27-L297 PolarHBondContact OG1-O 3.16Å; G163-L297 WeakPolarHBondContact O-CD1 3.4Å; A164-L297 HydrophobicContact CB-CD2 4.38Å; I284-L297 HydrophobicContact CG2-CD2 4.19Å; L293-L297 HydrophobicContact CB-CD1 4.43Å; L293-L297 HydrophobicContact CD1-CD2 4.18Å; L293-L297 HydrophobicContact CD2-CD1 4.46Å; A294-L297 HydrophobicContact CB-CD1 4.36Å; A294-L297 WeakPolarHBondContact O-CB 3.48Å; R295-L297 VanDerWaalsContact C-N 3.26Å; R295-L297 PolarHBondContact O-N 3.24Å; L297-V300 HydrophobicContact CD2-CG2 3.49Å; L297-V300 VanDerWaalsContact CD2-CG2 3.49Å; L297-V300 HydrophobicContact CG-CG2 4.28Å
298G93.3Very high95.9Very high28 Ų2847.8 Ų47.829%0.28926%0.257SS..  trans-57.8179.1165.900000112.1V300G298-V300 PolarHBondContact O-N 2.86Å
299P96.3Very high95.6Very high5 Ų548.6 Ų48.63%0.03226%0.262CS..PPolyproline II helixtrans-58.1132.6-17019.7-30000112.2S28 Y30 E160 P162 G163S28-P299 WeakPolarHBondContact O-CA 3.32Å; Y30-P299 HydrophobicContact CD2-CB 3.54Å; Y30-P299 HydrophobicContact CE2-CB 3.55Å; Y30-P299 HydrophobicContact CE2-CG 4.41Å; E160-P299 HydrophobicContact CG-CG 3.94Å; E160-P299 VanDerWaalsContact OE1-CD 3.26Å; E160-P299 WeakPolarHBondContact OE1-CD 3.19Å; P162-P299 CarbonylContact C-O 3.46Å; P162-P299 VanDerWaalsContact CA-O 3.23Å; P162-P299 WeakPolarHBondContact CA-O 3.33Å; P162-P299 VanDerWaalsContact CB-O 3.29Å; P162-P299 WeakPolarHBondContact CB-O 3.34Å; G163-P299 PolarHBondContact N-O 3.38Å
300V98.4Very high95.5Very high0 Ų040.9 Ų40.90%023%0.229CC..EExtended strand (participates in β ladder)trans-88.8125.2175.21780000108.9T27 S28 V29 Y30 A164 V166 I284 L297 G298 I302T27-V300 HydrophobicContact CG2-CG2 3.82Å; S28-V300 PolarHBondContact O-N 2.54Å; V29-V300 CarbonylContact C-O 3.48Å; V29-V300 WeakPolarHBondContact CA-O 3.43Å; Y30-V300 PolarHBondContact N-O 2.75Å; A164-V300 HydrophobicContact CB-CG2 4.4Å; V166-V300 HydrophobicContact CG2-CG1 3.58Å; I284-V300 HydrophobicContact CD1-CG1 3.87Å; I284-V300 HydrophobicContact CD1-CG2 4.35Å; L297-V300 HydrophobicContact CD2-CG2 3.49Å; L297-V300 VanDerWaalsContact CD2-CG2 3.49Å; L297-V300 HydrophobicContact CG-CG2 4.28Å; G298-V300 PolarHBondContact O-N 2.86Å; V300-I302 HydrophobicContact CG1-CG1 4.46Å
