A0A077ZEG6_TRITR Loading...

Sensory histidine kinase/phosphatase NtrB

Member of the two-component regulatory system NtrB/NtrC, which controls expression of the nitrogen-regulated (ntr) genes in response to nitrogen limitation. Under conditions of nitrogen limitation, NtrB autophosphorylates and transfers the phosphoryl group to NtrC. In the presence of nitrogen, acts as a phosphatase that dephosphorylates and inactivates NtrC.

AlphaFold DB , UniProt , Accession A0A077ZEG6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 349 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
1M42.5Very low70.7Confident227 Ų227114.5 Ų114.5100%1.11870%0.698SS**  0109.10-65.6-175.8-145.800106.6T3M1-T3 PolarHBondContact O-N 2.98Å
2A46.2Very low72.4Confident110 Ų110112.5 Ų112.591%0.90968%0.679SS**  trans-73.392.5-177.500000109.3G4A2-G4 PolarHBondContact O-N 3.11Å; A2-G4 VanDerWaalsContact O-N 3.11Å
3T48.8Very low73.8Confident141 Ų141109.1 Ų109.187%0.86565%0.654SS**  trans-81.370.6168.951.30000108.8M1M1-T3 PolarHBondContact O-N 2.98Å
4G58.1Low75.1Confident59 Ų59106.9 Ų106.961%0.60864%0.637SS**  trans-93.4120.4158.500000107.2A2 Q6A2-G4 PolarHBondContact O-N 3.11Å; A2-G4 VanDerWaalsContact O-N 3.11Å; G4-Q6 PolarHBondContact O-N 3.09Å; G4-Q6 VanDerWaalsContact O-N 3.09Å
5T75.2Confident76.1Confident145 Ų145106.4 Ų106.489%0.8964%0.641SS**  trans-55.2114.7168.738.60000108.3
6Q77.4Confident77.2Confident183 Ų183104.1 Ų104.186%0.85562%0.624SS**PPolyproline II helixtrans-58.5137.8173.4-73.3-179.3-22.600108.5G4 D8G4-Q6 PolarHBondContact O-N 3.09Å; G4-Q6 VanDerWaalsContact O-N 3.09Å; Q6-D8 PolarHBondContact O-N 3.48Å
7P77.8Confident78Confident73 Ų73106.6 Ų106.647%0.47463%0.631SS.*PPolyproline II helixtrans-59139.7175.724.7-32000109.6Q11 I12P7-Q11 HydrophobicContact CB-CB 4.19Å; P7-I12 HydrophobicContact CB-CG1 4.22Å; P7-I12 HydrophobicContact CG-CD1 4.26Å; P7-I12 HydrophobicContact CG-CG1 4.02Å
8D87.7Confident78.9Confident115 Ų115103.3 Ų103.362%0.61561%0.61SS**PPolyproline II helixtrans-64152.5174.5178.830.9000110.3Q6 G10 Q11 I12Q6-D8 PolarHBondContact O-N 3.48Å; D8-G10 PolarHBondContact O-N 2.73Å; D8-G10 VanDerWaalsContact O-N 3.13Å; D8-Q11 WeakPolarHBondContact O-CA 3.37Å; D8-Q11 WeakPolarHBondContact O-CB 3.47Å; D8-Q11 PolarHBondContact O-N 3.24Å; D8-I12 PolarHBondContact O-N 2.87Å; D8-I12 VanDerWaalsContact O-N 3.15Å
9A88.8Confident79.8Confident61 Ų6198.3 Ų98.350%0.50458%0.581SS.*Hα-helixtrans-53.7-36.3-178.600000112.2Q11 I12 L13A9-Q11 PolarHBondContact O-N 3.15Å; A9-I12 PolarHBondContact O-N 3.02Å; A9-L13 WeakPolarHBondContact O-CG 3.44Å; A9-L13 PolarHBondContact O-N 3.25Å
10G87.9Confident80.6Confident29 Ų2994 Ų9430%0.29956%0.555SS.*Hα-helixtrans-63.6-36.5174.800000113.6D8 N14D8-G10 PolarHBondContact O-N 2.73Å; D8-G10 VanDerWaalsContact O-N 3.13Å; G10-N14 VanDerWaalsContact O-CB 3.29Å; G10-N14 WeakPolarHBondContact O-CB 3.45Å; G10-N14 PolarHBondContact O-N 3.18Å; G10-N14 PolarHBondContact O-ND2 3.09Å
11Q87.7Confident81.4Confident116 Ų11689.5 Ų89.554%0.54253%0.529SS..Hα-helixtrans-68.3-37.8174.9-67-178.7-18.400111.3P7 D8 A9 S15P7-Q11 HydrophobicContact CB-CB 4.19Å; D8-Q11 WeakPolarHBondContact O-CA 3.37Å; D8-Q11 WeakPolarHBondContact O-CB 3.47Å; D8-Q11 PolarHBondContact O-N 3.24Å; A9-Q11 PolarHBondContact O-N 3.15Å; Q11-S15 WeakPolarHBondContact O-CB 3.41Å; Q11-S15 PolarHBondContact O-N 3.46Å; Q11-S15 PolarHBondContact O-OG 3.32Å
12I90.3Very high84Confident91 Ų9180.6 Ų80.647%0.46749%0.485SS..Hα-helixtrans-64.1-51.6176.5-60.1173.2000109.9P7 D8 A9 N14 S15 L16P7-I12 HydrophobicContact CB-CG1 4.22Å; P7-I12 HydrophobicContact CG-CD1 4.26Å; P7-I12 HydrophobicContact CG-CG1 4.02Å; D8-I12 PolarHBondContact O-N 2.87Å; D8-I12 VanDerWaalsContact O-N 3.15Å; A9-I12 PolarHBondContact O-N 3.02Å; I12-N14 VanDerWaalsContact C-N 3.29Å; I12-N14 PolarHBondContact O-N 2.94Å; I12-S15 PolarHBondContact O-N 3.34Å; I12-L16 PolarHBondContact O-N 3Å
13L91.1Very high86.4Confident68 Ų6875.4 Ų75.436%0.35644%0.442SS..Hα-helixtrans-58.4-40178.1-73.4172.5000112.6A9 S15 L16 N33A9-L13 WeakPolarHBondContact O-CG 3.44Å; A9-L13 PolarHBondContact O-N 3.25Å; L13-S15 PolarHBondContact O-N 3.35Å; L13-L16 HydrophobicContact CD2-CD1 3.96Å; L13-L16 PolarHBondContact O-N 3.34Å; L13-N33 PolarHBondContact O-ND2 3.13Å
14N91.3Very high88.6Confident79 Ų7970.3 Ų70.342%0.42241%0.41SS..Hα-helixtrans-71.1-15.8178.1-71.8-16.2000113.6G10 I12 Y31 P34G10-N14 VanDerWaalsContact O-CB 3.29Å; G10-N14 WeakPolarHBondContact O-CB 3.45Å; G10-N14 PolarHBondContact O-N 3.18Å; G10-N14 PolarHBondContact O-ND2 3.09Å; I12-N14 VanDerWaalsContact C-N 3.29Å; I12-N14 PolarHBondContact O-N 2.94Å; N14-Y31 PolarHBondContact OD1-OH 2.86Å; N14-Y31 VanDerWaalsContact OD1-OH 3.09Å; N14-P34 HydrophobicContact CB-CG 3.93Å; N14-P34 WeakPolarHBondContact OD1-CD 3.31Å
15S91.3Very high90.3Very high99 Ų9971.3 Ų71.369%0.69240%0.401SS*.THydrogen-bonded Turntrans-97.2-2.8178.5-55.20000113.1Q11 I12 L13Q11-S15 WeakPolarHBondContact O-CB 3.41Å; Q11-S15 PolarHBondContact O-N 3.46Å; Q11-S15 PolarHBondContact O-OG 3.32Å; I12-S15 PolarHBondContact O-N 3.34Å; L13-S15 PolarHBondContact O-N 3.35Å
16L93.3Very high91.2Very high70 Ų7070.6 Ų70.637%0.36639%0.392SS..  trans-68.7140.4176.2-66.4176.8000110.9I12 L13 I20I12-L16 PolarHBondContact O-N 3Å; L13-L16 HydrophobicContact CD2-CD1 3.96Å; L13-L16 PolarHBondContact O-N 3.34Å; L16-I20 HydrophobicContact CD1-CD1 4.42Å; L16-I20 HydrophobicContact CD1-CG1 3.89Å
17I90.9Very high92Very high146 Ų14662.6 Ų62.675%0.74936%0.355SS*.SBendtrans-76.5-32174.4-60.7169.2000110.4A35I17-A35 VanDerWaalsContact O-CB 3.31Å; I17-A35 WeakPolarHBondContact O-CB 3.43Å
18N93.9Very high92.9Very high48 Ų4859.6 Ų59.626%0.25734%0.336SS..SBendtrans-72.9144.4178.2-64.7-5.8000110.1I20 N33 A35 E107N18-I20 HydrophobicContact CB-CD1 4.43Å; N18-I20 PolarHBondContact O-N 3.05Å; N18-N33 PolarHBondContact O-ND2 2.72Å; N18-A35 WeakPolarHBondContact O-CB 3.47Å; N18-E107 HydrophobicContact CB-CG 4.21Å; N18-E107 PolarHBondContact ND2-OE1 3.46Å
19S95.8Very high93.3Very high8 Ų854.1 Ų54.16%0.05631%0.307CS..EExtended strand (participates in β ladder)trans-80.1115.5178.2-65.20000108.7A35 A36 L39 M108S19-A35 VanDerWaalsContact OG-C 3.32Å; S19-A35 PolarHBondContact OG-O 3.11Å; S19-A36 WeakPolarHBondContact OG-CA 3.32Å; S19-A36 PolarHBondContact OG-N 3.31Å; S19-L39 WeakPolarHBondContact OG-CD2 3.32Å; S19-M108 PolarHBondContact N-O 3.17Å; S19-M108 PolarHBondContact O-N 3.28Å
20I97.1Very high93.7Very high12 Ų1254 Ų546%0.06230%0.296CS..EExtended strand (participates in β ladder)trans-108.3124.9179.4-53.7-57.6000108.9L16 N18 A32 N33 L105 L106 E107L16-I20 HydrophobicContact CD1-CD1 4.42Å; L16-I20 HydrophobicContact CD1-CG1 3.89Å; N18-I20 HydrophobicContact CB-CD1 4.43Å; N18-I20 PolarHBondContact O-N 3.05Å; I20-A32 WeakPolarHBondContact O-CA 3.44Å; I20-N33 HydrophobicContact CB-CB 4.3Å; I20-N33 PolarHBondContact N-OD1 3.18Å; I20-N33 PolarHBondContact O-N 3.41Å; I20-L105 HydrophobicContact CG2-CD1 3.59Å; I20-L106 WeakPolarHBondContact CA-O 3.29Å; I20-E107 HydrophobicContact CD1-CB 3.77Å; I20-E107 HydrophobicContact CD1-CG 3.66Å
21L97.2Very high94.1Very high0 Ų056 Ų560%030%0.295CS..EExtended strand (participates in β ladder)trans-118.1144.5171-58.6174.6000110.1I23 I29 Y31 A32 A36 L40 L52 L106 M108L21-I23 HydrophobicContact CB-CG2 4.08Å; L21-I29 HydrophobicContact CD1-CD1 4.34Å; L21-I29 HydrophobicContact CD2-CD1 4.37Å; L21-I29 HydrophobicContact CD2-CG2 4.04Å; L21-Y31 CarbonylContact C-O 3.56Å; L21-Y31 VanDerWaalsContact CA-O 3.26Å; L21-Y31 WeakPolarHBondContact CA-O 3.48Å; L21-A32 HydrophobicContact CD2-CB 3.51Å; L21-A36 HydrophobicContact CD2-CB 3.64Å; L21-A36 HydrophobicContact CG-CB 4.24Å; L21-L40 HydrophobicContact CD1-CD1 4.29Å; L21-L40 HydrophobicContact CD2-CD1 4.12Å; L21-L52 HydrophobicContact CD1-CD1 4.03Å; L21-L52 HydrophobicContact CD1-CD2 4.13Å; L21-L106 HydrophobicContact CB-CB 4.19Å; L21-L106 HydrophobicContact CD1-CD2 4.2Å; L21-L106 PolarHBondContact N-O 3.09Å; L21-L106 PolarHBondContact O-N 3.27Å; L21-M108 HydrophobicContact CD1-CE 3.59Å; L21-M108 HydrophobicContact CD1-SD 4.43Å; L21-M108 HydrophobicContact CG-CE 3.98Å
22L96.7Very high94.5Very high39 Ų3950.6 Ų50.620%0.20427%0.27CS..EExtended strand (participates in β ladder)trans-107.9124.3160.7-167.470.4000106.9H30 Y31 M99 M103 I104 L105L22-H30 PolarHBondContact O-N 3.37Å; L22-Y31 PolarHBondContact N-O 2.9Å; L22-Y31 PolarHBondContact O-N 3.25Å; L22-M99 HydrophobicContact CD1-CG 4.36Å; L22-M103 HydrophobicContact CD1-CB 3.65Å; L22-M103 HydrophobicContact CD1-CG 4.48Å; L22-M103 HydrophobicContact CD2-CB 4.21Å; L22-M103 HydrophobicContact CD2-CG 4.16Å; L22-M103 HydrophobicContact CG-CB 3.84Å; L22-M103 HydrophobicContact CG-CG 4.22Å; L22-I104 WeakPolarHBondContact CA-O 3.5Å; L22-L105 HydrophobicContact CD1-CB 4.47Å; L22-L105 HydrophobicContact CD1-CD1 4.44Å
23I96.9Very high94.8Very high1 Ų146.2 Ų46.21%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-127.8156.9-17869.4-175.8000110.9L21 L27 A28 I29 I104L21-I23 HydrophobicContact CB-CG2 4.08Å; I23-L27 HydrophobicContact CD1-CB 4.46Å; I23-L27 HydrophobicContact CD1-CD2 3.62Å; I23-A28 WeakPolarHBondContact CA-O 3.19Å; I23-I29 HydrophobicContact CG2-CG1 4.02Å; I23-I104 HydrophobicContact CD1-CB 4.42Å; I23-I104 HydrophobicContact CD1-CG2 4.42Å; I23-I104 HydrophobicContact CG1-CB 3.74Å; I23-I104 HydrophobicContact CG1-CG2 4.21Å; I23-I104 PolarHBondContact N-O 2.9Å; I23-I104 PolarHBondContact O-N 2.91Å
24D95.4Very high95Very high34 Ų3445.6 Ų45.618%0.18225%0.248CC..  trans-92.2-176.3170.46427.5000112.2N26 L27 A28 H30 M103D24-N26 PolarHBondContact O-N 2.91Å; D24-N26 WeakPolarHBondContact OD1-CA 3.47Å; D24-N26 WeakPolarHBondContact OD1-CB 3.37Å; D24-N26 PolarHBondContact OD1-N 3.43Å; D24-L27 WeakPolarHBondContact O-CA 3.47Å; D24-L27 PolarHBondContact O-N 3.3Å; D24-L27 PolarHBondContact OD1-N 2.95Å; D24-A28 PolarHBondContact N-O 3.13Å; D24-A28 VanDerWaalsContact N-O 3.11Å; D24-A28 WeakPolarHBondContact OD1-CB 3.22Å; D24-A28 PolarHBondContact OD1-N 3.32Å; D24-H30 IonicContact OD2-CD2 3.8Å; D24-H30 IonicContact OD2-CE1 3.87Å; D24-H30 IonicContact OD2-NE2 2.87Å; D24-H30 PolarHBondContact OD2-NE2 3.03Å; D24-M103 HydrophobicContact CB-SD 3.96Å
25D92.9Very high95.2Very high81 Ų8142.6 Ų42.643%0.43323%0.234SC..THydrogen-bonded Turntrans-65.5-18.7-179.9-66-36.7000113.5Q67 R98D25-Q67 PolarHBondContact O-NE2 2.6Å; D25-R98 IonicContact OD1-CZ 3.66Å; D25-R98 VanDerWaalsContact OD1-CZ 3.24Å; D25-R98 IonicContact OD1-NH1 2.74Å; D25-R98 PolarHBondContact OD1-NH1 2.99Å; D25-R98 IonicContact OD1-NH2 3.18Å; D25-R98 PolarHBondContact OD1-NH2 2.98Å; D25-R98 IonicContact OD2-NH1 3.19Å
26N93.6Very high95.4Very high130 Ų13037.9 Ų37.970%0.69520%0.201SC*.THydrogen-bonded Turntrans-88.88.6171.4-57.1-55.7000112D24 A28D24-N26 PolarHBondContact O-N 2.91Å; D24-N26 WeakPolarHBondContact OD1-CA 3.47Å; D24-N26 WeakPolarHBondContact OD1-CB 3.37Å; D24-N26 PolarHBondContact OD1-N 3.43Å; N26-A28 PolarHBondContact O-N 2.99Å
27L94.2Very high95.5Very high14 Ų1437.1 Ų37.17%0.07320%0.195CC..  trans61.118.4-175.2-49.1175.8000113.8I23 D24 P51 L52 P53 I63 M66I23-L27 HydrophobicContact CD1-CB 4.46Å; I23-L27 HydrophobicContact CD1-CD2 3.62Å; D24-L27 WeakPolarHBondContact O-CA 3.47Å; D24-L27 PolarHBondContact O-N 3.3Å; D24-L27 PolarHBondContact OD1-N 2.95Å; L27-P51 WeakPolarHBondContact O-CA 3.36Å; L27-L52 PolarHBondContact O-N 2.87Å; L27-P53 HydrophobicContact CD1-CG 3.74Å; L27-I63 HydrophobicContact CD1-CD1 3.7Å; L27-I63 HydrophobicContact CD1-CG1 4.1Å; L27-I63 HydrophobicContact CD1-CG2 3.86Å; L27-M66 HydrophobicContact CD2-CE 3.82Å
28A96.7Very high95.7Very high10 Ų1038.2 Ų38.28%0.08320%0.197CC..BIsolated β-bridgetrans-73.9132.9176.500000110.1I23 D24 N26 H30I23-A28 WeakPolarHBondContact CA-O 3.19Å; D24-A28 PolarHBondContact N-O 3.13Å; D24-A28 VanDerWaalsContact N-O 3.11Å; D24-A28 WeakPolarHBondContact OD1-CB 3.22Å; D24-A28 PolarHBondContact OD1-N 3.32Å; N26-A28 PolarHBondContact O-N 2.99Å; A28-H30 PolarHBondContact O-CD2 3.29Å; A28-H30 PolarHBondContact O-N 2.93Å
29I97.3Very high95.6Very high1 Ų137.1 Ų37.11%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-78.5123.5-174.7-59.6168.3000110.4L21 I23 Y31 A32 L40 L47 F48 G49 T50 L52 L55L21-I29 HydrophobicContact CD1-CD1 4.34Å; L21-I29 HydrophobicContact CD2-CD1 4.37Å; L21-I29 HydrophobicContact CD2-CG2 4.04Å; I23-I29 HydrophobicContact CG2-CG1 4.02Å; I29-Y31 WeakPolarHBondContact CG2-O 3.48Å; I29-A32 HydrophobicContact CG2-CB 4.31Å; I29-L40 HydrophobicContact CD1-CD1 4.03Å; I29-L47 WeakPolarHBondContact CB-O 3.49Å; I29-L47 HydrophobicContact CD1-CB 4.34Å; I29-L47 HydrophobicContact CD1-CD2 4.15Å; I29-L47 HydrophobicContact CG2-CB 4.23Å; I29-F48 CarbonylContact O-C 3.54Å; I29-F48 VanDerWaalsContact O-CA 3.26Å; I29-F48 WeakPolarHBondContact O-CA 3.35Å; I29-G49 PolarHBondContact O-N 2.89Å; I29-T50 PolarHBondContact N-O 2.85Å; I29-L52 HydrophobicContact CD1-CB 4.4Å; I29-L52 HydrophobicContact CD1-CD1 4.23Å; I29-L52 HydrophobicContact CG1-CB 4.4Å; I29-L55 HydrophobicContact CD1-CD1 3.6Å
30H96.2Very high95.5Very high58 Ų5837 Ų3727%0.26919%0.19SC..EExtended strand (participates in β ladder)trans-103.8-23.7174.6-72.1-94000112.8L22 D24 A28 F48L22-H30 PolarHBondContact O-N 3.37Å; D24-H30 IonicContact OD2-CD2 3.8Å; D24-H30 IonicContact OD2-CE1 3.87Å; D24-H30 IonicContact OD2-NE2 2.87Å; D24-H30 PolarHBondContact OD2-NE2 3.03Å; A28-H30 PolarHBondContact O-CD2 3.29Å; A28-H30 PolarHBondContact O-N 2.93Å; H30-F48 HydrophobicContact CB-CE2 4.34Å; H30-F48 WeakPolarHBondContact O-CD2 3.22Å; H30-F48 WeakPolarHBondContact O-CE2 3.31Å
31Y95.5Very high95.3Very high71 Ų7138.9 Ų38.928%0.27821%0.208SC..EExtended strand (participates in β ladder)trans-148146.3174172.2-97.4000110.4N14 L21 L22 I29 N33N14-Y31 PolarHBondContact OD1-OH 2.86Å; N14-Y31 VanDerWaalsContact OD1-OH 3.09Å; L21-Y31 CarbonylContact C-O 3.56Å; L21-Y31 VanDerWaalsContact CA-O 3.26Å; L21-Y31 WeakPolarHBondContact CA-O 3.48Å; L22-Y31 PolarHBondContact N-O 2.9Å; L22-Y31 PolarHBondContact O-N 3.25Å; I29-Y31 WeakPolarHBondContact CG2-O 3.48Å; Y31-N33 HydrophobicContact CE1-CB 4.07Å
32A96.6Very high95Very high2 Ų241.9 Ų41.92%0.01722%0.222CC..EExtended strand (participates in β ladder)trans-144.2121.1173.200000109.6I20 L21 I29 A36 Q37 L47I20-A32 WeakPolarHBondContact O-CA 3.44Å; L21-A32 HydrophobicContact CD2-CB 3.51Å; I29-A32 HydrophobicContact CG2-CB 4.31Å; A32-A36 HydrophobicContact CB-CB 4.12Å; A32-Q37 HydrophobicContact CB-CG 4.15Å; A32-Q37 PolarHBondContact O-NE2 3.03Å; A32-L47 HydrophobicContact CB-CD1 3.66Å
33N96.4Very high94.8Very high0 Ų042.9 Ų42.90%023%0.232CC..  trans-68.7168.7173.381.3-22.7000111L13 N18 I20 Y31 A35 A36 Q37L13-N33 PolarHBondContact O-ND2 3.13Å; N18-N33 PolarHBondContact O-ND2 2.72Å; I20-N33 HydrophobicContact CB-CB 4.3Å; I20-N33 PolarHBondContact N-OD1 3.18Å; I20-N33 PolarHBondContact O-N 3.41Å; Y31-N33 HydrophobicContact CE1-CB 4.07Å; N33-A35 VanDerWaalsContact C-N 3.28Å; N33-A35 PolarHBondContact O-N 3.22Å; N33-A36 PolarHBondContact O-N 3.35Å; N33-A36 VanDerWaalsContact O-N 3.13Å; N33-A36 WeakPolarHBondContact OD1-CB 3.26Å; N33-A36 PolarHBondContact OD1-N 3.37Å; N33-Q37 WeakPolarHBondContact O-CG 3.49Å; N33-Q37 PolarHBondContact O-N 3.05Å
34P96.2Very high94.5Very high55 Ų5545.1 Ų45.136%0.35725%0.248SC..Hα-helixtrans-58-36.2-179-27.437.7000113.9N14 Q37 Q38N14-P34 HydrophobicContact CB-CG 3.93Å; N14-P34 WeakPolarHBondContact OD1-CD 3.31Å; P34-Q37 PolarHBondContact O-N 3.22Å; P34-Q38 WeakPolarHBondContact O-CB 3.28Å; P34-Q38 PolarHBondContact O-N 3.16Å
35A95.1Very high94.3Very high15 Ų1554.4 Ų54.412%0.12428%0.28CS..Hα-helixtrans-62.1-44175.300000111.8I17 N18 S19 N33 Q38 L39I17-A35 VanDerWaalsContact O-CB 3.31Å; I17-A35 WeakPolarHBondContact O-CB 3.43Å; N18-A35 WeakPolarHBondContact O-CB 3.47Å; S19-A35 VanDerWaalsContact OG-C 3.32Å; S19-A35 PolarHBondContact OG-O 3.11Å; N33-A35 VanDerWaalsContact C-N 3.28Å; N33-A35 PolarHBondContact O-N 3.22Å; A35-Q38 PolarHBondContact O-N 2.76Å; A35-L39 WeakPolarHBondContact O-CB 3.41Å; A35-L39 PolarHBondContact O-N 2.89Å
36A96.1Very high94.3Very high0 Ų057 Ų570%029%0.287CS..Hα-helixtrans-65.2-39.5175.200000112.5S19 L21 A32 N33 Q38 L39 L40S19-A36 WeakPolarHBondContact OG-CA 3.32Å; S19-A36 PolarHBondContact OG-N 3.31Å; L21-A36 HydrophobicContact CD2-CB 3.64Å; L21-A36 HydrophobicContact CG-CB 4.24Å; A32-A36 HydrophobicContact CB-CB 4.12Å; N33-A36 PolarHBondContact O-N 3.35Å; N33-A36 VanDerWaalsContact O-N 3.13Å; N33-A36 WeakPolarHBondContact OD1-CB 3.26Å; N33-A36 PolarHBondContact OD1-N 3.37Å; A36-Q38 VanDerWaalsContact C-N 3.3Å; A36-Q38 PolarHBondContact O-N 2.99Å; A36-L39 PolarHBondContact O-N 3.16Å; A36-L40 VanDerWaalsContact O-CB 3.32Å; A36-L40 WeakPolarHBondContact O-CB 3.45Å; A36-L40 VanDerWaalsContact O-CG 3.28Å; A36-L40 WeakPolarHBondContact O-CG 3.38Å; A36-L40 PolarHBondContact O-N 3.41Å
37Q95.5Very high94.4Very high55 Ų5550.8 Ų50.826%0.25726%0.255SS..Hα-helixtrans-62-38.8174.5-70.2174.663.700112.1A32 N33 P34 A41 Q42 L47A32-Q37 HydrophobicContact CB-CG 4.15Å; A32-Q37 PolarHBondContact O-NE2 3.03Å; N33-Q37 WeakPolarHBondContact O-CG 3.49Å; N33-Q37 PolarHBondContact O-N 3.05Å; P34-Q37 PolarHBondContact O-N 3.22Å; Q37-A41 PolarHBondContact O-N 3.2Å; Q37-Q42 WeakPolarHBondContact CA-O 3.5Å; Q37-Q42 WeakPolarHBondContact CB-O 3.3Å; Q37-Q42 PolarHBondContact O-N 3.17Å; Q37-L47 HydrophobicContact CG-CD1 3.97Å
38Q93.5Very high94.5Very high168 Ų16856 Ų5679%0.78528%0.277SS*.Hα-helixtrans-68.6-44.7176.4-177.8178.8-18.800111.7P34 A35 A36 A41P34-Q38 WeakPolarHBondContact O-CB 3.28Å; P34-Q38 PolarHBondContact O-N 3.16Å; A35-Q38 PolarHBondContact O-N 2.76Å; A36-Q38 VanDerWaalsContact C-N 3.3Å; A36-Q38 PolarHBondContact O-N 2.99Å; Q38-A41 PolarHBondContact O-N 3.38Å
39L93.1Very high94.4Very high26 Ų2657.6 Ų57.614%0.13629%0.294CS..Hα-helixtrans-60.8-47176.3175.965.9000111.3S19 A35 A36 A41 L83 H90 L92 M108S19-L39 WeakPolarHBondContact OG-CD2 3.32Å; A35-L39 WeakPolarHBondContact O-CB 3.41Å; A35-L39 PolarHBondContact O-N 2.89Å; A36-L39 PolarHBondContact O-N 3.16Å; L39-A41 PolarHBondContact O-N 3.47Å; L39-L83 HydrophobicContact CD1-CD1 4.27Å; L39-L83 HydrophobicContact CD2-CD2 4.17Å; L39-H90 HydrophobicContact CD1-CB 4.35Å; L39-L92 HydrophobicContact CD1-CD1 4.34Å; L39-L92 HydrophobicContact CD2-CD1 3.58Å; L39-M108 HydrophobicContact CD2-CE 3.66Å; L39-M108 HydrophobicContact CD2-SD 4.3Å
40L93.7Very high94.3Very high4 Ų459.3 Ų59.32%0.02130%0.304CS..THydrogen-bonded Turntrans-80.8-0.2-178.1-60.7177.3000113.7L21 I29 A36 Q42 L47 L52 L55 L56 I85L21-L40 HydrophobicContact CD1-CD1 4.29Å; L21-L40 HydrophobicContact CD2-CD1 4.12Å; I29-L40 HydrophobicContact CD1-CD1 4.03Å; A36-L40 VanDerWaalsContact O-CB 3.32Å; A36-L40 WeakPolarHBondContact O-CB 3.45Å; A36-L40 VanDerWaalsContact O-CG 3.28Å; A36-L40 WeakPolarHBondContact O-CG 3.38Å; A36-L40 PolarHBondContact O-N 3.41Å; L40-Q42 WeakPolarHBondContact O-CG 3.26Å; L40-Q42 PolarHBondContact O-N 3.27Å; L40-L47 HydrophobicContact CB-CD1 4.49Å; L40-L47 HydrophobicContact CB-CD2 4.07Å; L40-L47 HydrophobicContact CD1-CD1 3.98Å; L40-L47 HydrophobicContact CD1-CD2 3.71Å; L40-L52 HydrophobicContact CD1-CD1 4.36Å; L40-L52 HydrophobicContact CD2-CD1 4.07Å; L40-L55 HydrophobicContact CD1-CD1 4.41Å; L40-L56 HydrophobicContact CD2-CD2 4.03Å; L40-I85 HydrophobicContact CB-CD1 4.5Å; L40-I85 HydrophobicContact CD2-CD1 3.46Å; L40-I85 VanDerWaalsContact CD2-CD1 3.46Å; L40-I85 HydrophobicContact CG-CD1 4.49Å
41A92.4Very high94.3Very high53 Ų5358.2 Ų58.244%0.43830%0.303SS..THydrogen-bonded Turntrans51.226.6-178.300000115.1Q37 Q38 L39Q37-A41 PolarHBondContact O-N 3.2Å; Q38-A41 PolarHBondContact O-N 3.38Å; L39-A41 PolarHBondContact O-N 3.47Å
42Q91.9Very high94.2Very high62 Ų6255 Ų5529%0.2929%0.29SS..SBendtrans-134.7148.5-178.6-63-61.6-30.800111.6Q37 L40 K46 L47Q37-Q42 WeakPolarHBondContact CA-O 3.5Å; Q37-Q42 WeakPolarHBondContact CB-O 3.3Å; Q37-Q42 PolarHBondContact O-N 3.17Å; L40-Q42 WeakPolarHBondContact O-CG 3.26Å; L40-Q42 PolarHBondContact O-N 3.27Å; Q42-K46 HydrophobicContact CB-CB 4.43Å; Q42-L47 HydrophobicContact CB-CD2 3.77Å; Q42-L47 HydrophobicContact CB-CG 3.96Å; Q42-L47 HydrophobicContact CG-CD2 4.39Å
43S91.9Very high94Very high60 Ų6057.3 Ų57.342%0.4231%0.305SS..  trans-68.2149.2173.264.80000111.4R45 K46 L47S43-R45 PolarHBondContact O-N 3.36Å; S43-K46 PolarHBondContact O-N 2.96Å; S43-L47 PolarHBondContact O-N 2.87Å
44S90.2Very high93.8Very high49 Ų4964.3 Ų64.334%0.34334%0.338SS..Hα-helixtrans-46-40.8174.1171.70000114K46 L47 F48S44-K46 VanDerWaalsContact C-N 3.3Å; S44-K46 PolarHBondContact O-N 2.75Å; S44-L47 PolarHBondContact O-N 3.18Å; S44-F48 PolarHBondContact O-N 2.87Å
45R92.4Very high93.6Very high229 Ų22963.9 Ų63.986%0.86433%0.332SS*.Hα-helixtrans-61.8-33.3179-177176.6178.3173.21.2113.9S43S43-R45 PolarHBondContact O-N 3.36Å
46K92.7Very high93.5Very high134 Ų13464 Ų6458%0.58333%0.331SS*.Hα-helixtrans-83-29.5178.4-76-175.1174.6-173.70112.2Q42 S43 S44 T50Q42-K46 HydrophobicContact CB-CB 4.43Å; S43-K46 PolarHBondContact O-N 2.96Å; S44-K46 VanDerWaalsContact C-N 3.3Å; S44-K46 PolarHBondContact O-N 2.75Å; K46-T50 PolarHBondContact O-OG1 3.48Å; K46-T50 VanDerWaalsContact O-OG1 3.11Å
47L94.5Very high93.2Very high1 Ų168 Ų681%0.00536%0.359CS..Hα-helixtrans-72.4-36.2176.5-66175.4000111.4I29 A32 Q37 L40 Q42 S43 S44 G49 T50 L55I29-L47 WeakPolarHBondContact CB-O 3.49Å; I29-L47 HydrophobicContact CD1-CB 4.34Å; I29-L47 HydrophobicContact CD1-CD2 4.15Å; I29-L47 HydrophobicContact CG2-CB 4.23Å; A32-L47 HydrophobicContact CB-CD1 3.66Å; Q37-L47 HydrophobicContact CG-CD1 3.97Å; L40-L47 HydrophobicContact CB-CD1 4.49Å; L40-L47 HydrophobicContact CB-CD2 4.07Å; L40-L47 HydrophobicContact CD1-CD1 3.98Å; L40-L47 HydrophobicContact CD1-CD2 3.71Å; Q42-L47 HydrophobicContact CB-CD2 3.77Å; Q42-L47 HydrophobicContact CB-CG 3.96Å; Q42-L47 HydrophobicContact CG-CD2 4.39Å; S43-L47 PolarHBondContact O-N 2.87Å; S44-L47 PolarHBondContact O-N 3.18Å; L47-G49 PolarHBondContact O-N 2.79Å; L47-G49 VanDerWaalsContact O-N 3.16Å; L47-T50 PolarHBondContact O-N 2.81Å; L47-L55 HydrophobicContact CD2-CD1 3.38Å; L47-L55 HydrophobicContact CD2-CD2 4.46Å
48F95.8Very high93.1Very high124 Ų12468.7 Ų68.754%0.54436%0.36SS..BIsolated β-bridgetrans-57.8119.3-174.9-169.3-87.1000112.3I29 H30 S44 T50I29-F48 CarbonylContact O-C 3.54Å; I29-F48 VanDerWaalsContact O-CA 3.26Å; I29-F48 WeakPolarHBondContact O-CA 3.35Å; H30-F48 HydrophobicContact CB-CE2 4.34Å; H30-F48 WeakPolarHBondContact O-CD2 3.22Å; H30-F48 WeakPolarHBondContact O-CE2 3.31Å; S44-F48 PolarHBondContact O-N 2.87Å; F48-T50 VanDerWaalsContact C-N 3.32Å
49G95.4Very high93.1Very high43 Ų4362.3 Ų62.344%0.44333%0.329SS..THydrogen-bonded Turntrans83.3-3.2-179.100000115.1I29 L47I29-G49 PolarHBondContact O-N 2.89Å; L47-G49 PolarHBondContact O-N 2.79Å; L47-G49 VanDerWaalsContact O-N 3.16Å
50T95.8Very high93Very high36 Ų3662.9 Ų62.922%0.22134%0.336CS..  trans-88.4129.8178.2-53.50000110.4I29 K46 L47 F48 L52 E54 L55I29-T50 PolarHBondContact N-O 2.85Å; K46-T50 PolarHBondContact O-OG1 3.48Å; K46-T50 VanDerWaalsContact O-OG1 3.11Å; L47-T50 PolarHBondContact O-N 2.81Å; F48-T50 VanDerWaalsContact C-N 3.32Å; T50-L52 PolarHBondContact O-N 2.82Å; T50-E54 HydrophobicContact CG2-CB 4.46Å; T50-L55 HydrophobicContact CG2-CD1 4.39Å; T50-L55 HydrophobicContact CG2-CD2 3.68Å; T50-L55 HydrophobicContact CG2-CG 3.88Å
51P95.3Very high93Very high36 Ų3663.2 Ų63.223%0.23434%0.337CS..BIsolated β-bridgetrans-58.5129.1171.8-24.735.2000111.7L27 P53 E54L27-P51 WeakPolarHBondContact O-CA 3.36Å; P51-P53 VanDerWaalsContact C-CD 3.49Å; P51-P53 VanDerWaalsContact C-N 3.35Å; P51-E54 HydrophobicContact CB-CG 4.1Å; P51-E54 HydrophobicContact CG-CG 4.4Å; P51-E54 WeakPolarHBondContact O-CB 3.33Å; P51-E54 PolarHBondContact O-N 2.77Å
52L93.8Very high92.9Very high3 Ų364.4 Ų64.42%0.01634%0.336CS..G310 helixtrans-51.9-45.1-179174.663.5000113L21 L27 I29 L40 T50 E54 L55 L56 F59 L106L21-L52 HydrophobicContact CD1-CD1 4.03Å; L21-L52 HydrophobicContact CD1-CD2 4.13Å; L27-L52 PolarHBondContact O-N 2.87Å; I29-L52 HydrophobicContact CD1-CB 4.4Å; I29-L52 HydrophobicContact CD1-CD1 4.23Å; I29-L52 HydrophobicContact CG1-CB 4.4Å; L40-L52 HydrophobicContact CD1-CD1 4.36Å; L40-L52 HydrophobicContact CD2-CD1 4.07Å; T50-L52 PolarHBondContact O-N 2.82Å; L52-E54 PolarHBondContact O-N 3.03Å; L52-L55 WeakPolarHBondContact O-CB 3.43Å; L52-L55 PolarHBondContact O-N 2.74Å; L52-L55 VanDerWaalsContact O-N 3.12Å; L52-L56 HydrophobicContact CD1-CD1 4.15Å; L52-L56 HydrophobicContact CD1-CG 4.45Å; L52-L56 HydrophobicContact CG-CD1 4.17Å; L52-L56 WeakPolarHBondContact O-CG 3.35Å; L52-F59 HydrophobicContact CD2-CE1 4.19Å; L52-F59 HydrophobicContact CD2-CZ 4.12Å; L52-L106 HydrophobicContact CD2-CD2 3.88Å
