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2,3-bisphosphoglycerate-dependent phosphoglycerate mutase

Catalyzes interconversion of 3- and 2-phosphoglycerate with 2,3-bisphosphoglycerate (2,3-BPG) as the primer of the reaction1. Schistosomula have significant surface phosphoglycerate mutase activity also without 2,3-BPG2. Binds human plasminogen and enhances its conversion to active thrombolytic plasmin in the presence of human tissue plasminogen activator (tPA) in vitro3. Host-interactive surface protein, which may degrade vascular blood clots surrounding the worm in vivo and thus may help survival of the parasite in its host microenvironment (Probable).

AlphaFold DB , UniProt , Accession G4VJD5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 250 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
1M70.4Confident93Very high204 Ų20445.8 Ų45.8100%1.00524%0.238SC*.  0148.20-72-178.2-159.200108.3R176M1-R176 PolarHBondContact SD-NH2 3.25Å; M1-R176 VanDerWaalsContact SD-NH2 3.42Å
2A80.7Confident93.4Very high71 Ų7142 Ų4259%0.58722%0.218SC*.PPolyproline II helixtrans-59.2136.8171.600000110.1
3P88.7Confident93.7Very high55 Ų5542.5 Ų42.536%0.35722%0.219SC..PPolyproline II helixtrans-63.8150.9178.828-33.7000110.2E217 L218P3-E217 HydrophobicContact CB-CB 4.19Å; P3-E217 HydrophobicContact CG-CB 4.46Å; P3-E217 HydrophobicContact CG-CG 4.35Å; P3-E217 WeakPolarHBondContact CG-OE2 3.25Å; P3-L218 WeakPolarHBondContact CA-O 3.46Å
4Y96.4Very high93.9Very high35 Ų3539.4 Ų39.414%0.13720%0.203CC..EExtended strand (participates in β ladder)trans-70.8151.2167.6-57.4-73.2000109.7I173 R176 E217 L218 D219 L222Y4-I173 VanDerWaalsContact CB-CG2 3.45Å; Y4-I173 HydrophobicContact CD1-CG2 3.82Å; Y4-I173 WeakPolarHBondContact CD1-O 3.36Å; Y4-I173 HydrophobicContact CD2-CG2 4.03Å; Y4-I173 WeakPolarHBondContact CE1-O 3.5Å; Y4-I173 HydrophobicContact CG-CG2 3.52Å; Y4-R176 HydrophobicContact CD1-CG 4.32Å; Y4-R176 HydrophobicContact CE1-CG 3.67Å; Y4-E217 CarbonylContact O-C 3.5Å; Y4-E217 WeakPolarHBondContact O-CA 3.46Å; Y4-L218 PolarHBondContact N-O 3.37Å; Y4-L218 PolarHBondContact O-N 2.7Å; Y4-D219 VanDerWaalsContact CD2-O 3.27Å; Y4-D219 WeakPolarHBondContact CD2-O 3.15Å; Y4-D219 WeakPolarHBondContact CE2-O 3.21Å; Y4-L222 HydrophobicContact CD2-CD2 3.77Å; Y4-L222 HydrophobicContact CE2-CD2 3.98Å; Y4-L222 HydrophobicContact CG-CD2 4.49Å