301V98.9Very high95.4Very high0 Ų038.8 Ų38.80%022%0.224CC..EExtended strand (participates in β ladder)trans-103.6119.2176.11790000109.8L15 Y30 K32 L154 L158 P162 A164 M165 V166L15-V301 HydrophobicContact CD1-CG1 4.23Å; Y30-V301 CarbonylContact O-C 3.5Å; Y30-V301 WeakPolarHBondContact O-CA 3.32Å; K32-V301 HydrophobicContact CB-CG1 4.24Å; L154-V301 HydrophobicContact CD1-CG1 3.92Å; L154-V301 HydrophobicContact CD2-CG1 3.97Å; L158-V301 HydrophobicContact CD1-CG2 4.05Å; P162-V301 HydrophobicContact CB-CG2 3.82Å; A164-V301 PolarHBondContact O-N 2.95Å; M165-V301 CarbonylContact C-O 3.6Å; M165-V301 WeakPolarHBondContact CA-O 3.31Å; M165-V301 HydrophobicContact CE-CB 4.1Å; M165-V301 HydrophobicContact CE-CG1 3.85Å; M165-V301 HydrophobicContact SD-CB 3.66Å; M165-V301 HydrophobicContact SD-CG1 4.02Å; M165-V301 HydrophobicContact SD-CG2 4.35Å; V166-V301 PolarHBondContact N-O 2.76Å
302I98.9Very high95.3Very high0 Ų041 Ų410%022%0.218CC..EExtended strand (participates in β ladder)trans-97.4124173.3-49.3179.4000109.1L21 V29 Y30 L31 K32 V166 A275 L276 V279 V300 V304L21-I302 HydrophobicContact CD2-CD1 3.85Å; V29-I302 HydrophobicContact CG1-CD1 3.7Å; V29-I302 HydrophobicContact CG1-CG1 4.04Å; Y30-I302 PolarHBondContact O-N 2.75Å; L31-I302 HydrophobicContact CD2-CB 4.07Å; L31-I302 HydrophobicContact CD2-CD1 4.25Å; K32-I302 PolarHBondContact N-O 3.48Å; V166-I302 HydrophobicContact CB-CB 4.34Å; V166-I302 HydrophobicContact CB-CG1 4.06Å; V166-I302 HydrophobicContact CB-CG2 4.24Å; V166-I302 HydrophobicContact CG1-CG2 4.33Å; V166-I302 HydrophobicContact CG2-CG1 4.23Å; A275-I302 HydrophobicContact CB-CG2 4.25Å; L276-I302 HydrophobicContact CD2-CG2 4.28Å; V279-I302 HydrophobicContact CB-CD1 4.49Å; V279-I302 HydrophobicContact CG2-CD1 3.65Å; V300-I302 HydrophobicContact CG1-CG1 4.46Å; I302-V304 PolarHBondContact O-N 2.77Å; I302-V304 VanDerWaalsContact O-N 3.14Å
303V98.9Very high95.2Very high0 Ų045 Ų450%024%0.236CC..EExtended strand (participates in β ladder)trans-75.3101.8168.6-177.50000108.5L150 M165 V166 L167 L174 C305L150-V303 HydrophobicContact CD1-CB 4.41Å; L150-V303 HydrophobicContact CD1-CG1 3.65Å; L150-V303 HydrophobicContact CD1-CG2 3.86Å; L150-V303 HydrophobicContact CD2-CG2 4.15Å; M165-V303 HydrophobicContact CE-CG2 3.85Å; V166-V303 PolarHBondContact O-N 3.43Å; L167-V303 HydrophobicContact CB-CB 4.27Å; L167-V303 HydrophobicContact CB-CG2 4.31Å; L174-V303 HydrophobicContact CD1-CG1 4.36Å; L174-V303 HydrophobicContact CD2-CG1 4.02Å; V303-C305 HydrophobicContact CG1-CB 4.41Å; V303-C305 PolarHBondContact O-N 3.39Å