53P92.4Very high93Very high50 Ų5063.8 Ų63.833%0.32533%0.334SS..G310 helixtrans-62.1-25.1179.7-24.435.7000114.9L27 P51 L55 L56 I63L27-P53 HydrophobicContact CD1-CG 3.74Å; P51-P53 VanDerWaalsContact C-CD 3.49Å; P51-P53 VanDerWaalsContact C-N 3.35Å; P53-L55 VanDerWaalsContact C-N 3.25Å; P53-L55 PolarHBondContact O-N 3.39Å; P53-L56 PolarHBondContact O-N 3.19Å; P53-L56 VanDerWaalsContact O-O 3.12Å; P53-I63 HydrophobicContact CG-CD1 4.06Å
54E92.4Very high93Very high148 Ų14867.6 Ų67.669%0.69235%0.345SS*.G310 helixtrans-73.3-20178.6-68-178.4-176.400112.8T50 P51 L52 L56T50-E54 HydrophobicContact CG2-CB 4.46Å; P51-E54 HydrophobicContact CB-CG 4.1Å; P51-E54 HydrophobicContact CG-CG 4.4Å; P51-E54 WeakPolarHBondContact O-CB 3.33Å; P51-E54 PolarHBondContact O-N 2.77Å; L52-E54 PolarHBondContact O-N 3.03Å; E54-L56 VanDerWaalsContact C-N 3.33Å
55L91.8Very high93Very high46 Ų4669.4 Ų69.424%0.24135%0.351CS..G310 helixtrans-84.3-12.4178.1-60.7172.7000112.5I29 L40 L47 T50 L52 P53I29-L55 HydrophobicContact CD1-CD1 3.6Å; L40-L55 HydrophobicContact CD1-CD1 4.41Å; L47-L55 HydrophobicContact CD2-CD1 3.38Å; L47-L55 HydrophobicContact CD2-CD2 4.46Å; T50-L55 HydrophobicContact CG2-CD1 4.39Å; T50-L55 HydrophobicContact CG2-CD2 3.68Å; T50-L55 HydrophobicContact CG2-CG 3.88Å; L52-L55 WeakPolarHBondContact O-CB 3.43Å; L52-L55 PolarHBondContact O-N 2.74Å; L52-L55 VanDerWaalsContact O-N 3.12Å; P53-L55 VanDerWaalsContact C-N 3.25Å; P53-L55 PolarHBondContact O-N 3.39Å
56L92.8Very high93.1Very high17 Ų1758.6 Ų58.69%0.08931%0.31CS..  trans-113.6134.3-171.1-50.3178.3000109.1L40 L52 P53 E54 F59 L83 V84 I85L40-L56 HydrophobicContact CD2-CD2 4.03Å; L52-L56 HydrophobicContact CD1-CD1 4.15Å; L52-L56 HydrophobicContact CD1-CG 4.45Å; L52-L56 HydrophobicContact CG-CD1 4.17Å; L52-L56 WeakPolarHBondContact O-CG 3.35Å; P53-L56 PolarHBondContact O-N 3.19Å; P53-L56 VanDerWaalsContact O-O 3.12Å; E54-L56 VanDerWaalsContact C-N 3.33Å; L56-F59 HydrophobicContact CB-CB 4.41Å; L56-F59 HydrophobicContact CD1-CB 3.65Å; L56-F59 HydrophobicContact CD1-CD1 4.02Å; L56-F59 HydrophobicContact CD1-CD2 3.59Å; L56-F59 HydrophobicContact CD1-CE2 4.16Å; L56-F59 HydrophobicContact CD1-CG 3.5Å; L56-L83 HydrophobicContact CD1-CB 4.31Å; L56-L83 HydrophobicContact CD2-CB 4.46Å; L56-V84 WeakPolarHBondContact CA-O 3.37Å; L56-I85 HydrophobicContact CD2-CD1 3.29Å; L56-I85 HydrophobicContact CD2-CG1 3.32Å
57S90.9Very high93.1Very high84 Ų8454.9 Ų54.959%0.58730%0.295SS*.SBendtrans-75.9-20.1171.156.10000112.2V84S57-V84 PolarHBondContact N-O 2.7Å; S57-V84 WeakPolarHBondContact OG-CB 3.21Å; S57-V84 WeakPolarHBondContact OG-CG1 3.38Å; S57-V84 PolarHBondContact OG-O 2.82Å
58Y92.2Very high92.9Very high70 Ų7060.8 Ų60.828%0.27532%0.322SS..EExtended strand (participates in β ladder)trans-155.6143.1172.4177.9-108.6000110T82 L83 V84 W335 P336Y58-T82 HydrophobicContact CD1-CG2 4.1Å; Y58-T82 HydrophobicContact CE1-CG2 4.13Å; Y58-L83 CarbonylContact O-C 3.48Å; Y58-L83 WeakPolarHBondContact O-CA 3.2Å; Y58-V84 HydrophobicContact CD1-CG2 4.08Å; Y58-V84 HydrophobicContact CG-CG2 4.42Å; Y58-V84 PolarHBondContact O-N 2.76Å; Y58-W335 HydrophobicContact CD1-CB 3.65Å; Y58-W335 HydrophobicContact CD1-CG 4.36Å; Y58-W335 HydrophobicContact CD2-CB 4.47Å; Y58-W335 HydrophobicContact CE1-CB 3.93Å; Y58-W335 HydrophobicContact CG-CB 3.93Å; Y58-W335 HydrophobicContact CG-CG 4.4Å; Y58-P336 HydrophobicContact CD2-CG 4.37Å; Y58-P336 VanDerWaalsContact CE2-CD 3.43Å; Y58-P336 HydrophobicContact CE2-CG 3.88Å
59F93Very high92.6Very high33 Ų3355.9 Ų55.915%0.14530%0.303CS..EExtended strand (participates in β ladder)trans-146.2112.8177.1-170.2-143000109.3L52 L56 L61 V81 T82 L83L52-F59 HydrophobicContact CD2-CE1 4.19Å; L52-F59 HydrophobicContact CD2-CZ 4.12Å; L56-F59 HydrophobicContact CB-CB 4.41Å; L56-F59 HydrophobicContact CD1-CB 3.65Å; L56-F59 HydrophobicContact CD1-CD1 4.02Å; L56-F59 HydrophobicContact CD1-CD2 3.59Å; L56-F59 HydrophobicContact CD1-CE2 4.16Å; L56-F59 HydrophobicContact CD1-CG 3.5Å; F59-L61 VanDerWaalsContact C-N 3.29Å; F59-L61 HydrophobicContact CD1-CB 4.06Å; F59-L61 HydrophobicContact CD2-CB 4.23Å; F59-L61 HydrophobicContact CE1-CB 3.62Å; F59-L61 HydrophobicContact CE1-CD2 3.72Å; F59-L61 HydrophobicContact CE1-CG 4.26Å; F59-L61 HydrophobicContact CE2-CB 3.82Å; F59-L61 HydrophobicContact CE2-CD2 4.49Å; F59-L61 HydrophobicContact CG-CB 4.35Å; F59-L61 HydrophobicContact CZ-CB 3.49Å; F59-L61 VanDerWaalsContact CZ-CB 3.49Å; F59-L61 HydrophobicContact CZ-CD2 3.51Å; F59-L61 HydrophobicContact CZ-CG 4.12Å; F59-L61 PolarHBondContact O-N 2.83Å; F59-V81 HydrophobicContact CD2-CG1 3.79Å; F59-V81 HydrophobicContact CE2-CG1 3.43Å; F59-V81 VanDerWaalsContact CE2-CG1 3.43Å; F59-V81 HydrophobicContact CZ-CG1 4.34Å; F59-T82 WeakPolarHBondContact CA-O 3.38Å; F59-L83 HydrophobicContact CD2-CB 4.06Å
60S92.1Very high92.5Very high39 Ų3953.9 Ų53.927%0.27328%0.283SS..  trans-82.3-4.8-173.375.60000114.2N62 V81 T82S60-N62 PolarHBondContact O-N 3.11Å; S60-V81 WeakPolarHBondContact OG-CA 3.44Å; S60-T82 PolarHBondContact N-O 2.83Å; S60-T82 PolarHBondContact OG-N 3.27Å
61L92.4Very high92.3Very high11 Ų1159.5 Ų59.56%0.05831%0.306CS..  trans-63.9130.9-177.2-179.167.4000110.6F59 I63 M66 F76 D78 V81 V94F59-L61 VanDerWaalsContact C-N 3.29Å; F59-L61 HydrophobicContact CD1-CB 4.06Å; F59-L61 HydrophobicContact CD2-CB 4.23Å; F59-L61 HydrophobicContact CE1-CB 3.62Å; F59-L61 HydrophobicContact CE1-CD2 3.72Å; F59-L61 HydrophobicContact CE1-CG 4.26Å; F59-L61 HydrophobicContact CE2-CB 3.82Å; F59-L61 HydrophobicContact CE2-CD2 4.49Å; F59-L61 HydrophobicContact CG-CB 4.35Å; F59-L61 HydrophobicContact CZ-CB 3.49Å; F59-L61 VanDerWaalsContact CZ-CB 3.49Å; F59-L61 HydrophobicContact CZ-CD2 3.51Å; F59-L61 HydrophobicContact CZ-CG 4.12Å; F59-L61 PolarHBondContact O-N 2.83Å; L61-I63 PolarHBondContact O-N 3.32Å; L61-M66 HydrophobicContact CD2-SD 3.89Å; L61-F76 HydrophobicContact CD1-CE1 3.45Å; L61-F76 VanDerWaalsContact CD1-CE1 3.45Å; L61-F76 HydrophobicContact CD1-CZ 3.81Å; L61-D78 HydrophobicContact CD1-CB 3.92Å; L61-V81 HydrophobicContact CB-CG1 3.85Å; L61-V81 HydrophobicContact CB-CG2 4.25Å; L61-V81 HydrophobicContact CD1-CG2 3.78Å; L61-V94 HydrophobicContact CD2-CG1 4.24Å
62N92Very high92Very high78 Ų7861.1 Ų61.142%0.41732%0.323SS..  trans-75.193.3171.3-171.4-26.6000110.2S60 E64 L65 M66S60-N62 PolarHBondContact O-N 3.11Å; N62-E64 VanDerWaalsContact C-N 3.33Å; N62-E64 PolarHBondContact O-N 2.87Å; N62-E64 PolarHBondContact OD1-N 2.92Å; N62-L65 HydrophobicContact CB-CB 3.98Å; N62-L65 VanDerWaalsContact CG-CB 3.47Å; N62-L65 PolarHBondContact O-N 2.86Å; N62-L65 WeakPolarHBondContact OD1-CB 3.48Å; N62-L65 PolarHBondContact OD1-N 2.81Å; N62-M66 PolarHBondContact O-N 2.82Å
63I92.7Very high91.8Very high48 Ų4864.3 Ų64.325%0.24636%0.357CS..Hα-helixtrans-60.9-41.4-178.5-65.5167000111.3L27 P53 L61 M66 Q67L27-I63 HydrophobicContact CD1-CD1 3.7Å; L27-I63 HydrophobicContact CD1-CG1 4.1Å; L27-I63 HydrophobicContact CD1-CG2 3.86Å; P53-I63 HydrophobicContact CG-CD1 4.06Å; L61-I63 PolarHBondContact O-N 3.32Å; I63-M66 PolarHBondContact O-N 2.77Å; I63-Q67 HydrophobicContact CG2-CG 4.32Å; I63-Q67 WeakPolarHBondContact O-CB 3.32Å; I63-Q67 WeakPolarHBondContact O-CG 3.43Å; I63-Q67 PolarHBondContact O-N 2.99Å
64E92.3Very high91.6Very high140 Ų14068.1 Ų68.165%0.65437%0.37SS*.Hα-helixtrans-61.7-49.8-179.6-64.9176.8176.600110.6N62 M66 Q67 E68N62-E64 VanDerWaalsContact C-N 3.33Å; N62-E64 PolarHBondContact O-N 2.87Å; N62-E64 PolarHBondContact OD1-N 2.92Å; E64-M66 VanDerWaalsContact C-N 3.31Å; E64-M66 PolarHBondContact O-N 3Å; E64-Q67 PolarHBondContact O-N 2.96Å; E64-E68 WeakPolarHBondContact O-CG 3.42Å; E64-E68 PolarHBondContact O-N 2.83Å
65L90.9Very high91.4Very high87 Ų8763.5 Ų63.546%0.45536%0.362SS..Hα-helixtrans-62.5-38.2178-177.164.4000112.2N62 S69 F76N62-L65 HydrophobicContact CB-CB 3.98Å; N62-L65 VanDerWaalsContact CG-CB 3.47Å; N62-L65 PolarHBondContact O-N 2.86Å; N62-L65 WeakPolarHBondContact OD1-CB 3.48Å; N62-L65 PolarHBondContact OD1-N 2.81Å; L65-S69 WeakPolarHBondContact O-CB 3.4Å; L65-S69 PolarHBondContact O-N 3.03Å; L65-S69 VanDerWaalsContact O-N 3.07Å; L65-F76 HydrophobicContact CB-CE2 4.43Å; L65-F76 HydrophobicContact CD2-CE2 4.01Å; L65-F76 HydrophobicContact CG-CE2 3.94Å
66M93.5Very high91.6Very high2 Ų262 Ų621%0.0135%0.354CS..Hα-helixtrans-62.3-49174.1-178.6-170.37200110.8L27 L61 N62 I63 E64 S69 L70 F76 A96 L106L27-M66 HydrophobicContact CD2-CE 3.82Å; L61-M66 HydrophobicContact CD2-SD 3.89Å; N62-M66 PolarHBondContact O-N 2.82Å; I63-M66 PolarHBondContact O-N 2.77Å; E64-M66 VanDerWaalsContact C-N 3.31Å; E64-M66 PolarHBondContact O-N 3Å; M66-S69 PolarHBondContact O-N 3.11Å; M66-L70 HydrophobicContact CG-CD1 3.83Å; M66-L70 HydrophobicContact CG-CG 4.41Å; M66-L70 WeakPolarHBondContact O-CB 3.47Å; M66-L70 WeakPolarHBondContact O-CG 3.44Å; M66-L70 PolarHBondContact O-N 3.33Å; M66-L70 HydrophobicContact SD-CD1 4.46Å; M66-F76 HydrophobicContact CB-CD1 3.94Å; M66-F76 HydrophobicContact CB-CD2 4.11Å; M66-F76 HydrophobicContact CB-CE1 4.18Å; M66-F76 HydrophobicContact CB-CE2 4.3Å; M66-F76 HydrophobicContact CB-CG 3.91Å; M66-F76 HydrophobicContact CB-CZ 4.32Å; M66-F76 HydrophobicContact CG-CB 4.04Å; M66-F76 HydrophobicContact CG-CD1 3.72Å; M66-F76 HydrophobicContact CG-CD2 4.5Å; M66-F76 HydrophobicContact CG-CE1 4.35Å; M66-F76 HydrophobicContact CG-CG 3.81Å; M66-A96 HydrophobicContact CG-CB 3.84Å; M66-A96 HydrophobicContact SD-CB 3.63Å; M66-L106 HydrophobicContact SD-CD1 4.05Å
67Q92.1Very high91.6Very high56 Ų5664.7 Ų64.726%0.26237%0.371SS..Hα-helixtrans-62.1-46.8179.9-75176.1-3100111.7D25 I63 E64 S69 L70 E71D25-Q67 PolarHBondContact O-NE2 2.6Å; I63-Q67 HydrophobicContact CG2-CG 4.32Å; I63-Q67 WeakPolarHBondContact O-CB 3.32Å; I63-Q67 WeakPolarHBondContact O-CG 3.43Å; I63-Q67 PolarHBondContact O-N 2.99Å; E64-Q67 PolarHBondContact O-N 2.96Å; Q67-S69 VanDerWaalsContact C-N 3.33Å; Q67-S69 PolarHBondContact O-N 3.15Å; Q67-L70 PolarHBondContact O-N 2.83Å; Q67-E71 WeakPolarHBondContact O-CG 3.26Å; Q67-E71 PolarHBondContact O-N 3.34Å
68E91.6Very high91.6Very high125 Ų12562.9 Ų62.958%0.58436%0.355SS*.Hα-helixtrans-57-44.5176.1-73.4179.5178.800112.2E64 E71 A72E64-E68 WeakPolarHBondContact O-CG 3.42Å; E64-E68 PolarHBondContact O-N 2.83Å; E68-E71 PolarHBondContact O-N 3.48Å; E68-A72 PolarHBondContact O-N 3.44Å; E68-A72 VanDerWaalsContact O-N 3.07Å
69S88.8Confident91.3Very high21 Ų2163.4 Ų63.415%0.14736%0.362CS..Hα-helixtrans-64-43.2178.2-175.10000112L65 M66 Q67 A72 G73 Q74L65-S69 WeakPolarHBondContact O-CB 3.4Å; L65-S69 PolarHBondContact O-N 3.03Å; L65-S69 VanDerWaalsContact O-N 3.07Å; M66-S69 PolarHBondContact O-N 3.11Å; Q67-S69 VanDerWaalsContact C-N 3.33Å; Q67-S69 PolarHBondContact O-N 3.15Å; S69-A72 PolarHBondContact O-N 3.18Å; S69-G73 PolarHBondContact O-N 2.92Å; S69-Q74 CarbonylContact C-O 3.59Å; S69-Q74 WeakPolarHBondContact O-CB 3.46Å; S69-Q74 PolarHBondContact O-N 3.41Å
70L93.3Very high91Very high2 Ų266.7 Ų66.71%0.0138%0.378CS..Hα-helixtrans-68.2-36.2178.7-67.8172.2000112.5M66 Q67 A72 G73 A96 R98 I104M66-L70 HydrophobicContact CG-CD1 3.83Å; M66-L70 HydrophobicContact CG-CG 4.41Å; M66-L70 WeakPolarHBondContact O-CB 3.47Å; M66-L70 WeakPolarHBondContact O-CG 3.44Å; M66-L70 PolarHBondContact O-N 3.33Å; M66-L70 HydrophobicContact SD-CD1 4.46Å; Q67-L70 PolarHBondContact O-N 2.83Å; L70-A72 VanDerWaalsContact C-N 3.33Å; L70-G73 PolarHBondContact O-N 2.89Å; L70-G73 VanDerWaalsContact O-N 3.1Å; L70-A96 HydrophobicContact CD1-CB 4.11Å; L70-A96 HydrophobicContact CD2-CB 4.26Å; L70-R98 HydrophobicContact CD2-CB 4.26Å; L70-I104 HydrophobicContact CD1-CD1 3.81Å; L70-I104 HydrophobicContact CD1-CG1 4.02Å; L70-I104 HydrophobicContact CD1-CG2 3.7Å
71E91.1Very high90.9Very high153 Ų15364.8 Ų64.872%0.71537%0.365SS*.Hα-helixtrans-66.4-34.5173.7-75.5-179.5-178.700112.1Q67 E68 G73Q67-E71 WeakPolarHBondContact O-CG 3.26Å; Q67-E71 PolarHBondContact O-N 3.34Å; E68-E71 PolarHBondContact O-N 3.48Å; E71-G73 PolarHBondContact O-N 3.11Å; E71-G73 VanDerWaalsContact O-N 3.17Å
72A90.7Very high90.8Very high71 Ų7165.6 Ų65.659%0.58737%0.37SS*.THydrogen-bonded Turntrans-722.5171.400000113.6E68 S69 L70 Q74E68-A72 PolarHBondContact O-N 3.44Å; E68-A72 VanDerWaalsContact O-N 3.07Å; S69-A72 PolarHBondContact O-N 3.18Å; L70-A72 VanDerWaalsContact C-N 3.33Å; A72-Q74 VanDerWaalsContact C-N 3.27Å; A72-Q74 PolarHBondContact O-N 3.21Å
73G88Confident90.9Very high70 Ų7061.9 Ų61.972%0.72235%0.35SS*.THydrogen-bonded Turntrans7317.8-179.300000113.7S69 L70 E71S69-G73 PolarHBondContact O-N 2.92Å; L70-G73 PolarHBondContact O-N 2.89Å; L70-G73 VanDerWaalsContact O-N 3.1Å; E71-G73 PolarHBondContact O-N 3.11Å; E71-G73 VanDerWaalsContact O-N 3.17Å
74Q88.2Confident90.9Very high129 Ų12959.6 Ų59.660%0.60334%0.339SS*.  trans-100.8148.2178.5-61.9-178.8-11.700110.1S69 A72S69-Q74 CarbonylContact C-O 3.59Å; S69-Q74 WeakPolarHBondContact O-CB 3.46Å; S69-Q74 PolarHBondContact O-N 3.41Å; A72-Q74 VanDerWaalsContact C-N 3.27Å; A72-Q74 PolarHBondContact O-N 3.21Å
75G89.7Confident90.8Very high51 Ų5153.5 Ų53.553%0.52631%0.31SS..  trans-72.1146.7166.300000109.8A96G75-A96 WeakPolarHBondContact CA-O 3.43Å
76F94.4Very high90.6Very high16 Ų1655.3 Ų55.37%0.0732%0.321CS..EExtended strand (participates in β ladder)trans-108.1143.2175.3172.8-86.8000109.3L61 L65 M66 D78 T95 A96L61-F76 HydrophobicContact CD1-CE1 3.45Å; L61-F76 VanDerWaalsContact CD1-CE1 3.45Å; L61-F76 HydrophobicContact CD1-CZ 3.81Å; L65-F76 HydrophobicContact CB-CE2 4.43Å; L65-F76 HydrophobicContact CD2-CE2 4.01Å; L65-F76 HydrophobicContact CG-CE2 3.94Å; M66-F76 HydrophobicContact CB-CD1 3.94Å; M66-F76 HydrophobicContact CB-CD2 4.11Å; M66-F76 HydrophobicContact CB-CE1 4.18Å; M66-F76 HydrophobicContact CB-CE2 4.3Å; M66-F76 HydrophobicContact CB-CG 3.91Å; M66-F76 HydrophobicContact CB-CZ 4.32Å; M66-F76 HydrophobicContact CG-CB 4.04Å; M66-F76 HydrophobicContact CG-CD1 3.72Å; M66-F76 HydrophobicContact CG-CD2 4.5Å; M66-F76 HydrophobicContact CG-CE1 4.35Å; M66-F76 HydrophobicContact CG-CG 3.81Å; F76-D78 HydrophobicContact CE1-CB 3.72Å; F76-D78 HydrophobicContact CZ-CB 3.83Å; F76-T95 CarbonylContact O-C 3.59Å; F76-T95 VanDerWaalsContact O-CA 3.32Å; F76-T95 WeakPolarHBondContact O-CA 3.32Å; F76-A96 HydrophobicContact CB-CB 4.26Å; F76-A96 HydrophobicContact CD1-CB 4.44Å; F76-A96 PolarHBondContact N-O 3.43Å; F76-A96 PolarHBondContact O-N 2.98Å
77T92.8Very high90.2Very high72 Ų7257.6 Ų57.644%0.44235%0.345SS..EExtended strand (participates in β ladder)trans-145.5124.9170.8-64.40000110V94 T95T77-V94 WeakPolarHBondContact CA-O 3.36Å; T77-T95 WeakPolarHBondContact CG2-OG1 3.47Å; T77-T95 WeakPolarHBondContact OG1-CG2 3.19Å; T77-T95 PolarHBondContact OG1-OG1 2.84Å
78D90.8Very high89.9Confident46 Ų4663.9 Ų63.925%0.24637%0.366CS..EExtended strand (participates in β ladder)trans-109.2129.7165.6-166.5-21.5000108.3L61 F76 E80 V81 S93 V94L61-D78 HydrophobicContact CD1-CB 3.92Å; F76-D78 HydrophobicContact CE1-CB 3.72Å; F76-D78 HydrophobicContact CZ-CB 3.83Å; D78-E80 PolarHBondContact OD1-N 2.98Å; D78-V81 HydrophobicContact CB-CG2 3.61Å; D78-S93 CarbonylContact O-C 3.53Å; D78-S93 VanDerWaalsContact O-CA 3.27Å; D78-S93 WeakPolarHBondContact O-CA 3.27Å; D78-S93 PolarHBondContact O-OG 2.8Å; D78-S93 VanDerWaalsContact O-OG 3.09Å; D78-V94 PolarHBondContact N-O 2.78Å; D78-V94 PolarHBondContact O-N 2.87Å
79N86.7Confident89.7Confident82 Ų8259.6 Ų59.644%0.43935%0.35SS..EExtended strand (participates in β ladder)trans-88.3-10.7-176.7-71.3-74.4000112.7
80E86.5Confident89.7Confident101 Ų10161.8 Ų61.847%0.47236%0.358SS..EExtended strand (participates in β ladder)trans-144.374.9-171.8-165.3167.9-179.900111.5D78 I91 M111D78-E80 PolarHBondContact OD1-N 2.98Å; E80-I91 HydrophobicContact CG-CG2 3.85Å; E80-M111 HydrophobicContact CG-SD 4.41Å
81V90.7Very high89.4Confident0 Ų065.4 Ų65.40%038%0.376CS..EExtended strand (participates in β ladder)trans-102121.2174.8-178.60000109.7F59 S60 L61 D78 I91 L92 V94F59-V81 HydrophobicContact CD2-CG1 3.79Å; F59-V81 HydrophobicContact CE2-CG1 3.43Å; F59-V81 VanDerWaalsContact CE2-CG1 3.43Å; F59-V81 HydrophobicContact CZ-CG1 4.34Å; S60-V81 WeakPolarHBondContact OG-CA 3.44Å; L61-V81 HydrophobicContact CB-CG1 3.85Å; L61-V81 HydrophobicContact CB-CG2 4.25Å; L61-V81 HydrophobicContact CD1-CG2 3.78Å; D78-V81 HydrophobicContact CB-CG2 3.61Å; V81-I91 WeakPolarHBondContact O-CA 3.48Å; V81-L92 PolarHBondContact N-O 3.44Å; V81-L92 PolarHBondContact O-N 2.93Å; V81-V94 HydrophobicContact CB-CB 4.48Å; V81-V94 HydrophobicContact CB-CG2 3.68Å; V81-V94 HydrophobicContact CG1-CG2 4.03Å; V81-V94 HydrophobicContact CG2-CB 3.88Å; V81-V94 HydrophobicContact CG2-CG2 3.64Å
82T90.5Very high89.4Confident27 Ų2758.4 Ų58.417%0.16634%0.344CS..EExtended strand (participates in β ladder)trans-89122.3169.2-60.10000109.4Y58 F59 S60 V84 S89 H90Y58-T82 HydrophobicContact CD1-CG2 4.1Å; Y58-T82 HydrophobicContact CE1-CG2 4.13Å; F59-T82 WeakPolarHBondContact CA-O 3.38Å; S60-T82 PolarHBondContact N-O 2.83Å; S60-T82 PolarHBondContact OG-N 3.27Å; T82-V84 HydrophobicContact CG2-CG2 4.36Å; T82-S89 VanDerWaalsContact CG2-OG 3.32Å; T82-S89 WeakPolarHBondContact CG2-OG 3.35Å; T82-H90 WeakPolarHBondContact CA-O 3.35Å
83L92.8Very high89.5Confident1 Ų156 Ų561%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-115.4144.9166.465.886.8000109.8L39 L56 Y58 F59 I85 S89 H90 L92 M108L39-L83 HydrophobicContact CD1-CD1 4.27Å; L39-L83 HydrophobicContact CD2-CD2 4.17Å; L56-L83 HydrophobicContact CD1-CB 4.31Å; L56-L83 HydrophobicContact CD2-CB 4.46Å; Y58-L83 CarbonylContact O-C 3.48Å; Y58-L83 WeakPolarHBondContact O-CA 3.2Å; F59-L83 HydrophobicContact CD2-CB 4.06Å; L83-I85 HydrophobicContact CD1-CD1 3.64Å; L83-I85 HydrophobicContact CD1-CG1 3.71Å; L83-S89 CarbonylContact O-C 3.48Å; L83-S89 WeakPolarHBondContact O-CA 3.21Å; L83-H90 HydrophobicContact CD1-CB 3.66Å; L83-H90 HydrophobicContact CG-CB 3.89Å; L83-H90 PolarHBondContact N-O 3.12Å; L83-H90 PolarHBondContact O-N 3.29Å; L83-L92 HydrophobicContact CD2-CD1 3.36Å; L83-L92 HydrophobicContact CD2-CG 4.14Å; L83-L92 HydrophobicContact CG-CD1 4.33Å; L83-M108 HydrophobicContact CD2-SD 4.42Å
84V92.6Very high89.8Confident0 Ų052.7 Ų52.70%029%0.288CS..EExtended strand (participates in β ladder)trans-122.5123.6176.7-174.30000109.3L56 S57 Y58 T82 R88 W335L56-V84 WeakPolarHBondContact CA-O 3.37Å; S57-V84 PolarHBondContact N-O 2.7Å; S57-V84 WeakPolarHBondContact OG-CB 3.21Å; S57-V84 WeakPolarHBondContact OG-CG1 3.38Å; S57-V84 PolarHBondContact OG-O 2.82Å; Y58-V84 HydrophobicContact CD1-CG2 4.08Å; Y58-V84 HydrophobicContact CG-CG2 4.42Å; Y58-V84 PolarHBondContact O-N 2.76Å; T82-V84 HydrophobicContact CG2-CG2 4.36Å; V84-R88 VanDerWaalsContact CA-O 3.31Å; V84-R88 WeakPolarHBondContact CA-O 3.36Å; V84-W335 HydrophobicContact CG1-CD2 4.39Å; V84-W335 HydrophobicContact CG1-CH2 4.14Å; V84-W335 HydrophobicContact CG1-CZ2 3.69Å; V84-W335 HydrophobicContact CG2-CB 4.49Å; V84-W335 HydrophobicContact CG2-CD2 3.63Å; V84-W335 HydrophobicContact CG2-CE3 3.87Å; V84-W335 HydrophobicContact CG2-CG 3.92Å; V84-W335 HydrophobicContact CG2-CZ2 4.4Å; V84-W335 HydrophobicContact CG2-CZ3 4.35Å
85I90.9Very high90.2Very high11 Ų1148.7 Ų48.76%0.05627%0.273CS..EExtended strand (participates in β ladder)trans-135.4130.9-179.3-55.6-177.8000107.9L40 L56 L83 G87 R88L40-I85 HydrophobicContact CB-CD1 4.5Å; L40-I85 HydrophobicContact CD2-CD1 3.46Å; L40-I85 VanDerWaalsContact CD2-CD1 3.46Å; L40-I85 HydrophobicContact CG-CD1 4.49Å; L56-I85 HydrophobicContact CD2-CD1 3.29Å; L56-I85 HydrophobicContact CD2-CG1 3.32Å; L83-I85 HydrophobicContact CD1-CD1 3.64Å; L83-I85 HydrophobicContact CD1-CG1 3.71Å; I85-G87 PolarHBondContact O-N 2.76Å; I85-G87 VanDerWaalsContact O-N 3.12Å; I85-R88 PolarHBondContact N-O 2.74Å; I85-R88 PolarHBondContact O-N 2.86Å
86D87.3Confident90.5Very high126 Ų12646.3 Ų46.367%0.67425%0.248SC*.THydrogen-bonded Turntrans49.838.2-177.6-62.1-24.1000112.9R88D86-R88 PolarHBondContact O-N 2.91Å
87G84.1Confident90.5Very high50 Ų5050.8 Ų50.852%0.51527%0.269SS..THydrogen-bonded Turntrans72.49.7-178.800000115.1I85I85-G87 PolarHBondContact O-N 2.76Å; I85-G87 VanDerWaalsContact O-N 3.12Å
88R85.3Confident90.7Very high187 Ų18750.7 Ų50.771%0.70626%0.261SS*.EExtended strand (participates in β ladder)trans-108.7126.9177.3-64.9-177.2178.9177.61.2110.9V84 I85 D86V84-R88 VanDerWaalsContact CA-O 3.31Å; V84-R88 WeakPolarHBondContact CA-O 3.36Å; I85-R88 PolarHBondContact N-O 2.74Å; I85-R88 PolarHBondContact O-N 2.86Å; D86-R88 PolarHBondContact O-N 2.91Å
89S88.4Confident90.8Very high36 Ų3651.5 Ų51.525%0.25226%0.264SS..EExtended strand (participates in β ladder)trans-81.6136.8173.8179.30000111.3T82 L83T82-S89 VanDerWaalsContact CG2-OG 3.32Å; T82-S89 WeakPolarHBondContact CG2-OG 3.35Å; L83-S89 CarbonylContact O-C 3.48Å; L83-S89 WeakPolarHBondContact O-CA 3.21Å
90H88.9Confident90.8Very high67 Ų6754 Ų5431%0.3128%0.284SS..EExtended strand (participates in β ladder)trans-127.9130.5171-61.8-93000109.1L39 T82 L83 L92L39-H90 HydrophobicContact CD1-CB 4.35Å; T82-H90 WeakPolarHBondContact CA-O 3.35Å; L83-H90 HydrophobicContact CD1-CB 3.66Å; L83-H90 HydrophobicContact CG-CB 3.89Å; L83-H90 PolarHBondContact N-O 3.12Å; L83-H90 PolarHBondContact O-N 3.29Å; H90-L92 HydrophobicContact CB-CD2 4.37Å; H90-L92 HydrophobicContact CB-CG 4.45Å
91I87.8Confident90.8Very high77 Ų7754.7 Ų54.740%0.39529%0.291SS..EExtended strand (participates in β ladder)trans-105.2116.8176-49.2176.2000108.7E80 V81 M111E80-I91 HydrophobicContact CG-CG2 3.85Å; V81-I91 WeakPolarHBondContact O-CA 3.48Å; I91-M111 HydrophobicContact CB-SD 4.25Å; I91-M111 HydrophobicContact CG2-CG 4.16Å; I91-M111 HydrophobicContact CG2-SD 3.37Å; I91-M111 WeakPolarHBondContact CG2-SD 3.45Å; I91-M111 PolarHBondContact O-N 3.48Å
92L91.3Very high90.8Very high7 Ų756.1 Ų56.14%0.03731%0.306CS..EExtended strand (participates in β ladder)trans-127.7155.1-173.1-50.7-175.8000110.8L39 V81 L83 H90 V94 M108 A109 P110L39-L92 HydrophobicContact CD1-CD1 4.34Å; L39-L92 HydrophobicContact CD2-CD1 3.58Å; V81-L92 PolarHBondContact N-O 3.44Å; V81-L92 PolarHBondContact O-N 2.93Å; L83-L92 HydrophobicContact CD2-CD1 3.36Å; L83-L92 HydrophobicContact CD2-CG 4.14Å; L83-L92 HydrophobicContact CG-CD1 4.33Å; H90-L92 HydrophobicContact CB-CD2 4.37Å; H90-L92 HydrophobicContact CB-CG 4.45Å; L92-V94 HydrophobicContact CB-CG2 4.48Å; L92-M108 HydrophobicContact CD1-CB 3.72Å; L92-M108 HydrophobicContact CD1-SD 4.41Å; L92-A109 CarbonylContact C-O 3.59Å; L92-A109 VanDerWaalsContact CA-O 3.31Å; L92-A109 WeakPolarHBondContact CA-O 3.22Å; L92-A109 WeakPolarHBondContact CB-O 3.35Å; L92-P110 HydrophobicContact CD2-CB 4.23Å; L92-P110 HydrophobicContact CD2-CG 4.3Å
93S92.2Very high91Very high20 Ų2056.9 Ų56.914%0.1431%0.308CS..EExtended strand (participates in β ladder)trans-86133.3156.4-179.50000108.7D78 M108 A109D78-S93 CarbonylContact O-C 3.53Å; D78-S93 VanDerWaalsContact O-CA 3.27Å; D78-S93 WeakPolarHBondContact O-CA 3.27Å; D78-S93 PolarHBondContact O-OG 2.8Å; D78-S93 VanDerWaalsContact O-OG 3.09Å; S93-M108 CarbonylContact O-C 3.56Å; S93-M108 WeakPolarHBondContact O-CA 3.46Å; S93-A109 PolarHBondContact N-O 2.92Å; S93-A109 PolarHBondContact O-N 3.44Å
94V94.3Very high91.2Very high0 Ų056.9 Ų56.90%031%0.308CS..EExtended strand (participates in β ladder)trans-119.2119179.5-179.20000109L61 T77 D78 V81 L92 L106 E107 M108L61-V94 HydrophobicContact CD2-CG1 4.24Å; T77-V94 WeakPolarHBondContact CA-O 3.36Å; D78-V94 PolarHBondContact N-O 2.78Å; D78-V94 PolarHBondContact O-N 2.87Å; V81-V94 HydrophobicContact CB-CB 4.48Å; V81-V94 HydrophobicContact CB-CG2 3.68Å; V81-V94 HydrophobicContact CG1-CG2 4.03Å; V81-V94 HydrophobicContact CG2-CB 3.88Å; V81-V94 HydrophobicContact CG2-CG2 3.64Å; L92-V94 HydrophobicContact CB-CG2 4.48Å; V94-L106 HydrophobicContact CG1-CD1 3.55Å; V94-L106 HydrophobicContact CG1-CD2 4.05Å; V94-L106 HydrophobicContact CG1-CG 3.76Å; V94-E107 CarbonylContact C-O 3.54Å; V94-E107 WeakPolarHBondContact CA-O 3.41Å; V94-M108 HydrophobicContact CG1-CG 4.4Å; V94-M108 HydrophobicContact CG2-CB 4.38Å; V94-M108 HydrophobicContact CG2-CG 4.07Å
95T95.5Very high91.4Very high46 Ų4659.6 Ų59.628%0.28232%0.322SS..EExtended strand (participates in β ladder)trans-111.8133.5174.3-65.70000109F76 T77 L106 E107F76-T95 CarbonylContact O-C 3.59Å; F76-T95 VanDerWaalsContact O-CA 3.32Å; F76-T95 WeakPolarHBondContact O-CA 3.32Å; T77-T95 WeakPolarHBondContact CG2-OG1 3.47Å; T77-T95 WeakPolarHBondContact OG1-CG2 3.19Å; T77-T95 PolarHBondContact OG1-OG1 2.84Å; T95-L106 CarbonylContact O-C 3.56Å; T95-L106 WeakPolarHBondContact O-CA 3.43Å; T95-E107 PolarHBondContact N-O 3.1Å; T95-E107 PolarHBondContact O-N 2.92Å
96A96.5Very high91.6Very high0 Ų059.1 Ų59.10%032%0.32CS..EExtended strand (participates in β ladder)trans-121.6137.4177.500000110.5M66 L70 G75 F76 I104 L105 L106M66-A96 HydrophobicContact CG-CB 3.84Å; M66-A96 HydrophobicContact SD-CB 3.63Å; L70-A96 HydrophobicContact CD1-CB 4.11Å; L70-A96 HydrophobicContact CD2-CB 4.26Å; G75-A96 WeakPolarHBondContact CA-O 3.43Å; F76-A96 HydrophobicContact CB-CB 4.26Å; F76-A96 HydrophobicContact CD1-CB 4.44Å; F76-A96 PolarHBondContact N-O 3.43Å; F76-A96 PolarHBondContact O-N 2.98Å; A96-I104 HydrophobicContact CB-CG2 4.04Å; A96-L105 CarbonylContact C-O 3.59Å; A96-L105 WeakPolarHBondContact CA-O 3.48Å; A96-L106 HydrophobicContact CB-CD1 3.84Å