5R95Very high94.1Very high116 Ų11639.7 Ų39.744%0.43821%0.207SC..EExtended strand (participates in β ladder)trans-123.4135.7174.4-75.9178179.21711.3110.4Y216 E217R5-Y216 WeakPolarHBondContact CA-O 3.36Å; R5-E217 HydrophobicContact CG-CG 3.95Å; R5-E217 IonicContact CZ-OE1 3.72Å; R5-E217 IonicContact NE-OE1 3.32Å; R5-E217 PolarHBondContact NE-OE1 3.38Å; R5-E217 IonicContact NH2-OE1 3.65Å; R5-E217 PolarHBondContact NH2-OE1 2.91Å
6I98.3Very high94.2Very high0 Ų039.8 Ų39.80%020%0.204CC..EExtended strand (participates in β ladder)trans-133.4140169.4-175.2161.7000109.1F8 W165 I169 I173 V179 I181 Y216 L218I6-F8 HydrophobicContact CD1-CD1 4.49Å; I6-F8 HydrophobicContact CD1-CE1 3.56Å; I6-F8 HydrophobicContact CD1-CZ 4.19Å; I6-F8 HydrophobicContact CG1-CD1 4.15Å; I6-F8 HydrophobicContact CG1-CE1 3.57Å; I6-F8 HydrophobicContact CG1-CZ 4.27Å; I6-F8 HydrophobicContact CG2-CE1 4.24Å; I6-F8 HydrophobicContact CG2-CZ 4.11Å; I6-W165 HydrophobicContact CD1-CZ3 4.04Å; I6-I169 HydrophobicContact CD1-CG2 3.71Å; I6-I173 HydrophobicContact CD1-CD1 3.84Å; I6-I173 HydrophobicContact CD1-CG1 4.38Å; I6-V179 HydrophobicContact CD1-CB 3.97Å; I6-V179 HydrophobicContact CD1-CG1 3.72Å; I6-V179 HydrophobicContact CG1-CB 3.95Å; I6-V179 HydrophobicContact CG1-CG1 4.01Å; I6-I181 HydrophobicContact CD1-CD1 3.91Å; I6-I181 HydrophobicContact CD1-CG1 4.17Å; I6-Y216 PolarHBondContact N-O 3.42Å; I6-Y216 VanDerWaalsContact N-O 3.09Å; I6-Y216 PolarHBondContact O-N 3.08Å; I6-L218 HydrophobicContact CG2-CD1 4.06Å; I6-L218 HydrophobicContact CG2-CG 4.44Å
7V98.8Very high93.9Very high1 Ų138.8 Ų38.81%0.00620%0.2CC..EExtended strand (participates in β ladder)trans-116.1131.2-179.21800000109.8I9 L45 F50 F52 V179 L180 I181 P213 L214 V215V7-I9 HydrophobicContact CG1-CG1 4.27Å; V7-L45 HydrophobicContact CG1-CD2 4.11Å; V7-L45 HydrophobicContact CG2-CD2 4.46Å; V7-F50 HydrophobicContact CG2-CD1 3.82Å; V7-F50 HydrophobicContact CG2-CE1 3.76Å; V7-F52 HydrophobicContact CB-CE1 3.82Å; V7-F52 HydrophobicContact CB-CZ 3.89Å; V7-F52 HydrophobicContact CG1-CZ 4.31Å; V7-F52 HydrophobicContact CG2-CE1 3.68Å; V7-F52 HydrophobicContact CG2-CZ 3.78Å; V7-V179 PolarHBondContact N-O 3.14Å; V7-L180 HydrophobicContact CB-CD1 4.07Å; V7-L180 HydrophobicContact CG1-CD1 3.95Å; V7-I181 PolarHBondContact O-N 3.08Å; V7-P213 HydrophobicContact CG1-CB 3.88Å; V7-L214 WeakPolarHBondContact CA-O 3.29Å; V7-V215 HydrophobicContact CG2-CG1 4.49Å; V7-V215 HydrophobicContact CG2-CG2 4.2Å