304V98.9Very high95Very high0 Ų047.1 Ų47.10%025%0.245CC..  trans-76.580.9172.8-174.40000107.4L31 K32 L33 D34 S35 F260 V268 I302 G306L31-V304 HydrophobicContact CB-CG2 3.94Å; L31-V304 HydrophobicContact CD2-CG2 3.8Å; L31-V304 HydrophobicContact CG-CG2 4.37Å; K32-V304 WeakPolarHBondContact O-CB 3.5Å; K32-V304 PolarHBondContact O-N 3.46Å; L33-V304 HydrophobicContact CD2-CB 4.17Å; L33-V304 HydrophobicContact CD2-CG1 4.32Å; L33-V304 HydrophobicContact CD2-CG2 4.03Å; D34-V304 CarbonylContact C-O 3.41Å; D34-V304 WeakPolarHBondContact CA-O 3.27Å; D34-V304 PolarHBondContact N-O 2.93Å; S35-V304 PolarHBondContact N-O 3.42Å; F260-V304 HydrophobicContact CE1-CG1 3.75Å; F260-V304 HydrophobicContact CZ-CG1 3.81Å; F260-V304 HydrophobicContact CZ-CG2 3.92Å; V268-V304 HydrophobicContact CG1-CG1 3.97Å; I302-V304 PolarHBondContact O-N 2.77Å; I302-V304 VanDerWaalsContact O-N 3.14Å; V304-G306 PolarHBondContact O-N 3.21Å; V304-G306 VanDerWaalsContact O-N 3.08Å
305C98.3Very high95.1Very high9 Ų944.9 Ų44.96%0.06123%0.225CC..  trans-64.3-16.6-170.366.60000113.5S41 F42 L174 C272 V303S41-C305 WeakPolarHBondContact CA-O 3.31Å; S41-C305 WeakPolarHBondContact CB-O 3.41Å; F42-C305 HydrophobicContact CD1-CB 3.65Å; F42-C305 HydrophobicContact CE1-CB 4.07Å; F42-C305 PolarHBondContact N-O 3.08Å; L174-C305 HydrophobicContact CD2-CB 4.48Å; C272-C305 WeakPolarHBondContact CA-SG 3.44Å; C272-C305 WeakPolarHBondContact CB-SG 3.44Å; C272-C305 PolarHBondContact SG-N 2.95Å; C272-C305 VanDerWaalsContact SG-N 3.45Å; V303-C305 HydrophobicContact CG1-CB 4.41Å; V303-C305 PolarHBondContact O-N 3.39Å
306G97.7Very high95.4Very high3 Ų339.5 Ų39.53%0.03121%0.21CC..BIsolated β-bridgetrans80.3-126.1171.700000112.7E269 V304E269-G306 PolarHBondContact N-O 3.09Å; V304-G306 PolarHBondContact O-N 3.21Å; V304-G306 VanDerWaalsContact O-N 3.08Å
307G94.6Very high95.7Very high12 Ų1238.9 Ų38.912%0.12420%0.199CC..  trans120.3146.2177.400000113.1G40 N69 E269G40-G307 PolarHBondContact O-N 3.5Å; N69-G307 WeakPolarHBondContact OD1-CA 3.4Å; E269-G307 WeakPolarHBondContact OE1-CA 3.38Å
308N90.2Very high95.8Very high35 Ų3539.4 Ų39.419%0.18720%0.202CC..SBendtrans-97.2-19.1-177.7-62.5-87.6000112.8T39 N69 R100 E269 I310T39-N308 PolarHBondContact O-ND2 3.39Å; N69-N308 PolarHBondContact OD1-N 3.31Å; N69-N308 PolarHBondContact OD1-ND2 3.5Å; R100-N308 PolarHBondContact NH1-O 3.42Å; R100-N308 PolarHBondContact NH2-O 3.3Å; E269-N308 PolarHBondContact OE1-N 2.89Å; N308-I310 PolarHBondContact O-N 3.44Å
309N89.9Confident96Very high48 Ų4838.4 Ų38.426%0.25719%0.19SC..SBendtrans-85.842-172.7-160.127.3000113.1E269 Q314E269-N309 HydrophobicContact CG-CB 4.41Å; E269-N309 WeakPolarHBondContact OE1-CB 3.34Å; E269-N309 PolarHBondContact OE1-N 2.88Å; N309-Q314 PolarHBondContact OD1-NE2 3.19Å; N309-Q314 VanDerWaalsContact OD1-NE2 3.16Å