97Q95.6Very high92.1Very high111 Ų11156.6 Ų56.652%0.51930%0.304SS..EExtended strand (participates in β ladder)trans-138134.2174.5-174.1176.99.800110.6L105Q97-L105 PolarHBondContact N-O 2.97Å; Q97-L105 PolarHBondContact O-N 2.71Å
98R95.5Very high92.6Very high70 Ų7054.3 Ų54.326%0.26428%0.28SS..EExtended strand (participates in β ladder)trans-76.9133.4174.5-171.3162.6-69.4-90.16.5110.7D25 L70 G102D25-R98 IonicContact OD1-CZ 3.66Å; D25-R98 VanDerWaalsContact OD1-CZ 3.24Å; D25-R98 IonicContact OD1-NH1 2.74Å; D25-R98 PolarHBondContact OD1-NH1 2.99Å; D25-R98 IonicContact OD1-NH2 3.18Å; D25-R98 PolarHBondContact OD1-NH2 2.98Å; D25-R98 IonicContact OD2-NH1 3.19Å; L70-R98 HydrophobicContact CD2-CB 4.26Å; R98-G102 PolarHBondContact NH1-O 3.38Å
99M93.1Very high92.9Very high63 Ų6346.4 Ų46.431%0.3126%0.255SS..  trans-93.8155.6176.1-65.7-86.164.700111.1L22 D101 G102 M103 L105L22-M99 HydrophobicContact CD1-CG 4.36Å; M99-D101 WeakPolarHBondContact CB-OD1 3.27Å; M99-D101 PolarHBondContact O-N 3.1Å; M99-D101 VanDerWaalsContact O-N 3.11Å; M99-G102 PolarHBondContact O-N 2.93Å; M99-M103 PolarHBondContact N-O 3.29Å; M99-L105 HydrophobicContact CG-CB 4.15Å; M99-L105 HydrophobicContact SD-CB 4.46Å
100P87.3Confident92.8Very high133 Ų13348.3 Ų48.386%0.86427%0.266SS*.THydrogen-bonded Turntrans-57.3-23.9-179.1-28.134.3000115.6G102P100-G102 VanDerWaalsContact C-N 3.27Å
101D86.5Confident92.2Very high116 Ų11646.2 Ų46.262%0.6226%0.257SS*.THydrogen-bonded Turntrans-84.21.6178.361.8-3.6000113.5M99 M103M99-D101 WeakPolarHBondContact CB-OD1 3.27Å; M99-D101 PolarHBondContact O-N 3.1Å; M99-D101 VanDerWaalsContact O-N 3.11Å; D101-M103 VanDerWaalsContact C-N 3.35Å; D101-M103 WeakPolarHBondContact OD1-CB 3.38Å; D101-M103 PolarHBondContact OD1-N 3.47Å
102G89.7Confident91.2Very high30 Ų3046.9 Ų46.931%0.30926%0.261SS..SBendtrans89.8-6.5-177.700000113.9R98 M99 P100R98-G102 PolarHBondContact NH1-O 3.38Å; M99-G102 PolarHBondContact O-N 2.93Å; P100-G102 VanDerWaalsContact C-N 3.27Å
103M95.1Very high90Very high44 Ų4451 Ų5122%0.21728%0.283CS..  trans-74161.8175.6-63.5-68.4-177.200111.6L22 D24 M99 D101L22-M103 HydrophobicContact CD1-CB 3.65Å; L22-M103 HydrophobicContact CD1-CG 4.48Å; L22-M103 HydrophobicContact CD2-CB 4.21Å; L22-M103 HydrophobicContact CD2-CG 4.16Å; L22-M103 HydrophobicContact CG-CB 3.84Å; L22-M103 HydrophobicContact CG-CG 4.22Å; D24-M103 HydrophobicContact CB-SD 3.96Å; M99-M103 PolarHBondContact N-O 3.29Å; D101-M103 VanDerWaalsContact C-N 3.35Å; D101-M103 WeakPolarHBondContact OD1-CB 3.38Å; D101-M103 PolarHBondContact OD1-N 3.47Å
104I96.7Very high88.7Confident0 Ų057.1 Ų57.10%031%0.31CS..EExtended strand (participates in β ladder)trans-112.1119.3175.5-55.6168.3000107.7L22 I23 L70 A96L22-I104 WeakPolarHBondContact CA-O 3.5Å; I23-I104 HydrophobicContact CD1-CB 4.42Å; I23-I104 HydrophobicContact CD1-CG2 4.42Å; I23-I104 HydrophobicContact CG1-CB 3.74Å; I23-I104 HydrophobicContact CG1-CG2 4.21Å; I23-I104 PolarHBondContact N-O 2.9Å; I23-I104 PolarHBondContact O-N 2.91Å; L70-I104 HydrophobicContact CD1-CD1 3.81Å; L70-I104 HydrophobicContact CD1-CG1 4.02Å; L70-I104 HydrophobicContact CD1-CG2 3.7Å; A96-I104 HydrophobicContact CB-CG2 4.04Å
105L96.6Very high87.6Confident57 Ų5763.5 Ų63.530%0.29833%0.334SS..EExtended strand (participates in β ladder)trans-83.1116.2169.7-176.668.4000108.3I20 L22 A96 Q97 M99I20-L105 HydrophobicContact CG2-CD1 3.59Å; L22-L105 HydrophobicContact CD1-CB 4.47Å; L22-L105 HydrophobicContact CD1-CD1 4.44Å; A96-L105 CarbonylContact C-O 3.59Å; A96-L105 WeakPolarHBondContact CA-O 3.48Å; Q97-L105 PolarHBondContact N-O 2.97Å; Q97-L105 PolarHBondContact O-N 2.71Å; M99-L105 HydrophobicContact CG-CB 4.15Å; M99-L105 HydrophobicContact SD-CB 4.46Å
106L96.8Very high86.3Confident1 Ų166.9 Ų66.91%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-106.1120.9175.8-15985000109.2I20 L21 L52 M66 V94 T95 A96 M108I20-L106 WeakPolarHBondContact CA-O 3.29Å; L21-L106 HydrophobicContact CB-CB 4.19Å; L21-L106 HydrophobicContact CD1-CD2 4.2Å; L21-L106 PolarHBondContact N-O 3.09Å; L21-L106 PolarHBondContact O-N 3.27Å; L52-L106 HydrophobicContact CD2-CD2 3.88Å; M66-L106 HydrophobicContact SD-CD1 4.05Å; V94-L106 HydrophobicContact CG1-CD1 3.55Å; V94-L106 HydrophobicContact CG1-CD2 4.05Å; V94-L106 HydrophobicContact CG1-CG 3.76Å; T95-L106 CarbonylContact O-C 3.56Å; T95-L106 WeakPolarHBondContact O-CA 3.43Å; A96-L106 HydrophobicContact CB-CD1 3.84Å; L106-M108 HydrophobicContact CD2-CG 3.86Å; L106-M108 HydrophobicContact CD2-SD 3.95Å; L106-M108 HydrophobicContact CG-CG 4.32Å
107E96.4Very high85.2Confident74 Ų7471.2 Ų71.235%0.34636%0.364SS..EExtended strand (participates in β ladder)trans-105.2125.1169.2175.1172.6-155.400108.9N18 I20 V94 T95N18-E107 HydrophobicContact CB-CG 4.21Å; N18-E107 PolarHBondContact ND2-OE1 3.46Å; I20-E107 HydrophobicContact CD1-CB 3.77Å; I20-E107 HydrophobicContact CD1-CG 3.66Å; V94-E107 CarbonylContact C-O 3.54Å; V94-E107 WeakPolarHBondContact CA-O 3.41Å; T95-E107 PolarHBondContact N-O 3.1Å; T95-E107 PolarHBondContact O-N 2.92Å
108M95.1Very high84.3Confident1 Ų168.9 Ų68.91%0.00536%0.36CS..EExtended strand (participates in β ladder)trans-116.9113.3173.6-43.9178.3-77.500109.2S19 L21 L39 L83 L92 S93 V94 L106S19-M108 PolarHBondContact N-O 3.17Å; S19-M108 PolarHBondContact O-N 3.28Å; L21-M108 HydrophobicContact CD1-CE 3.59Å; L21-M108 HydrophobicContact CD1-SD 4.43Å; L21-M108 HydrophobicContact CG-CE 3.98Å; L39-M108 HydrophobicContact CD2-CE 3.66Å; L39-M108 HydrophobicContact CD2-SD 4.3Å; L83-M108 HydrophobicContact CD2-SD 4.42Å; L92-M108 HydrophobicContact CD1-CB 3.72Å; L92-M108 HydrophobicContact CD1-SD 4.41Å; S93-M108 CarbonylContact O-C 3.56Å; S93-M108 WeakPolarHBondContact O-CA 3.46Å; V94-M108 HydrophobicContact CG1-CG 4.4Å; V94-M108 HydrophobicContact CG2-CB 4.38Å; V94-M108 HydrophobicContact CG2-CG 4.07Å; L106-M108 HydrophobicContact CD2-CG 3.86Å; L106-M108 HydrophobicContact CD2-SD 3.95Å; L106-M108 HydrophobicContact CG-CG 4.32Å
109A92.2Very high83.4Confident21 Ų2169.7 Ų69.717%0.17437%0.367CS..EExtended strand (participates in β ladder)trans-109.1128.6-179.900000109.5L92 S93 M111L92-A109 CarbonylContact C-O 3.59Å; L92-A109 VanDerWaalsContact CA-O 3.31Å; L92-A109 WeakPolarHBondContact CA-O 3.22Å; L92-A109 WeakPolarHBondContact CB-O 3.35Å; S93-A109 PolarHBondContact N-O 2.92Å; S93-A109 PolarHBondContact O-N 3.44Å; A109-M111 PolarHBondContact O-N 3.15Å
110P85.3Confident82.6Confident76 Ų7670.2 Ų70.249%0.49437%0.368SS..EExtended strand (participates in β ladder)trans-51.1134.7167.9-22.932.8000109.8L92 D112L92-P110 HydrophobicContact CD2-CB 4.23Å; L92-P110 HydrophobicContact CD2-CG 4.3Å; P110-D112 PolarHBondContact O-N 3.27Å; P110-D112 VanDerWaalsContact O-N 3.11Å
111M77.5Confident82.2Confident24 Ų2470.5 Ų70.512%0.11836%0.358CS..PPolyproline II helixtrans-53.3126.3174.4-75.1-171.879.200109.2E80 I91 A109 N113E80-M111 HydrophobicContact CG-SD 4.41Å; I91-M111 HydrophobicContact CB-SD 4.25Å; I91-M111 HydrophobicContact CG2-CG 4.16Å; I91-M111 HydrophobicContact CG2-SD 3.37Å; I91-M111 WeakPolarHBondContact CG2-SD 3.45Å; I91-M111 PolarHBondContact O-N 3.48Å; A109-M111 PolarHBondContact O-N 3.15Å; M111-N113 PolarHBondContact O-N 3.42Å
112D65.1Low82.1Confident90 Ų9069.9 Ų69.948%0.48136%0.355SS..PPolyproline II helixtrans-51.4125.5-178.5-169.2-13.8000109.2P110 Q114 R115 R116P110-D112 PolarHBondContact O-N 3.27Å; P110-D112 VanDerWaalsContact O-N 3.11Å; D112-Q114 PolarHBondContact O-N 3.27Å; D112-Q114 PolarHBondContact OD1-N 2.85Å; D112-R115 HydrophobicContact CB-CG 4.25Å; D112-R115 WeakPolarHBondContact O-CA 3.15Å; D112-R115 WeakPolarHBondContact O-CB 3.48Å; D112-R115 PolarHBondContact O-N 3.1Å; D112-R116 PolarHBondContact O-N 3.15Å; D112-R116 VanDerWaalsContact O-N 3.15Å
113N66.6Low81.6Confident94 Ų9470.6 Ų70.650%0.50335%0.35SS..Hα-helixtrans-52.2-31.2-178-77.3-35.6000111.2M111 R116 L117M111-N113 PolarHBondContact O-N 3.42Å; N113-R116 PolarHBondContact OD1-NH1 3.03Å; N113-R116 PolarHBondContact OD1-NH2 2.75Å; N113-L117 WeakPolarHBondContact O-CB 3.12Å; N113-L117 WeakPolarHBondContact O-CG 3.46Å; N113-L117 PolarHBondContact O-N 3.23Å
114Q65.8Low81Confident148 Ų14872.7 Ų72.769%0.69236%0.359SS*.Hα-helixtrans-65.2-41.5174.9-68.5-162.7-40.900113.1D112 L117 S118D112-Q114 PolarHBondContact O-N 3.27Å; D112-Q114 PolarHBondContact OD1-N 2.85Å; Q114-L117 PolarHBondContact O-N 3.01Å; Q114-S118 WeakPolarHBondContact O-CB 3.47Å; Q114-S118 PolarHBondContact O-N 3.37Å
115R70.5Confident80.4Confident134 Ų13475.3 Ų75.351%0.50638%0.381SS..Hα-helixtrans-63.6-49.1176.2-71.9-175.4179.8-173.11.3110.1D112 L117 S118 Q119D112-R115 HydrophobicContact CB-CG 4.25Å; D112-R115 WeakPolarHBondContact O-CA 3.15Å; D112-R115 WeakPolarHBondContact O-CB 3.48Å; D112-R115 PolarHBondContact O-N 3.1Å; R115-L117 VanDerWaalsContact C-N 3.34Å; R115-L117 PolarHBondContact O-N 3.17Å; R115-S118 PolarHBondContact O-N 3.42Å; R115-S118 VanDerWaalsContact O-N 3.1Å; R115-S118 PolarHBondContact O-OG 2.87Å; R115-Q119 WeakPolarHBondContact O-CG 3.43Å; R115-Q119 PolarHBondContact O-N 3.33Å
116R69.4Low79.9Confident117 Ų11776.9 Ų76.944%0.44239%0.386SS..Hα-helixtrans-56.1-47.5177-171.9174.468.6-128.5-7.1111.7D112 N113 S118 Q119 E120D112-R116 PolarHBondContact O-N 3.15Å; D112-R116 VanDerWaalsContact O-N 3.15Å; N113-R116 PolarHBondContact OD1-NH1 3.03Å; N113-R116 PolarHBondContact OD1-NH2 2.75Å; R116-S118 PolarHBondContact O-N 3.12Å; R116-Q119 PolarHBondContact O-N 2.88Å; R116-E120 IonicContact NE-OE1 2.82Å; R116-E120 WeakPolarHBondContact O-CB 3.25Å; R116-E120 WeakPolarHBondContact O-CG 3.24Å; R116-E120 PolarHBondContact O-N 3.12Å
117L72.7Confident79.1Confident91 Ų9177.2 Ų77.248%0.47639%0.388SS..Hα-helixtrans-61.5-40.9176.7-73.8170.2000112.6N113 Q114 R115 Q121N113-L117 WeakPolarHBondContact O-CB 3.12Å; N113-L117 WeakPolarHBondContact O-CG 3.46Å; N113-L117 PolarHBondContact O-N 3.23Å; Q114-L117 PolarHBondContact O-N 3.01Å; R115-L117 VanDerWaalsContact C-N 3.34Å; R115-L117 PolarHBondContact O-N 3.17Å; L117-Q121 WeakPolarHBondContact O-CB 3.38Å; L117-Q121 VanDerWaalsContact O-CG 3.27Å; L117-Q121 WeakPolarHBondContact O-CG 3.41Å; L117-Q121 PolarHBondContact O-N 2.89Å
118S77.5Confident78.5Confident63 Ų6376.3 Ų76.344%0.44139%0.387SS..Hα-helixtrans-65.2-40.217776.30000112.5Q114 R115 R116 Q121 L122Q114-S118 WeakPolarHBondContact O-CB 3.47Å; Q114-S118 PolarHBondContact O-N 3.37Å; R115-S118 PolarHBondContact O-N 3.42Å; R115-S118 VanDerWaalsContact O-N 3.1Å; R115-S118 PolarHBondContact O-OG 2.87Å; R116-S118 PolarHBondContact O-N 3.12Å; S118-Q121 PolarHBondContact O-N 2.9Å; S118-L122 WeakPolarHBondContact O-CB 3.41Å; S118-L122 PolarHBondContact O-N 3.2Å
119Q75.2Confident78.1Confident86 Ų8678.7 Ų78.740%0.40241%0.407SS..Hα-helixtrans-65.9-46.5176.4-75.2171.3-41.500110.8R115 R116 Q121 L122 Q123R115-Q119 WeakPolarHBondContact O-CG 3.43Å; R115-Q119 PolarHBondContact O-N 3.33Å; R116-Q119 PolarHBondContact O-N 2.88Å; Q119-Q121 VanDerWaalsContact C-N 3.32Å; Q119-Q121 PolarHBondContact O-N 3.26Å; Q119-L122 PolarHBondContact O-N 3.05Å; Q119-Q123 WeakPolarHBondContact O-CB 3.31Å; Q119-Q123 PolarHBondContact O-N 3.21Å
120E76.2Confident77.7Confident74 Ų7478.7 Ų78.735%0.34641%0.407SS..Hα-helixtrans-58.2-42.9174.9-75.1179.7-158.200111.8R116 H124 K329R116-E120 IonicContact NE-OE1 2.82Å; R116-E120 WeakPolarHBondContact O-CB 3.25Å; R116-E120 WeakPolarHBondContact O-CG 3.24Å; R116-E120 PolarHBondContact O-N 3.12Å; E120-H124 VanDerWaalsContact O-CB 3.32Å; E120-H124 WeakPolarHBondContact O-CB 3.38Å; E120-H124 PolarHBondContact O-N 2.81Å; E120-K329 IonicContact OE2-NZ 3.2Å
121Q79.8Confident77.5Confident140 Ų14077.5 Ų77.565%0.65439%0.393SS*.Hα-helixtrans-65.7-43.4177-75.9177.7-2.100112.3L117 S118 Q119 H124 A125L117-Q121 WeakPolarHBondContact O-CB 3.38Å; L117-Q121 VanDerWaalsContact O-CG 3.27Å; L117-Q121 WeakPolarHBondContact O-CG 3.41Å; L117-Q121 PolarHBondContact O-N 2.89Å; S118-Q121 PolarHBondContact O-N 2.9Å; Q119-Q121 VanDerWaalsContact C-N 3.32Å; Q119-Q121 PolarHBondContact O-N 3.26Å; Q121-H124 PolarHBondContact O-N 2.81Å; Q121-A125 WeakPolarHBondContact O-CB 3.45Å; Q121-A125 PolarHBondContact O-N 2.96Å
122L83.7Confident77.8Confident103 Ų10380.3 Ų80.354%0.53941%0.408SS..Hα-helixtrans-62.8-46.2176.8179.961.6000111S118 Q119 H124 A125 Q126S118-L122 WeakPolarHBondContact O-CB 3.41Å; S118-L122 PolarHBondContact O-N 3.2Å; Q119-L122 PolarHBondContact O-N 3.05Å; L122-H124 PolarHBondContact O-N 2.89Å; L122-A125 PolarHBondContact O-N 2.91Å; L122-Q126 HydrophobicContact CD1-CG 4.41Å; L122-Q126 WeakPolarHBondContact O-CG 3.39Å; L122-Q126 PolarHBondContact O-N 3Å
123Q80Confident78.8Confident45 Ų4581.6 Ų81.621%0.2141%0.414CS..Hα-helixtrans-62.1-43.5178-166-177.533.500111.1Q119 A125 Q126 Q127 D298Q119-Q123 WeakPolarHBondContact O-CB 3.31Å; Q119-Q123 PolarHBondContact O-N 3.21Å; Q123-A125 PolarHBondContact O-N 2.89Å; Q123-Q126 PolarHBondContact O-N 3.18Å; Q123-Q127 VanDerWaalsContact O-CG 3.27Å; Q123-Q127 WeakPolarHBondContact O-CG 3.39Å; Q123-Q127 PolarHBondContact O-N 2.74Å; Q123-D298 PolarHBondContact NE2-O 2.71Å
124H81.2Confident79.7Confident87 Ų8778.3 Ų78.340%0.40340%0.398SS..Hα-helixtrans-60.4-45.5174.4-179.8-84.3000111.8E120 Q121 L122 Q126 Q127 V128E120-H124 VanDerWaalsContact O-CB 3.32Å; E120-H124 WeakPolarHBondContact O-CB 3.38Å; E120-H124 PolarHBondContact O-N 2.81Å; Q121-H124 PolarHBondContact O-N 2.81Å; L122-H124 PolarHBondContact O-N 2.89Å; H124-Q126 PolarHBondContact O-N 2.88Å; H124-Q127 PolarHBondContact O-N 3.23Å; H124-V128 WeakPolarHBondContact O-CG2 3.32Å; H124-V128 PolarHBondContact O-N 2.62Å
125A85.3Confident80.6Confident56 Ų5675.7 Ų75.746%0.46338%0.381SS..Hα-helixtrans-61.9-43.217800000112.2Q121 L122 Q123 Q127 V128 A129Q121-A125 WeakPolarHBondContact O-CB 3.45Å; Q121-A125 PolarHBondContact O-N 2.96Å; L122-A125 PolarHBondContact O-N 2.91Å; Q123-A125 PolarHBondContact O-N 2.89Å; A125-Q127 VanDerWaalsContact C-N 3.33Å; A125-Q127 PolarHBondContact O-N 2.82Å; A125-V128 PolarHBondContact O-N 2.87Å; A125-A129 WeakPolarHBondContact O-CB 3.41Å; A125-A129 PolarHBondContact O-N 3.29Å
126Q85.8Confident81.3Confident89 Ų8971 Ų7142%0.41638%0.375SS..Hα-helixtrans-63.8-37.3176.5-71.4179.85.800112.2L122 Q123 H124 A129 A130 Y302L122-Q126 HydrophobicContact CD1-CG 4.41Å; L122-Q126 WeakPolarHBondContact O-CG 3.39Å; L122-Q126 PolarHBondContact O-N 3Å; Q123-Q126 PolarHBondContact O-N 3.18Å; H124-Q126 PolarHBondContact O-N 2.88Å; Q126-A129 PolarHBondContact O-N 2.89Å; Q126-A130 WeakPolarHBondContact O-CB 3.04Å; Q126-A130 PolarHBondContact O-N 3.36Å; Q126-Y302 WeakPolarHBondContact CB-OH 3.21Å; Q126-Y302 PolarHBondContact OE1-OH 2.92Å
127Q80.7Confident82.2Confident9 Ų970 Ų704%0.04238%0.378CS..Hα-helixtrans-68.2-41.7176-74.2174.7-0.700113.5Q123 H124 A125 A129 A130 R131 Y302 R320Q123-Q127 VanDerWaalsContact O-CG 3.27Å; Q123-Q127 WeakPolarHBondContact O-CG 3.39Å; Q123-Q127 PolarHBondContact O-N 2.74Å; H124-Q127 PolarHBondContact O-N 3.23Å; A125-Q127 VanDerWaalsContact C-N 3.33Å; A125-Q127 PolarHBondContact O-N 2.82Å; Q127-A129 VanDerWaalsContact C-N 3.3Å; Q127-A130 PolarHBondContact O-N 2.88Å; Q127-R131 WeakPolarHBondContact O-CG 3.49Å; Q127-R131 PolarHBondContact O-N 3.38Å; Q127-Y302 HydrophobicContact CB-CE1 4.35Å; Q127-Y302 HydrophobicContact CG-CD1 3.66Å; Q127-Y302 HydrophobicContact CG-CE1 3.21Å; Q127-R320 VanDerWaalsContact NE2-CZ 3.29Å
128V82.4Confident82.9Confident54 Ų5465.7 Ų65.733%0.32736%0.355SS..Hα-helixtrans-60-46174.1173.10000109.4H124 A125 A130 R131 D132H124-V128 WeakPolarHBondContact O-CG2 3.32Å; H124-V128 PolarHBondContact O-N 2.62Å; A125-V128 PolarHBondContact O-N 2.87Å; V128-A130 PolarHBondContact O-N 3.21Å; V128-R131 PolarHBondContact O-N 3.41Å; V128-D132 PolarHBondContact O-N 2.85Å
129A86.8Confident83.3Confident51 Ų5168.1 Ų68.142%0.42136%0.36SS..Hα-helixtrans-59.5-44.3175.200000112.5A125 Q126 Q127 R131 D132 L133A125-A129 WeakPolarHBondContact O-CB 3.41Å; A125-A129 PolarHBondContact O-N 3.29Å; Q126-A129 PolarHBondContact O-N 2.89Å; Q127-A129 VanDerWaalsContact C-N 3.3Å; A129-R131 VanDerWaalsContact C-N 3.35Å; A129-R131 PolarHBondContact O-N 3.39Å; A129-D132 PolarHBondContact O-N 3.25Å; A129-L133 WeakPolarHBondContact O-CB 3.39Å; A129-L133 VanDerWaalsContact O-CG 3.3Å; A129-L133 WeakPolarHBondContact O-CG 3.37Å; A129-L133 PolarHBondContact O-N 3.01Å
130A84Confident84Confident21 Ų2170.6 Ų70.617%0.17437%0.371CS..Hα-helixtrans-61.8-40.9176.700000112.1Q126 Q127 V128 V134Q126-A130 WeakPolarHBondContact O-CB 3.04Å; Q126-A130 PolarHBondContact O-N 3.36Å; Q127-A130 PolarHBondContact O-N 2.88Å; V128-A130 PolarHBondContact O-N 3.21Å; A130-V134 WeakPolarHBondContact O-CB 3.36Å; A130-V134 VanDerWaalsContact O-CG2 3.29Å; A130-V134 WeakPolarHBondContact O-CG2 3.38Å; A130-V134 PolarHBondContact O-N 3.07Å
131R80.6Confident84.7Confident52 Ų5270.6 Ų70.620%0.19637%0.373CS..Hα-helixtrans-64.2-43.8175.3-76.5178.4175.4169.12.3112.3Q127 V128 A129 V134 R135 N321 D324Q127-R131 WeakPolarHBondContact O-CG 3.49Å; Q127-R131 PolarHBondContact O-N 3.38Å; V128-R131 PolarHBondContact O-N 3.41Å; A129-R131 VanDerWaalsContact C-N 3.35Å; A129-R131 PolarHBondContact O-N 3.39Å; R131-V134 PolarHBondContact O-N 2.92Å; R131-R135 WeakPolarHBondContact O-CB 3.34Å; R131-R135 PolarHBondContact O-N 3.07Å; R131-N321 VanDerWaalsContact NH2-CA 3.27Å; R131-N321 VanDerWaalsContact NH2-N 3.12Å; R131-D324 IonicContact CZ-OD2 2.72Å; R131-D324 IonicContact NH1-OD2 3.12Å; R131-D324 PolarHBondContact NH1-OD2 2.91Å; R131-D324 IonicContact NH2-OD2 3.67Å; R131-D324 PolarHBondContact NH2-OD2 3.36Å
132D84.6Confident85.2Confident82 Ų8266.7 Ų66.744%0.43935%0.354SS..Hα-helixtrans-67.8-40-179.7-71.8-16.9000111.5V128 A129 R135 G136V128-D132 PolarHBondContact O-N 2.85Å; A129-D132 PolarHBondContact O-N 3.25Å; D132-R135 PolarHBondContact O-N 3.45Å; D132-R135 IonicContact OD1-CZ 3.5Å; D132-R135 IonicContact OD1-NH1 3.99Å; D132-R135 PolarHBondContact OD1-NH1 2.92Å; D132-G136 PolarHBondContact O-N 2.9Å
133L86.6Confident85.5Confident117 Ų11767.6 Ų67.661%0.61336%0.359SS*.Hα-helixtrans-58.9-49.2171.1-75.4171.7000111.4A129 R135 G136 L137A129-L133 WeakPolarHBondContact O-CB 3.39Å; A129-L133 VanDerWaalsContact O-CG 3.3Å; A129-L133 WeakPolarHBondContact O-CG 3.37Å; A129-L133 PolarHBondContact O-N 3.01Å; L133-R135 VanDerWaalsContact C-N 3.29Å; L133-R135 PolarHBondContact O-N 2.99Å; L133-G136 PolarHBondContact O-N 2.89Å; L133-L137 WeakPolarHBondContact O-CB 3.38Å; L133-L137 WeakPolarHBondContact O-CG 3.32Å; L133-L137 PolarHBondContact O-N 3.02Å
134V84.9Confident86.1Confident25 Ų2569.3 Ų69.315%0.15237%0.374CS..Hα-helixtrans-59.8-40177161.80000111.6A130 R131 A138 L185 P303A130-V134 WeakPolarHBondContact O-CB 3.36Å; A130-V134 VanDerWaalsContact O-CG2 3.29Å; A130-V134 WeakPolarHBondContact O-CG2 3.38Å; A130-V134 PolarHBondContact O-N 3.07Å; R131-V134 PolarHBondContact O-N 2.92Å; V134-A138 WeakPolarHBondContact O-CB 3.48Å; V134-A138 PolarHBondContact O-N 3.3Å; V134-L185 HydrophobicContact CG1-CD1 3.78Å; V134-L185 HydrophobicContact CG1-CD2 3.73Å; V134-L185 HydrophobicContact CG1-CG 3.44Å; V134-L185 VanDerWaalsContact CG1-CG 3.44Å; V134-L185 HydrophobicContact CG2-CD1 4.37Å; V134-P303 HydrophobicContact CG2-CB 4.08Å; V134-P303 HydrophobicContact CG2-CG 4.02Å
135R84.7Confident86.8Confident93 Ų9366 Ų6635%0.35136%0.36SS..Hα-helixtrans-65.1-44.2177-167.1-176.6-65.3109.9-1.9112R131 D132 L133 A138 H139 L186R131-R135 WeakPolarHBondContact O-CB 3.34Å; R131-R135 PolarHBondContact O-N 3.07Å; D132-R135 PolarHBondContact O-N 3.45Å; D132-R135 IonicContact OD1-CZ 3.5Å; D132-R135 IonicContact OD1-NH1 3.99Å; D132-R135 PolarHBondContact OD1-NH1 2.92Å; L133-R135 VanDerWaalsContact C-N 3.29Å; L133-R135 PolarHBondContact O-N 2.99Å; R135-A138 PolarHBondContact O-N 2.92Å; R135-H139 PolarHBondContact O-CD2 2.97Å; R135-H139 VanDerWaalsContact O-CD2 3.31Å; R135-H139 PolarHBondContact O-N 3.23Å; R135-L186 HydrophobicContact CB-CD2 4.18Å; R135-L186 HydrophobicContact CG-CD2 4.07Å
136G86Confident87.1Confident36 Ų3665.6 Ų65.637%0.37136%0.36SS..Hα-helixtrans-60-51.117500000112D132 L133 A138 H139 E140D132-G136 PolarHBondContact O-N 2.9Å; L133-G136 PolarHBondContact O-N 2.89Å; G136-A138 VanDerWaalsContact C-N 3.32Å; G136-A138 PolarHBondContact O-N 3.18Å; G136-H139 PolarHBondContact O-N 2.87Å; G136-E140 PolarHBondContact O-N 3.12Å; G136-E140 VanDerWaalsContact O-N 3.14Å
137L87.9Confident87.5Confident95 Ų9563.6 Ų63.650%0.49736%0.363SS..Hα-helixtrans-61.2-39.5177.7-70.4174.1000112.2L133 H139 E140 I141L133-L137 WeakPolarHBondContact O-CB 3.38Å; L133-L137 WeakPolarHBondContact O-CG 3.32Å; L133-L137 PolarHBondContact O-N 3.02Å; L137-H139 VanDerWaalsContact C-N 3.29Å; L137-H139 PolarHBondContact O-N 3.44Å; L137-E140 PolarHBondContact O-N 3.42Å; L137-E140 VanDerWaalsContact O-N 3.16Å; L137-I141 HydrophobicContact CB-CD1 4.47Å; L137-I141 WeakPolarHBondContact O-CB 3.42Å; L137-I141 WeakPolarHBondContact O-CG1 3.31Å; L137-I141 PolarHBondContact O-N 3.48Å
138A87.2Confident88.2Confident1 Ų167.2 Ų67.21%0.00838%0.383CS..Hα-helixtrans-60.7-39.4177.900000112.1V134 R135 G136 K142 V182 L186V134-A138 WeakPolarHBondContact O-CB 3.48Å; V134-A138 PolarHBondContact O-N 3.3Å; R135-A138 PolarHBondContact O-N 2.92Å; G136-A138 VanDerWaalsContact C-N 3.32Å; G136-A138 PolarHBondContact O-N 3.18Å; A138-K142 WeakPolarHBondContact O-CB 3.18Å; A138-K142 VanDerWaalsContact O-CG 3.22Å; A138-K142 WeakPolarHBondContact O-CG 3.41Å; A138-K142 PolarHBondContact O-N 3.38Å; A138-V182 HydrophobicContact CB-CG1 3.49Å; A138-V182 VanDerWaalsContact CB-CG1 3.49Å; A138-L186 HydrophobicContact CB-CD1 3.75Å; A138-L186 HydrophobicContact CB-CD2 3.68Å; A138-L186 HydrophobicContact CB-CG 3.72Å
139H85.4Confident88.7Confident114 Ų11468.7 Ų68.753%0.52838%0.383SS..Hα-helixtrans-64.5-45173.5-82.4-66.2000111.8R135 G136 L137 I141 K142 N143R135-H139 PolarHBondContact O-CD2 2.97Å; R135-H139 VanDerWaalsContact O-CD2 3.31Å; R135-H139 PolarHBondContact O-N 3.23Å; G136-H139 PolarHBondContact O-N 2.87Å; L137-H139 VanDerWaalsContact C-N 3.29Å; L137-H139 PolarHBondContact O-N 3.44Å; H139-I141 VanDerWaalsContact C-N 3.32Å; H139-I141 PolarHBondContact O-N 2.96Å; H139-K142 PolarHBondContact O-N 2.81Å; H139-N143 PolarHBondContact O-N 2.84Å; H139-N143 PolarHBondContact O-ND2 2.79Å
140E90.2Very high89.1Confident138 Ų13867.4 Ų67.465%0.64537%0.374SS*.Hα-helixtrans-66.7-30.3178.8-69.7-172.9-171.800113.5G136 L137 P144G136-E140 PolarHBondContact O-N 3.12Å; G136-E140 VanDerWaalsContact O-N 3.14Å; L137-E140 PolarHBondContact O-N 3.42Å; L137-E140 VanDerWaalsContact O-N 3.16Å; E140-P144 WeakPolarHBondContact O-CD 3.39Å; E140-P144 WeakPolarHBondContact O-CG 3.43Å
141I90.9Very high89.6Confident74 Ų7469.2 Ų69.238%0.37939%0.389SS..Hα-helixtrans-80.7-36.7176.8-65.3164.7000111.6L137 H139 N143 P144 L145 V182L137-I141 HydrophobicContact CB-CD1 4.47Å; L137-I141 WeakPolarHBondContact O-CB 3.42Å; L137-I141 WeakPolarHBondContact O-CG1 3.31Å; L137-I141 PolarHBondContact O-N 3.48Å; H139-I141 VanDerWaalsContact C-N 3.32Å; H139-I141 PolarHBondContact O-N 2.96Å; I141-N143 PolarHBondContact O-N 3.33Å; I141-P144 WeakPolarHBondContact O-CD 3.3Å; I141-P144 VanDerWaalsContact O-CG 3.26Å; I141-P144 WeakPolarHBondContact O-CG 3.27Å; I141-L145 HydrophobicContact CG2-CD1 3.78Å; I141-L145 HydrophobicContact CG2-CG 4.24Å; I141-L145 VanDerWaalsContact O-CG 3.29Å; I141-L145 WeakPolarHBondContact O-CG 3.4Å; I141-L145 PolarHBondContact O-N 3.18Å; I141-V182 HydrophobicContact CB-CG2 4.36Å; I141-V182 HydrophobicContact CG2-CG2 3.7Å
142K89.8Confident90.2Very high58 Ų5866.9 Ų66.925%0.25238%0.381SS..Hα-helixtrans-60.8-35.8177.9-81.8173.5178.7-176.30112.3A138 H139 L145 G146 V182 D183 L186A138-K142 WeakPolarHBondContact O-CB 3.18Å; A138-K142 VanDerWaalsContact O-CG 3.22Å; A138-K142 WeakPolarHBondContact O-CG 3.41Å; A138-K142 PolarHBondContact O-N 3.38Å; H139-K142 PolarHBondContact O-N 2.81Å; K142-L145 PolarHBondContact O-N 2.74Å; K142-G146 PolarHBondContact O-N 3.11Å; K142-V182 HydrophobicContact CD-CG1 4.48Å; K142-V182 HydrophobicContact CG-CG1 4.13Å; K142-D183 WeakPolarHBondContact CE-OD1 3.28Å; K142-D183 IonicContact NZ-OD1 2.63Å; K142-D183 PolarHBondContact NZ-OD1 3.4Å; K142-L186 VanDerWaalsContact NZ-CD1 3.32Å
143N90.1Very high90.7Very high122 Ų12266.5 Ų66.565%0.65238%0.376SS*.Hα-helixtrans-59.8-57.3179.8-69.2-15000113.7H139 I141 L145 G146 G147H139-N143 PolarHBondContact O-N 2.84Å; H139-N143 PolarHBondContact O-ND2 2.79Å; I141-N143 PolarHBondContact O-N 3.33Å; N143-L145 VanDerWaalsContact C-N 3.32Å; N143-L145 PolarHBondContact O-N 3.19Å; N143-G146 PolarHBondContact O-N 2.86Å; N143-G147 PolarHBondContact O-N 3.32Å