8F98.9Very high93.8Very high3 Ų342.4 Ų42.41%0.01322%0.215CC..EExtended strand (participates in β ladder)trans-109.6135.9172.9-54.8-32.5000110.2I6 I181 L188 L191 L195 P213 L214 Y216I6-F8 HydrophobicContact CD1-CD1 4.49Å; I6-F8 HydrophobicContact CD1-CE1 3.56Å; I6-F8 HydrophobicContact CD1-CZ 4.19Å; I6-F8 HydrophobicContact CG1-CD1 4.15Å; I6-F8 HydrophobicContact CG1-CE1 3.57Å; I6-F8 HydrophobicContact CG1-CZ 4.27Å; I6-F8 HydrophobicContact CG2-CE1 4.24Å; I6-F8 HydrophobicContact CG2-CZ 4.11Å; F8-I181 CarbonylContact C-O 3.58Å; F8-I181 WeakPolarHBondContact CA-O 3.5Å; F8-I181 HydrophobicContact CD1-CB 3.9Å; F8-I181 HydrophobicContact CD1-CD1 4.14Å; F8-I181 HydrophobicContact CD1-CG1 4.08Å; F8-I181 HydrophobicContact CE1-CB 4.4Å; F8-I181 HydrophobicContact CE1-CD1 3.75Å; F8-I181 HydrophobicContact CE1-CG1 4.11Å; F8-L188 HydrophobicContact CB-CD1 4.44Å; F8-L188 HydrophobicContact CB-CD2 4Å; F8-L188 HydrophobicContact CD1-CD2 4.44Å; F8-L188 HydrophobicContact CG-CD2 4.19Å; F8-L191 HydrophobicContact CE1-CD1 4.26Å; F8-L191 HydrophobicContact CZ-CB 4.5Å; F8-L191 HydrophobicContact CZ-CD1 4.42Å; F8-L195 HydrophobicContact CE2-CD1 3.69Å; F8-L195 HydrophobicContact CZ-CD1 3.67Å; F8-P213 WeakPolarHBondContact O-CA 3.42Å; F8-L214 HydrophobicContact CB-CB 4.35Å; F8-L214 HydrophobicContact CD2-CD2 4.4Å; F8-L214 PolarHBondContact N-O 2.85Å; F8-L214 PolarHBondContact O-N 3.12Å; F8-Y216 AromaticContact CD2-CD2 3.81Å; F8-Y216 HydrophobicContact CD2-CD2 3.81Å; F8-Y216 AromaticContact CD2-CE2 3.82Å; F8-Y216 HydrophobicContact CD2-CE2 3.82Å; F8-Y216 AromaticContact CE2-CD2 3.54Å; F8-Y216 HydrophobicContact CE2-CD2 3.54Å; F8-Y216 AromaticContact CE2-CE2 3.64Å; F8-Y216 HydrophobicContact CE2-CE2 3.64Å; F8-Y216 HydrophobicContact CE2-CG 4.33Å; F8-Y216 HydrophobicContact CZ-CD2 4.45Å
9I98.9Very high93.8Very high0 Ų044.6 Ų44.60%023%0.225CC..EExtended strand (participates in β ladder)trans-129.4121.6171.1-52.8176.8000107.8V7 A41 L45 T66 V70 L180 I181 V182 A183 P213V7-I9 HydrophobicContact CG1-CG1 4.27Å; I9-A41 HydrophobicContact CD1-CB 4.26Å; I9-A41 HydrophobicContact CG2-CB 4.37Å; I9-L45 HydrophobicContact CD1-CD1 3.83Å; I9-T66 HydrophobicContact CG2-CG2 4.22Å; I9-V70 HydrophobicContact CD1-CG1 4.08Å; I9-V70 HydrophobicContact CD1-CG2 3.9Å; I9-L180 HydrophobicContact CD1-CD1 3.77Å; I9-L180 HydrophobicContact CG1-CD1 4.03Å; I9-I181 PolarHBondContact N-O 2.84Å; I9-V182 HydrophobicContact CB-CG1 4.46Å; I9-V182 HydrophobicContact CB-CG2 4.15Å; I9-V182 HydrophobicContact CD1-CG2 4.27Å; I9-V182 WeakPolarHBondContact O-CA 3.2Å; I9-A183 PolarHBondContact O-N 2.84Å; I9-P213 HydrophobicContact CD1-CG 4.33Å; I9-P213 HydrophobicContact CG1-CB 4.21Å; I9-P213 HydrophobicContact CG1-CG 4.33Å