310I94.6Very high96Very high18 Ų1846 Ų469%0.09222%0.223CC..  trans-140.2150.9177.1-164.562000110.9L267 E269 N308 Q314 L315 L318L267-I310 HydrophobicContact CD1-CG1 4.11Å; L267-I310 HydrophobicContact CD2-CG1 4.16Å; L267-I310 HydrophobicContact CD2-CG2 4.27Å; L267-I310 HydrophobicContact CG-CG1 4.01Å; L267-I310 HydrophobicContact CG-CG2 3.97Å; E269-I310 HydrophobicContact CG-CB 4.11Å; E269-I310 HydrophobicContact CG-CG2 4.22Å; N308-I310 PolarHBondContact O-N 3.44Å; I310-Q314 HydrophobicContact CD1-CB 4.04Å; I310-L315 HydrophobicContact CD1-CB 4.25Å; I310-L318 HydrophobicContact CD1-CD1 4.02Å
311S94.8Very high95.8Very high43 Ų4352 Ų5230%0.30125%0.25SS..  trans-160.3166.9175.455.90000107.6K313 Q314 L315S311-K313 PolarHBondContact O-N 3.23Å; S311-Q314 PolarHBondContact O-N 3.43Å; S311-Q314 WeakPolarHBondContact OG-CB 3.31Å; S311-Q314 WeakPolarHBondContact OG-CG 3.48Å; S311-Q314 PolarHBondContact OG-N 2.93Å; S311-Q314 PolarHBondContact OG-OE1 3.49Å; S311-L315 PolarHBondContact O-N 2.86Å
312M95.9Very high95.7Very high114 Ų11453.3 Ų53.356%0.56226%0.257SS*.Hα-helixtrans-55.1-42176.3-65.5-54.7-68.100112.3L267 Q314 L315 Q316L267-M312 HydrophobicContact CD2-SD 4.31Å; M312-Q314 PolarHBondContact O-N 3.47Å; M312-L315 PolarHBondContact O-N 2.97Å; M312-Q316 WeakPolarHBondContact O-CG 3.4Å; M312-Q316 PolarHBondContact O-N 2.97Å
313K95.1Very high95.5Very high170 Ų17056.6 Ų56.674%0.73929%0.291SS*.Hα-helixtrans-64-40.5176.5-174.7176.9-178.2176.20112.3S311 K317S311-K313 PolarHBondContact O-N 3.23Å; K313-K317 WeakPolarHBondContact O-CB 3.33Å; K313-K317 PolarHBondContact O-N 2.95Å
314Q94.5Very high95.2Very high53 Ų5358.1 Ų58.125%0.24830%0.299CS..Hα-helixtrans-68.2-42.7176.1-75.9165.4-53.100111.1N309 I310 S311 M312 Q316 K317 L318N309-Q314 PolarHBondContact OD1-NE2 3.19Å; N309-Q314 VanDerWaalsContact OD1-NE2 3.16Å; I310-Q314 HydrophobicContact CD1-CB 4.04Å; S311-Q314 PolarHBondContact O-N 3.43Å; S311-Q314 WeakPolarHBondContact OG-CB 3.31Å; S311-Q314 WeakPolarHBondContact OG-CG 3.48Å; S311-Q314 PolarHBondContact OG-N 2.93Å; S311-Q314 PolarHBondContact OG-OE1 3.49Å; M312-Q314 PolarHBondContact O-N 3.47Å; Q314-Q316 PolarHBondContact O-N 3.41Å; Q314-K317 WeakPolarHBondContact O-CB 3.26Å; Q314-K317 PolarHBondContact O-N 3.35Å; Q314-K317 VanDerWaalsContact O-N 3.11Å; Q314-L318 VanDerWaalsContact O-CG 3.3Å; Q314-L318 WeakPolarHBondContact O-CG 3.33Å; Q314-L318 PolarHBondContact O-N 3.14Å