144P94Very high91Very high81 Ų8166.6 Ų66.653%0.52638%0.377SS..Hα-helixtrans-66-31.7177.725.9-34.4000112.4E140 I141 G147 L148E140-P144 WeakPolarHBondContact O-CD 3.39Å; E140-P144 WeakPolarHBondContact O-CG 3.43Å; I141-P144 WeakPolarHBondContact O-CD 3.3Å; I141-P144 VanDerWaalsContact O-CG 3.26Å; I141-P144 WeakPolarHBondContact O-CG 3.27Å; P144-G147 PolarHBondContact O-N 2.89Å; P144-L148 VanDerWaalsContact O-CB 3.22Å; P144-L148 WeakPolarHBondContact O-CB 3.32Å; P144-L148 PolarHBondContact O-N 2.98Å
145L94.1Very high91.5Very high19 Ų1969.4 Ų69.410%0.09939%0.391CS..Hα-helixtrans-64.7-41173.6-68.4176.4000112I141 K142 N143 L148 R149 L178 R179I141-L145 HydrophobicContact CG2-CD1 3.78Å; I141-L145 HydrophobicContact CG2-CG 4.24Å; I141-L145 VanDerWaalsContact O-CG 3.29Å; I141-L145 WeakPolarHBondContact O-CG 3.4Å; I141-L145 PolarHBondContact O-N 3.18Å; K142-L145 PolarHBondContact O-N 2.74Å; N143-L145 VanDerWaalsContact C-N 3.32Å; N143-L145 PolarHBondContact O-N 3.19Å; L145-L148 PolarHBondContact O-N 2.79Å; L145-R149 VanDerWaalsContact O-CB 3.28Å; L145-R149 WeakPolarHBondContact O-CB 3.35Å; L145-R149 PolarHBondContact O-N 2.81Å; L145-L178 HydrophobicContact CD1-CB 3.7Å; L145-L178 HydrophobicContact CD2-CB 3.75Å; L145-L178 HydrophobicContact CD2-CD1 3.69Å; L145-L178 HydrophobicContact CD2-CG 4.38Å; L145-L178 HydrophobicContact CG-CB 4.41Å; L145-R179 HydrophobicContact CD1-CB 4.36Å
146G93.1Very high91.8Very high46 Ų4666.7 Ų66.747%0.47439%0.386SS..Hα-helixtrans-61.4-43.417200000112.2K142 N143 G150K142-G146 PolarHBondContact O-N 3.11Å; N143-G146 PolarHBondContact O-N 2.86Å; G146-G150 PolarHBondContact O-N 2.88Å
147G93.9Very high92.1Very high47 Ų4773.4 Ų73.449%0.48541%0.405SS..Hα-helixtrans-63.2-45.7175.400000113.3N143 P144 G150 A151N143-G147 PolarHBondContact O-N 3.32Å; P144-G147 PolarHBondContact O-N 2.89Å; G147-G150 PolarHBondContact O-N 2.85Å; G147-A151 WeakPolarHBondContact O-CB 3.42Å; G147-A151 PolarHBondContact O-N 3.41Å
148L94.1Very high92.3Very high86 Ų8672.6 Ų72.645%0.4541%0.412SS..Hα-helixtrans-64-43.6178.8-178.7150.2000111.3P144 L145 A151 A152 I171 A175P144-L148 VanDerWaalsContact O-CB 3.22Å; P144-L148 WeakPolarHBondContact O-CB 3.32Å; P144-L148 PolarHBondContact O-N 2.98Å; L145-L148 PolarHBondContact O-N 2.79Å; L148-A151 PolarHBondContact O-N 3.26Å; L148-A152 WeakPolarHBondContact O-CB 3.32Å; L148-A152 PolarHBondContact O-N 2.92Å; L148-I171 HydrophobicContact CD2-CG2 3.41Å; L148-I171 VanDerWaalsContact CD2-CG2 3.41Å; L148-I171 HydrophobicContact CG-CG2 4.17Å; L148-A175 HydrophobicContact CD2-CB 3.65Å
149R94.5Very high92.5Very high85 Ų8574.6 Ų74.632%0.32142%0.422SS..Hα-helixtrans-60.9-45.9172.3-177.1174.2-178.5-100.23.6111.7L145 A152 Q153 I172 A175 D176L145-R149 VanDerWaalsContact O-CB 3.28Å; L145-R149 WeakPolarHBondContact O-CB 3.35Å; L145-R149 PolarHBondContact O-N 2.81Å; R149-A152 PolarHBondContact O-N 2.92Å; R149-Q153 VanDerWaalsContact O-CG 3.3Å; R149-Q153 WeakPolarHBondContact O-CG 3.49Å; R149-Q153 PolarHBondContact O-N 2.84Å; R149-I172 HydrophobicContact CG-CG2 4.33Å; R149-A175 HydrophobicContact CB-CB 4.02Å; R149-D176 WeakPolarHBondContact CD-OD1 3.44Å; R149-D176 IonicContact CZ-OD1 3.84Å; R149-D176 IonicContact NE-OD1 2.99Å; R149-D176 PolarHBondContact NE-OD1 2.96Å; R149-D176 IonicContact NE-OD2 3.41Å; R149-D176 PolarHBondContact NE-OD2 2.89Å
150G94.5Very high92.6Very high24 Ų2475 Ų7525%0.24744%0.435CS..Hα-helixtrans-62.3-43.5177.400000112.9G146 G147 Q153 L154G146-G150 PolarHBondContact O-N 2.88Å; G147-G150 PolarHBondContact O-N 2.85Å; G150-Q153 PolarHBondContact O-N 3Å; G150-L154 WeakPolarHBondContact O-CG 3.09Å; G150-L154 PolarHBondContact O-N 2.92Å
151A94.8Very high92.6Very high58 Ų5871.9 Ų71.948%0.47942%0.423SS..Hα-helixtrans-63.3-43.2176.200000111.8G147 L148 Q153 L154 L155G147-A151 WeakPolarHBondContact O-CB 3.42Å; G147-A151 PolarHBondContact O-N 3.41Å; L148-A151 PolarHBondContact O-N 3.26Å; A151-Q153 VanDerWaalsContact C-N 3.34Å; A151-Q153 PolarHBondContact O-N 2.64Å; A151-L154 PolarHBondContact O-N 3.32Å; A151-L155 WeakPolarHBondContact O-CB 3.34Å; A151-L155 PolarHBondContact O-N 3.02Å
152A94.1Very high92.4Very high4 Ų473 Ų733%0.03343%0.434CS..Hα-helixtrans-63.9-37.8175.800000112.5L148 R149 L155 S156 I171 I172L148-A152 WeakPolarHBondContact O-CB 3.32Å; L148-A152 PolarHBondContact O-N 2.92Å; R149-A152 PolarHBondContact O-N 2.92Å; A152-L155 PolarHBondContact O-N 2.93Å; A152-S156 WeakPolarHBondContact O-CB 3.37Å; A152-S156 PolarHBondContact O-N 3.44Å; A152-I171 HydrophobicContact CB-CB 4.07Å; A152-I171 HydrophobicContact CB-CG2 3.64Å; A152-I172 HydrophobicContact CB-CD1 4.32Å; A152-I172 HydrophobicContact CB-CG1 3.73Å
153Q93.7Very high92.3Very high73 Ų7373.3 Ų73.334%0.34144%0.444SS..Hα-helixtrans-67.8-34.1174-74.8177.4-19.400113.4R149 G150 A151 S156 K157 I172R149-Q153 VanDerWaalsContact O-CG 3.3Å; R149-Q153 WeakPolarHBondContact O-CG 3.49Å; R149-Q153 PolarHBondContact O-N 2.84Å; G150-Q153 PolarHBondContact O-N 3Å; A151-Q153 VanDerWaalsContact C-N 3.34Å; A151-Q153 PolarHBondContact O-N 2.64Å; Q153-S156 PolarHBondContact O-OG 2.96Å; Q153-K157 WeakPolarHBondContact O-CG 3.11Å; Q153-I172 HydrophobicContact CG-CD1 3.66Å; Q153-I172 HydrophobicContact CG-CG1 4.28Å
154L94.2Very high92.4Very high119 Ų11970.3 Ų70.362%0.62343%0.428SS*.Hα-helixtrans-71-42.9172.9-70.9172.9000110.6G150 A151 S156 K157 A158G150-L154 WeakPolarHBondContact O-CG 3.09Å; G150-L154 PolarHBondContact O-N 2.92Å; A151-L154 PolarHBondContact O-N 3.32Å; L154-S156 VanDerWaalsContact C-N 3.34Å; L154-S156 PolarHBondContact O-N 2.98Å; L154-K157 PolarHBondContact O-N 3.4Å; L154-K157 VanDerWaalsContact O-N 3.14Å; L154-A158 PolarHBondContact O-N 3.23Å
155L93.9Very high92.2Very high85 Ų8569.9 Ų69.945%0.44542%0.421SS..Hα-helixtrans-59.5-45.4175.9-175.659.2000110.8A151 A152 K157 A158 L159 T168A151-L155 WeakPolarHBondContact O-CB 3.34Å; A151-L155 PolarHBondContact O-N 3.02Å; A152-L155 PolarHBondContact O-N 2.93Å; L155-K157 PolarHBondContact O-N 3.32Å; L155-K157 VanDerWaalsContact O-N 3.11Å; L155-A158 PolarHBondContact O-N 2.9Å; L155-L159 HydrophobicContact CD1-CD2 4.1Å; L155-L159 HydrophobicContact CD1-CG 4.16Å; L155-L159 HydrophobicContact CG-CD1 4.17Å; L155-L159 HydrophobicContact CG-CD2 4.43Å; L155-L159 HydrophobicContact CG-CG 4.16Å; L155-L159 VanDerWaalsContact O-CG 3.29Å; L155-L159 WeakPolarHBondContact O-CG 3.46Å; L155-L159 PolarHBondContact O-N 3.42Å; L155-T168 HydrophobicContact CB-CG2 4.1Å; L155-T168 HydrophobicContact CD2-CG2 3.93Å; L155-T168 HydrophobicContact CG-CG2 3.84Å
156S92.5Very high92.1Very high35 Ų3575.7 Ų75.725%0.24545%0.447CS..Hα-helixtrans-58.8-27.8178.269.10000113.4A152 Q153 L154 L165 T168A152-S156 WeakPolarHBondContact O-CB 3.37Å; A152-S156 PolarHBondContact O-N 3.44Å; Q153-S156 PolarHBondContact O-OG 2.96Å; L154-S156 VanDerWaalsContact C-N 3.34Å; L154-S156 PolarHBondContact O-N 2.98Å; S156-L165 WeakPolarHBondContact O-CD2 3.44Å; S156-T168 VanDerWaalsContact CB-OG1 3.3Å; S156-T168 WeakPolarHBondContact CB-OG1 3.38Å
157K91.6Very high92Very high178 Ų17881 Ų8177%0.77445%0.454SS*.Hα-helixtrans-82.5-22176.7-68.8174.8-179.1-179.10113.4Q153 L154 L155Q153-K157 WeakPolarHBondContact O-CG 3.11Å; L154-K157 PolarHBondContact O-N 3.4Å; L154-K157 VanDerWaalsContact O-N 3.14Å; L155-K157 PolarHBondContact O-N 3.32Å; L155-K157 VanDerWaalsContact O-N 3.11Å
158A91.9Very high92Very high78 Ų7879 Ų7965%0.64543%0.433SS*.Hα-helixtrans-99.7-13.1-176.200000113.5L154 L155L154-A158 PolarHBondContact O-N 3.23Å; L155-A158 PolarHBondContact O-N 2.9Å
159L91.1Very high92Very high42 Ų4281 Ų8122%0.2244%0.438CS..  trans-69.2125.3-179.5-75.6169.2000111.2L155 L164 L165 T168L155-L159 HydrophobicContact CD1-CD2 4.1Å; L155-L159 HydrophobicContact CD1-CG 4.16Å; L155-L159 HydrophobicContact CG-CD1 4.17Å; L155-L159 HydrophobicContact CG-CD2 4.43Å; L155-L159 HydrophobicContact CG-CG 4.16Å; L155-L159 VanDerWaalsContact O-CG 3.29Å; L155-L159 WeakPolarHBondContact O-CG 3.46Å; L155-L159 PolarHBondContact O-N 3.42Å; L159-L164 HydrophobicContact CB-CB 4.41Å; L159-L164 HydrophobicContact CD1-CB 3.73Å; L159-L164 HydrophobicContact CD2-CB 3.83Å; L159-L164 HydrophobicContact CD2-CD1 3.7Å; L159-L164 HydrophobicContact CD2-CG 4.42Å; L159-L164 HydrophobicContact CG-CB 4.2Å; L159-L165 HydrophobicContact CD1-CD2 4.45Å; L159-T168 HydrophobicContact CD1-CG2 3.49Å; L159-T168 VanDerWaalsContact CD1-CG2 3.49Å
160P87.1Confident91.9Very high122 Ų12280.1 Ų80.179%0.79244%0.442SS*.SBendtrans-79.6-24.9-178.131.4-34.9000112.9
161D90.4Very high91.9Very high73 Ų7382.2 Ų82.239%0.3945%0.447SS..SBendtrans-104.1117.4-178.3-179.20.7000110.1S163 L164D161-S163 PolarHBondContact O-N 3.44Å; D161-S163 VanDerWaalsContact O-N 3.12Å; D161-S163 WeakPolarHBondContact OD1-CB 3.39Å; D161-S163 PolarHBondContact OD1-N 3.46Å; D161-S163 PolarHBondContact OD1-OG 2.89Å; D161-S163 PolarHBondContact OD2-OG 3.37Å; D161-L164 HydrophobicContact CB-CD1 4.04Å; D161-L164 HydrophobicContact CB-CG 4.04Å; D161-L164 WeakPolarHBondContact O-CB 2.96Å; D161-L164 PolarHBondContact O-N 2.96Å
162P87.7Confident91.8Very high97 Ų9781 Ų8163%0.6343%0.432SS*.G310 helixtrans-53.8-26.7174.1-27.135.6000114.4L164 L165P162-L164 PolarHBondContact O-N 3.27Å; P162-L165 HydrophobicContact CB-CD1 4.34Å; P162-L165 WeakPolarHBondContact O-CB 3.4Å; P162-L165 WeakPolarHBondContact O-CG 3.41Å; P162-L165 PolarHBondContact O-N 3.05Å
163S87.9Confident91.8Very high66 Ų6685.4 Ų85.446%0.46245%0.452SS..G310 helixtrans-62.1-27.6176.684.80000112.5D161 L165D161-S163 PolarHBondContact O-N 3.44Å; D161-S163 VanDerWaalsContact O-N 3.12Å; D161-S163 WeakPolarHBondContact OD1-CB 3.39Å; D161-S163 PolarHBondContact OD1-N 3.46Å; D161-S163 PolarHBondContact OD1-OG 2.89Å; D161-S163 PolarHBondContact OD2-OG 3.37Å; S163-L165 VanDerWaalsContact C-N 3.33Å
164L90.4Very high91.8Very high59 Ų5985.9 Ų85.931%0.30945%0.454SS..G310 helixtrans-80.8-14.5-179-58.8177.6000113L159 D161 P162 E166 Y167L159-L164 HydrophobicContact CB-CB 4.41Å; L159-L164 HydrophobicContact CD1-CB 3.73Å; L159-L164 HydrophobicContact CD2-CB 3.83Å; L159-L164 HydrophobicContact CD2-CD1 3.7Å; L159-L164 HydrophobicContact CD2-CG 4.42Å; L159-L164 HydrophobicContact CG-CB 4.2Å; D161-L164 HydrophobicContact CB-CD1 4.04Å; D161-L164 HydrophobicContact CB-CG 4.04Å; D161-L164 WeakPolarHBondContact O-CB 2.96Å; D161-L164 PolarHBondContact O-N 2.96Å; P162-L164 PolarHBondContact O-N 3.27Å; L164-E166 PolarHBondContact O-N 3.48Å; L164-Y167 HydrophobicContact CB-CD2 4.44Å; L164-Y167 HydrophobicContact CD2-CD2 4.06Å; L164-Y167 HydrophobicContact CD2-CE2 3.82Å; L164-Y167 PolarHBondContact O-N 3.03Å
165L91.4Very high91.8Very high72 Ų7280.3 Ų80.338%0.37743%0.425SS..Hα-helixtrans-62.6-29.6179-65.7174.4000111.9S156 L159 P162 S163 Y167 T168 K169S156-L165 WeakPolarHBondContact O-CD2 3.44Å; L159-L165 HydrophobicContact CD1-CD2 4.45Å; P162-L165 HydrophobicContact CB-CD1 4.34Å; P162-L165 WeakPolarHBondContact O-CB 3.4Å; P162-L165 WeakPolarHBondContact O-CG 3.41Å; P162-L165 PolarHBondContact O-N 3.05Å; S163-L165 VanDerWaalsContact C-N 3.33Å; L165-Y167 VanDerWaalsContact C-N 3.3Å; L165-Y167 PolarHBondContact O-N 3.31Å; L165-T168 PolarHBondContact O-N 2.74Å; L165-T168 PolarHBondContact O-OG1 2.69Å; L165-K169 PolarHBondContact O-N 3Å
166E91.3Very high91.7Very high140 Ų14078.5 Ų78.565%0.65442%0.416SS*.Hα-helixtrans-56.7-43.6176.9-171.5174.5179.600111.6L164 T168 K169 V170L164-E166 PolarHBondContact O-N 3.48Å; E166-T168 PolarHBondContact O-N 3.42Å; E166-K169 WeakPolarHBondContact O-CB 3.39Å; E166-K169 PolarHBondContact O-N 3.39Å; E166-V170 WeakPolarHBondContact O-CG2 3.49Å; E166-V170 PolarHBondContact O-N 3.01Å
167Y91.4Very high91.5Very high157 Ų15784.9 Ų84.962%0.61643%0.434SS*.Hα-helixtrans-62.5-44.1177.4-58.9-69.1000112.2L164 L165 K169 V170 I171L164-Y167 HydrophobicContact CB-CD2 4.44Å; L164-Y167 HydrophobicContact CD2-CD2 4.06Å; L164-Y167 HydrophobicContact CD2-CE2 3.82Å; L164-Y167 PolarHBondContact O-N 3.03Å; L165-Y167 VanDerWaalsContact C-N 3.3Å; L165-Y167 PolarHBondContact O-N 3.31Å; Y167-K169 VanDerWaalsContact C-N 3.3Å; Y167-K169 PolarHBondContact O-N 3.46Å; Y167-V170 PolarHBondContact O-N 3.28Å; Y167-I171 VanDerWaalsContact O-CG1 3.29Å; Y167-I171 WeakPolarHBondContact O-CG1 3.49Å; Y167-I171 PolarHBondContact O-N 3.38Å
168T93.8Very high91.5Very high5 Ų580.5 Ų80.53%0.03142%0.419CS..Hα-helixtrans-65.8-36.4178.960.80000112.1L155 S156 L159 L165 E166 I171 I172L155-T168 HydrophobicContact CB-CG2 4.1Å; L155-T168 HydrophobicContact CD2-CG2 3.93Å; L155-T168 HydrophobicContact CG-CG2 3.84Å; S156-T168 VanDerWaalsContact CB-OG1 3.3Å; S156-T168 WeakPolarHBondContact CB-OG1 3.38Å; L159-T168 HydrophobicContact CD1-CG2 3.49Å; L159-T168 VanDerWaalsContact CD1-CG2 3.49Å; L165-T168 PolarHBondContact O-N 2.74Å; L165-T168 PolarHBondContact O-OG1 2.69Å; E166-T168 PolarHBondContact O-N 3.42Å; T168-I171 PolarHBondContact O-N 2.91Å; T168-I172 VanDerWaalsContact O-CG1 3.3Å; T168-I172 WeakPolarHBondContact O-CG1 3.04Å; T168-I172 PolarHBondContact O-N 2.99Å
169K93Very high91.4Very high128 Ų12882.5 Ų82.556%0.55741%0.41SS*.Hα-helixtrans-62.8-47.7174.7-175.6-178.8174-172.50111L165 E166 Y167 I171 I172 E173L165-K169 PolarHBondContact O-N 3Å; E166-K169 WeakPolarHBondContact O-CB 3.39Å; E166-K169 PolarHBondContact O-N 3.39Å; Y167-K169 VanDerWaalsContact C-N 3.3Å; Y167-K169 PolarHBondContact O-N 3.46Å; K169-I171 VanDerWaalsContact C-N 3.32Å; K169-I171 PolarHBondContact O-N 3.49Å; K169-I172 PolarHBondContact O-N 3.23Å; K169-E173 WeakPolarHBondContact CE-OE1 3.45Å; K169-E173 WeakPolarHBondContact O-CB 3.32Å; K169-E173 WeakPolarHBondContact O-CG 3.17Å; K169-E173 PolarHBondContact O-N 3.3Å
170V93.4Very high91.1Very high68 Ų6884.5 Ų84.541%0.41242%0.421SS..Hα-helixtrans-58-43.9176.1172.10000111.2E166 Y167 I172 E173 Q174E166-V170 WeakPolarHBondContact O-CG2 3.49Å; E166-V170 PolarHBondContact O-N 3.01Å; Y167-V170 PolarHBondContact O-N 3.28Å; V170-I172 PolarHBondContact O-N 3.48Å; V170-E173 PolarHBondContact O-N 3.14Å; V170-Q174 HydrophobicContact CG1-CG 4.43Å; V170-Q174 WeakPolarHBondContact O-CG 3.35Å; V170-Q174 PolarHBondContact O-N 3.49Å
171I93.8Very high90.9Very high68 Ų6882 Ų8235%0.34940%0.401SS..Hα-helixtrans-62-45.6178.4-66.5166.7000111.2L148 A152 Y167 T168 K169 Q174 A175L148-I171 HydrophobicContact CD2-CG2 3.41Å; L148-I171 VanDerWaalsContact CD2-CG2 3.41Å; L148-I171 HydrophobicContact CG-CG2 4.17Å; A152-I171 HydrophobicContact CB-CB 4.07Å; A152-I171 HydrophobicContact CB-CG2 3.64Å; Y167-I171 VanDerWaalsContact O-CG1 3.29Å; Y167-I171 WeakPolarHBondContact O-CG1 3.49Å; Y167-I171 PolarHBondContact O-N 3.38Å; T168-I171 PolarHBondContact O-N 2.91Å; K169-I171 VanDerWaalsContact C-N 3.32Å; K169-I171 PolarHBondContact O-N 3.49Å; I171-Q174 PolarHBondContact O-N 2.86Å; I171-A175 WeakPolarHBondContact O-CB 3.29Å; I171-A175 PolarHBondContact O-N 3.35Å
172I93.1Very high90.7Very high31 Ų3179.1 Ų79.116%0.15939%0.385CS..Hα-helixtrans-61.4-45.7177.3-69.1165.4000110.5R149 A152 Q153 T168 K169 V170 Q174 A175 D176R149-I172 HydrophobicContact CG-CG2 4.33Å; A152-I172 HydrophobicContact CB-CD1 4.32Å; A152-I172 HydrophobicContact CB-CG1 3.73Å; Q153-I172 HydrophobicContact CG-CD1 3.66Å; Q153-I172 HydrophobicContact CG-CG1 4.28Å; T168-I172 VanDerWaalsContact O-CG1 3.3Å; T168-I172 WeakPolarHBondContact O-CG1 3.04Å; T168-I172 PolarHBondContact O-N 2.99Å; K169-I172 PolarHBondContact O-N 3.23Å; V170-I172 PolarHBondContact O-N 3.48Å; I172-Q174 PolarHBondContact O-N 2.95Å; I172-A175 WeakPolarHBondContact O-CB 3.34Å; I172-A175 PolarHBondContact O-N 2.84Å; I172-D176 PolarHBondContact O-N 2.87Å
173E94.1Very high90.6Very high97 Ų9777.1 Ų77.145%0.45337%0.369SS..Hα-helixtrans-62-40.5178.1-73.5174.8-179.400112.2K169 V170 R177K169-E173 WeakPolarHBondContact CE-OE1 3.45Å; K169-E173 WeakPolarHBondContact O-CB 3.32Å; K169-E173 WeakPolarHBondContact O-CG 3.17Å; K169-E173 PolarHBondContact O-N 3.3Å; V170-E173 PolarHBondContact O-N 3.14Å; E173-R177 VanDerWaalsContact O-CB 3.27Å; E173-R177 WeakPolarHBondContact O-CB 3.48Å; E173-R177 PolarHBondContact O-N 2.78Å
174Q93.2Very high90.2Very high83 Ų8381.5 Ų81.539%0.38838%0.376SS..Hα-helixtrans-68.2-38174.8-66.5-44.3-5700112.3V170 I171 I172 R177 L178V170-Q174 HydrophobicContact CG1-CG 4.43Å; V170-Q174 WeakPolarHBondContact O-CG 3.35Å; V170-Q174 PolarHBondContact O-N 3.49Å; I171-Q174 PolarHBondContact O-N 2.86Å; I172-Q174 PolarHBondContact O-N 2.95Å; Q174-R177 PolarHBondContact O-N 3.1Å; Q174-L178 WeakPolarHBondContact O-CG 3.38Å; Q174-L178 PolarHBondContact O-N 2.99Å
175A94.1Very high89.6Confident2 Ų280.2 Ų80.22%0.01737%0.369CS..Hα-helixtrans-62.2-45.9175.500000111.4L148 R149 I171 I172 L178 R179L148-A175 HydrophobicContact CD2-CB 3.65Å; R149-A175 HydrophobicContact CB-CB 4.02Å; I171-A175 WeakPolarHBondContact O-CB 3.29Å; I171-A175 PolarHBondContact O-N 3.35Å; I172-A175 WeakPolarHBondContact O-CB 3.34Å; I172-A175 PolarHBondContact O-N 2.84Å; A175-L178 PolarHBondContact O-N 2.94Å; A175-R179 WeakPolarHBondContact O-CB 3.18Å; A175-R179 PolarHBondContact O-N 2.9Å
176D92.4Very high89Confident47 Ų4777.9 Ų77.925%0.25136%0.357SS..Hα-helixtrans-67-37.9177.6-74.6-25.8000111.2R149 I172 R179 N180R149-D176 WeakPolarHBondContact CD-OD1 3.44Å; R149-D176 IonicContact CZ-OD1 3.84Å; R149-D176 IonicContact NE-OD1 2.99Å; R149-D176 PolarHBondContact NE-OD1 2.96Å; R149-D176 IonicContact NE-OD2 3.41Å; R149-D176 PolarHBondContact NE-OD2 2.89Å; I172-D176 PolarHBondContact O-N 2.87Å; D176-R179 PolarHBondContact O-N 2.82Å; D176-N180 WeakPolarHBondContact O-CB 3.42Å; D176-N180 PolarHBondContact O-N 2.99Å; D176-N180 PolarHBondContact O-ND2 3.34Å
177R88.8Confident88.2Confident169 Ų16971.8 Ų71.864%0.63833%0.332SS*.Hα-helixtrans-60.8-47.7173.1-177.1-176.7178.8-164.12.6112.2E173 Q174 N180 L181E173-R177 VanDerWaalsContact O-CB 3.27Å; E173-R177 WeakPolarHBondContact O-CB 3.48Å; E173-R177 PolarHBondContact O-N 2.78Å; Q174-R177 PolarHBondContact O-N 3.1Å; R177-N180 PolarHBondContact O-N 3.02Å; R177-L181 PolarHBondContact O-N 2.92Å
178L90.2Very high87.3Confident86 Ų8666.4 Ų66.445%0.4532%0.316SS..Hα-helixtrans-65.2-40.7177.9-73.8172.5000111.3L145 Q174 A175 N180 L181 V182L145-L178 HydrophobicContact CD1-CB 3.7Å; L145-L178 HydrophobicContact CD2-CB 3.75Å; L145-L178 HydrophobicContact CD2-CD1 3.69Å; L145-L178 HydrophobicContact CD2-CG 4.38Å; L145-L178 HydrophobicContact CG-CB 4.41Å; Q174-L178 WeakPolarHBondContact O-CG 3.38Å; Q174-L178 PolarHBondContact O-N 2.99Å; A175-L178 PolarHBondContact O-N 2.94Å; L178-N180 VanDerWaalsContact C-N 3.32Å; L178-N180 PolarHBondContact O-N 3.38Å; L178-L181 WeakPolarHBondContact O-CB 3.48Å; L178-L181 PolarHBondContact O-N 2.99Å; L178-L181 VanDerWaalsContact O-N 3.12Å; L178-V182 WeakPolarHBondContact O-CG2 3.47Å; L178-V182 PolarHBondContact O-N 2.9Å
179R90Very high86.1Confident120 Ų12070.5 Ų70.545%0.45334%0.335SS..Hα-helixtrans-58.2-46.9174.4179.3-178173.5171.92.3111L145 A175 D176 L181 V182 D183L145-R179 HydrophobicContact CD1-CB 4.36Å; A175-R179 WeakPolarHBondContact O-CB 3.18Å; A175-R179 PolarHBondContact O-N 2.9Å; D176-R179 PolarHBondContact O-N 2.82Å; R179-L181 VanDerWaalsContact C-N 3.27Å; R179-L181 PolarHBondContact O-N 2.82Å; R179-V182 PolarHBondContact O-N 2.93Å; R179-V182 VanDerWaalsContact O-N 3.16Å; R179-D183 IonicContact NE-OD2 3.83Å; R179-D183 PolarHBondContact O-N 3.37Å
180N85.4Confident85Confident84 Ų8471 Ų7145%0.44934%0.343SS..Hα-helixtrans-61.5-34.9176.8-71.4-26.7000112.3D176 R177 L178 R184D176-N180 WeakPolarHBondContact O-CB 3.42Å; D176-N180 PolarHBondContact O-N 2.99Å; D176-N180 PolarHBondContact O-ND2 3.34Å; R177-N180 PolarHBondContact O-N 3.02Å; L178-N180 VanDerWaalsContact C-N 3.32Å; L178-N180 PolarHBondContact O-N 3.38Å; N180-R184 VanDerWaalsContact O-CG 3.32Å; N180-R184 WeakPolarHBondContact O-CG 3.32Å; N180-R184 PolarHBondContact O-N 3.1Å
181L83.4Confident83.9Confident71 Ų7171.7 Ų71.737%0.37235%0.349SS..Hα-helixtrans-66-44.3174.3-176.766.4000111.4R177 L178 R179 D183 R184 L185 L314R177-L181 PolarHBondContact O-N 2.92Å; L178-L181 WeakPolarHBondContact O-CB 3.48Å; L178-L181 PolarHBondContact O-N 2.99Å; L178-L181 VanDerWaalsContact O-N 3.12Å; R179-L181 VanDerWaalsContact C-N 3.27Å; R179-L181 PolarHBondContact O-N 2.82Å; L181-D183 VanDerWaalsContact C-N 3.34Å; L181-R184 PolarHBondContact O-N 3.2Å; L181-L185 WeakPolarHBondContact O-CB 3.26Å; L181-L185 PolarHBondContact O-N 3.39Å; L181-L314 HydrophobicContact CD1-CD1 4.25Å
182V86.3Confident83.1Confident11 Ų1169.9 Ų69.97%0.06735%0.347CS..Hα-helixtrans-64.3-39.4176.2177.10000111.3A138 I141 K142 L178 R179 L185 L186A138-V182 HydrophobicContact CB-CG1 3.49Å; A138-V182 VanDerWaalsContact CB-CG1 3.49Å; I141-V182 HydrophobicContact CB-CG2 4.36Å; I141-V182 HydrophobicContact CG2-CG2 3.7Å; K142-V182 HydrophobicContact CD-CG1 4.48Å; K142-V182 HydrophobicContact CG-CG1 4.13Å; L178-V182 WeakPolarHBondContact O-CG2 3.47Å; L178-V182 PolarHBondContact O-N 2.9Å; R179-V182 PolarHBondContact O-N 2.93Å; R179-V182 VanDerWaalsContact O-N 3.16Å; V182-L185 WeakPolarHBondContact O-CB 3.14Å; V182-L185 PolarHBondContact O-N 3.03Å; V182-L186 PolarHBondContact O-N 3.45Å; V182-L186 VanDerWaalsContact O-N 3.12Å
183D84.7Confident82.9Confident55 Ų5573.9 Ų73.929%0.29437%0.373SS..Hα-helixtrans-64.3-39.2175.3-74.6-33.5000111.7K142 R179 L181 L186 G187K142-D183 WeakPolarHBondContact CE-OD1 3.28Å; K142-D183 IonicContact NZ-OD1 2.63Å; K142-D183 PolarHBondContact NZ-OD1 3.4Å; R179-D183 IonicContact NE-OD2 3.83Å; R179-D183 PolarHBondContact O-N 3.37Å; L181-D183 VanDerWaalsContact C-N 3.34Å; D183-L186 PolarHBondContact O-N 3.18Å; D183-G187 PolarHBondContact O-N 2.85Å; D183-G187 VanDerWaalsContact O-N 3.11Å
184R79.1Confident82.8Confident159 Ų15974.4 Ų74.460%0.637%0.371SS*.Hα-helixtrans-65.3-41172.7-72.8179.9-140.4-177.81.3112.6N180 L181 L186 G187 L314 I318N180-R184 VanDerWaalsContact O-CG 3.32Å; N180-R184 WeakPolarHBondContact O-CG 3.32Å; N180-R184 PolarHBondContact O-N 3.1Å; L181-R184 PolarHBondContact O-N 3.2Å; R184-L186 PolarHBondContact O-N 2.79Å; R184-G187 PolarHBondContact O-N 3.28Å; R184-L314 HydrophobicContact CB-CD1 4.25Å; R184-I318 WeakPolarHBondContact O-CD1 3.36Å
185L78.4Confident82.9Confident32 Ų3273.4 Ų73.417%0.16837%0.37CS..Hα-helixtrans-59.2-37177.8171.967.2000111.8V134 L181 V182 P303 M304 L314V134-L185 HydrophobicContact CG1-CD1 3.78Å; V134-L185 HydrophobicContact CG1-CD2 3.73Å; V134-L185 HydrophobicContact CG1-CG 3.44Å; V134-L185 VanDerWaalsContact CG1-CG 3.44Å; V134-L185 HydrophobicContact CG2-CD1 4.37Å; L181-L185 WeakPolarHBondContact O-CB 3.26Å; L181-L185 PolarHBondContact O-N 3.39Å; V182-L185 WeakPolarHBondContact O-CB 3.14Å; V182-L185 PolarHBondContact O-N 3.03Å; L185-P303 HydrophobicContact CD1-CB 3.54Å; L185-M304 HydrophobicContact CD1-CG 4.08Å; L185-M304 HydrophobicContact CD1-SD 4.48Å; L185-L314 HydrophobicContact CB-CD1 4.43Å; L185-L314 HydrophobicContact CB-CD2 4.22Å; L185-L314 HydrophobicContact CD1-CD2 3.37Å; L185-L314 HydrophobicContact CG-CD2 4.4Å
186L78.7Confident83Confident23 Ų2377.9 Ų77.912%0.1240%0.397CS..Hα-helixtrans-70.2-36.4173.1-75.2175.9000112.1R135 A138 K142 V182 D183 R184 Q189R135-L186 HydrophobicContact CB-CD2 4.18Å; R135-L186 HydrophobicContact CG-CD2 4.07Å; A138-L186 HydrophobicContact CB-CD1 3.75Å; A138-L186 HydrophobicContact CB-CD2 3.68Å; A138-L186 HydrophobicContact CB-CG 3.72Å; K142-L186 VanDerWaalsContact NZ-CD1 3.32Å; V182-L186 PolarHBondContact O-N 3.45Å; V182-L186 VanDerWaalsContact O-N 3.12Å; D183-L186 PolarHBondContact O-N 3.18Å; R184-L186 PolarHBondContact O-N 2.79Å; L186-Q189 VanDerWaalsContact C-NE2 3.28Å; L186-Q189 PolarHBondContact O-NE2 3.35Å
187G75Confident83.1Confident12 Ų1277.3 Ų77.312%0.12439%0.393CS..  trans66.8179.9-170.800000112.4D183 R184 Q189D183-G187 PolarHBondContact O-N 2.85Å; D183-G187 VanDerWaalsContact O-N 3.11Å; R184-G187 PolarHBondContact O-N 3.28Å; G187-Q189 PolarHBondContact O-N 3.33Å; G187-Q189 PolarHBondContact O-NE2 3.45Å
188P72.2Confident83.5Confident43 Ų4370.5 Ų70.528%0.27937%0.371SS..  trans-58.3124176-25.637.8000111.1L322 Q325P188-L322 HydrophobicContact CB-CD2 4.01Å; P188-L322 HydrophobicContact CG-CD2 3.84Å; P188-Q325 PolarHBondContact O-NE2 3.4Å
189Q68.9Low83.9Confident92 Ų9266.4 Ų66.443%0.4335%0.35SS..  trans-89.8-17.4-178.5-62.2-54.7-6000113.4L186 G187L186-Q189 VanDerWaalsContact C-NE2 3.28Å; L186-Q189 PolarHBondContact O-NE2 3.35Å; G187-Q189 PolarHBondContact O-N 3.33Å; G187-Q189 PolarHBondContact O-NE2 3.45Å
190L68.9Low84.2Confident139 Ų13962.2 Ų62.273%0.72834%0.335SS*.SBendtrans-113.2138.1-177-74.8135.7000109.2G192 Q237L190-G192 PolarHBondContact O-N 2.85Å; L190-Q237 PolarHBondContact O-NE2 3.15Å
191P70.3Confident84.8Confident82 Ų8263.6 Ų63.653%0.53234%0.337SS..  trans-55.5126.5164.1-18.230.2000108
192G77.9Confident85.5Confident30 Ų3060.2 Ų60.231%0.30932%0.32SS..  trans-79.9-164.2173.300000111.5L190 R194 D234L190-G192 PolarHBondContact O-N 2.85Å; G192-R194 PolarHBondContact O-N 3.24Å; G192-D234 WeakPolarHBondContact CA-OD2 3.13Å