10R98.7Very high93.6Very high16 Ų1643.7 Ų43.76%0.0622%0.22CC..EExtended strand (participates in β ladder)trans-73133.8163.4-178.6-177.1172.3-174.8-5107.8L188 I208 P209 T210 G211 V243R10-L188 HydrophobicContact CB-CD1 3.93Å; R10-I208 HydrophobicContact CB-CG2 4.12Å; R10-I208 VanDerWaalsContact CD-O 3.3Å; R10-I208 WeakPolarHBondContact CD-O 3.4Å; R10-I208 PolarHBondContact NH1-O 3.45Å; R10-P209 WeakPolarHBondContact CB-O 3.44Å; R10-T210 HydrophobicContact CG-CG2 4.37Å; R10-G211 PolarHBondContact O-N 2.7Å; R10-V243 VanDerWaalsContact NH1-CG2 3.26Å
11H98.7Very high93.7Very high3 Ų345.4 Ų45.41%0.01422%0.224CC..PPolyproline II helixtrans-47.6150175.171.174.8000112.3R62 A63 A183 H184 T210H11-R62 PolarHBondContact NE2-NE 2.94Å; H11-A63 HydrophobicContact CB-CB 4.27Å; H11-A183 PolarHBondContact CD2-O 2.9Å; H11-A183 PolarHBondContact N-O 3.02Å; H11-H184 AromaticContact CD2-CE1 3.82Å; H11-H184 AromaticContact CD2-CG 3.84Å; H11-H184 AromaticContact CD2-ND1 3.2Å; H11-H184 PolarHBondContact CD2-ND1 2.86Å; H11-H184 AromaticContact NE2-ND1 3.39Å; H11-H184 PolarHBondContact NE2-ND1 2.68Å; H11-T210 WeakPolarHBondContact O-CB 3.49Å; H11-T210 WeakPolarHBondContact O-CG2 3.27Å
12G97.4Very high94.8Very high0 Ų035.8 Ų35.80%018%0.177CC..PPolyproline II helixtrans-62.9169.8173.700000112.1S14 L30 E37 T66G12-S14 PolarHBondContact O-N 2.76Å; G12-L30 WeakPolarHBondContact O-CD2 3.45Å; G12-E37 VanDerWaalsContact CA-OE2 3.24Å; G12-E37 WeakPolarHBondContact CA-OE2 3.26Å; G12-T66 PolarHBondContact N-OG1 2.95Å
13E96.9Very high95.5Very high48 Ų4832.8 Ų32.822%0.22415%0.152CC..PPolyproline II helixtrans-47.8129.4177.6-170.4-174.1-111.300112.5N17 L30 S31 G34 E37E13-N17 HydrophobicContact CG-CB 3.8Å; E13-L30 WeakPolarHBondContact O-CA 3.31Å; E13-S31 PolarHBondContact O-N 3.27Å; E13-S31 PolarHBondContact O-OG 2.79Å; E13-S31 PolarHBondContact OE2-OG 3.5Å; E13-G34 VanDerWaalsContact O-CA 3.31Å; E13-G34 WeakPolarHBondContact O-CA 3.34Å; E13-E37 PolarHBondContact N-OE2 3.16Å
14S97.2Very high95.8Very high0 Ų030.2 Ų30.20%014%0.135CC..BIsolated β-bridgetrans-92.8159.217264.70000111.6G12 Y16 N17 E18 D29G12-S14 PolarHBondContact O-N 2.76Å; S14-Y16 PolarHBondContact O-N 3.33Å; S14-Y16 VanDerWaalsContact O-N 3.15Å; S14-N17 PolarHBondContact N-OD1 3.36Å; S14-N17 WeakPolarHBondContact O-CA 3.22Å; S14-N17 WeakPolarHBondContact O-CB 3.07Å; S14-N17 PolarHBondContact O-N 3.27Å; S14-N17 PolarHBondContact OG-N 3.1Å; S14-N17 PolarHBondContact OG-OD1 3.01Å; S14-E18 PolarHBondContact O-N 2.86Å; S14-E18 VanDerWaalsContact O-N 3.07Å; S14-D29 CarbonylContact C-O 3.59Å; S14-D29 WeakPolarHBondContact CA-O 3.4Å; S14-D29 WeakPolarHBondContact CB-O 3.32Å