315L96.2Very high94.3Very high9 Ų963 Ų635%0.04733%0.333CS..Hα-helixtrans-57.7-48176.4179.858.6000111.3V254 V257 L267 I310 S311 M312 K317 L318 K319V254-L315 HydrophobicContact CG1-CD1 3.84Å; V257-L315 HydrophobicContact CB-CD1 4.42Å; V257-L315 HydrophobicContact CG1-CD1 3.97Å; V257-L315 HydrophobicContact CG1-CD2 4.4Å; L267-L315 HydrophobicContact CD1-CD2 4.11Å; I310-L315 HydrophobicContact CD1-CB 4.25Å; S311-L315 PolarHBondContact O-N 2.86Å; M312-L315 PolarHBondContact O-N 2.97Å; L315-K317 VanDerWaalsContact C-N 3.32Å; L315-K317 PolarHBondContact O-N 3.02Å; L315-L318 PolarHBondContact O-N 2.68Å; L315-K319 WeakPolarHBondContact O-CG 3.07Å; L315-K319 PolarHBondContact O-N 3.37Å
316Q96.2Very high92.7Very high109 Ų10968.8 Ų68.851%0.50936%0.357SS..Hα-helixtrans-59.3-40.8174.5-72175.8-14.700112.6M312 Q314 K319 K320 F326M312-Q316 WeakPolarHBondContact O-CG 3.4Å; M312-Q316 PolarHBondContact O-N 2.97Å; Q314-Q316 PolarHBondContact O-N 3.41Å; Q316-K319 PolarHBondContact O-N 3.07Å; Q316-K320 WeakPolarHBondContact O-CB 3.44Å; Q316-K320 PolarHBondContact O-N 2.93Å; Q316-F326 HydrophobicContact CB-CE1 4.46Å; Q316-F326 HydrophobicContact CG-CE1 4.44Å
317K95.4Very high90.8Very high146 Ų14676.2 Ų76.264%0.63541%0.409SS*.Hα-helixtrans-62.3-44.4175.7-177.1-176.7174.9-174.50111.4K313 Q314 L315 K320 Q321K313-K317 WeakPolarHBondContact O-CB 3.33Å; K313-K317 PolarHBondContact O-N 2.95Å; Q314-K317 WeakPolarHBondContact O-CB 3.26Å; Q314-K317 PolarHBondContact O-N 3.35Å; Q314-K317 VanDerWaalsContact O-N 3.11Å; L315-K317 VanDerWaalsContact C-N 3.32Å; L315-K317 PolarHBondContact O-N 3.02Å; K317-K320 PolarHBondContact O-N 3.04Å; K317-Q321 WeakPolarHBondContact O-CB 3.43Å; K317-Q321 PolarHBondContact O-N 3.39Å
318L95.9Very high90.6Very high26 Ų2679.5 Ų79.514%0.13642%0.423CS..Hα-helixtrans-63.6-46.2178.1-65.5174000110.8I221 V254 P270 I310 Q314 L315 K320 Q321 L322I221-L318 HydrophobicContact CB-CD2 4.19Å; I221-L318 HydrophobicContact CD1-CB 4.31Å; I221-L318 HydrophobicContact CD1-CD1 4.11Å; I221-L318 HydrophobicContact CD1-CD2 3.72Å; I221-L318 HydrophobicContact CD1-CG 4.24Å; V254-L318 HydrophobicContact CG2-CB 4.25Å; V254-L318 HydrophobicContact CG2-CD1 4.47Å; P270-L318 HydrophobicContact CG-CD1 3.58Å; I310-L318 HydrophobicContact CD1-CD1 4.02Å; Q314-L318 VanDerWaalsContact O-CG 3.3Å; Q314-L318 WeakPolarHBondContact O-CG 3.33Å; Q314-L318 PolarHBondContact O-N 3.14Å; L315-L318 PolarHBondContact O-N 2.68Å; L318-K320 VanDerWaalsContact C-N 3.33Å; L318-K320 PolarHBondContact O-N 3.47Å; L318-Q321 PolarHBondContact O-N 3.25Å; L318-L322 WeakPolarHBondContact O-CB 3.43Å; L318-L322 VanDerWaalsContact O-CG 3.31Å; L318-L322 WeakPolarHBondContact O-CG 3.34Å; L318-L322 PolarHBondContact O-N 3.4Å