193T88.6Confident86Confident115 Ų11559.8 Ų59.871%0.70632%0.317SS*.  trans-85.5114.7-170.8-58.30000110D234T193-D234 PolarHBondContact N-OD2 3.04Å; T193-D234 VanDerWaalsContact N-OD2 3.1Å
194R92.4Very high86.6Confident108 Ų10860.1 Ų60.141%0.40832%0.317SS..  trans-82.2131.7177.4-60.4-172.2-170.5179.37.4111.7G192 H233 Q325G192-R194 PolarHBondContact O-N 3.24Å; R194-H233 CarbonylContact C-O 3.5Å; R194-H233 VanDerWaalsContact CA-O 3.24Å; R194-H233 WeakPolarHBondContact CA-O 3.24Å; R194-Q325 PolarHBondContact NH2-O 2.88Å
195V94.8Very high87.5Confident62 Ų6257.3 Ų57.338%0.37631%0.306SS..EExtended strand (participates in β ladder)trans-117.7153.3169.8-62.50000109.4E197 A232 H233 P235V195-E197 HydrophobicContact CG2-CG 4.08Å; V195-A232 WeakPolarHBondContact O-CA 3.44Å; V195-H233 PolarHBondContact N-O 3.06Å; V195-H233 PolarHBondContact O-N 3.46Å; V195-P235 HydrophobicContact CG2-CG 3.46Å; V195-P235 VanDerWaalsContact CG2-CG 3.46Å
196T96.2Very high88.4Confident95 Ų9555.8 Ų55.858%0.58330%0.298SS*.EExtended strand (participates in β ladder)trans-93.8109.3172.3-58.10000108.3E230T196-E230 HydrophobicContact CG2-CB 3.91Å
197E95.8Very high89.2Confident36 Ų3654.8 Ų54.817%0.16829%0.293CS..EExtended strand (participates in β ladder)trans-153.2172.217567.9178.217500111.5V195 I199 K201 L231 H233 P235V195-E197 HydrophobicContact CG2-CG 4.08Å; E197-I199 PolarHBondContact O-N 2.98Å; E197-K201 HydrophobicContact CB-CD 4.37Å; E197-K201 HydrophobicContact CG-CD 4.35Å; E197-K201 WeakPolarHBondContact OE2-CD 3.41Å; E197-K201 IonicContact OE2-NZ 2.89Å; E197-K201 PolarHBondContact OE2-NZ 3.15Å; E197-L231 PolarHBondContact N-O 3.49Å; E197-L231 PolarHBondContact O-N 2.99Å; E197-H233 PolarHBondContact O-CE1 3.12Å; E197-P235 WeakPolarHBondContact OE1-CG 3.42Å
198S96.7Very high90.2Very high25 Ų2557.8 Ų57.818%0.17531%0.309CS..  trans-66.1129.8174.1171.30000111.5H200 K201S198-H200 PolarHBondContact O-N 3.35Å; S198-H200 WeakPolarHBondContact OG-CB 3.37Å; S198-H200 PolarHBondContact OG-N 3.07Å; S198-H200 VanDerWaalsContact OG-N 3.12Å; S198-H200 PolarHBondContact OG-ND1 3.09Å; S198-K201 WeakPolarHBondContact O-CB 3.48Å; S198-K201 PolarHBondContact O-N 3.14Å; S198-K201 VanDerWaalsContact O-N 3.14Å
199I97.3Very high91.3Very high1 Ų159.1 Ų59.11%0.00531%0.313CS..Hα-helixtrans-60.4-24.1173.4-155.663.5000112.5E197 K201 V202 A203 L228 L231 I238 T264 I283 L345E197-I199 PolarHBondContact O-N 2.98Å; I199-K201 PolarHBondContact O-N 3.31Å; I199-V202 WeakPolarHBondContact O-CB 3.49Å; I199-V202 PolarHBondContact O-N 3.13Å; I199-V202 VanDerWaalsContact O-N 3.1Å; I199-A203 PolarHBondContact O-N 2.88Å; I199-L228 HydrophobicContact CG2-CD2 3.44Å; I199-L228 VanDerWaalsContact CG2-CD2 3.44Å; I199-L231 HydrophobicContact CB-CD2 4.08Å; I199-I238 HydrophobicContact CD1-CG2 3.86Å; I199-T264 HydrophobicContact CG2-CG2 4.28Å; I199-I283 HydrophobicContact CG1-CD1 4Å; I199-I283 HydrophobicContact CG1-CG1 4Å; I199-I283 HydrophobicContact CG2-CG1 4.47Å; I199-L345 HydrophobicContact CD1-CD1 3.94Å
200H98.1Very high92.6Very high31 Ų3154.9 Ų54.914%0.14429%0.294CS..Hα-helixtrans-64.7-27.3178.9-54.5133.7000111.8S198 V202 A203 E204 Y224 D225 T264S198-H200 PolarHBondContact O-N 3.35Å; S198-H200 WeakPolarHBondContact OG-CB 3.37Å; S198-H200 PolarHBondContact OG-N 3.07Å; S198-H200 VanDerWaalsContact OG-N 3.12Å; S198-H200 PolarHBondContact OG-ND1 3.09Å; H200-V202 VanDerWaalsContact C-N 3.33Å; H200-V202 PolarHBondContact O-N 2.88Å; H200-A203 PolarHBondContact O-N 3.43Å; H200-E204 WeakPolarHBondContact O-CB 3.43Å; H200-E204 WeakPolarHBondContact O-CG 3.43Å; H200-E204 PolarHBondContact O-N 3.41Å; H200-Y224 HydrophobicContact CB-CD2 4.34Å; H200-Y224 AromaticContact CD2-CD2 3.99Å; H200-Y224 AromaticContact CD2-CG 3.78Å; H200-D225 PolarHBondContact CE1-O 3Å; H200-D225 PolarHBondContact NE2-O 2.91Å; H200-T264 PolarHBondContact CD2-OG1 3.41Å; H200-T264 PolarHBondContact NE2-OG1 3.28Å
201K97.2Very high93.7Very high114 Ų11451 Ų5150%0.49628%0.278SS..Hα-helixtrans-62.1-42.7172.8-68.1179.5-179.5179.60111.5E197 S198 I199 R205E197-K201 HydrophobicContact CB-CD 4.37Å; E197-K201 HydrophobicContact CG-CD 4.35Å; E197-K201 WeakPolarHBondContact OE2-CD 3.41Å; E197-K201 IonicContact OE2-NZ 2.89Å; E197-K201 PolarHBondContact OE2-NZ 3.15Å; S198-K201 WeakPolarHBondContact O-CB 3.48Å; S198-K201 PolarHBondContact O-N 3.14Å; S198-K201 VanDerWaalsContact O-N 3.14Å; I199-K201 PolarHBondContact O-N 3.31Å; K201-R205 WeakPolarHBondContact O-CG 3.41Å; K201-R205 PolarHBondContact O-N 3.23Å; K201-R205 VanDerWaalsContact O-N 3.1Å
202V97.3Very high94.8Very high0 Ų054.1 Ų54.10%029%0.287CS..Hα-helixtrans-67.1-45.3175.8-178.50000110.2I199 H200 E204 R205 V206 H233 P235 I238 E239 L242I199-V202 WeakPolarHBondContact O-CB 3.49Å; I199-V202 PolarHBondContact O-N 3.13Å; I199-V202 VanDerWaalsContact O-N 3.1Å; H200-V202 VanDerWaalsContact C-N 3.33Å; H200-V202 PolarHBondContact O-N 2.88Å; V202-E204 VanDerWaalsContact C-N 3.31Å; V202-E204 PolarHBondContact O-N 2.93Å; V202-R205 PolarHBondContact O-N 2.9Å; V202-V206 VanDerWaalsContact O-CG2 3.31Å; V202-V206 WeakPolarHBondContact O-CG2 3.38Å; V202-V206 PolarHBondContact O-N 3.29Å; V202-H233 WeakPolarHBondContact CG2-NE2 3.31Å; V202-P235 HydrophobicContact CG2-CB 3.87Å; V202-I238 HydrophobicContact CG1-CB 4.11Å; V202-I238 HydrophobicContact CG1-CG2 3.9Å; V202-E239 HydrophobicContact CG1-CB 3.92Å; V202-L242 HydrophobicContact CG1-CD1 4.33Å
203A97.8Very high95.3Very high1 Ų158.7 Ų58.71%0.00830%0.301CS..Hα-helixtrans-57-42.2176.400000112.3I199 H200 V206 V207 Y224 L262I199-A203 PolarHBondContact O-N 2.88Å; H200-A203 PolarHBondContact O-N 3.43Å; A203-V206 WeakPolarHBondContact O-CB 3.27Å; A203-V206 PolarHBondContact O-N 3.11Å; A203-V207 VanDerWaalsContact O-CG2 3.3Å; A203-V207 WeakPolarHBondContact O-CG2 2.99Å; A203-V207 PolarHBondContact O-N 2.85Å; A203-Y224 HydrophobicContact CB-CE1 4.2Å; A203-Y224 HydrophobicContact CB-CE2 4.4Å; A203-L262 HydrophobicContact CB-CD2 3.84Å
204E97.7Very high95.5Very high62 Ų6255.3 Ų55.329%0.2928%0.278SS..Hα-helixtrans-69.3-36.1177.6-77.8-65.815100113.2H200 V202 V206 V207 T208 R222 Y224H200-E204 WeakPolarHBondContact O-CB 3.43Å; H200-E204 WeakPolarHBondContact O-CG 3.43Å; H200-E204 PolarHBondContact O-N 3.41Å; V202-E204 VanDerWaalsContact C-N 3.31Å; V202-E204 PolarHBondContact O-N 2.93Å; E204-V206 VanDerWaalsContact C-N 3.34Å; E204-V207 PolarHBondContact O-N 3.41Å; E204-T208 WeakPolarHBondContact O-CB 3.47Å; E204-T208 PolarHBondContact O-N 2.73Å; E204-T208 PolarHBondContact O-OG1 3.31Å; E204-R222 WeakPolarHBondContact OE1-CD 3.37Å; E204-R222 IonicContact OE1-CZ 2.57Å; E204-R222 IonicContact OE1-NH1 3.11Å; E204-R222 PolarHBondContact OE1-NH1 2.93Å; E204-R222 IonicContact OE2-CZ 3.88Å; E204-R222 IonicContact OE2-NH1 3.24Å; E204-R222 PolarHBondContact OE2-NH1 2.86Å; E204-Y224 HydrophobicContact CG-CE2 4.2Å; E204-Y224 VanDerWaalsContact OE1-CE2 3.32Å; E204-Y224 WeakPolarHBondContact OE1-CE2 3.34Å
205R96.8Very high95.6Very high100 Ų10052.9 Ų52.938%0.37728%0.276SS..Hα-helixtrans-60.4-45.7170.3-71.6172.455.7175-7110.7K201 V202 V207 T208 L209 D236 E239K201-R205 WeakPolarHBondContact O-CG 3.41Å; K201-R205 PolarHBondContact O-N 3.23Å; K201-R205 VanDerWaalsContact O-N 3.1Å; V202-R205 PolarHBondContact O-N 2.9Å; R205-V207 PolarHBondContact O-N 2.71Å; R205-T208 WeakPolarHBondContact O-CB 3.27Å; R205-T208 PolarHBondContact O-N 2.93Å; R205-L209 WeakPolarHBondContact O-CG 3.35Å; R205-L209 PolarHBondContact O-N 3.11Å; R205-D236 IonicContact CZ-OD1 2.79Å; R205-D236 IonicContact NH1-OD1 3.32Å; R205-D236 PolarHBondContact NH1-OD1 3.45Å; R205-D236 VanDerWaalsContact NH1-OD1 3.14Å; R205-D236 IonicContact NH2-OD1 3.55Å; R205-D236 PolarHBondContact NH2-OD1 3.44Å; R205-E239 WeakPolarHBondContact CB-OE2 3.33Å; R205-E239 IonicContact CZ-OE1 2.97Å; R205-E239 IonicContact CZ-OE2 3.33Å; R205-E239 IonicContact NE-OE2 2.96Å; R205-E239 PolarHBondContact NE-OE2 3.42Å; R205-E239 IonicContact NH2-OE1 2.92Å; R205-E239 PolarHBondContact NH2-OE1 3.25Å; R205-E239 IonicContact NH2-OE2 2.95Å; R205-E239 PolarHBondContact NH2-OE2 3.25Å
206V97.1Very high95.6Very high1 Ų158.4 Ų58.41%0.00630%0.304CS..Hα-helixtrans-60.1-48176.8174.60000110.9V202 A203 E204 T208 L209 V210 E239 L242 L243 V246V202-V206 VanDerWaalsContact O-CG2 3.31Å; V202-V206 WeakPolarHBondContact O-CG2 3.38Å; V202-V206 PolarHBondContact O-N 3.29Å; A203-V206 WeakPolarHBondContact O-CB 3.27Å; A203-V206 PolarHBondContact O-N 3.11Å; E204-V206 VanDerWaalsContact C-N 3.34Å; V206-T208 VanDerWaalsContact C-N 3.3Å; V206-T208 PolarHBondContact O-N 2.72Å; V206-L209 PolarHBondContact O-N 2.57Å; V206-V210 HydrophobicContact CG1-CG2 4.15Å; V206-V210 WeakPolarHBondContact O-CB 3.39Å; V206-V210 VanDerWaalsContact O-CG2 3.26Å; V206-V210 WeakPolarHBondContact O-CG2 3.4Å; V206-V210 PolarHBondContact O-N 3.42Å; V206-E239 HydrophobicContact CG2-CB 4.42Å; V206-E239 HydrophobicContact CG2-CG 3.93Å; V206-L242 HydrophobicContact CB-CB 4.47Å; V206-L242 HydrophobicContact CG1-CB 4.15Å; V206-L242 HydrophobicContact CG2-CB 3.71Å; V206-L242 HydrophobicContact CG2-CD1 4.17Å; V206-L243 HydrophobicContact CG1-CD2 4.09Å; V206-L243 HydrophobicContact CG1-CG 4.35Å; V206-L243 HydrophobicContact CG2-CG 4.37Å; V206-V246 HydrophobicContact CG1-CG2 4.26Å
207V97Very high95.5Very high1 Ų157.1 Ų57.11%0.00629%0.293CS..Hα-helixtrans-59.7-42.6177.6171.10000111.1A203 E204 R205 L209 V210 S211 L220 R222 L262A203-V207 VanDerWaalsContact O-CG2 3.3Å; A203-V207 WeakPolarHBondContact O-CG2 2.99Å; A203-V207 PolarHBondContact O-N 2.85Å; E204-V207 PolarHBondContact O-N 3.41Å; R205-V207 PolarHBondContact O-N 2.71Å; V207-L209 PolarHBondContact O-N 3.1Å; V207-V210 PolarHBondContact O-N 2.9Å; V207-S211 VanDerWaalsContact O-CB 3.25Å; V207-S211 WeakPolarHBondContact O-CB 3.41Å; V207-S211 PolarHBondContact O-N 3.35Å; V207-S211 PolarHBondContact O-OG 2.8Å; V207-L220 HydrophobicContact CB-CD2 4.26Å; V207-L220 HydrophobicContact CG1-CD2 3.81Å; V207-L220 HydrophobicContact CG2-CD2 4.17Å; V207-R222 VanDerWaalsContact CG1-CZ 3.46Å; V207-R222 HydrophobicContact CG2-CG 4.41Å; V207-L262 HydrophobicContact CG2-CD2 3.81Å
208T96.3Very high95.6Very high75 Ų7555.8 Ų55.846%0.4629%0.288SS..Hα-helixtrans-60.3-47.1178.5-59.50000111.5E204 R205 V206 M212E204-T208 WeakPolarHBondContact O-CB 3.47Å; E204-T208 PolarHBondContact O-N 2.73Å; E204-T208 PolarHBondContact O-OG1 3.31Å; R205-T208 WeakPolarHBondContact O-CB 3.27Å; R205-T208 PolarHBondContact O-N 2.93Å; V206-T208 VanDerWaalsContact C-N 3.3Å; V206-T208 PolarHBondContact O-N 2.72Å; T208-M212 HydrophobicContact CG2-CE 4.13Å
209L95.3Very high95.6Very high71 Ų7162.3 Ų62.337%0.37231%0.309SS..Hα-helixtrans-65.6-46.3179-69.4171.5000111.9R205 V206 V207 S211 M212 L243R205-L209 WeakPolarHBondContact O-CG 3.35Å; R205-L209 PolarHBondContact O-N 3.11Å; V206-L209 PolarHBondContact O-N 2.57Å; V207-L209 PolarHBondContact O-N 3.1Å; L209-S211 VanDerWaalsContact C-N 3.34Å; L209-S211 PolarHBondContact O-N 3.3Å; L209-M212 WeakPolarHBondContact O-CB 3.3Å; L209-M212 PolarHBondContact O-N 3.21Å; L209-L243 HydrophobicContact CB-CD2 4.24Å; L209-L243 HydrophobicContact CD1-CD1 4.01Å; L209-L243 HydrophobicContact CD1-CD2 4.37Å
210V94.2Very high95.6Very high4 Ų463.8 Ų63.82%0.02432%0.316CS..Hα-helixtrans-66.6-37-178.6171.80000111.5V206 V207 M212 E213 L214 L220 L243 V246 L250V206-V210 HydrophobicContact CG1-CG2 4.15Å; V206-V210 WeakPolarHBondContact O-CB 3.39Å; V206-V210 VanDerWaalsContact O-CG2 3.26Å; V206-V210 WeakPolarHBondContact O-CG2 3.4Å; V206-V210 PolarHBondContact O-N 3.42Å; V207-V210 PolarHBondContact O-N 2.9Å; V210-M212 PolarHBondContact O-N 3.5Å; V210-M212 VanDerWaalsContact O-N 3.13Å; V210-E213 CarbonylContact O-C 3.57Å; V210-E213 PolarHBondContact O-N 2.79Å; V210-L214 HydrophobicContact CG1-CD1 4.39Å; V210-L214 PolarHBondContact O-N 2.9Å; V210-L220 HydrophobicContact CB-CD2 4.35Å; V210-L220 HydrophobicContact CG1-CD2 4.06Å; V210-L243 HydrophobicContact CG2-CD2 3.84Å; V210-V246 HydrophobicContact CB-CG1 4.34Å; V210-V246 HydrophobicContact CG1-CG1 3.8Å; V210-V246 HydrophobicContact CG2-CB 4.38Å; V210-V246 HydrophobicContact CG2-CG1 3.73Å; V210-L250 HydrophobicContact CG1-CD1 3.88Å
211S93.6Very high95.6Very high57 Ų5765.4 Ų65.440%0.39933%0.325SS..Hα-helixtrans-61.5-21.8179.3-60.10000113.2V207 L209 E213V207-S211 VanDerWaalsContact O-CB 3.25Å; V207-S211 WeakPolarHBondContact O-CB 3.41Å; V207-S211 PolarHBondContact O-N 3.35Å; V207-S211 PolarHBondContact O-OG 2.8Å; L209-S211 VanDerWaalsContact C-N 3.34Å; L209-S211 PolarHBondContact O-N 3.3Å; S211-E213 VanDerWaalsContact C-N 3.34Å
212M92.3Very high95.6Very high147 Ų14766 Ų6672%0.72432%0.324SS*.THydrogen-bonded Turntrans-75.5-23.3176.2-61.3178.6-176.200113.1T208 L209 V210T208-M212 HydrophobicContact CG2-CE 4.13Å; L209-M212 WeakPolarHBondContact O-CB 3.3Å; L209-M212 PolarHBondContact O-N 3.21Å; V210-M212 PolarHBondContact O-N 3.5Å; V210-M212 VanDerWaalsContact O-N 3.13Å
213E89.4Confident95.6Very high127 Ų12768.3 Ų68.359%0.59334%0.337SS*.SBendtrans-113.45.8-177.1-61.5178.4169.200111.6V210 S211 P215 R247V210-E213 CarbonylContact O-C 3.57Å; V210-E213 PolarHBondContact O-N 2.79Å; S211-E213 VanDerWaalsContact C-N 3.34Å; E213-P215 WeakPolarHBondContact O-CD 3.43Å; E213-R247 IonicContact OE2-NH2 3.6Å
214L92.7Very high95.6Very high44 Ų4470.6 Ų70.623%0.2335%0.345CS..  trans-73.7121.8-172.6-167.668.4000110.8V210 V218 L220 L250V210-L214 HydrophobicContact CG1-CD1 4.39Å; V210-L214 PolarHBondContact O-N 2.9Å; L214-V218 HydrophobicContact CD1-CB 3.9Å; L214-V218 HydrophobicContact CD1-CG1 3.71Å; L214-V218 WeakPolarHBondContact CD2-O 3.45Å; L214-V218 HydrophobicContact CG-CB 4.33Å; L214-L220 HydrophobicContact CD2-CB 3.98Å; L214-L250 HydrophobicContact CD1-CD2 3.58Å
215P94.1Very high95.6Very high56 Ų5669 Ų6936%0.36434%0.339SS..  trans-62.7146.7172.6-23.936.3000112.2E213 N217 V218E213-P215 WeakPolarHBondContact O-CD 3.43Å; P215-N217 WeakPolarHBondContact CB-OD1 3.39Å; P215-N217 PolarHBondContact O-N 2.86Å; P215-N217 VanDerWaalsContact O-N 3.08Å; P215-V218 HydrophobicContact CB-CG2 4.17Å; P215-V218 HydrophobicContact CG-CG2 4.28Å; P215-V218 PolarHBondContact O-N 3.29Å
216D94.3Very high95.5Very high178 Ų17870.1 Ų70.195%0.95236%0.359SS*.THydrogen-bonded Turntrans-59.2-24.5-178.3-68.4-29.4000113.9
217N95.3Very high95.4Very high69 Ų6974.2 Ų74.237%0.36939%0.388SS..THydrogen-bonded Turntrans-894.3178.465-30.8000113.7P215 P255 G257 G258P215-N217 WeakPolarHBondContact CB-OD1 3.39Å; P215-N217 PolarHBondContact O-N 2.86Å; P215-N217 VanDerWaalsContact O-N 3.08Å; N217-P255 PolarHBondContact ND2-O 2.95Å; N217-G257 WeakPolarHBondContact ND2-CA 3.38Å; N217-G257 PolarHBondContact ND2-N 3.15Å; N217-G257 VanDerWaalsContact ND2-N 3.15Å; N217-G257 WeakPolarHBondContact O-CA 3.42Å; N217-G258 PolarHBondContact O-N 3.36Å
218V97.2Very high95.3Very high8 Ų874.8 Ų74.85%0.04839%0.391CS..EExtended strand (participates in β ladder)trans-113.9130.7176.6-177.60000110.5L214 P215 L250 L253 G258 I260L214-V218 HydrophobicContact CD1-CB 3.9Å; L214-V218 HydrophobicContact CD1-CG1 3.71Å; L214-V218 WeakPolarHBondContact CD2-O 3.45Å; L214-V218 HydrophobicContact CG-CB 4.33Å; P215-V218 HydrophobicContact CB-CG2 4.17Å; P215-V218 HydrophobicContact CG-CG2 4.28Å; P215-V218 PolarHBondContact O-N 3.29Å; V218-L250 HydrophobicContact CB-CD2 4.41Å; V218-L250 HydrophobicContact CG1-CD2 3.89Å; V218-L250 HydrophobicContact CG2-CD2 4.41Å; V218-L253 HydrophobicContact CG1-CD1 3.67Å; V218-L253 HydrophobicContact CG2-CD1 4.06Å; V218-G258 CarbonylContact C-O 3.56Å; V218-G258 WeakPolarHBondContact CA-O 3.29Å; V218-I260 HydrophobicContact CG1-CD1 4.22Å; V218-I260 HydrophobicContact CG1-CG1 4.21Å
219R96.7Very high95.2Very high162 Ų16273.4 Ų73.461%0.61138%0.383SS*.EExtended strand (participates in β ladder)trans-101.8127.6172.7-60.9-166.3-73.5-158.8-7.9110.7G258 E259 I260R219-G258 PolarHBondContact N-O 2.95Å; R219-E259 HydrophobicContact CB-CG 4.35Å; R219-E259 IonicContact CZ-OE1 3.12Å; R219-E259 IonicContact NE-OE1 3.14Å; R219-E259 PolarHBondContact NE-OE1 3.46Å; R219-E259 VanDerWaalsContact NE-OE1 3.11Å; R219-E259 IonicContact NH2-OE1 2.67Å; R219-E259 PolarHBondContact NH2-OE1 3.31Å; R219-E259 WeakPolarHBondContact O-CA 3.3Å; R219-I260 PolarHBondContact O-N 2.8Å
220L97.3Very high95.2Very high32 Ų3275.5 Ų75.517%0.16839%0.391CS..EExtended strand (participates in β ladder)trans-101.3111.2172.4-177.859.1000109.9V207 V210 L214 I260V207-L220 HydrophobicContact CB-CD2 4.26Å; V207-L220 HydrophobicContact CG1-CD2 3.81Å; V207-L220 HydrophobicContact CG2-CD2 4.17Å; V210-L220 HydrophobicContact CB-CD2 4.35Å; V210-L220 HydrophobicContact CG1-CD2 4.06Å; L214-L220 HydrophobicContact CD2-CB 3.98Å; L220-I260 CarbonylContact C-O 3.58Å; L220-I260 WeakPolarHBondContact CA-O 3.47Å; L220-I260 HydrophobicContact CD1-CB 4.01Å; L220-I260 HydrophobicContact CD1-CG2 3.95Å
221I97.6Very high95.3Very high64 Ų6475.5 Ų75.533%0.32839%0.391SS..EExtended strand (participates in β ladder)trans-103.1141-177.2-61.4163.3000109.6E259 I260 I261 L262I221-E259 HydrophobicContact CD1-CB 4.42Å; I221-E259 HydrophobicContact CD1-CG 4.46Å; I221-I260 PolarHBondContact N-O 3.35Å; I221-I261 HydrophobicContact CB-CG1 4.18Å; I221-I261 HydrophobicContact CB-CG2 4.34Å; I221-I261 HydrophobicContact CD1-CG1 4.22Å; I221-I261 HydrophobicContact CG2-CG2 4.2Å; I221-I261 WeakPolarHBondContact O-CA 3.41Å; I221-L262 PolarHBondContact O-N 3.48Å
222R97.8Very high95.4Very high126 Ų12675.3 Ų75.348%0.47539%0.392SS..EExtended strand (participates in β ladder)trans-113.4124179.2-49.6174.4-158-165.2-4.9108.8E204 V207 Y224E204-R222 WeakPolarHBondContact OE1-CD 3.37Å; E204-R222 IonicContact OE1-CZ 2.57Å; E204-R222 IonicContact OE1-NH1 3.11Å; E204-R222 PolarHBondContact OE1-NH1 2.93Å; E204-R222 IonicContact OE2-CZ 3.88Å; E204-R222 IonicContact OE2-NH1 3.24Å; E204-R222 PolarHBondContact OE2-NH1 2.86Å; V207-R222 VanDerWaalsContact CG1-CZ 3.46Å; V207-R222 HydrophobicContact CG2-CG 4.41Å; R222-Y224 HydrophobicContact CB-CE1 4.25Å; R222-Y224 HydrophobicContact CB-CE2 4.38Å
223D97.9Very high95.5Very high50 Ų5068.3 Ų68.327%0.26736%0.358SS..EExtended strand (participates in β ladder)trans-132.978-179.2176.83.8000109.7I261 L262 R263 T264 R265D223-I261 HydrophobicContact CB-CG2 4.12Å; D223-L262 PolarHBondContact N-O 3.05Å; D223-R263 HydrophobicContact CB-CB 4.18Å; D223-R263 HydrophobicContact CB-CG 4.1Å; D223-R263 CarbonylContact O-C 3.47Å; D223-R263 WeakPolarHBondContact O-CA 3.35Å; D223-R263 WeakPolarHBondContact O-CG 3.42Å; D223-R263 IonicContact OD2-CZ 2.74Å; D223-R263 IonicContact OD2-NE 3.9Å; D223-R263 PolarHBondContact OD2-NE 3.45Å; D223-T264 PolarHBondContact O-N 2.91Å; D223-R265 PolarHBondContact O-NH1 3.02Å; D223-R265 VanDerWaalsContact O-NH1 3.15Å; D223-R265 IonicContact OD1-CZ 3.17Å; D223-R265 IonicContact OD1-NH1 2.69Å; D223-R265 PolarHBondContact OD1-NH1 3.14Å; D223-R265 IonicContact OD1-NH2 2.74Å; D223-R265 PolarHBondContact OD1-NH2 2.67Å; D223-R265 IonicContact OD2-CZ 2.74Å; D223-R265 IonicContact OD2-NH1 3.74Å; D223-R265 IonicContact OD2-NH2 2.76Å; D223-R265 PolarHBondContact OD2-NH2 3.36Å
224Y98Very high95.8Very high48 Ų4862.9 Ų62.919%0.18833%0.333CS..  trans-96.3135-173.5-58.9-18.8000112.6H200 A203 E204 R222 P226 L262 T264H200-Y224 HydrophobicContact CB-CD2 4.34Å; H200-Y224 AromaticContact CD2-CD2 3.99Å; H200-Y224 AromaticContact CD2-CG 3.78Å; A203-Y224 HydrophobicContact CB-CE1 4.2Å; A203-Y224 HydrophobicContact CB-CE2 4.4Å; E204-Y224 HydrophobicContact CG-CE2 4.2Å; E204-Y224 VanDerWaalsContact OE1-CE2 3.32Å; E204-Y224 WeakPolarHBondContact OE1-CE2 3.34Å; R222-Y224 HydrophobicContact CB-CE1 4.25Å; R222-Y224 HydrophobicContact CB-CE2 4.38Å; Y224-P226 VanDerWaalsContact O-CD 3.22Å; Y224-P226 WeakPolarHBondContact O-CD 3.23Å; Y224-L262 HydrophobicContact CE1-CB 4.38Å; Y224-L262 HydrophobicContact CE1-CD2 4.3Å; Y224-L262 HydrophobicContact CE1-CG 4.03Å; Y224-L262 VanDerWaalsContact CE1-O 3.29Å; Y224-L262 WeakPolarHBondContact CE1-O 3.46Å; Y224-T264 VanDerWaalsContact CA-OG1 3.27Å; Y224-T264 WeakPolarHBondContact CA-OG1 3.39Å; Y224-T264 HydrophobicContact CD1-CG2 4.1Å
225D96.9Very high96Very high30 Ų3061.5 Ų61.516%0.1633%0.327CS..  trans-80107.1169.3177-0.9000109.5H200 S227 L228 T264 T266H200-D225 PolarHBondContact CE1-O 3Å; H200-D225 PolarHBondContact NE2-O 2.91Å; D225-S227 VanDerWaalsContact CG-OG 3.31Å; D225-S227 PolarHBondContact O-N 3Å; D225-S227 VanDerWaalsContact O-N 3.15Å; D225-S227 WeakPolarHBondContact OD1-CB 3.38Å; D225-S227 PolarHBondContact OD1-N 2.88Å; D225-S227 PolarHBondContact OD1-OG 3.02Å; D225-S227 PolarHBondContact OD2-OG 2.85Å; D225-L228 WeakPolarHBondContact O-CB 3.37Å; D225-L228 PolarHBondContact O-N 3.33Å; D225-T264 WeakPolarHBondContact CB-O 3.26Å; D225-T264 PolarHBondContact N-O 2.98Å; D225-T264 PolarHBondContact N-OG1 2.96Å; D225-T266 PolarHBondContact OD2-N 2.99Å
226P95.2Very high95.9Very high123 Ų12363.4 Ų63.480%0.79933%0.334SS*.THydrogen-bonded Turntrans-69.3-10.8-177.130.8-36.5000113.2Y224 L228Y224-P226 VanDerWaalsContact O-CD 3.22Å; Y224-P226 WeakPolarHBondContact O-CD 3.23Å; P226-L228 VanDerWaalsContact C-N 3.35Å
227S94Very high95.9Very high86 Ų8655.7 Ų55.760%0.60129%0.292SS*.THydrogen-bonded Turntrans-86.3-7.3179.276.20000113.7D225 P229D225-S227 VanDerWaalsContact CG-OG 3.31Å; D225-S227 PolarHBondContact O-N 3Å; D225-S227 VanDerWaalsContact O-N 3.15Å; D225-S227 WeakPolarHBondContact OD1-CB 3.38Å; D225-S227 PolarHBondContact OD1-N 2.88Å; D225-S227 PolarHBondContact OD1-OG 3.02Å; D225-S227 PolarHBondContact OD2-OG 2.85Å; S227-P229 WeakPolarHBondContact O-CD 3.35Å
228L94.8Very high96Very high13 Ų1352.4 Ų52.47%0.06828%0.275CS..PPolyproline II helixtrans-64.2119.7-178.2-169.173.3000110.5I199 D225 P226 T266 A281 I347I199-L228 HydrophobicContact CG2-CD2 3.44Å; I199-L228 VanDerWaalsContact CG2-CD2 3.44Å; D225-L228 WeakPolarHBondContact O-CB 3.37Å; D225-L228 PolarHBondContact O-N 3.33Å; P226-L228 VanDerWaalsContact C-N 3.35Å; L228-T266 WeakPolarHBondContact CD1-OG1 3.48Å; L228-A281 HydrophobicContact CD1-CB 3.99Å; L228-A281 HydrophobicContact CD2-CB 4.02Å; L228-A281 HydrophobicContact CG-CB 4.43Å; L228-I347 HydrophobicContact CD1-CD1 4.05Å
229P94.2Very high96Very high47 Ų4753.4 Ų53.431%0.30528%0.279SS..PPolyproline II helixtrans-73159.2-177.830.5-35.1000111.7S227 I347S227-P229 WeakPolarHBondContact O-CD 3.35Å; P229-I347 HydrophobicContact CB-CG2 4.43Å; P229-I347 HydrophobicContact CG-CD1 3.74Å; P229-I347 HydrophobicContact CG-CG2 3.71Å
230E95.7Very high95.9Very high114 Ų11449 Ų4953%0.53327%0.265SS..PPolyproline II helixtrans-60.7145.5171.8-56.7-172.4147.400111.3T196T196-E230 HydrophobicContact CG2-CB 3.91Å
231L96.2Very high95.8Very high5 Ų547.5 Ų47.53%0.02626%0.257CS..EExtended strand (participates in β ladder)trans-137.115517963.9141.2000111.7E197 I199 H233 A281 L345 I347E197-L231 PolarHBondContact N-O 3.49Å; E197-L231 PolarHBondContact O-N 2.99Å; I199-L231 HydrophobicContact CB-CD2 4.08Å; L231-H233 PolarHBondContact O-N 3.22Å; L231-H233 PolarHBondContact O-ND1 3.01Å; L231-A281 HydrophobicContact CD1-CB 4.47Å; L231-A281 HydrophobicContact CD2-CB 4.01Å; L231-L345 HydrophobicContact CD1-CB 3.53Å; L231-L345 HydrophobicContact CD1-CD1 3.86Å; L231-L345 HydrophobicContact CD1-CG 4.34Å; L231-I347 HydrophobicContact CB-CG1 4.17Å; L231-I347 HydrophobicContact CB-CG2 4.42Å
232A95.8Very high95.8Very high52 Ų5244.5 Ų44.543%0.4324%0.242SC..EExtended strand (participates in β ladder)trans-78.8113.9177.900000110.9V195V195-A232 WeakPolarHBondContact O-CA 3.44Å
233H95.3Very high95.7Very high0 Ų039.5 Ų39.50%022%0.224CC..EExtended strand (participates in β ladder)trans-151.1162.8-179.864.1-74.8000111.1R194 V195 E197 V202 L231 P235 I238R194-H233 CarbonylContact C-O 3.5Å; R194-H233 VanDerWaalsContact CA-O 3.24Å; R194-H233 WeakPolarHBondContact CA-O 3.24Å; V195-H233 PolarHBondContact N-O 3.06Å; V195-H233 PolarHBondContact O-N 3.46Å; E197-H233 PolarHBondContact O-CE1 3.12Å; V202-H233 WeakPolarHBondContact CG2-NE2 3.31Å; L231-H233 PolarHBondContact O-N 3.22Å; L231-H233 PolarHBondContact O-ND1 3.01Å; H233-P235 WeakPolarHBondContact O-CD 3.31Å; H233-I238 HydrophobicContact CB-CG1 4.08Å
234D95.5Very high95.6Very high14 Ų1438.2 Ų38.28%0.07522%0.218CC..  trans-88112.1167.2-178.1-45.2000109.1G192 T193 D236 Q237 I238 H326G192-D234 WeakPolarHBondContact CA-OD2 3.13Å; T193-D234 PolarHBondContact N-OD2 3.04Å; T193-D234 VanDerWaalsContact N-OD2 3.1Å; D234-D236 VanDerWaalsContact C-N 3.31Å; D234-D236 PolarHBondContact O-N 3.04Å; D234-D236 PolarHBondContact OD1-N 2.86Å; D234-Q237 HydrophobicContact CB-CB 3.98Å; D234-Q237 HydrophobicContact CB-CG 4.03Å; D234-Q237 PolarHBondContact O-N 3.4Å; D234-Q237 PolarHBondContact OD1-N 3.29Å; D234-I238 WeakPolarHBondContact O-CG1 3.4Å; D234-I238 PolarHBondContact O-N 3.18Å; D234-H326 PolarHBondContact N-NE2 3.43Å