15V97.2Very high95.9Very high44 Ų4428.6 Ų28.627%0.26713%0.128SC..Hα-helixtrans-51.9-38.4172.3178.40000111.1N17 E18 E19 D29V15-N17 VanDerWaalsContact C-N 3.34Å; V15-N17 PolarHBondContact O-N 3.2Å; V15-E18 WeakPolarHBondContact O-CB 3.47Å; V15-E18 PolarHBondContact O-N 3.08Å; V15-E19 HydrophobicContact CG1-CG 4.39Å; V15-E19 VanDerWaalsContact CG1-OE1 3.29Å; V15-E19 WeakPolarHBondContact CG1-OE1 3.44Å; V15-E19 WeakPolarHBondContact O-CB 3.4Å; V15-E19 WeakPolarHBondContact O-CG 3.42Å; V15-E19 PolarHBondContact O-N 3.32Å; V15-D29 PolarHBondContact N-O 3.4Å
16Y94.8Very high96Very high41 Ų4126.5 Ų26.516%0.16112%0.123CC..Hα-helixtrans-72.6-23.3176.4-91.737000114.2S14 N20 R21 C23 H26 A28S14-Y16 PolarHBondContact O-N 3.33Å; S14-Y16 VanDerWaalsContact O-N 3.15Å; Y16-N20 PolarHBondContact O-N 3.46Å; Y16-R21 HydrophobicContact CD2-CB 3.6Å; Y16-R21 HydrophobicContact CE2-CB 4.05Å; Y16-R21 HydrophobicContact CG-CB 3.92Å; Y16-R21 PolarHBondContact O-N 3.33Å; Y16-C23 HydrophobicContact CD2-CB 3.91Å; Y16-C23 HydrophobicContact CG-CB 4.34Å; Y16-H26 AromaticContact CD2-CD2 3.93Å; Y16-H26 AromaticContact CE1-CD2 3.84Å; Y16-H26 AromaticContact CE1-NE2 3.75Å; Y16-H26 HydrophobicContact CE2-CB 4.45Å; Y16-H26 AromaticContact CE2-CD2 3.33Å; Y16-H26 WeakPolarHBondContact CE2-CD2 3.31Å; Y16-H26 AromaticContact CE2-CG 3.98Å; Y16-H26 AromaticContact CE2-NE2 3.96Å; Y16-H26 AromaticContact CZ-CD2 3.29Å; Y16-H26 AromaticContact CZ-NE2 3.4Å; Y16-H26 PolarHBondContact OH-NE2 3.5Å; Y16-A28 HydrophobicContact CD1-CB 3.93Å; Y16-A28 HydrophobicContact CG-CB 3.94Å
17N90.2Very high96Very high23 Ų2328.2 Ų28.212%0.12313%0.132CC..Hα-helixtrans-71.6-44.1170.8-59.3138.8000110.4E13 S14 V15 N20E13-N17 HydrophobicContact CG-CB 3.8Å; S14-N17 PolarHBondContact N-OD1 3.36Å; S14-N17 WeakPolarHBondContact O-CA 3.22Å; S14-N17 WeakPolarHBondContact O-CB 3.07Å; S14-N17 PolarHBondContact O-N 3.27Å; S14-N17 PolarHBondContact OG-N 3.1Å; S14-N17 PolarHBondContact OG-OD1 3.01Å; V15-N17 VanDerWaalsContact C-N 3.34Å; V15-N17 PolarHBondContact O-N 3.2Å; N17-N20 PolarHBondContact O-N 3.06Å; N17-N20 VanDerWaalsContact O-N 3.16Å
18E90.7Very high95.9Very high103 Ų10328.4 Ų28.448%0.48113%0.134SC..Hα-helixtrans-59.3-45.9175.4-177.8176.3-154.500111.7S14 V15 N20S14-E18 PolarHBondContact O-N 2.86Å; S14-E18 VanDerWaalsContact O-N 3.07Å; V15-E18 WeakPolarHBondContact O-CB 3.47Å; V15-E18 PolarHBondContact O-N 3.08Å; E18-N20 PolarHBondContact O-N 3.3Å