319K96.2Very high90.6Very high6 Ų681.8 Ų81.83%0.02644%0.436CS..Hα-helixtrans-55.3-47.2174.4-72.8-172.161.2156.30111.9V254 E258 L315 Q316 L322 G323 M324 S325V254-K319 HydrophobicContact CG1-CG 3.86Å; E258-K319 IonicContact OE1-NZ 3.37Å; E258-K319 PolarHBondContact OE1-NZ 2.97Å; E258-K319 IonicContact OE2-NZ 2.88Å; E258-K319 PolarHBondContact OE2-NZ 3.31Å; L315-K319 WeakPolarHBondContact O-CG 3.07Å; L315-K319 PolarHBondContact O-N 3.37Å; Q316-K319 PolarHBondContact O-N 3.07Å; K319-L322 PolarHBondContact O-N 3.32Å; K319-G323 PolarHBondContact O-N 2.89Å; K319-G323 VanDerWaalsContact O-N 3.16Å; K319-M324 HydrophobicContact CB-CB 4.16Å; K319-M324 HydrophobicContact CG-CB 4.41Å; K319-M324 HydrophobicContact CG-SD 4.25Å; K319-M324 PolarHBondContact O-N 3.17Å; K319-S325 VanDerWaalsContact CE-O 3.26Å; K319-S325 WeakPolarHBondContact CE-O 3.46Å; K319-S325 PolarHBondContact NZ-O 2.93Å; K319-S325 VanDerWaalsContact NZ-O 3.09Å
320K95.9Very high90.6Very high166 Ų16683.7 Ų83.772%0.72245%0.445SS*.Hα-helixtrans-62.8-44.7177.2-173.2178.5179.2177.10112.3Q316 K317 L318 L322 G323 F326Q316-K320 WeakPolarHBondContact O-CB 3.44Å; Q316-K320 PolarHBondContact O-N 2.93Å; K317-K320 PolarHBondContact O-N 3.04Å; L318-K320 VanDerWaalsContact C-N 3.33Å; L318-K320 PolarHBondContact O-N 3.47Å; K320-L322 PolarHBondContact O-N 3.47Å; K320-G323 PolarHBondContact O-N 2.91Å; K320-F326 HydrophobicContact CB-CZ 4.5Å
321Q95.3Very high90.4Very high124 Ų12487.5 Ų87.558%0.57947%0.466SS*.Hα-helixtrans-62.1-34.3178.7-179.6176.1-22.600111.9K317 L318K317-Q321 WeakPolarHBondContact O-CB 3.43Å; K317-Q321 PolarHBondContact O-N 3.39Å; L318-Q321 PolarHBondContact O-N 3.25Å
322L95.8Very high90.1Very high28 Ų2890.3 Ų90.315%0.14748%0.477CS..THydrogen-bonded Turntrans-89.32.3-179.5-65.6174.4000114.1I221 D250 Q251 V254 L318 K319 K320 M324I221-L322 HydrophobicContact CD1-CD1 3.95Å; I221-L322 HydrophobicContact CG1-CD1 4.38Å; I221-L322 HydrophobicContact CG2-CD2 4.33Å; D250-L322 HydrophobicContact CB-CD1 4.02Å; D250-L322 HydrophobicContact CB-CD2 3.74Å; Q251-L322 HydrophobicContact CG-CB 4.13Å; Q251-L322 PolarHBondContact NE2-O 3.18Å; V254-L322 