235P95.5Very high95.5Very high15 Ų1536 Ų3610%0.09721%0.209CC..Hα-helixtrans-61.9-36.3-174.1-25.436.6000113.6V195 E197 V202 H233 E239V195-P235 HydrophobicContact CG2-CG 3.46Å; V195-P235 VanDerWaalsContact CG2-CG 3.46Å; E197-P235 WeakPolarHBondContact OE1-CG 3.42Å; V202-P235 HydrophobicContact CG2-CB 3.87Å; H233-P235 WeakPolarHBondContact O-CD 3.31Å; P235-E239 VanDerWaalsContact O-CB 3.26Å; P235-E239 WeakPolarHBondContact O-CB 3.26Å; P235-E239 PolarHBondContact O-N 3.44Å
236D93.9Very high95.5Very high96 Ų9634.6 Ų34.651%0.51320%0.202SC..Hα-helixtrans-76.6-36-176.4-64.9-28.8000110.7R205 D234 Q240R205-D236 IonicContact CZ-OD1 2.79Å; R205-D236 IonicContact NH1-OD1 3.32Å; R205-D236 PolarHBondContact NH1-OD1 3.45Å; R205-D236 VanDerWaalsContact NH1-OD1 3.14Å; R205-D236 IonicContact NH2-OD1 3.55Å; R205-D236 PolarHBondContact NH2-OD1 3.44Å; D234-D236 VanDerWaalsContact C-N 3.31Å; D234-D236 PolarHBondContact O-N 3.04Å; D234-D236 PolarHBondContact OD1-N 2.86Å; D236-Q240 WeakPolarHBondContact O-CB 3.28Å; D236-Q240 PolarHBondContact O-N 3.26Å
237Q94.1Very high95.5Very high15 Ų1533.6 Ų33.67%0.0718%0.182CC..Hα-helixtrans-67.4-43.4173.1-67.6-171.2-5.600111.8L190 D234 Q240 V241 L322 H326L190-Q237 PolarHBondContact O-NE2 3.15Å; D234-Q237 HydrophobicContact CB-CB 3.98Å; D234-Q237 HydrophobicContact CB-CG 4.03Å; D234-Q237 PolarHBondContact O-N 3.4Å; D234-Q237 PolarHBondContact OD1-N 3.29Å; Q237-Q240 PolarHBondContact O-N 3.05Å; Q237-V241 WeakPolarHBondContact O-CG2 3.43Å; Q237-V241 PolarHBondContact O-N 3.35Å; Q237-L322 HydrophobicContact CB-CD1 4.35Å; Q237-L322 HydrophobicContact CB-CD2 4.13Å; Q237-L322 HydrophobicContact CG-CD2 3.94Å; Q237-H326 PolarHBondContact OE1-CE1 3.47Å
238I96.5Very high95.5Very high1 Ų131.4 Ų31.41%0.00516%0.163CC..Hα-helixtrans-68.1-37.3176.6-59.7-53.3000111.3I199 V202 H233 D234 Q240 V241 L242 I323 L345I199-I238 HydrophobicContact CD1-CG2 3.86Å; V202-I238 HydrophobicContact CG1-CB 4.11Å; V202-I238 HydrophobicContact CG1-CG2 3.9Å; H233-I238 HydrophobicContact CB-CG1 4.08Å; D234-I238 WeakPolarHBondContact O-CG1 3.4Å; D234-I238 PolarHBondContact O-N 3.18Å; I238-Q240 VanDerWaalsContact C-N 3.29Å; I238-Q240 PolarHBondContact O-N 3.08Å; I238-V241 WeakPolarHBondContact O-CB 3.43Å; I238-V241 PolarHBondContact O-N 2.96Å; I238-L242 HydrophobicContact CG2-CD1 4.2Å; I238-L242 HydrophobicContact CG2-CG 4.3Å; I238-L242 WeakPolarHBondContact O-CG 3.34Å; I238-L242 PolarHBondContact O-N 3.37Å; I238-I323 HydrophobicContact CD1-CD1 3.7Å; I238-L345 HydrophobicContact CD1-CD1 3.88Å; I238-L345 HydrophobicContact CD1-CD2 4.04Å; I238-L345 HydrophobicContact CG1-CD1 4.24Å
239E96.4Very high95.5Very high28 Ų2830.9 Ų30.913%0.13116%0.161CC..Hα-helixtrans-56.3-46171.6179.717588.200110.8V202 R205 V206 P235 V241 L242 L243V202-E239 HydrophobicContact CG1-CB 3.92Å; R205-E239 WeakPolarHBondContact CB-OE2 3.33Å; R205-E239 IonicContact CZ-OE1 2.97Å; R205-E239 IonicContact CZ-OE2 3.33Å; R205-E239 IonicContact NE-OE2 2.96Å; R205-E239 PolarHBondContact NE-OE2 3.42Å; R205-E239 IonicContact NH2-OE1 2.92Å; R205-E239 PolarHBondContact NH2-OE1 3.25Å; R205-E239 IonicContact NH2-OE2 2.95Å; R205-E239 PolarHBondContact NH2-OE2 3.25Å; V206-E239 HydrophobicContact CG2-CB 4.42Å; V206-E239 HydrophobicContact CG2-CG 3.93Å; P235-E239 VanDerWaalsContact O-CB 3.26Å; P235-E239 WeakPolarHBondContact O-CB 3.26Å; P235-E239 PolarHBondContact O-N 3.44Å; E239-V241 PolarHBondContact O-N 2.94Å; E239-L242 PolarHBondContact O-N 3.03Å; E239-L243 HydrophobicContact CG-CD1 3.84Å; E239-L243 HydrophobicContact CG-CG 4.29Å; E239-L243 WeakPolarHBondContact O-CB 3.49Å; E239-L243 WeakPolarHBondContact O-CG 3.46Å; E239-L243 PolarHBondContact O-N 2.97Å
240Q94.6Very high95.5Very high71 Ų7130 Ų3033%0.33215%0.154SC..Hα-helixtrans-62.4-41.1177.7-174.6172.820.800112.6D236 Q237 I238 N244 L322D236-Q240 WeakPolarHBondContact O-CB 3.28Å; D236-Q240 PolarHBondContact O-N 3.26Å; Q237-Q240 PolarHBondContact O-N 3.05Å; I238-Q240 VanDerWaalsContact C-N 3.29Å; I238-Q240 PolarHBondContact O-N 3.08Å; Q240-N244 WeakPolarHBondContact O-CB 3.35Å; Q240-N244 VanDerWaalsContact O-CG 3.26Å; Q240-N244 PolarHBondContact O-N 3.39Å; Q240-N244 PolarHBondContact O-ND2 3.01Å; Q240-L322 HydrophobicContact CB-CD1 4.15Å; Q240-L322 HydrophobicContact CG-CD1 4.18Å
241V96.5Very high95.3Very high0 Ų029.6 Ų29.60%015%0.152CC..Hα-helixtrans-56.8-54.7174.3169.50000110.1Q237 I238 E239 N244 I245 A319 L322 I323 V343Q237-V241 WeakPolarHBondContact O-CG2 3.43Å; Q237-V241 PolarHBondContact O-N 3.35Å; I238-V241 WeakPolarHBondContact O-CB 3.43Å; I238-V241 PolarHBondContact O-N 2.96Å; E239-V241 PolarHBondContact O-N 2.94Å; V241-N244 PolarHBondContact O-N 3.47Å; V241-I245 HydrophobicContact CG1-CD1 3.86Å; V241-I245 WeakPolarHBondContact O-CG1 3.39Å; V241-I245 PolarHBondContact O-N 3.5Å; V241-I245 VanDerWaalsContact O-N 3.15Å; V241-A319 HydrophobicContact CB-CB 4.42Å; V241-A319 HydrophobicContact CG1-CB 4.1Å; V241-A319 HydrophobicContact CG2-CB 4.39Å; V241-L322 HydrophobicContact CG2-CB 3.61Å; V241-L322 HydrophobicContact CG2-CD1 3.99Å; V241-L322 HydrophobicContact CG2-CG 4.44Å; V241-I323 HydrophobicContact CB-CD1 4.42Å; V241-I323 HydrophobicContact CG1-CD1 3.97Å; V241-I323 HydrophobicContact CG1-CG1 3.83Å; V241-I323 HydrophobicContact CG2-CD1 3.92Å; V241-I323 HydrophobicContact CG2-CG1 3.89Å; V241-V343 HydrophobicContact CG1-CG2 4.01Å
242L97.9Very high95.1Very high0 Ų030.3 Ų30.30%016%0.159CC..Hα-helixtrans-66.5-40.1-175.8-65.5-178.7000111.8V202 V206 I238 E239 N244 I245 V246 I283 V285V202-L242 HydrophobicContact CG1-CD1 4.33Å; V206-L242 HydrophobicContact CB-CB 4.47Å; V206-L242 HydrophobicContact CG1-CB 4.15Å; V206-L242 HydrophobicContact CG2-CB 3.71Å; V206-L242 HydrophobicContact CG2-CD1 4.17Å; I238-L242 HydrophobicContact CG2-CD1 4.2Å; I238-L242 HydrophobicContact CG2-CG 4.3Å; I238-L242 WeakPolarHBondContact O-CG 3.34Å; I238-L242 PolarHBondContact O-N 3.37Å; E239-L242 PolarHBondContact O-N 3.03Å; L242-N244 VanDerWaalsContact C-N 3.32Å; L242-N244 PolarHBondContact O-N 3.48Å; L242-I245 PolarHBondContact O-N 2.84Å; L242-V246 WeakPolarHBondContact O-CB 3.27Å; L242-V246 VanDerWaalsContact O-CG2 3.28Å; L242-V246 WeakPolarHBondContact O-CG2 3.39Å; L242-V246 PolarHBondContact O-N 3.27Å; L242-I283 HydrophobicContact CD1-CG2 4.33Å; L242-I283 HydrophobicContact CD2-CG2 3.74Å; L242-V285 HydrophobicContact CD2-CG2 4.47Å
243L95.9Very high95.1Very high21 Ų2128.2 Ų28.211%0.1114%0.14CC..Hα-helixtrans-59.3-42173.9-79171.9000112.2V206 L209 V210 E239 I245 R247V206-L243 HydrophobicContact CG1-CD2 4.09Å; V206-L243 HydrophobicContact CG1-CG 4.35Å; V206-L243 HydrophobicContact CG2-CG 4.37Å; L209-L243 HydrophobicContact CB-CD2 4.24Å; L209-L243 HydrophobicContact CD1-CD1 4.01Å; L209-L243 HydrophobicContact CD1-CD2 4.37Å; V210-L243 HydrophobicContact CG2-CD2 3.84Å; E239-L243 HydrophobicContact CG-CD1 3.84Å; E239-L243 HydrophobicContact CG-CG 4.29Å; E239-L243 WeakPolarHBondContact O-CB 3.49Å; E239-L243 WeakPolarHBondContact O-CG 3.46Å; E239-L243 PolarHBondContact O-N 2.97Å; L243-I245 VanDerWaalsContact C-N 3.34Å; L243-R247 VanDerWaalsContact O-CB 3.22Å; L243-R247 WeakPolarHBondContact O-CB 3.34Å; L243-R247 WeakPolarHBondContact O-CG 3.41Å; L243-R247 PolarHBondContact O-N 3.25Å
244N94.6Very high94.8Very high24 Ų2429.8 Ų29.813%0.12816%0.157CC..Hα-helixtrans-63.4-42.3178-76.2-18.4000111.5Q240 V241 L242 N248 G315 A319Q240-N244 WeakPolarHBondContact O-CB 3.35Å; Q240-N244 VanDerWaalsContact O-CG 3.26Å; Q240-N244 PolarHBondContact O-N 3.39Å; Q240-N244 PolarHBondContact O-ND2 3.01Å; V241-N244 PolarHBondContact O-N 3.47Å; L242-N244 VanDerWaalsContact C-N 3.32Å; L242-N244 PolarHBondContact O-N 3.48Å; N244-N248 PolarHBondContact O-N 2.89Å; N244-N248 PolarHBondContact O-ND2 2.77Å; N244-N248 PolarHBondContact O-OD1 3.23Å; N244-G315 PolarHBondContact ND2-O 3.38Å; N244-A319 HydrophobicContact CB-CB 4.46Å
245I97.1Very high94.6Very high0 Ų035.2 Ų35.20%019%0.192CC..Hα-helixtrans-70.3-47.6-179.8-59.2166.4000110.6V241 L242 L243 R247 N248 A249 V285 L316 I330 F341 V343V241-I245 HydrophobicContact CG1-CD1 3.86Å; V241-I245 WeakPolarHBondContact O-CG1 3.39Å; V241-I245 PolarHBondContact O-N 3.5Å; V241-I245 VanDerWaalsContact O-N 3.15Å; L242-I245 PolarHBondContact O-N 2.84Å; L243-I245 VanDerWaalsContact C-N 3.34Å; I245-R247 VanDerWaalsContact C-N 3.33Å; I245-R247 PolarHBondContact O-N 2.86Å; I245-N248 WeakPolarHBondContact O-CB 3.47Å; I245-N248 PolarHBondContact O-N 3.37Å; I245-N248 VanDerWaalsContact O-N 3.08Å; I245-A249 PolarHBondContact O-N 2.89Å; I245-V285 HydrophobicContact CB-CB 4.49Å; I245-V285 HydrophobicContact CB-CG2 4.19Å; I245-V285 HydrophobicContact CG2-CB 3.54Å; I245-V285 HydrophobicContact CG2-CG1 3.86Å; I245-V285 HydrophobicContact CG2-CG2 3.73Å; I245-L316 HydrophobicContact CG1-CD2 4.17Å; I245-I330 HydrophobicContact CD1-CD1 3.64Å; I245-I330 HydrophobicContact CG1-CD1 4.29Å; I245-F341 HydrophobicContact CD1-CB 4.45Å; I245-F341 HydrophobicContact CG2-CB 3.51Å; I245-F341 HydrophobicContact CG2-CD2 3.82Å; I245-F341 HydrophobicContact CG2-CG 3.74Å; I245-V343 HydrophobicContact CD1-CG2 3.67Å
246V96.6Very high94.4Very high2 Ų243.2 Ų43.21%0.01223%0.228CC..Hα-helixtrans-63.4-37.7179.3175.20000111.8V206 V210 L242 N248 A249 L250 I260 V285V206-V246 HydrophobicContact CG1-CG2 4.26Å; V210-V246 HydrophobicContact CB-CG1 4.34Å; V210-V246 HydrophobicContact CG1-CG1 3.8Å; V210-V246 HydrophobicContact CG2-CB 4.38Å; V210-V246 HydrophobicContact CG2-CG1 3.73Å; L242-V246 WeakPolarHBondContact O-CB 3.27Å; L242-V246 VanDerWaalsContact O-CG2 3.28Å; L242-V246 WeakPolarHBondContact O-CG2 3.39Å; L242-V246 PolarHBondContact O-N 3.27Å; V246-N248 VanDerWaalsContact C-N 3.32Å; V246-N248 PolarHBondContact O-N 3.35Å; V246-A249 WeakPolarHBondContact O-CB 3.17Å; V246-A249 PolarHBondContact O-N 2.96Å; V246-L250 WeakPolarHBondContact O-CG 3.34Å; V246-L250 PolarHBondContact O-N 3.01Å; V246-I260 HydrophobicContact CG1-CD1 4.43Å; V246-V285 HydrophobicContact CG2-CG1 3.8Å; V246-V285 HydrophobicContact CG2-CG2 3.94Å
247R93.7Very high94.4Very high101 Ų10139.1 Ų39.138%0.38121%0.209SC..Hα-helixtrans-64.5-36.1173.6-77.5174.1167.3170.4-3.2112.4E213 L243 I245 L250 Q251E213-R247 IonicContact OE2-NH2 3.6Å; L243-R247 VanDerWaalsContact O-CB 3.22Å; L243-R247 WeakPolarHBondContact O-CB 3.34Å; L243-R247 WeakPolarHBondContact O-CG 3.41Å; L243-R247 PolarHBondContact O-N 3.25Å; I245-R247 VanDerWaalsContact C-N 3.33Å; I245-R247 PolarHBondContact O-N 2.86Å; R247-L250 PolarHBondContact O-N 3.29Å; R247-Q251 WeakPolarHBondContact O-CB 3.28Å; R247-Q251 WeakPolarHBondContact O-CG 3.19Å; R247-Q251 PolarHBondContact O-N 2.92Å
248N94Very high94.5Very high40 Ų4039.4 Ų39.421%0.21422%0.216CC..Hα-helixtrans-65.8-41.5175.2-69.3-19.4000111.8N244 I245 V246 Q251 A252 L316N244-N248 PolarHBondContact O-N 2.89Å; N244-N248 PolarHBondContact O-ND2 2.77Å; N244-N248 PolarHBondContact O-OD1 3.23Å; I245-N248 WeakPolarHBondContact O-CB 3.47Å; I245-N248 PolarHBondContact O-N 3.37Å; I245-N248 VanDerWaalsContact O-N 3.08Å; V246-N248 VanDerWaalsContact C-N 3.32Å; V246-N248 PolarHBondContact O-N 3.35Å; N248-Q251 PolarHBondContact O-N 3.24Å; N248-A252 WeakPolarHBondContact O-CB 3.26Å; N248-A252 PolarHBondContact O-N 2.88Å; N248-L316 VanDerWaalsContact ND2-CD2 3.28Å; N248-L316 WeakPolarHBondContact ND2-CD2 3.42Å; N248-L316 WeakPolarHBondContact ND2-CG 3.44Å
249A95.3Very high94.5Very high3 Ų341.8 Ų41.83%0.02523%0.227CC..Hα-helixtrans-59.4-50.6173.500000111.5I245 V246 Q251 A252 L253 I260 V285 D287I245-A249 PolarHBondContact O-N 2.89Å; V246-A249 WeakPolarHBondContact O-CB 3.17Å; V246-A249 PolarHBondContact O-N 2.96Å; A249-Q251 VanDerWaalsContact C-N 3.3Å; A249-Q251 PolarHBondContact O-N 3.39Å; A249-A252 WeakPolarHBondContact O-CA 3.24Å; A249-A252 WeakPolarHBondContact O-CB 3.45Å; A249-A252 PolarHBondContact O-N 3.47Å; A249-L253 PolarHBondContact O-N 3.01Å; A249-I260 HydrophobicContact CB-CD1 3.78Å; A249-I260 HydrophobicContact CB-CG1 4.13Å; A249-I260 HydrophobicContact CB-CG2 4.42Å; A249-V285 HydrophobicContact CB-CG1 4.35Å; A249-D287 HydrophobicContact CB-CB 3.79Å; A249-D287 WeakPolarHBondContact CB-OD2 3.47Å
250L93.9Very high94.6Very high28 Ų2840.4 Ų40.415%0.14722%0.221CC..Hα-helixtrans-54.5-45.7176.2-77.6172.3000112.8V210 L214 V218 V246 R247 A252 L253 G254 I260V210-L250 HydrophobicContact CG1-CD1 3.88Å; L214-L250 HydrophobicContact CD1-CD2 3.58Å; V218-L250 HydrophobicContact CB-CD2 4.41Å; V218-L250 HydrophobicContact CG1-CD2 3.89Å; V218-L250 HydrophobicContact CG2-CD2 4.41Å; V246-L250 WeakPolarHBondContact O-CG 3.34Å; V246-L250 PolarHBondContact O-N 3.01Å; R247-L250 PolarHBondContact O-N 3.29Å; L250-A252 PolarHBondContact O-N 3.5Å; L250-L253 PolarHBondContact O-N 3.13Å; L250-G254 PolarHBondContact O-N 3.46Å; L250-I260 HydrophobicContact CB-CD1 4.33Å; L250-I260 HydrophobicContact CD2-CD1 3.53Å; L250-I260 HydrophobicContact CG-CD1 3.57Å
251Q91.5Very high94.8Very high105 Ų10538.2 Ų38.249%0.49121%0.211SC..Hα-helixtrans-70.4-22.3178.2-67.61715.700112.7R247 N248 A249 R308R247-Q251 WeakPolarHBondContact O-CB 3.28Å; R247-Q251 WeakPolarHBondContact O-CG 3.19Å; R247-Q251 PolarHBondContact O-N 2.92Å; N248-Q251 PolarHBondContact O-N 3.24Å; A249-Q251 VanDerWaalsContact C-N 3.3Å; A249-Q251 PolarHBondContact O-N 3.39Å; Q251-R308 VanDerWaalsContact C-CZ 3.49Å; Q251-R308 VanDerWaalsContact O-CZ 3.3Å; Q251-R308 PolarHBondContact O-NH2 2.64Å
252A93Very high94.9Very high21 Ų2138.3 Ų38.317%0.17421%0.211CC..Hα-helixtrans-76.2-38.7175.800000112.7N248 A249 L250 G254 P290 R308N248-A252 WeakPolarHBondContact O-CB 3.26Å; N248-A252 PolarHBondContact O-N 2.88Å; A249-A252 WeakPolarHBondContact O-CA 3.24Å; A249-A252 WeakPolarHBondContact O-CB 3.45Å; A249-A252 PolarHBondContact O-N 3.47Å; L250-A252 PolarHBondContact O-N 3.5Å; A252-G254 PolarHBondContact O-N 2.9Å; A252-P290 WeakPolarHBondContact O-CD 3.49Å; A252-R308 VanDerWaalsContact CB-NH2 3.27Å
253L94.5Very high94.9Very high8 Ų840.3 Ų40.34%0.04222%0.219CC..Hα-helixtrans-64.2-30.7173.9-63.1179.4000112.4V218 A249 L250 E256 G257 I260 D287 N288V218-L253 HydrophobicContact CG1-CD1 3.67Å; V218-L253 HydrophobicContact CG2-CD1 4.06Å; A249-L253 PolarHBondContact O-N 3.01Å; L250-L253 PolarHBondContact O-N 3.13Å; L253-E256 PolarHBondContact O-N 3.07Å; L253-G257 PolarHBondContact O-N 3.23Å; L253-I260 HydrophobicContact CD1-CD1 4.09Å; L253-I260 HydrophobicContact CD1-CG1 3.67Å; L253-D287 HydrophobicContact CD2-CB 4.4Å; L253-N288 VanDerWaalsContact CD2-OD1 3.31Å; L253-N288 WeakPolarHBondContact CD2-OD1 3.46Å
254G90.3Very high95Very high33 Ų3339.3 Ų39.334%0.3421%0.214SC..THydrogen-bonded Turntrans55.5-146.4174.100000112.8L250 A252 E256L250-G254 PolarHBondContact O-N 3.46Å; A252-G254 PolarHBondContact O-N 2.9Å; G254-E256 VanDerWaalsContact C-N 3.32Å; G254-E256 PolarHBondContact O-N 3.02Å
255P90.6Very high95.1Very high127 Ų12742.1 Ų42.183%0.82522%0.222SC*.THydrogen-bonded Turntrans-75.4-17.1-178.431.3-35.2000114N217 G257N217-P255 PolarHBondContact ND2-O 2.95Å; P255-G257 VanDerWaalsContact C-N 3.3Å
256E90.8Very high95Very high183 Ų18343.4 Ų43.486%0.85523%0.23SC*.THydrogen-bonded Turntrans-71.3-32.1177.1-63.4-176.1178.700110.8L253 G254L253-E256 PolarHBondContact O-N 3.07Å; G254-E256 VanDerWaalsContact C-N 3.32Å; G254-E256 PolarHBondContact O-N 3.02Å
257G94.2Very high94.8Very high11 Ų1144.1 Ų44.111%0.11324%0.237CC..  trans78.6-163.3-178.300000111.3N217 L253 P255N217-G257 WeakPolarHBondContact ND2-CA 3.38Å; N217-G257 PolarHBondContact ND2-N 3.15Å; N217-G257 VanDerWaalsContact ND2-N 3.15Å; N217-G257 WeakPolarHBondContact O-CA 3.42Å; L253-G257 PolarHBondContact O-N 3.23Å; P255-G257 VanDerWaalsContact C-N 3.3Å
258G96.7Very high94.6Very high20 Ų2046.3 Ų46.321%0.20625%0.249CC..EExtended strand (participates in β ladder)trans149-144.8-177.500000112.9N217 V218 R219 N288N217-G258 PolarHBondContact O-N 3.36Å; V218-G258 CarbonylContact C-O 3.56Å; V218-G258 WeakPolarHBondContact CA-O 3.29Å; R219-G258 PolarHBondContact N-O 2.95Å; G258-N288 WeakPolarHBondContact CA-OD1 3.48Å
259E97.5Very high94.1Very high51 Ų5148.9 Ų48.924%0.23826%0.26CS..EExtended strand (participates in β ladder)trans-128.5139.4-174.6-59-169.1164.700110.6R219 I221 D287 N288R219-E259 HydrophobicContact CB-CG 4.35Å; R219-E259 IonicContact CZ-OE1 3.12Å; R219-E259 IonicContact NE-OE1 3.14Å; R219-E259 PolarHBondContact NE-OE1 3.46Å; R219-E259 VanDerWaalsContact NE-OE1 3.11Å; R219-E259 IonicContact NH2-OE1 2.67Å; R219-E259 PolarHBondContact NH2-OE1 3.31Å; R219-E259 WeakPolarHBondContact O-CA 3.3Å; I221-E259 HydrophobicContact CD1-CB 4.42Å; I221-E259 HydrophobicContact CD1-CG 4.46Å; E259-D287 WeakPolarHBondContact O-CA 3.45Å; E259-N288 PolarHBondContact N-OD1 2.92Å; E259-N288 PolarHBondContact O-N 2.93Å; E259-N288 PolarHBondContact O-OD1 3.5Å
260I98.2Very high93.4Very high0 Ų050.5 Ų50.50%027%0.268CS..EExtended strand (participates in β ladder)trans-120.4125.5166.6-56.8178.2000107V218 R219 L220 I221 V246 A249 L250 L253 V285 E286 D287V218-I260 HydrophobicContact CG1-CD1 4.22Å; V218-I260 HydrophobicContact CG1-CG1 4.21Å; R219-I260 PolarHBondContact O-N 2.8Å; L220-I260 CarbonylContact C-O 3.58Å; L220-I260 WeakPolarHBondContact CA-O 3.47Å; L220-I260 HydrophobicContact CD1-CB 4.01Å; L220-I260 HydrophobicContact CD1-CG2 3.95Å; I221-I260 PolarHBondContact N-O 3.35Å; V246-I260 HydrophobicContact CG1-CD1 4.43Å; A249-I260 HydrophobicContact CB-CD1 3.78Å; A249-I260 HydrophobicContact CB-CG1 4.13Å; A249-I260 HydrophobicContact CB-CG2 4.42Å; L250-I260 HydrophobicContact CB-CD1 4.33Å; L250-I260 HydrophobicContact CD2-CD1 3.53Å; L250-I260 HydrophobicContact CG-CD1 3.57Å; L253-I260 HydrophobicContact CD1-CD1 4.09Å; L253-I260 HydrophobicContact CD1-CG1 3.67Å; I260-V285 HydrophobicContact CG2-CG1 3.98Å; I260-E286 CarbonylContact C-O 3.57Å; I260-E286 VanDerWaalsContact CA-O 3.23Å; I260-E286 WeakPolarHBondContact CA-O 3.32Å; I260-D287 HydrophobicContact CG1-CB 4.41Å
261I98.2Very high92.8Very high25 Ų2553.2 Ų53.213%0.12829%0.286CS..EExtended strand (participates in β ladder)trans-110.3118.6177.2-47.4178.1000108.1I221 D223 R263 E286I221-I261 HydrophobicContact CB-CG1 4.18Å; I221-I261 HydrophobicContact CB-CG2 4.34Å; I221-I261 HydrophobicContact CD1-CG1 4.22Å; I221-I261 HydrophobicContact CG2-CG2 4.2Å; I221-I261 WeakPolarHBondContact O-CA 3.41Å; D223-I261 HydrophobicContact CB-CG2 4.12Å; I261-R263 HydrophobicContact CG2-CB 4.42Å; I261-E286 HydrophobicContact CB-CB 4.24Å; I261-E286 PolarHBondContact N-O 3.4Å; I261-E286 PolarHBondContact O-N 3.24Å
262L98.4Very high92.5Very high1 Ų148.3 Ų48.31%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-95.2108168.6-17461.8000108.2A203 V207 I221 D223 Y224 I283 D284 V285A203-L262 HydrophobicContact CB-CD2 3.84Å; V207-L262 HydrophobicContact CG2-CD2 3.81Å; I221-L262 PolarHBondContact O-N 3.48Å; D223-L262 PolarHBondContact N-O 3.05Å; Y224-L262 HydrophobicContact CE1-CB 4.38Å; Y224-L262 HydrophobicContact CE1-CD2 4.3Å; Y224-L262 HydrophobicContact CE1-CG 4.03Å; Y224-L262 VanDerWaalsContact CE1-O 3.29Å; Y224-L262 WeakPolarHBondContact CE1-O 3.46Å; L262-I283 HydrophobicContact CD1-CG2 3.99Å; L262-D284 WeakPolarHBondContact CA-O 3.25Å; L262-V285 HydrophobicContact CD1-CG2 3.79Å
263R98.3Very high91.8Very high43 Ų4352.2 Ų52.216%0.16228%0.277CS..EExtended strand (participates in β ladder)trans-115.2145.2-173.7-177.5-174.6-63122.65.6111D223 I261 R265 I283 D284 E286 E340D223-R263 HydrophobicContact CB-CB 4.18Å; D223-R263 HydrophobicContact CB-CG 4.1Å; D223-R263 CarbonylContact O-C 3.47Å; D223-R263 WeakPolarHBondContact O-CA 3.35Å; D223-R263 WeakPolarHBondContact O-CG 3.42Å; D223-R263 IonicContact OD2-CZ 2.74Å; D223-R263 IonicContact OD2-NE 3.9Å; D223-R263 PolarHBondContact OD2-NE 3.45Å; I261-R263 HydrophobicContact CG2-CB 4.42Å; R263-R265 HydrophobicContact CG-CG 4.28Å; R263-I283 CarbonylContact O-C 3.58Å; R263-I283 WeakPolarHBondContact O-CA 3.34Å; R263-D284 HydrophobicContact CB-CB 4.18Å; R263-D284 PolarHBondContact N-O 3.4Å; R263-D284 PolarHBondContact O-N 2.87Å; R263-E286 IonicContact CZ-OE2 2.71Å; R263-E286 VanDerWaalsContact CZ-OE2 3.24Å; R263-E286 IonicContact NH1-OE2 3.88Å; R263-E286 PolarHBondContact NH1-OE2 2.93Å; R263-E286 IonicContact NH2-OE2 2.62Å; R263-E286 PolarHBondContact NH2-OE2 3.07Å; R263-E340 IonicContact NH1-OE1 2.95Å; R263-E340 PolarHBondContact NH1-OE1 3.4Å
264T98.4Very high91Very high0 Ų055.3 Ų55.30%031%0.311CS..EExtended strand (participates in β ladder)trans-125.6141.6169.159.70000110.8I199 H200 D223 Y224 D225 R282 I283I199-T264 HydrophobicContact CG2-CG2 4.28Å; H200-T264 PolarHBondContact CD2-OG1 3.41Å; H200-T264 PolarHBondContact NE2-OG1 3.28Å; D223-T264 PolarHBondContact O-N 2.91Å; Y224-T264 VanDerWaalsContact CA-OG1 3.27Å; Y224-T264 WeakPolarHBondContact CA-OG1 3.39Å; Y224-T264 HydrophobicContact CD1-CG2 4.1Å; D225-T264 WeakPolarHBondContact CB-O 3.26Å; D225-T264 PolarHBondContact N-O 2.98Å; D225-T264 PolarHBondContact N-OG1 2.96Å; T264-R282 CarbonylContact C-O 3.45Å; T264-R282 VanDerWaalsContact CA-O 3.31Å; T264-R282 WeakPolarHBondContact CA-O 3.22Å; T264-I283 HydrophobicContact CG2-CG1 4.1Å; T264-I283 HydrophobicContact CG2-CG2 4.25Å
265R96.8Very high90.5Very high82 Ų8257.8 Ų57.831%0.30931%0.314SS..EExtended strand (participates in β ladder)trans-144.8157.4178.1-64.8-63.1-178.5-98.62.5110.3D223 R263 R282D223-R265 PolarHBondContact O-NH1 3.02Å; D223-R265 VanDerWaalsContact O-NH1 3.15Å; D223-R265 IonicContact OD1-CZ 3.17Å; D223-R265 IonicContact OD1-NH1 2.69Å; D223-R265 PolarHBondContact OD1-NH1 3.14Å; D223-R265 IonicContact OD1-NH2 2.74Å; D223-R265 PolarHBondContact OD1-NH2 2.67Å; D223-R265 IonicContact OD2-CZ 2.74Å; D223-R265 IonicContact OD2-NH1 3.74Å; D223-R265 IonicContact OD2-NH2 2.76Å; D223-R265 PolarHBondContact OD2-NH2 3.36Å; R263-R265 HydrophobicContact CG-CG 4.28Å; R265-R282 HydrophobicContact CB-CB 4.41Å; R265-R282 PolarHBondContact N-O 3.41Å; R265-R282 WeakPolarHBondContact O-CB 3.46Å; R265-R282 PolarHBondContact O-N 3.18Å
266T94.8Very high90.2Very high28 Ų2859.8 Ų59.817%0.17231%0.305CS..EExtended strand (participates in β ladder)trans-85.1126.4166.2-56.90000110.2D225 L228 F268 L279D225-T266 PolarHBondContact OD2-N 2.99Å; L228-T266 WeakPolarHBondContact CD1-OG1 3.48Å; T266-F268 HydrophobicContact CG2-CE1 4.02Å; T266-F268 HydrophobicContact CG2-CE2 3.99Å; T266-F268 HydrophobicContact CG2-CZ 3.72Å; T266-L279 HydrophobicContact CG2-CD2 3.7Å
267A91.4Very high90Very high17 Ų1751.7 Ų51.714%0.1427%0.266CS..EExtended strand (participates in β ladder)trans-98.4137169.500000110.4A280 R282 Y344A267-A280 HydrophobicContact CB-CB 4.33Å; A267-A280 PolarHBondContact N-O 3.43Å; A267-A280 PolarHBondContact O-N 3.37Å; A267-R282 HydrophobicContact CB-CB 4.33Å; A267-Y344 HydrophobicContact CB-CD1 4.32Å; A267-Y344 HydrophobicContact CB-CE1 4.31Å
268F89.1Confident89.7Confident146 Ų14657.7 Ų57.764%0.6429%0.285SS*.EExtended strand (participates in β ladder)trans-110.8142.9-177.3-61.7-88.1000110.9T266 L270 L279T266-F268 HydrophobicContact CG2-CE1 4.02Å; T266-F268 HydrophobicContact CG2-CE2 3.99Å; T266-F268 HydrophobicContact CG2-CZ 3.72Å; F268-L270 VanDerWaalsContact C-N 3.27Å; F268-L270 PolarHBondContact O-N 3.27Å; F268-L279 HydrophobicContact CD1-CD2 3.47Å; F268-L279 VanDerWaalsContact CD1-CD2 3.47Å; F268-L279 HydrophobicContact CE1-CD2 3.39Å; F268-L279 HydrophobicContact CG-CD2 4.5Å; F268-L279 HydrophobicContact CZ-CD2 4.36Å
269Q84.1Confident89.5Confident95 Ų9557.9 Ų57.944%0.44428%0.282SS..EExtended strand (participates in β ladder)trans57.137.8171.3-55.8-61.7-35.400113.8Y277 R278Q269-Y277 CarbonylContact C-O 3.47Å; Q269-Y277 VanDerWaalsContact CA-O 3.3Å; Q269-Y277 WeakPolarHBondContact CA-O 3.2Å; Q269-Y277 PolarHBondContact N-O 3.41Å; Q269-R278 PolarHBondContact N-O 3.31Å; Q269-R278 VanDerWaalsContact N-O 3.16Å
270L81.5Confident89.4Confident37 Ų3755.5 Ų55.519%0.19427%0.271CS..EExtended strand (participates in β ladder)trans-85.8138.8-178.7-170.766.5000110.6F268 L272 Y277 A280 Y344F268-L270 VanDerWaalsContact C-N 3.27Å; F268-L270 PolarHBondContact O-N 3.27Å; L270-L272 HydrophobicContact CD2-CD1 4.18Å; L270-L272 HydrophobicContact CD2-CD2 3.63Å; L270-L272 HydrophobicContact CD2-CG 3.92Å; L270-L272 HydrophobicContact CG-CD2 4.02Å; L270-L272 HydrophobicContact CG-CG 4.12Å; L270-Y277 PolarHBondContact N-O 3.12Å; L270-Y277 VanDerWaalsContact N-O 3.17Å; L270-Y277 PolarHBondContact O-N 3.11Å; L270-A280 HydrophobicContact CB-CB 4.36Å; L270-A280 HydrophobicContact CD2-CB 3.89Å; L270-Y344 HydrophobicContact CD2-CD1 3.39Å; L270-Y344 HydrophobicContact CD2-CE1 4.08Å; L270-Y344 HydrophobicContact CD2-CG 3.68Å
271T81.2Confident89.3Confident85 Ų8555.5 Ų55.552%0.52127%0.271SS..EExtended strand (participates in β ladder)trans-97.2118.1171.4-58.10000109.3E275T271-E275 CarbonylContact C-O 3.58Å; T271-E275 WeakPolarHBondContact CA-O 3.44Å
272L84.1Confident89.3Confident2 Ų257.3 Ų57.31%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-120.1125.7177.4-62.8175.3000108.6L270 G274 E275 Y277 A280 K329 P346L270-L272 HydrophobicContact CD2-CD1 4.18Å; L270-L272 HydrophobicContact CD2-CD2 3.63Å; L270-L272 HydrophobicContact CD2-CG 3.92Å; L270-L272 HydrophobicContact CG-CD2 4.02Å; L270-L272 HydrophobicContact CG-CG 4.12Å; L272-G274 PolarHBondContact O-N 3.26Å; L272-G274 VanDerWaalsContact O-N 3.12Å; L272-E275 PolarHBondContact N-O 2.97Å; L272-E275 PolarHBondContact O-N 3.13Å; L272-Y277 HydrophobicContact CB-CD2 3.96Å; L272-Y277 HydrophobicContact CB-CE2 3.95Å; L272-Y277 HydrophobicContact CD1-CD2 4.19Å; L272-Y277 HydrophobicContact CG-CD2 4.28Å; L272-A280 HydrophobicContact CD1-CB 4.4Å; L272-K329 HydrophobicContact CD2-CB 3.62Å; L272-P346 HydrophobicContact CD1-CB 4.36Å
273H78.4Confident89.3Confident103 Ų10357.3 Ų57.348%0.47728%0.276SS..THydrogen-bonded Turntrans4838.8-177-61.7-82.7000114.6E275 D324 S327 G328H273-E275 PolarHBondContact O-N 3.44Å; H273-D324 IonicContact CE1-OD1 4Å; H273-S327 VanDerWaalsContact CD2-C 3.44Å; H273-G328 PolarHBondContact NE2-O 2.94Å
274G77.6Confident89.3Confident72 Ų7255.3 Ų55.374%0.74227%0.268SS*.THydrogen-bonded Turntrans77.8-2.9-179.600000114.9L272L272-G274 PolarHBondContact O-N 3.26Å; L272-G274 VanDerWaalsContact O-N 3.12Å
275E80.4Confident89.3Confident86 Ų8655.4 Ų55.440%0.40227%0.269SS..EExtended strand (participates in β ladder)trans-99.2131.8172.4-65.4-166.9134.200110.6T271 L272 H273 Y277 K349T271-E275 CarbonylContact C-O 3.58Å; T271-E275 WeakPolarHBondContact CA-O 3.44Å; L272-E275 PolarHBondContact N-O 2.97Å; L272-E275 PolarHBondContact O-N 3.13Å; H273-E275 PolarHBondContact O-N 3.44Å; E275-Y277 HydrophobicContact CB-CD2 4.42Å; E275-Y277 HydrophobicContact CB-CE2 3.72Å; E275-Y277 WeakPolarHBondContact O-CD2 3.22Å; E275-Y277 PolarHBondContact OE2-OH 2.94Å; E275-K349 IonicContact OE1-NZ 2.7Å; E275-K349 PolarHBondContact OE1-NZ 3.19Å; E275-K349 WeakPolarHBondContact OE2-CE 3.48Å; E275-K349 IonicContact OE2-NZ 3.24Å; E275-K349 PolarHBondContact OE2-NZ 2.63Å
276R85.3Confident89.4Confident168 Ų16853.1 Ų53.163%0.63426%0.262SS*.EExtended strand (participates in β ladder)trans-83.9124.7175.2-173.3178.4178168.32.4109.4
277Y85.9Confident89.5Confident14 Ų1452 Ų526%0.05526%0.255CS..EExtended strand (participates in β ladder)trans-106.1131.2175.2-72.2-93.2000109.8Q269 L270 L272 E275 L279 P346 K349Q269-Y277 CarbonylContact C-O 3.47Å; Q269-Y277 VanDerWaalsContact CA-O 3.3Å; Q269-Y277 WeakPolarHBondContact CA-O 3.2Å; Q269-Y277 PolarHBondContact N-O 3.41Å; L270-Y277 PolarHBondContact N-O 3.12Å; L270-Y277 VanDerWaalsContact N-O 3.17Å; L270-Y277 PolarHBondContact O-N 3.11Å; L272-Y277 HydrophobicContact CB-CD2 3.96Å; L272-Y277 HydrophobicContact CB-CE2 3.95Å; L272-Y277 HydrophobicContact CD1-CD2 4.19Å; L272-Y277 HydrophobicContact CG-CD2 4.28Å; E275-Y277 HydrophobicContact CB-CD2 4.42Å; E275-Y277 HydrophobicContact CB-CE2 3.72Å; E275-Y277 WeakPolarHBondContact O-CD2 3.22Å; E275-Y277 PolarHBondContact OE2-OH 2.94Å; Y277-L279 VanDerWaalsContact C-N 3.27Å; Y277-L279 PolarHBondContact O-N 3.31Å; Y277-P346 HydrophobicContact CD1-CB 3.61Å; Y277-P346 HydrophobicContact CE1-CB 3.29Å; Y277-P346 HydrophobicContact CE1-CG 4.43Å; Y277-P346 HydrophobicContact CE2-CB 4.28Å; Y277-P346 HydrophobicContact CG-CB 4.22Å; Y277-K349 HydrophobicContact CD1-CG 3.98Å; Y277-K349 HydrophobicContact CE1-CD 4.44Å; Y277-K349 HydrophobicContact CE1-CG 3.54Å; Y277-K349 WeakPolarHBondContact OH-CE 3.33Å
278R88.4Confident89.8Confident136 Ų13654.7 Ų54.751%0.51327%0.267SS..EExtended strand (participates in β ladder)trans-62.6-39.9172.7-166.8179.177143.15.8111.5Q269 R348 K349Q269-R278 PolarHBondContact N-O 3.31Å; Q269-R278 VanDerWaalsContact N-O 3.16Å; R278-R348 PolarHBondContact N-O 3.28Å; R278-K349 PolarHBondContact N-OXT 2.85Å
279L92.2Very high90Very high25 Ų2548 Ų4813%0.13124%0.239CC..EExtended strand (participates in β ladder)trans-134.9131.8-178-63.8172.6000110.8T266 F268 Y277 I347 R348T266-L279 HydrophobicContact CG2-CD2 3.7Å; F268-L279 HydrophobicContact CD1-CD2 3.47Å; F268-L279 VanDerWaalsContact CD1-CD2 3.47Å; F268-L279 HydrophobicContact CE1-CD2 3.39Å; F268-L279 HydrophobicContact CG-CD2 4.5Å; F268-L279 HydrophobicContact CZ-CD2 4.36Å; Y277-L279 VanDerWaalsContact C-N 3.27Å; Y277-L279 PolarHBondContact O-N 3.31Å; L279-I347 HydrophobicContact CB-CB 4.31Å; L279-I347 PolarHBondContact O-N 3.23Å; L279-R348 PolarHBondContact N-O 3Å; L279-R348 PolarHBondContact O-N 3.12Å
280A94.1Very high90.5Very high0 Ų047.8 Ų47.80%025%0.246CC..EExtended strand (participates in β ladder)trans-130.5149.1169.300000109.7A267 L270 L272 L345A267-A280 HydrophobicContact CB-CB 4.33Å; A267-A280 PolarHBondContact N-O 3.43Å; A267-A280 PolarHBondContact O-N 3.37Å; L270-A280 HydrophobicContact CB-CB 4.36Å; L270-A280 HydrophobicContact CD2-CB 3.89Å; L272-A280 HydrophobicContact CD1-CB 4.4Å; A280-L345 CarbonylContact C-O 3.59Å; A280-L345 VanDerWaalsContact CA-O 3.26Å; A280-L345 WeakPolarHBondContact CA-O 3.21Å; A280-L345 WeakPolarHBondContact CB-O 3.47Å
281A97.2Very high91.1Very high0 Ų046.8 Ų46.80%024%0.244CC..EExtended strand (participates in β ladder)trans-83131.7169.500000108.7L228 L231 I283 Y344 L345 I347L228-A281 HydrophobicContact CD1-CB 3.99Å; L228-A281 HydrophobicContact CD2-CB 4.02Å; L228-A281 HydrophobicContact CG-CB 4.43Å; L231-A281 HydrophobicContact CD1-CB 4.47Å; L231-A281 HydrophobicContact CD2-CB 4.01Å; A281-I283 HydrophobicContact CB-CD1 4.15Å; A281-Y344 CarbonylContact O-C 3.56Å; A281-Y344 VanDerWaalsContact O-CA 3.25Å; A281-Y344 WeakPolarHBondContact O-CA 3.43Å; A281-L345 HydrophobicContact CB-CB 4.45Å; A281-L345 PolarHBondContact N-O 2.87Å; A281-L345 PolarHBondContact O-N 3.18Å; A281-I347 HydrophobicContact CB-CD1 3.96Å; A281-I347 HydrophobicContact CB-CG1 4.18Å
282R97.6Very high91.6Very high64 Ų6443.8 Ų43.824%0.24223%0.225CC..EExtended strand (participates in β ladder)trans-109.6123.5171.5179-179.4177.6-170.4-5.7108.2T264 R265 A267 D284 E340 S342 V343 Y344T264-R282 CarbonylContact C-O 3.45Å; T264-R282 VanDerWaalsContact CA-O 3.31Å; T264-R282 WeakPolarHBondContact CA-O 3.22Å; R265-R282 HydrophobicContact CB-CB 4.41Å; R265-R282 PolarHBondContact N-O 3.41Å; R265-R282 WeakPolarHBondContact O-CB 3.46Å; R265-R282 PolarHBondContact O-N 3.18Å; A267-R282 HydrophobicContact CB-CB 4.33Å; R282-D284 VanDerWaalsContact CG-OD1 3.24Å; R282-D284 WeakPolarHBondContact CG-OD1 3.43Å; R282-D284 IonicContact CZ-OD1 3.98Å; R282-D284 IonicContact CZ-OD2 2.84Å; R282-D284 VanDerWaalsContact NE-CG 3.29Å; R282-D284 IonicContact NE-OD1 3.37Å; R282-D284 PolarHBondContact NE-OD1 3.42Å; R282-D284 IonicContact NE-OD2 3.9Å; R282-D284 PolarHBondContact NE-OD2 3.49Å; R282-D284 IonicContact NH2-OD1 3.63Å; R282-D284 PolarHBondContact NH2-OD1 3.38Å; R282-D284 IonicContact NH2-OD2 2.73Å; R282-E340 IonicContact CZ-OE2 3.72Å; R282-E340 IonicContact NH2-OE1 3.85Å; R282-E340 PolarHBondContact NH2-OE1 3.11Å; R282-E340 IonicContact NH2-OE2 2.75Å; R282-E340 PolarHBondContact NH2-OE2 3.14Å; R282-S342 PolarHBondContact NH2-OG 3.3Å; R282-V343 CarbonylContact C-O 3.51Å; R282-V343 WeakPolarHBondContact CA-O 3.36Å; R282-Y344 HydrophobicContact CB-CD1 4.08Å; R282-Y344 HydrophobicContact CB-CE1 4Å; R282-Y344 HydrophobicContact CG-CD1 4.21Å; R282-Y344 HydrophobicContact CG-CE1 3.76Å
283I98.5Very high91.9Very high1 Ų146.4 Ų46.41%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-120.4114.2176.3-53.891.6000107.5I199 L242 L262 R263 T264 A281 V343 L345I199-I283 HydrophobicContact CG1-CD1 4Å; I199-I283 HydrophobicContact CG1-CG1 4Å; I199-I283 HydrophobicContact CG2-CG1 4.47Å; L242-I283 HydrophobicContact CD1-CG2 4.33Å; L242-I283 HydrophobicContact CD2-CG2 3.74Å; L262-I283 HydrophobicContact CD1-CG2 3.99Å; R263-I283 CarbonylContact O-C 3.58Å; R263-I283 WeakPolarHBondContact O-CA 3.34Å; T264-I283 HydrophobicContact CG2-CG1 4.1Å; T264-I283 HydrophobicContact CG2-CG2 4.25Å; A281-I283 HydrophobicContact CB-CD1 4.15Å; I283-V343 HydrophobicContact CB-CB 4.37Å; I283-V343 HydrophobicContact CD1-CG1 4.49Å; I283-V343 PolarHBondContact N-O 3.08Å; I283-V343 PolarHBondContact O-N 3.25Å; I283-L345 HydrophobicContact CD1-CD1 4.14Å
284D98.4Very high92.3Very high1 Ų146.2 Ų46.21%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-105.2135.1-176.4-49.7-49.4000110.2L262 R263 R282 E340 F341 S342L262-D284 WeakPolarHBondContact CA-O 3.25Å; R263-D284 HydrophobicContact CB-CB 4.18Å; R263-D284 PolarHBondContact N-O 3.4Å; R263-D284 PolarHBondContact O-N 2.87Å; R282-D284 VanDerWaalsContact CG-OD1 3.24Å; R282-D284 WeakPolarHBondContact CG-OD1 3.43Å; R282-D284 IonicContact CZ-OD1 3.98Å; R282-D284 IonicContact CZ-OD2 2.84Å; R282-D284 VanDerWaalsContact NE-CG 3.29Å; R282-D284 IonicContact NE-OD1 3.37Å; R282-D284 PolarHBondContact NE-OD1 3.42Å; R282-D284 IonicContact NE-OD2 3.9Å; R282-D284 PolarHBondContact NE-OD2 3.49Å; R282-D284 IonicContact NH2-OD1 3.63Å; R282-D284 PolarHBondContact NH2-OD1 3.38Å; R282-D284 IonicContact NH2-OD2 2.73Å; D284-E340 HydrophobicContact CB-CG 4.08Å; D284-F341 CarbonylContact C-O 3.41Å; D284-F341 VanDerWaalsContact CA-O 3.3Å; D284-F341 WeakPolarHBondContact CA-O 3.39Å; D284-S342 VanDerWaalsContact OD1-CB 3.32Å; D284-S342 WeakPolarHBondContact OD1-CB 3.3Å; D284-S342 PolarHBondContact OD1-OG 3.28Å
285V98.5Very high92.7Very high1 Ų149.7 Ų49.71%0.00625%0.247CC..EExtended strand (participates in β ladder)trans-112.9106.3164.3-177.60000106.4L242 I245 V246 A249 I260 L262 E340 F341L242-V285 HydrophobicContact CD2-CG2 4.47Å; I245-V285 HydrophobicContact CB-CB 4.49Å; I245-V285 HydrophobicContact CB-CG2 4.19Å; I245-V285 HydrophobicContact CG2-CB 3.54Å; I245-V285 HydrophobicContact CG2-CG1 3.86Å; I245-V285 HydrophobicContact CG2-CG2 3.73Å; V246-V285 HydrophobicContact CG2-CG1 3.8Å; V246-V285 HydrophobicContact CG2-CG2 3.94Å; A249-V285 HydrophobicContact CB-CG1 4.35Å; I260-V285 HydrophobicContact CG2-CG1 3.98Å; L262-V285 HydrophobicContact CD1-CG2 3.79Å; V285-E340 WeakPolarHBondContact O-CA 3.18Å; V285-F341 PolarHBondContact N-O 3.44Å; V285-F341 PolarHBondContact O-N 3.14Å
286E98.1Very high93.1Very high35 Ų3546.7 Ų46.716%0.16423%0.233CC..EExtended strand (participates in β ladder)trans-105131.9179.6-179.4-176.9167.500109.5I260 I261 R263 H338 T339 E340I260-E286 CarbonylContact C-O 3.57Å; I260-E286 VanDerWaalsContact CA-O 3.23Å; I260-E286 WeakPolarHBondContact CA-O 3.32Å; I261-E286 HydrophobicContact CB-CB 4.24Å; I261-E286 PolarHBondContact N-O 3.4Å; I261-E286 PolarHBondContact O-N 3.24Å; R263-E286 IonicContact CZ-OE2 2.71Å; R263-E286 VanDerWaalsContact CZ-OE2 3.24Å; R263-E286 IonicContact NH1-OE2 3.88Å; R263-E286 PolarHBondContact NH1-OE2 2.93Å; R263-E286 IonicContact NH2-OE2 2.62Å; R263-E286 PolarHBondContact NH2-OE2 3.07Å; E286-H338 VanDerWaalsContact CD-CE1 3.42Å; E286-H338 IonicContact OE1-CE1 3.36Å; E286-H338 PolarHBondContact OE1-CE1 2.76Å; E286-H338 IonicContact OE1-ND1 2.9Å; E286-H338 PolarHBondContact OE1-ND1 3.19Å; E286-H338 VanDerWaalsContact OE1-ND1 3.11Å; E286-T339 CarbonylContact C-O 3.55Å; E286-T339 VanDerWaalsContact CA-O 3.28Å; E286-T339 WeakPolarHBondContact CA-O 3.09Å; E286-E340 HydrophobicContact CB-CB 4.5Å; E286-E340 HydrophobicContact CB-CG 4.5Å
287D97.8Very high93.2Very high5 Ų541.2 Ų41.23%0.02722%0.215CC..EExtended strand (participates in β ladder)trans-123.5154.9167.371.276.7000111.3A249 L253 E259 I260 G289 H338 T339A249-D287 HydrophobicContact CB-CB 3.79Å; A249-D287 WeakPolarHBondContact CB-OD2 3.47Å; L253-D287 HydrophobicContact CD2-CB 4.4Å; E259-D287 WeakPolarHBondContact O-CA 3.45Å; I260-D287 HydrophobicContact CG1-CB 4.41Å; D287-G289 WeakPolarHBondContact OD1-CA 3.2Å; D287-G289 PolarHBondContact OD1-N 2.63Å; D287-H338 CarbonylContact O-C 3.56Å; D287-H338 VanDerWaalsContact O-CA 3.32Å; D287-H338 WeakPolarHBondContact O-CA 3.49Å; D287-T339 PolarHBondContact N-O 3.34Å; D287-T339 PolarHBondContact O-N 3.49Å; D287-T339 WeakPolarHBondContact OD2-CB 3.29Å
288N97Very high93.1Very high72 Ų7245.8 Ų45.839%0.38524%0.24SC..  trans-100.732.1175.567-15.6000112.7L253 G258 E259 G337L253-N288 VanDerWaalsContact CD2-OD1 3.31Å; L253-N288 WeakPolarHBondContact CD2-OD1 3.46Å; G258-N288 WeakPolarHBondContact CA-OD1 3.48Å; E259-N288 PolarHBondContact N-OD1 2.92Å; E259-N288 PolarHBondContact O-N 2.93Å; E259-N288 PolarHBondContact O-OD1 3.5Å; N288-G337 VanDerWaalsContact CA-O 3.26Å; N288-G337 WeakPolarHBondContact CA-O 3.5Å
289G94.9Very high93Very high7 Ų741.3 Ų41.37%0.07223%0.228CC..SBendtrans-77.5-168.1-179.400000114.2D287 G291 G337D287-G289 WeakPolarHBondContact OD1-CA 3.2Å; D287-G289 PolarHBondContact OD1-N 2.63Å; G289-G291 PolarHBondContact O-N 2.84Å; G289-G337 CarbonylContact O-C 3.58Å; G289-G337 WeakPolarHBondContact O-CA 3.36Å; G289-G337 PolarHBondContact O-N 2.96Å
290P94Very high92.9Very high90 Ų9041.3 Ų41.358%0.58423%0.228SC*.SBendtrans-69-3.5-172.828.5-36.7000115A252A252-P290 WeakPolarHBondContact O-CD 3.49Å
291G93.4Very high92.6Very high15 Ų1541.8 Ų41.816%0.15523%0.23CC..  trans83176.8-173.100000113.5G289 S334 T339G289-G291 PolarHBondContact O-N 2.84Å; G291-S334 VanDerWaalsContact CA-OG 3.27Å; G291-S334 WeakPolarHBondContact CA-OG 3.36Å; G291-T339 WeakPolarHBondContact CA-OG1 3.39Å
292I92.6Very high92.1Very high23 Ų2343.5 Ų43.512%0.11824%0.237CC..  trans-96121.2177.1-60.3166.9000109.2L296 Q297 L300 F332 S334 T339 F341I292-L296 HydrophobicContact CG2-CB 4.19Å; I292-Q297 HydrophobicContact CB-CG 4.24Å; I292-Q297 HydrophobicContact CG2-CG 3.69Å; I292-Q297 PolarHBondContact O-NE2 3.35Å; I292-L300 HydrophobicContact CD1-CD2 3.71Å; I292-L300 HydrophobicContact CG2-CD1 4.17Å; I292-F332 HydrophobicContact CD1-CD2 3.63Å; I292-F332 HydrophobicContact CD1-CE2 3.95Å; I292-F332 HydrophobicContact CD1-CG 4.23Å; I292-S334 PolarHBondContact N-OG 3.32Å; I292-T339 HydrophobicContact CD1-CG2 3.77Å; I292-T339 HydrophobicContact CG1-CG2 4.01Å; I292-F341 HydrophobicContact CD1-CE2 4.32Å; I292-F341 HydrophobicContact CD1-CZ 4.03Å
293P90.8Very high91.4Very high57 Ų5741.6 Ų41.637%0.3723%0.233SC..  trans-53.9135.7175.3-27.134.2000112.3H295 L296P293-H295 VanDerWaalsContact C-N 3.27Å; P293-H295 WeakPolarHBondContact CB-CE1 3.11Å; P293-H295 PolarHBondContact O-N 3.01Å; P293-H295 VanDerWaalsContact O-N 3.13Å; P293-L296 HydrophobicContact CB-CD1 4.36Å; P293-L296 HydrophobicContact CB-CG 4.48Å; P293-L296 HydrophobicContact CG-CD1 4.16Å; P293-L296 PolarHBondContact O-N 3.16Å
294P85.6Confident90.6Very high99 Ų9947 Ų4764%0.64326%0.26SS*.Hα-helixtrans-52.1-40.8-175.1-30.735.7000114.4L296 Q297P294-L296 PolarHBondContact O-N 3.28Å; P294-L296 VanDerWaalsContact O-N 3.11Å; P294-Q297 PolarHBondContact O-N 3.43Å; P294-Q297 VanDerWaalsContact O-N 3.15Å
295H87.1Confident89.8Confident144 Ų14449.1 Ų49.167%0.66727%0.272SS*.Hα-helixtrans-64.7-15.5179.769.2-86.6000114.8P293P293-H295 VanDerWaalsContact C-N 3.27Å; P293-H295 WeakPolarHBondContact CB-CE1 3.11Å; P293-H295 PolarHBondContact O-N 3.01Å; P293-H295 VanDerWaalsContact O-N 3.13Å
296L88.4Confident88.9Confident23 Ų2351.3 Ų51.312%0.1229%0.288CS..Hα-helixtrans-97.3-18.9177.1-64.9178000113I292 P293 P294 D298 T299 L300 V305I292-L296 HydrophobicContact CG2-CB 4.19Å; P293-L296 HydrophobicContact CB-CD1 4.36Å; P293-L296 HydrophobicContact CB-CG 4.48Å; P293-L296 HydrophobicContact CG-CD1 4.16Å; P293-L296 PolarHBondContact O-N 3.16Å; P294-L296 PolarHBondContact O-N 3.28Å; P294-L296 VanDerWaalsContact O-N 3.11Å; L296-D298 VanDerWaalsContact C-N 3.34Å; L296-D298 PolarHBondContact O-N 2.95Å; L296-T299 CarbonylContact O-C 3.54Å; L296-T299 PolarHBondContact O-N 3.39Å; L296-T299 VanDerWaalsContact O-N 3.14Å; L296-T299 PolarHBondContact O-OG1 3.32Å; L296-L300 WeakPolarHBondContact O-CA 3.32Å; L296-L300 WeakPolarHBondContact O-CB 2.95Å; L296-L300 PolarHBondContact O-N 3.16Å; L296-V305 HydrophobicContact CD2-CG1 4.07Å
297Q86.6Confident87.8Confident54 Ų5452.5 Ų52.525%0.25231%0.309SS..Hα-helixtrans-60.1-42-169.7-68.3-172.418.400112.5I292 P294 T299 F332I292-Q297 HydrophobicContact CB-CG 4.24Å; I292-Q297 HydrophobicContact CG2-CG 3.69Å; I292-Q297 PolarHBondContact O-NE2 3.35Å; P294-Q297 PolarHBondContact O-N 3.43Å; P294-Q297 VanDerWaalsContact O-N 3.15Å; Q297-T299 VanDerWaalsContact C-N 3.33Å; Q297-T299 PolarHBondContact O-N 2.97Å; Q297-F332 HydrophobicContact CB-CE2 4.23Å; Q297-F332 HydrophobicContact CB-CZ 3.87Å; Q297-F332 HydrophobicContact CG-CE2 4.07Å; Q297-F332 HydrophobicContact CG-CZ 4.22Å
298D84.2Confident86.7Confident110 Ų11057.3 Ų57.359%0.58833%0.327SS*.THydrogen-bonded Turntrans-69.5-29.9179.6-71-28.8000113.8Q123 L296Q123-D298 PolarHBondContact NE2-O 2.71Å; L296-D298 VanDerWaalsContact C-N 3.34Å; L296-D298 PolarHBondContact O-N 2.95Å
299T87Confident85.4Confident42 Ų4263.5 Ų63.526%0.25835%0.354SS..THydrogen-bonded Turntrans-107.92.4-171.559.60000113.2L296 Q297 F301 Y302L296-T299 CarbonylContact O-C 3.54Å; L296-T299 PolarHBondContact O-N 3.39Å; L296-T299 VanDerWaalsContact O-N 3.14Å; L296-T299 PolarHBondContact O-OG1 3.32Å; Q297-T299 VanDerWaalsContact C-N 3.33Å; Q297-T299 PolarHBondContact O-N 2.97Å; T299-F301 PolarHBondContact O-N 3.47Å; T299-F301 VanDerWaalsContact O-N 3.07Å; T299-Y302 HydrophobicContact CG2-CD2 4.11Å; T299-Y302 HydrophobicContact CG2-CE2 4.09Å; T299-Y302 VanDerWaalsContact O-CB 3.26Å; T299-Y302 WeakPolarHBondContact O-CB 3.22Å; T299-Y302 PolarHBondContact O-N 3.42Å
300L89.2Confident84.1Confident25 Ų2567.1 Ų67.113%0.13139%0.391CS..THydrogen-bonded Turntrans-55.8-33.4-170.5-170.469.7000114.1I292 L296 L316 F332 F341I292-L300 HydrophobicContact CD1-CD2 3.71Å; I292-L300 HydrophobicContact CG2-CD1 4.17Å; L296-L300 WeakPolarHBondContact O-CA 3.32Å; L296-L300 WeakPolarHBondContact O-CB 2.95Å; L296-L300 PolarHBondContact O-N 3.16Å; L300-L316 HydrophobicContact CD1-CD1 3.87Å; L300-L316 HydrophobicContact CD2-CD1 4.08Å; L300-L316 HydrophobicContact CG-CD1 3.6Å; L300-F332 HydrophobicContact CD2-CD1 3.75Å; L300-F332 HydrophobicContact CD2-CD2 4.46Å; L300-F332 HydrophobicContact CD2-CE1 3.72Å; L300-F332 HydrophobicContact CD2-CE2 4.44Å; L300-F332 HydrophobicContact CD2-CG 4.14Å; L300-F332 HydrophobicContact CD2-CZ 4.08Å; L300-F341 HydrophobicContact CD2-CE1 3.77Å; L300-F341 HydrophobicContact CD2-CZ 3.76Å
301F88.3Confident83.1Confident10 Ų1064.3 Ų64.34%0.04438%0.378CS..THydrogen-bonded Turntrans-93.82.7179.1-63.5-73.4000113.6T299 L316 S317 R320 I330 F332 F341T299-F301 PolarHBondContact O-N 3.47Å; T299-F301 VanDerWaalsContact O-N 3.07Å; F301-L316 HydrophobicContact CD1-CB 3.94Å; F301-L316 HydrophobicContact CE1-CB 4.27Å; F301-S317 WeakPolarHBondContact O-CA 2.81Å; F301-S317 VanDerWaalsContact O-CB 3.24Å; F301-S317 WeakPolarHBondContact O-CB 3.43Å; F301-R320 HydrophobicContact CD1-CB 3.94Å; F301-R320 HydrophobicContact CD1-CG 4.42Å; F301-I330 HydrophobicContact CD1-CG2 4.16Å; F301-I330 HydrophobicContact CE1-CB 4.43Å; F301-I330 HydrophobicContact CE1-CD1 3.88Å; F301-I330 HydrophobicContact CE1-CG1 4.02Å; F301-I330 HydrophobicContact CE1-CG2 3.57Å; F301-I330 HydrophobicContact CZ-CD1 4.37Å; F301-I330 HydrophobicContact CZ-CG1 4.06Å; F301-I330 HydrophobicContact CZ-CG2 3.8Å; F301-F332 AromaticContact CE2-CD1 3.75Å; F301-F332 HydrophobicContact CE2-CD1 3.75Å; F301-F332 AromaticContact CE2-CE1 3.95Å; F301-F332 HydrophobicContact CE2-CE1 3.95Å; F301-F332 HydrophobicContact CZ-CD1 4.06Å; F301-F341 HydrophobicContact CE1-CE1 4.35Å; F301-F341 HydrophobicContact CZ-CD1 4.39Å; F301-F341 HydrophobicContact CZ-CE1 4.12Å
302Y86.6Confident82.3Confident36 Ų3667.4 Ų67.414%0.14139%0.394CS..SBendtrans-79.1138.9-179.9-67.915.6000108.1Q126 Q127 T299 M304 V305Q126-Y302 WeakPolarHBondContact CB-OH 3.21Å; Q126-Y302 PolarHBondContact OE1-OH 2.92Å; Q127-Y302 HydrophobicContact CB-CE1 4.35Å; Q127-Y302 HydrophobicContact CG-CD1 3.66Å; Q127-Y302 HydrophobicContact CG-CE1 3.21Å; T299-Y302 HydrophobicContact CG2-CD2 4.11Å; T299-Y302 HydrophobicContact CG2-CE2 4.09Å; T299-Y302 VanDerWaalsContact O-CB 3.26Å; T299-Y302 WeakPolarHBondContact O-CB 3.22Å; T299-Y302 PolarHBondContact O-N 3.42Å; Y302-M304 PolarHBondContact O-N 2.83Å; Y302-V305 PolarHBondContact O-N 3.19Å
303P82.4Confident81.8Confident24 Ų2467 Ų6716%0.15640%0.395CS..THydrogen-bonded Turntrans-58.7143177.6-22.133.2000111.6V134 L185 V305 L314V134-P303 HydrophobicContact CG2-CB 4.08Å; V134-P303 HydrophobicContact CG2-CG 4.02Å; L185-P303 HydrophobicContact CD1-CB 3.54Å; P303-V305 PolarHBondContact O-N 3.43Å; P303-L314 HydrophobicContact CB-CD2 4.49Å
304M82.1Confident81.5Confident115 Ų11564.6 Ų64.657%0.56738%0.379SS*.THydrogen-bonded Turntrans689.7177.5-56.1-70.4-60.400115.3L185 Y302 G313 L314L185-M304 HydrophobicContact CD1-CG 4.08Å; L185-M304 HydrophobicContact CD1-SD 4.48Å; Y302-M304 PolarHBondContact O-N 2.83Å; M304-G313 PolarHBondContact N-O 2.94Å; M304-L314 HydrophobicContact CG-CD2 4.16Å; M304-L314 HydrophobicContact SD-CD2 3.72Å; M304-L314 HydrophobicContact SD-CG 4.25Å
305V80.7Confident81.7Confident44 Ų4460.6 Ų60.627%0.26736%0.356SS..  trans-86.7124.3171.7176.50000109.7L296 Y302 P303 G313L296-V305 HydrophobicContact CD2-CG1 4.07Å; Y302-V305 PolarHBondContact O-N 3.19Å; P303-V305 PolarHBondContact O-N 3.43Å; V305-G313 WeakPolarHBondContact O-CA 3.21Å
306S79.4Confident82Confident48 Ų4854.5 Ų54.534%0.33633%0.328SS..  trans-146.1134.3178.2175.40000109.7R308 G311S306-R308 PolarHBondContact O-N 3.39Å; S306-R308 PolarHBondContact OG-N 2.92Å; S306-R308 VanDerWaalsContact OG-N 3.13Å; S306-R308 PolarHBondContact OG-O 3.34Å; S306-G311 WeakPolarHBondContact CB-O 3.36Å
307G76.1Confident82Confident59 Ų5953.8 Ų53.861%0.60833%0.325SS*.SBendtrans-80.83.1170.800000114.2
308R75.4Confident82.1Confident107 Ų10751.9 Ų51.940%0.40432%0.317SS..SBendtrans-129.3145.4-172.7-58.9-176.3-174.6125.58.1112Q251 A252 S306 G310 G311Q251-R308 VanDerWaalsContact C-CZ 3.49Å; Q251-R308 VanDerWaalsContact O-CZ 3.3Å; Q251-R308 PolarHBondContact O-NH2 2.64Å; A252-R308 VanDerWaalsContact CB-NH2 3.27Å; S306-R308 PolarHBondContact O-N 3.39Å; S306-R308 PolarHBondContact OG-N 2.92Å; S306-R308 VanDerWaalsContact OG-N 3.13Å; S306-R308 PolarHBondContact OG-O 3.34Å; R308-G310 PolarHBondContact O-N 3.12Å; R308-G311 PolarHBondContact O-N 3.02Å
309E68.2Low82.5Confident202 Ų20246.6 Ų46.694%0.94429%0.289SS*.THydrogen-bonded Turntrans-61132.4168.3-65.9-169.7162.600110.6G311E309-G311 PolarHBondContact O-N 2.92Å
310G67.3Low82.7Confident83 Ų8345.8 Ų45.886%0.85628%0.281SS*.THydrogen-bonded Turntrans78.4-8.7179.900000115.9R308 T312R308-G310 PolarHBondContact O-N 3.12Å; G310-T312 PolarHBondContact O-N 3.41Å
311G74.6Confident82.6Confident31 Ų3146 Ų4632%0.3228%0.282SS..  trans-69125.8173.300000111.2S306 R308 E309 G313S306-G311 WeakPolarHBondContact CB-O 3.36Å; R308-G311 PolarHBondContact O-N 3.02Å; E309-G311 PolarHBondContact O-N 2.92Å; G311-G313 PolarHBondContact O-N 3.24Å
312T75.9Confident82.8Confident80 Ų8045.5 Ų45.549%0.49128%0.28SS..  trans-66.6-22.4-179.462.50000113.4G310 L314G310-T312 PolarHBondContact O-N 3.41Å; T312-L314 PolarHBondContact O-N 3.43Å; T312-L314 PolarHBondContact OG1-N 3.48Å
313G82.9Confident83.2Confident14 Ų1443.8 Ų43.814%0.14427%0.273CS..SBendtrans65.318-174.300000114.3M304 V305 G311M304-G313 PolarHBondContact N-O 2.94Å; V305-G313 WeakPolarHBondContact O-CA 3.21Å; G311-G313 PolarHBondContact O-N 3.24Å
314L84.3Confident83.5Confident6 Ų644 Ų443%0.03127%0.273CS..  trans-99.5-21.8-177.4-60.5-176.9000113.8L181 R184 L185 P303 M304 T312 L316 S317 I318L181-L314 HydrophobicContact CD1-CD1 4.25Å; R184-L314 HydrophobicContact CB-CD1 4.25Å; L185-L314 HydrophobicContact CB-CD1 4.43Å; L185-L314 HydrophobicContact CB-CD2 4.22Å; L185-L314 HydrophobicContact CD1-CD2 3.37Å; L185-L314 HydrophobicContact CG-CD2 4.4Å; P303-L314 HydrophobicContact CB-CD2 4.49Å; M304-L314 HydrophobicContact CG-CD2 4.16Å; M304-L314 HydrophobicContact SD-CD2 3.72Å; M304-L314 HydrophobicContact SD-CG 4.25Å; T312-L314 PolarHBondContact O-N 3.43Å; T312-L314 PolarHBondContact OG1-N 3.48Å; L314-L316 PolarHBondContact O-N 3Å; L314-S317 PolarHBondContact O-N 3.41Å; L314-S317 PolarHBondContact O-OG 2.99Å; L314-I318 HydrophobicContact CB-CD1 4.03Å; L314-I318 WeakPolarHBondContact O-CB 3.4Å; L314-I318 WeakPolarHBondContact O-CD1 3.29Å; L314-I318 WeakPolarHBondContact O-CG1 3.39Å; L314-I318 PolarHBondContact O-N 2.88Å
315G89.4Confident83.8Confident15 Ų1540.2 Ų40.216%0.15525%0.254CS..Hα-helixtrans-59.4-52.9-170.700000113.3N244 A319N244-G315 PolarHBondContact ND2-O 3.38Å; G315-A319 WeakPolarHBondContact O-CB 3.17Å; G315-A319 PolarHBondContact O-N 3.28Å
316L92.5Very high84.4Confident16 Ų1638.2 Ų38.28%0.08424%0.242CC..Hα-helixtrans-72.4-33.6-177.3-67.6177.3000113I245 N248 L300 F301 L314 A319 R320 F341I245-L316 HydrophobicContact CG1-CD2 4.17Å; N248-L316 VanDerWaalsContact ND2-CD2 3.28Å; N248-L316 WeakPolarHBondContact ND2-CD2 3.42Å; N248-L316 WeakPolarHBondContact ND2-CG 3.44Å; L300-L316 HydrophobicContact CD1-CD1 3.87Å; L300-L316 HydrophobicContact CD2-CD1 4.08Å; L300-L316 HydrophobicContact CG-CD1 3.6Å; F301-L316 HydrophobicContact CD1-CB 3.94Å; F301-L316 HydrophobicContact CE1-CB 4.27Å; L314-L316 PolarHBondContact O-N 3Å; L316-A319 PolarHBondContact O-N 3.37Å; L316-R320 WeakPolarHBondContact O-CB 3.26Å; L316-R320 PolarHBondContact O-N 3.46Å; L316-F341 HydrophobicContact CD1-CE1 3.94Å; L316-F341 HydrophobicContact CD1-CZ 3.81Å; L316-F341 HydrophobicContact CD2-CD1 4.36Å; L316-F341 HydrophobicContact CD2-CE1 3.84Å; L316-F341 HydrophobicContact CD2-CZ 4.13Å