HydrophobicContact CB-CD1 4.05Å; V254-L322 HydrophobicContact CG2-CD1 3.64Å; L318-L322 WeakPolarHBondContact O-CB 3.43Å; L318-L322 VanDerWaalsContact O-CG 3.31Å; L318-L322 WeakPolarHBondContact O-CG 3.34Å; L318-L322 PolarHBondContact O-N 3.4Å; K319-L322 PolarHBondContact O-N 3.32Å; K320-L322 PolarHBondContact O-N 3.47Å; L322-M324 VanDerWaalsContact C-N 3.26Å; L322-M324 HydrophobicContact CB-CG 3.91Å; L322-M324 HydrophobicContact CB-SD 4.01Å; L322-M324 HydrophobicContact CD1-SD 3.94Å; L322-M324 PolarHBondContact O-N 2.88Å
323G95.1Very high89.8Confident69 Ų6988.7 Ų88.771%0.71147%0.471SS*.THydrogen-bonded Turntrans66.823.4-178.400000114.2K319 K320K319-G323 PolarHBondContact O-N 2.89Å; K319-G323 VanDerWaalsContact O-N 3.16Å; K320-G323 PolarHBondContact O-N 2.91Å
324M93.1Very high89.4Confident32 Ų3282.9 Ų82.916%0.15845%0.452CS..  trans-79.4137.3-179.5-60.9171.470.400110.7Q251 V254 K255 K319 L322Q251-M324 HydrophobicContact CB-SD 4.4Å; Q251-M324 HydrophobicContact CG-CG 4.15Å; Q251-M324 HydrophobicContact CG-SD 4.39Å; Q251-M324 WeakPolarHBondContact O-CE 3.49Å; V254-M324 HydrophobicContact CB-CE 4.25Å; V254-M324 HydrophobicContact CB-SD 3.93Å; V254-M324 HydrophobicContact CG1-CE 3.97Å; V254-M324 HydrophobicContact CG1-SD 3.68Å; K255-M324 HydrophobicContact CB-CE 3.91Å; K319-M324 HydrophobicContact CB-CB 4.16Å; K319-M324 HydrophobicContact CG-CB 4.41Å; K319-M324 HydrophobicContact CG-SD 4.25Å; K319-M324 PolarHBondContact O-N 3.17Å; L322-M324 VanDerWaalsContact C-N 3.26Å; L322-M324 HydrophobicContact CB-CG 3.91Å; L322-M324 HydrophobicContact CB-SD 4.01Å; L322-M324 HydrophobicContact CD1-SD 3.94Å; L322-M324 PolarHBondContact O-N 2.88Å
325S79.2Confident89Confident103 Ų10385.2 Ų85.272%0.7247%0.467SS*.  trans-66.1145.2174.950.40000111.7K319 S327K319-S325 VanDerWaalsContact CE-O 3.26Å; K319-S325 WeakPolarHBondContact CE-O 3.46Å; K319-S325 PolarHBondContact NZ-O 2.93Å; K319-S325 VanDerWaalsContact NZ-O 3.09Å; S325-S327 PolarHBondContact O-N 3.46Å
326F65.6Low88.4Confident131 Ų13191.6 Ų91.658%0.57550%0.502SS*.  trans-81.6109.9165.4-59-83.5000106.4Q316 K320Q316-F326 HydrophobicContact CB-CE1 4.46Å; Q316-F326 HydrophobicContact CG-CE1 4.44Å; K320-F326 HydrophobicContact CB-CZ 4.5Å
327S56.9Low87.7Confident159 Ų15990 Ų90100%1.11250%0.502SS*.  trans-82.70167.652.40000109.9S325S325-S327 PolarHBondContact O-N 3.46Å

Retrieved 327 of 327 residues in 143.4 ms (Link to these results)

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