317S89Confident84.9Confident8 Ų838.2 Ų38.26%0.05624%0.242CC..Hα-helixtrans-67.6-40.8177.263.50000111.6F301 L314 N321F301-S317 WeakPolarHBondContact O-CA 2.81Å; F301-S317 VanDerWaalsContact O-CB 3.24Å; F301-S317 WeakPolarHBondContact O-CB 3.43Å; L314-S317 PolarHBondContact O-N 3.41Å; L314-S317 PolarHBondContact O-OG 2.99Å; S317-N321 PolarHBondContact O-N 3.25Å; S317-N321 VanDerWaalsContact O-N 3.09Å
318I88.5Confident85.7Confident14 Ų1435.4 Ų35.47%0.07221%0.213CC..Hα-helixtrans-63.1-48.9171.1-66.4165.8000110.1R184 L314 R320 N321 L322R184-I318 WeakPolarHBondContact O-CD1 3.36Å; L314-I318 HydrophobicContact CB-CD1 4.03Å; L314-I318 WeakPolarHBondContact O-CB 3.4Å; L314-I318 WeakPolarHBondContact O-CD1 3.29Å; L314-I318 WeakPolarHBondContact O-CG1 3.39Å; L314-I318 PolarHBondContact O-N 2.88Å; I318-R320 VanDerWaalsContact C-N 3.3Å; I318-R320 PolarHBondContact O-N 2.93Å; I318-N321 PolarHBondContact O-N 2.93Å; I318-N321 VanDerWaalsContact O-N 3.12Å; I318-L322 HydrophobicContact CG2-CD1 3.88Å; I318-L322 HydrophobicContact CG2-CG 4.27Å; I318-L322 WeakPolarHBondContact O-CG 3.27Å; I318-L322 PolarHBondContact O-N 2.82Å
319A93.2Very high86.5Confident0 Ų033.1 Ų33.10%021%0.206CC..Hα-helixtrans-55.3-47.3179.700000111.3V241 N244 G315 L316 N321 L322 I323V241-A319 HydrophobicContact CB-CB 4.42Å; V241-A319 HydrophobicContact CG1-CB 4.1Å; V241-A319 HydrophobicContact CG2-CB 4.39Å; N244-A319 HydrophobicContact CB-CB 4.46Å; G315-A319 WeakPolarHBondContact O-CB 3.17Å; G315-A319 PolarHBondContact O-N 3.28Å; L316-A319 PolarHBondContact O-N 3.37Å; A319-N321 PolarHBondContact O-N 2.92Å; A319-L322 PolarHBondContact O-N 3.22Å; A319-I323 WeakPolarHBondContact O-CG1 3.47Å; A319-I323 PolarHBondContact O-N 2.78Å
320R90.7Very high87.8Confident25 Ų2523.7 Ų23.79%0.09416%0.162CC..Hα-helixtrans-61.4-43.2176.8-170.6166.2-177146.5-5.9112.5Q127 F301 L316 I318 L322 I323 D324 I330Q127-R320 VanDerWaalsContact NE2-CZ 3.29Å; F301-R320 HydrophobicContact CD1-CB 3.94Å; F301-R320 HydrophobicContact CD1-CG 4.42Å; L316-R320 WeakPolarHBondContact O-CB 3.26Å; L316-R320 PolarHBondContact O-N 3.46Å; I318-R320 VanDerWaalsContact C-N 3.3Å; I318-R320 PolarHBondContact O-N 2.93Å; R320-L322 PolarHBondContact O-N 3.28Å; R320-I323 PolarHBondContact O-N 2.9Å; R320-D324 PolarHBondContact O-N 3.23Å; R320-I330 HydrophobicContact CB-CG2 3.87Å; R320-I330 HydrophobicContact CG-CG2 3.67Å
321N87.9Confident88.9Confident28 Ų2822.6 Ų22.615%0.1513%0.134CC..Hα-helixtrans-61.8-44.5178.7-176.811000111.6R131 S317 I318 A319 I323 D324 Q325R131-N321 VanDerWaalsContact NH2-CA 3.27Å; R131-N321 VanDerWaalsContact NH2-N 3.12Å; S317-N321 PolarHBondContact O-N 3.25Å; S317-N321 VanDerWaalsContact O-N 3.09Å; I318-N321 PolarHBondContact O-N 2.93Å; I318-N321 VanDerWaalsContact O-N 3.12Å; A319-N321 PolarHBondContact O-N 2.92Å; N321-I323 VanDerWaalsContact C-N 3.33Å; N321-I323 PolarHBondContact O-N 3.33Å; N321-D324 PolarHBondContact O-N 3.38Å; N321-Q325 WeakPolarHBondContact O-CG 3.4Å; N321-Q325 PolarHBondContact O-N 3.5Å; N321-Q325 PolarHBondContact OD1-NE2 3.01Å
322L92.2Very high89.8Confident0 Ų023.2 Ų23.20%013%0.128CC..Hα-helixtrans-63.4-39.2177.9-67.1177.1000112.2P188 Q237 Q240 V241 I318 A319 R320 Q325 H326P188-L322 HydrophobicContact CB-CD2 4.01Å; P188-L322 HydrophobicContact CG-CD2 3.84Å; Q237-L322 HydrophobicContact CB-CD1 4.35Å; Q237-L322 HydrophobicContact CB-CD2 4.13Å; Q237-L322 HydrophobicContact CG-CD2 3.94Å; Q240-L322 HydrophobicContact CB-CD1 4.15Å; Q240-L322 HydrophobicContact CG-CD1 4.18Å; V241-L322 HydrophobicContact CG2-CB 3.61Å; V241-L322 HydrophobicContact CG2-CD1 3.99Å; V241-L322 HydrophobicContact CG2-CG 4.44Å; I318-L322 HydrophobicContact CG2-CD1 3.88Å; I318-L322 HydrophobicContact CG2-CG 4.27Å; I318-L322 WeakPolarHBondContact O-CG 3.27Å; I318-L322 PolarHBondContact O-N 2.82Å; A319-L322 PolarHBondContact O-N 3.22Å; R320-L322 PolarHBondContact O-N 3.28Å; L322-Q325 WeakPolarHBondContact O-CB 3.22Å; L322-Q325 PolarHBondContact O-N 2.94Å; L322-H326 PolarHBondContact O-N 3.48Å; L322-H326 PolarHBondContact O-ND1 2.97Å
323I93.9Very high90.5Very high0 Ų021.9 Ų21.90%012%0.12CC..Hα-helixtrans-69.5-39.9176.1-67.6-54.5000112.2I238 V241 A319 R320 N321 Q325 H326 S327 G328 K329 V343 L345I238-I323 HydrophobicContact CD1-CD1 3.7Å; V241-I323 HydrophobicContact CB-CD1 4.42Å; V241-I323 HydrophobicContact CG1-CD1 3.97Å; V241-I323 HydrophobicContact CG1-CG1 3.83Å; V241-I323 HydrophobicContact CG2-CD1 3.92Å; V241-I323 HydrophobicContact CG2-CG1 3.89Å; A319-I323 WeakPolarHBondContact O-CG1 3.47Å; A319-I323 PolarHBondContact O-N 2.78Å; R320-I323 PolarHBondContact O-N 2.9Å; N321-I323 VanDerWaalsContact C-N 3.33Å; N321-I323 PolarHBondContact O-N 3.33Å; I323-Q325 VanDerWaalsContact C-N 3.29Å; I323-Q325 PolarHBondContact O-N 2.98Å; I323-H326 CarbonylContact O-C 3.59Å; I323-H326 WeakPolarHBondContact O-CA 3.28Å; I323-H326 WeakPolarHBondContact O-CB 3.45Å; I323-H326 PolarHBondContact O-N 3.37Å; I323-S327 PolarHBondContact O-N 3.31Å; I323-G328 VanDerWaalsContact CG2-C 3.46Å; I323-G328 PolarHBondContact O-N 2.85Å; I323-K329 VanDerWaalsContact CG2-N 3.33Å; I323-V343 HydrophobicContact CD1-CG1 3.37Å; I323-V343 HydrophobicContact CG1-CG1 3.91Å; I323-L345 HydrophobicContact CD1-CD2 3.88Å
324D89.3Confident91Very high30 Ų3021.8 Ų21.816%0.1612%0.117CC..Hα-helixtrans-61.7-38.6173.7-65.8-30.2000111.2R131 H273 R320 N321 H326 S327R131-D324 IonicContact CZ-OD2 2.72Å; R131-D324 IonicContact NH1-OD2 3.12Å; R131-D324 PolarHBondContact NH1-OD2 2.91Å; R131-D324 IonicContact NH2-OD2 3.67Å; R131-D324 PolarHBondContact NH2-OD2 3.36Å; H273-D324 IonicContact CE1-OD1 4Å; R320-D324 PolarHBondContact O-N 3.23Å; N321-D324 PolarHBondContact O-N 3.38Å; D324-H326 PolarHBondContact O-N 3.03Å; D324-S327 PolarHBondContact O-N 2.96Å
325Q89.3Confident91.4Very high34 Ų3422.8 Ų22.816%0.15912%0.121CC..Hα-helixtrans-60-29.5173.5-72.7173.636.300111.9P188 R194 N321 L322 I323 S327P188-Q325 PolarHBondContact O-NE2 3.4Å; R194-Q325 PolarHBondContact NH2-O 2.88Å; N321-Q325 WeakPolarHBondContact O-CG 3.4Å; N321-Q325 PolarHBondContact O-N 3.5Å; N321-Q325 PolarHBondContact OD1-NE2 3.01Å; L322-Q325 WeakPolarHBondContact O-CB 3.22Å; L322-Q325 PolarHBondContact O-N 2.94Å; I323-Q325 VanDerWaalsContact C-N 3.29Å; I323-Q325 PolarHBondContact O-N 2.98Å; Q325-S327 VanDerWaalsContact C-N 3.28Å
326H92.1Very high91.6Very high3 Ų325.8 Ų25.81%0.01414%0.137CC..THydrogen-bonded Turntrans-84.95.9174.2-73.280.7000114.2D234 Q237 L322 I323 D324 G328 L345 P346D234-H326 PolarHBondContact N-NE2 3.43Å; Q237-H326 PolarHBondContact OE1-CE1 3.47Å; L322-H326 PolarHBondContact O-N 3.48Å; L322-H326 PolarHBondContact O-ND1 2.97Å; I323-H326 CarbonylContact O-C 3.59Å; I323-H326 WeakPolarHBondContact O-CA 3.28Å; I323-H326 WeakPolarHBondContact O-CB 3.45Å; I323-H326 PolarHBondContact O-N 3.37Å; D324-H326 PolarHBondContact O-N 3.03Å; H326-G328 PolarHBondContact O-N 3.25Å; H326-L345 HydrophobicContact CB-CD2 3.65Å; H326-P346 WeakPolarHBondContact O-CD 3.29Å; H326-P346 WeakPolarHBondContact O-CG 3.44Å
327S90.4Very high91.6Very high48 Ų4827 Ų2734%0.33615%0.154SC..THydrogen-bonded Turntrans56.230.7-171.7-49.60000112.4H273 I323 D324 Q325H273-S327 VanDerWaalsContact CD2-C 3.44Å; I323-S327 PolarHBondContact O-N 3.31Å; D324-S327 PolarHBondContact O-N 2.96Å; Q325-S327 VanDerWaalsContact C-N 3.28Å
328G93.3Very high91.9Very high0 Ų027.6 Ų27.60%016%0.156CC..  trans-95.9-171177.900000112.8H273 I323 H326 Y344H273-G328 PolarHBondContact NE2-O 2.94Å; I323-G328 VanDerWaalsContact CG2-C 3.46Å; I323-G328 PolarHBondContact O-N 2.85Å; H326-G328 PolarHBondContact O-N 3.25Å; G328-Y344 CarbonylContact C-O 3.55Å; G328-Y344 WeakPolarHBondContact CA-O 3.33Å
329K92.4Very high92.4Very high59 Ų5927.2 Ų27.226%0.25715%0.154SC..EExtended strand (participates in β ladder)trans-139.5146172-171.2-179.6-174.2-174.60109.1E120 L272 I323 E331 Y344E120-K329 IonicContact OE2-NZ 3.2Å; L272-K329 HydrophobicContact CD2-CB 3.62Å; I323-K329 VanDerWaalsContact CG2-N 3.33Å; K329-E331 HydrophobicContact CD-CG 3.86Å; K329-E331 WeakPolarHBondContact CD-OE1 3.39Å; K329-E331 WeakPolarHBondContact CE-OE1 3.22Å; K329-E331 HydrophobicContact CG-CG 4.06Å; K329-E331 IonicContact NZ-OE1 3.11Å; K329-E331 PolarHBondContact NZ-OE1 3.44Å; K329-Y344 HydrophobicContact CB-CD2 4.3Å; K329-Y344 PolarHBondContact N-O 3.03Å; K329-Y344 PolarHBondContact O-N 2.95Å
330I94Very high92.5Very high4 Ų428.3 Ų28.32%0.02116%0.159CC..EExtended strand (participates in β ladder)trans-113.9128.8165.2-171.3165.1000108.6I245 F301 R320 F341 S342 V343I245-I330 HydrophobicContact CD1-CD1 3.64Å; I245-I330 HydrophobicContact CG1-CD1 4.29Å; F301-I330 HydrophobicContact CD1-CG2 4.16Å; F301-I330 HydrophobicContact CE1-CB 4.43Å; F301-I330 HydrophobicContact CE1-CD1 3.88Å; F301-I330 HydrophobicContact CE1-CG1 4.02Å; F301-I330 HydrophobicContact CE1-CG2 3.57Å; F301-I330 HydrophobicContact CZ-CD1 4.37Å; F301-I330 HydrophobicContact CZ-CG1 4.06Å; F301-I330 HydrophobicContact CZ-CG2 3.8Å; R320-I330 HydrophobicContact CB-CG2 3.87Å; R320-I330 HydrophobicContact CG-CG2 3.67Å; I330-F341 HydrophobicContact CD1-CD1 4.34Å; I330-S342 WeakPolarHBondContact CA-O 3.49Å; I330-V343 HydrophobicContact CD1-CG2 4.14Å; I330-V343 HydrophobicContact CG1-CG2 4.27Å
331E91.7Very high92.9Very high60 Ų6027.7 Ų27.728%0.2816%0.157SC..EExtended strand (participates in β ladder)trans-123.9164.7174.6-63.7-178.6154.200109K329 F341 S342 Y344K329-E331 HydrophobicContact CD-CG 3.86Å; K329-E331 WeakPolarHBondContact CD-OE1 3.39Å; K329-E331 WeakPolarHBondContact CE-OE1 3.22Å; K329-E331 HydrophobicContact CG-CG 4.06Å; K329-E331 IonicContact NZ-OE1 3.11Å; K329-E331 PolarHBondContact NZ-OE1 3.44Å; E331-F341 CarbonylContact O-C 3.56Å; E331-F341 WeakPolarHBondContact O-CA 3.36Å; E331-S342 PolarHBondContact N-O 3.25Å; E331-S342 PolarHBondContact O-N 3.46Å; E331-Y344 HydrophobicContact CB-CE2 4.17Å; E331-Y344 HydrophobicContact CG-CE2 4.01Å; E331-Y344 WeakPolarHBondContact OE2-CE2 3.18Å; E331-Y344 PolarHBondContact OE2-OH 3.27Å
332F93.4Very high93.4Very high43 Ų4326.5 Ų26.519%0.18915%0.151CC..EExtended strand (participates in β ladder)trans-139.8157.1168.270.2-86.1000110.6I292 Q297 L300 F301 E340 F341I292-F332 HydrophobicContact CD1-CD2 3.63Å; I292-F332 HydrophobicContact CD1-CE2 3.95Å; I292-F332 HydrophobicContact CD1-CG 4.23Å; Q297-F332 HydrophobicContact CB-CE2 4.23Å; Q297-F332 HydrophobicContact CB-CZ 3.87Å; Q297-F332 HydrophobicContact CG-CE2 4.07Å; Q297-F332 HydrophobicContact CG-CZ 4.22Å; L300-F332 HydrophobicContact CD2-CD1 3.75Å; L300-F332 HydrophobicContact CD2-CD2 4.46Å; L300-F332 HydrophobicContact CD2-CE1 3.72Å; L300-F332 HydrophobicContact CD2-CE2 4.44Å; L300-F332 HydrophobicContact CD2-CG 4.14Å; L300-F332 HydrophobicContact CD2-CZ 4.08Å; F301-F332 AromaticContact CE2-CD1 3.75Å; F301-F332 HydrophobicContact CE2-CD1 3.75Å; F301-F332 AromaticContact CE2-CE1 3.95Å; F301-F332 HydrophobicContact CE2-CE1 3.95Å; F301-F332 HydrophobicContact CZ-CD1 4.06Å; F332-E340 CarbonylContact C-O 3.55Å; F332-E340 WeakPolarHBondContact CA-O 3.37Å; F332-E340 WeakPolarHBondContact CB-O 3.46Å; F332-F341 HydrophobicContact CB-CD1 3.77Å; F332-F341 HydrophobicContact CB-CE1 3.9Å; F332-F341 HydrophobicContact CB-CG 4.2Å; F332-F341 HydrophobicContact CB-CZ 4.43Å; F332-F341 HydrophobicContact CG-CE1 4.4Å
333T91.3Very high93.6Very high52 Ų5226.5 Ų26.532%0.31915%0.151SC..EExtended strand (participates in β ladder)trans-133.8134.5164.8-53.20000107.4W335 E340T333-W335 HydrophobicContact CG2-CE3 4Å; T333-W335 HydrophobicContact CG2-CZ3 3.55Å; T333-E340 PolarHBondContact N-O 2.87Å; T333-E340 PolarHBondContact O-N 2.98Å
334S93.4Very high93.8Very high13 Ų1327.6 Ų27.69%0.09116%0.155CC..EExtended strand (participates in β ladder)trans-148.7139.1-174.4-171.30000112.6G291 I292 H338 T339G291-S334 VanDerWaalsContact CA-OG 3.27Å; G291-S334 WeakPolarHBondContact CA-OG 3.36Å; I292-S334 PolarHBondContact N-OG 3.32Å; S334-H338 CarbonylContact C-O 3.49Å; S334-H338 VanDerWaalsContact CA-O 3.27Å; S334-H338 WeakPolarHBondContact CA-O 3.38Å; S334-H338 PolarHBondContact OG-O 3.45Å; S334-T339 PolarHBondContact OG-OG1 2.85Å
335W91.9Very high94.2Very high26 Ų2626.2 Ų26.210%0.09815%0.148CC..EExtended strand (participates in β ladder)trans-149.4166.4167.558.989.6000108.1Y58 V84 T333 G337 H338Y58-W335 HydrophobicContact CD1-CB 3.65Å; Y58-W335 HydrophobicContact CD1-CG 4.36Å; Y58-W335 HydrophobicContact CD2-CB 4.47Å; Y58-W335 HydrophobicContact CE1-CB 3.93Å; Y58-W335 HydrophobicContact CG-CB 3.93Å; Y58-W335 HydrophobicContact CG-CG 4.4Å; V84-W335 HydrophobicContact CG1-CD2 4.39Å; V84-W335 HydrophobicContact CG1-CH2 4.14Å; V84-W335 HydrophobicContact CG1-CZ2 3.69Å; V84-W335 HydrophobicContact CG2-CB 4.49Å; V84-W335 HydrophobicContact CG2-CD2 3.63Å; V84-W335 HydrophobicContact CG2-CE3 3.87Å; V84-W335 HydrophobicContact CG2-CG 3.92Å; V84-W335 HydrophobicContact CG2-CZ2 4.4Å; V84-W335 HydrophobicContact CG2-CZ3 4.35Å; T333-W335 HydrophobicContact CG2-CE3 4Å; T333-W335 HydrophobicContact CG2-CZ3 3.55Å; W335-G337 PolarHBondContact O-N 3.27Å; W335-H338 HydrophobicContact CD2-CB 3.9Å; W335-H338 AromaticContact CD2-CD2 3.99Å; W335-H338 AromaticContact CE2-CD2 3.75Å; W335-H338 AromaticContact CE2-CG 3.69Å; W335-H338 AromaticContact CE3-CD2 3.8Å; W335-H338 HydrophobicContact CG-CB 4.28Å; W335-H338 HydrophobicContact CH2-CB 4.31Å; W335-H338 AromaticContact CH2-CD2 3.11Å; W335-H338 WeakPolarHBondContact CH2-CD2 3.3Å; W335-H338 AromaticContact CH2-CG 3.7Å; W335-H338 AromaticContact CH2-NE2 3.42Å; W335-H338 WeakPolarHBondContact CH2-NE2 3.38Å; W335-H338 HydrophobicContact CZ2-CB 3.6Å; W335-H338 AromaticContact CZ2-CD2 3.32Å; W335-H338 WeakPolarHBondContact CZ2-CD2 3.04Å; W335-H338 AromaticContact CZ2-CG 3.39Å; W335-H338 AromaticContact CZ2-NE2 3.91Å; W335-H338 AromaticContact CZ3-CD2 3.37Å; W335-H338 WeakPolarHBondContact CZ3-CD2 3.3Å; W335-H338 AromaticContact CZ3-NE2 3.86Å; W335-H338 PolarHBondContact N-O 3.37Å; W335-H338 CarbonylContact O-C 3.46Å; W335-H338 PolarHBondContact O-N 3.44Å
336P92.5Very high94.4Very high78 Ų7825.7 Ų25.751%0.50615%0.148SC..THydrogen-bonded Turntrans-55.2125.9177.6-27.236.5000112.1Y58Y58-P336 HydrophobicContact CD2-CG 4.37Å; Y58-P336 VanDerWaalsContact CE2-CD 3.43Å; Y58-P336 HydrophobicContact CE2-CG 3.88Å
337G94Very high94.4Very high41 Ų4126.9 Ų26.942%0.42315%0.154SC..THydrogen-bonded Turntrans87.42.1-175.400000114.9N288 G289 W335N288-G337 VanDerWaalsContact CA-O 3.26Å; N288-G337 WeakPolarHBondContact CA-O 3.5Å; G289-G337 CarbonylContact O-C 3.58Å; G289-G337 WeakPolarHBondContact O-CA 3.36Å; G289-G337 PolarHBondContact O-N 2.96Å; W335-G337 PolarHBondContact O-N 3.27Å
338H95.6Very high93.7Very high22 Ų2232.5 Ų32.510%0.10217%0.167CC..EExtended strand (participates in β ladder)trans-156.6124.4176.8-177.789.7000112.6E286 D287 S334 W335E286-H338 VanDerWaalsContact CD-CE1 3.42Å; E286-H338 IonicContact OE1-CE1 3.36Å; E286-H338 PolarHBondContact OE1-CE1 2.76Å; E286-H338 IonicContact OE1-ND1 2.9Å; E286-H338 PolarHBondContact OE1-ND1 3.19Å; E286-H338 VanDerWaalsContact OE1-ND1 3.11Å; D287-H338 CarbonylContact O-C 3.56Å; D287-H338 VanDerWaalsContact O-CA 3.32Å; D287-H338 WeakPolarHBondContact O-CA 3.49Å; S334-H338 CarbonylContact C-O 3.49Å; S334-H338 VanDerWaalsContact CA-O 3.27Å; S334-H338 WeakPolarHBondContact CA-O 3.38Å; S334-H338 PolarHBondContact OG-O 3.45Å; W335-H338 HydrophobicContact CD2-CB 3.9Å; W335-H338 AromaticContact CD2-CD2 3.99Å; W335-H338 AromaticContact CE2-CD2 3.75Å; W335-H338 AromaticContact CE2-CG 3.69Å; W335-H338 AromaticContact CE3-CD2 3.8Å; W335-H338 HydrophobicContact CG-CB 4.28Å; W335-H338 HydrophobicContact CH2-CB 4.31Å; W335-H338 AromaticContact CH2-CD2 3.11Å; W335-H338 WeakPolarHBondContact CH2-CD2 3.3Å; W335-H338 AromaticContact CH2-CG 3.7Å; W335-H338 AromaticContact CH2-NE2 3.42Å; W335-H338 WeakPolarHBondContact CH2-NE2 3.38Å; W335-H338 HydrophobicContact CZ2-CB 3.6Å; W335-H338 AromaticContact CZ2-CD2 3.32Å; W335-H338 WeakPolarHBondContact CZ2-CD2 3.04Å; W335-H338 AromaticContact CZ2-CG 3.39Å; W335-H338 AromaticContact CZ2-NE2 3.91Å; W335-H338 AromaticContact CZ3-CD2 3.37Å; W335-H338 WeakPolarHBondContact CZ3-CD2 3.3Å; W335-H338 AromaticContact CZ3-NE2 3.86Å; W335-H338 PolarHBondContact N-O 3.37Å; W335-H338 CarbonylContact O-C 3.46Å; W335-H338 PolarHBondContact O-N 3.44Å
339T97.1Very high92.1Very high5 Ų540.2 Ų40.23%0.03120%0.201CC..EExtended strand (participates in β ladder)trans-133.1119.5166.4-56.20000108.7E286 D287 G291 I292 S334 F341E286-T339 CarbonylContact C-O 3.55Å; E286-T339 VanDerWaalsContact CA-O 3.28Å; E286-T339 WeakPolarHBondContact CA-O 3.09Å; D287-T339 PolarHBondContact N-O 3.34Å; D287-T339 PolarHBondContact O-N 3.49Å; D287-T339 WeakPolarHBondContact OD2-CB 3.29Å; G291-T339 WeakPolarHBondContact CA-OG1 3.39Å; I292-T339 HydrophobicContact CD1-CG2 3.77Å; I292-T339 HydrophobicContact CG1-CG2 4.01Å; S334-T339 PolarHBondContact OG-OG1 2.85Å; T339-F341 HydrophobicContact CG2-CD2 4.02Å; T339-F341 HydrophobicContact CG2-CE2 3.69Å
340E97.2Very high92.1Very high24 Ų2439.3 Ų39.311%0.11220%0.198CC..EExtended strand (participates in β ladder)trans-116.9118.2176.7-178.2178.3-12300109.2R263 R282 D284 V285 E286 F332 T333R263-E340 IonicContact NH1-OE1 2.95Å; R263-E340 PolarHBondContact NH1-OE1 3.4Å; R282-E340 IonicContact CZ-OE2 3.72Å; R282-E340 IonicContact NH2-OE1 3.85Å; R282-E340 PolarHBondContact NH2-OE1 3.11Å; R282-E340 IonicContact NH2-OE2 2.75Å; R282-E340 PolarHBondContact NH2-OE2 3.14Å; D284-E340 HydrophobicContact CB-CG 4.08Å; V285-E340 WeakPolarHBondContact O-CA 3.18Å; E286-E340 HydrophobicContact CB-CB 4.5Å; E286-E340 HydrophobicContact CB-CG 4.5Å; F332-E340 CarbonylContact C-O 3.55Å; F332-E340 WeakPolarHBondContact CA-O 3.37Å; F332-E340 WeakPolarHBondContact CB-O 3.46Å; T333-E340 PolarHBondContact N-O 2.87Å; T333-E340 PolarHBondContact O-N 2.98Å
341F98.1Very high92Very high11 Ų1141.1 Ų41.15%0.04821%0.208CC..EExtended strand (participates in β ladder)trans-96.4123.7165.2-76.5-91.8000109.4I245 D284 V285 I292 L300 F301 L316 I330 E331 F332 T339I245-F341 HydrophobicContact CD1-CB 4.45Å; I245-F341 HydrophobicContact CG2-CB 3.51Å; I245-F341 HydrophobicContact CG2-CD2 3.82Å; I245-F341 HydrophobicContact CG2-CG 3.74Å; D284-F341 CarbonylContact C-O 3.41Å; D284-F341 VanDerWaalsContact CA-O 3.3Å; D284-F341 WeakPolarHBondContact CA-O 3.39Å; V285-F341 PolarHBondContact N-O 3.44Å; V285-F341 PolarHBondContact O-N 3.14Å; I292-F341 HydrophobicContact CD1-CE2 4.32Å; I292-F341 HydrophobicContact CD1-CZ 4.03Å; L300-F341 HydrophobicContact CD2-CE1 3.77Å; L300-F341 HydrophobicContact CD2-CZ 3.76Å; F301-F341 HydrophobicContact CE1-CE1 4.35Å; F301-F341 HydrophobicContact CZ-CD1 4.39Å; F301-F341 HydrophobicContact CZ-CE1 4.12Å; L316-F341 HydrophobicContact CD1-CE1 3.94Å; L316-F341 HydrophobicContact CD1-CZ 3.81Å; L316-F341 HydrophobicContact CD2-CD1 4.36Å; L316-F341 HydrophobicContact CD2-CE1 3.84Å; L316-F341 HydrophobicContact CD2-CZ 4.13Å; I330-F341 HydrophobicContact CD1-CD1 4.34Å; E331-F341 CarbonylContact O-C 3.56Å; E331-F341 WeakPolarHBondContact O-CA 3.36Å; F332-F341 HydrophobicContact CB-CD1 3.77Å; F332-F341 HydrophobicContact CB-CE1 3.9Å; F332-F341 HydrophobicContact CB-CG 4.2Å; F332-F341 HydrophobicContact CB-CZ 4.43Å; F332-F341 HydrophobicContact CG-CE1 4.4Å; T339-F341 HydrophobicContact CG2-CD2 4.02Å; T339-F341 HydrophobicContact CG2-CE2 3.69Å
342S97.5Very high92Very high3 Ų340.1 Ų40.12%0.02120%0.203CC..EExtended strand (participates in β ladder)trans-109.1117.9-179.9-58.50000110.5R282 D284 I330 E331R282-S342 PolarHBondContact NH2-OG 3.3Å; D284-S342 VanDerWaalsContact OD1-CB 3.32Å; D284-S342 WeakPolarHBondContact OD1-CB 3.3Å; D284-S342 PolarHBondContact OD1-OG 3.28Å; I330-S342 WeakPolarHBondContact CA-O 3.49Å; E331-S342 PolarHBondContact N-O 3.25Å; E331-S342 PolarHBondContact O-N 3.46Å
343V98Very high91.9Very high1 Ų139.9 Ų39.91%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-99123.5174174.90000109.4V241 I245 R282 I283 I323 I330 L345V241-V343 HydrophobicContact CG1-CG2 4.01Å; I245-V343 HydrophobicContact CD1-CG2 3.67Å; R282-V343 CarbonylContact C-O 3.51Å; R282-V343 WeakPolarHBondContact CA-O 3.36Å; I283-V343 HydrophobicContact CB-CB 4.37Å; I283-V343 HydrophobicContact CD1-CG1 4.49Å; I283-V343 PolarHBondContact N-O 3.08Å; I283-V343 PolarHBondContact O-N 3.25Å; I323-V343 HydrophobicContact CD1-CG1 3.37Å; I323-V343 HydrophobicContact CG1-CG1 3.91Å; I330-V343 HydrophobicContact CD1-CG2 4.14Å; I330-V343 HydrophobicContact CG1-CG2 4.27Å; V343-L345 HydrophobicContact CG1-CG 4.32Å
344Y97.2Very high92Very high22 Ų2239.1 Ų39.19%0.08620%0.197CC..EExtended strand (participates in β ladder)trans-108.8128178-59.3-85.6000111A267 L270 A281 R282 G328 K329 E331A267-Y344 HydrophobicContact CB-CD1 4.32Å; A267-Y344 HydrophobicContact CB-CE1 4.31Å; L270-Y344 HydrophobicContact CD2-CD1 3.39Å; L270-Y344 HydrophobicContact CD2-CE1 4.08Å; L270-Y344 HydrophobicContact CD2-CG 3.68Å; A281-Y344 CarbonylContact O-C 3.56Å; A281-Y344 VanDerWaalsContact O-CA 3.25Å; A281-Y344 WeakPolarHBondContact O-CA 3.43Å; R282-Y344 HydrophobicContact CB-CD1 4.08Å; R282-Y344 HydrophobicContact CB-CE1 4Å; R282-Y344 HydrophobicContact CG-CD1 4.21Å; R282-Y344 HydrophobicContact CG-CE1 3.76Å; G328-Y344 CarbonylContact C-O 3.55Å; G328-Y344 WeakPolarHBondContact CA-O 3.33Å; K329-Y344 HydrophobicContact CB-CD2 4.3Å; K329-Y344 PolarHBondContact N-O 3.03Å; K329-Y344 PolarHBondContact O-N 2.95Å; E331-Y344 HydrophobicContact CB-CE2 4.17Å; E331-Y344 HydrophobicContact CG-CE2 4.01Å; E331-Y344 WeakPolarHBondContact OE2-CE2 3.18Å; E331-Y344 PolarHBondContact OE2-OH 3.27Å
345L96.8Very high91.9Very high1 Ų140.9 Ų40.91%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-125.5136.7176.6-66.2172000111I199 L231 I238 A280 A281 I283 I323 H326 V343I199-L345 HydrophobicContact CD1-CD1 3.94Å; L231-L345 HydrophobicContact CD1-CB 3.53Å; L231-L345 HydrophobicContact CD1-CD1 3.86Å; L231-L345 HydrophobicContact CD1-CG 4.34Å; I238-L345 HydrophobicContact CD1-CD1 3.88Å; I238-L345 HydrophobicContact CD1-CD2 4.04Å; I238-L345 HydrophobicContact CG1-CD1 4.24Å; A280-L345 CarbonylContact C-O 3.59Å; A280-L345 VanDerWaalsContact CA-O 3.26Å; A280-L345 WeakPolarHBondContact CA-O 3.21Å; A280-L345 WeakPolarHBondContact CB-O 3.47Å; A281-L345 HydrophobicContact CB-CB 4.45Å; A281-L345 PolarHBondContact N-O 2.87Å; A281-L345 PolarHBondContact O-N 3.18Å; I283-L345 HydrophobicContact CD1-CD1 4.14Å; I323-L345 HydrophobicContact CD1-CD2 3.88Å; H326-L345 HydrophobicContact CB-CD2 3.65Å; V343-L345 HydrophobicContact CG1-CG 4.32Å
346P94.6Very high91.9Very high24 Ų2441.9 Ų41.916%0.15621%0.212CC..EExtended strand (participates in β ladder)trans-69.8137.1179.928.1-33.7000111.8L272 Y277 H326L272-P346 HydrophobicContact CD1-CB 4.36Å; Y277-P346 HydrophobicContact CD1-CB 3.61Å; Y277-P346 HydrophobicContact CE1-CB 3.29Å; Y277-P346 HydrophobicContact CE1-CG 4.43Å; Y277-P346 HydrophobicContact CE2-CB 4.28Å; Y277-P346 HydrophobicContact CG-CB 4.22Å; H326-P346 WeakPolarHBondContact O-CD 3.29Å; H326-P346 WeakPolarHBondContact O-CG 3.44Å
347I92.5Very high91.8Very high27 Ų2739.2 Ų39.214%0.13819%0.189CC..EExtended strand (participates in β ladder)trans-108.9-60.1175.4-52.5-177.7000110.6L228 P229 L231 L279 A281L228-I347 HydrophobicContact CD1-CD1 4.05Å; P229-I347 HydrophobicContact CB-CG2 4.43Å; P229-I347 HydrophobicContact CG-CD1 3.74Å; P229-I347 HydrophobicContact CG-CG2 3.71Å; L231-I347 HydrophobicContact CB-CG1 4.17Å; L231-I347 HydrophobicContact CB-CG2 4.42Å; L279-I347 HydrophobicContact CB-CB 4.31Å; L279-I347 PolarHBondContact O-N 3.23Å; A281-I347 HydrophobicContact CB-CD1 3.96Å; A281-I347 HydrophobicContact CB-CG1 4.18Å
348R75.1Confident91.7Very high166 Ų16639 Ų3963%0.62617%0.17SC*.EExtended strand (participates in β ladder)trans-141.1132.2-179.4-72.3-174.9-175.9-174.42.5109.5R278 L279R278-R348 PolarHBondContact N-O 3.28Å; L279-R348 PolarHBondContact N-O 3Å; L279-R348 PolarHBondContact O-N 3.12Å
349K60.2Low91.3Very high162 Ų16240.5 Ų40.570%0.70418%0.176SC*.  trans-61.20169.7-68.8-170.1173.9-164.40109.8E275 Y277 R278E275-K349 IonicContact OE1-NZ 2.7Å; E275-K349 PolarHBondContact OE1-NZ 3.19Å; E275-K349 WeakPolarHBondContact OE2-CE 3.48Å; E275-K349 IonicContact OE2-NZ 3.24Å; E275-K349 PolarHBondContact OE2-NZ 2.63Å; Y277-K349 HydrophobicContact CD1-CG 3.98Å; Y277-K349 HydrophobicContact CE1-CD 4.44Å; Y277-K349 HydrophobicContact CE1-CG 3.54Å; Y277-K349 WeakPolarHBondContact OH-CE 3.33Å; R278-K349 PolarHBondContact N-OXT 2.85Å

Retrieved 349 of 349 residues in 102.9 ms (Link to these results)

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