19E93.4Very high95.9Very high85 Ų8530.8 Ų30.840%0.39715%0.147SC..THydrogen-bonded Turntrans-76.81.5177.5-68-179.7-162.300114.5V15 R21 N99V15-E19 HydrophobicContact CG1-CG 4.39Å; V15-E19 VanDerWaalsContact CG1-OE1 3.29Å; V15-E19 WeakPolarHBondContact CG1-OE1 3.44Å; V15-E19 WeakPolarHBondContact O-CB 3.4Å; V15-E19 WeakPolarHBondContact O-CG 3.42Å; V15-E19 PolarHBondContact O-N 3.32Å; E19-R21 VanDerWaalsContact C-N 3.3Å; E19-R21 HydrophobicContact CB-CG 4.13Å; E19-R21 PolarHBondContact O-N 2.96Å; E19-R21 VanDerWaalsContact OE2-CD 3.31Å; E19-R21 WeakPolarHBondContact OE2-CD 3.26Å; E19-R21 IonicContact OE2-CZ 3.38Å; E19-R21 IonicContact OE2-NE 3.48Å; E19-R21 PolarHBondContact OE2-NE 3.08Å; E19-N99 PolarHBondContact O-ND2 2.76Å; E19-N99 VanDerWaalsContact O-ND2 3.09Å
20N90.6Very high95.9Very high25 Ų2531.2 Ų31.213%0.13415%0.15CC..THydrogen-bonded Turntrans5637.2-178.3-160.136.8000114.4Y16 N17 E18 K100 S101 G247Y16-N20 PolarHBondContact O-N 3.46Å; N17-N20 PolarHBondContact O-N 3.06Å; N17-N20 VanDerWaalsContact O-N 3.16Å; E18-N20 PolarHBondContact O-N 3.3Å; N20-K100 WeakPolarHBondContact O-CB 3.26Å; N20-K100 VanDerWaalsContact O-CG 3.3Å; N20-K100 WeakPolarHBondContact O-CG 3.44Å; N20-K100 PolarHBondContact O-N 3.36Å; N20-K100 WeakPolarHBondContact OD1-CD 3.49Å; N20-S101 PolarHBondContact ND2-OG 3.4Å; N20-G247 WeakPolarHBondContact OD1-CA 3.4Å; N20-G247 PolarHBondContact OD1-N 3.45Å
21R94.8Very high95.8Very high81 Ų8130.7 Ų30.731%0.30615%0.148SC..BIsolated β-bridgetrans-99.4153.8178.3-65.8-179.4-174.6-79.7-5.6112.8Y16 E19 C23 G97 L98 K100Y16-R21 HydrophobicContact CD2-CB 3.6Å; Y16-R21 HydrophobicContact CE2-CB 4.05Å; Y16-R21 HydrophobicContact CG-CB 3.92Å; Y16-R21 PolarHBondContact O-N 3.33Å; E19-R21 VanDerWaalsContact C-N 3.3Å; E19-R21 HydrophobicContact CB-CG 4.13Å; E19-R21 PolarHBondContact O-N 2.96Å; E19-R21 VanDerWaalsContact OE2-CD 3.31Å; E19-R21 WeakPolarHBondContact OE2-CD 3.26Å; E19-R21 IonicContact OE2-CZ 3.38Å; E19-R21 IonicContact OE2-NE 3.48Å; E19-R21 PolarHBondContact OE2-NE 3.08Å; R21-C23 PolarHBondContact O-N 3.09Å; R21-G97 WeakPolarHBondContact CD-O 3.12Å; R21-G97 PolarHBondContact NH1-O 2.92Å; R21-L98 CarbonylContact C-O 3.54Å; R21-L98 VanDerWaalsContact CA-O 3.28Å; R21-L98 WeakPolarHBondContact CA-O 3.45Å; R21-K100 VanDerWaalsContact O-CE 3.29Å; R21-K100 WeakPolarHBondContact O-CE 3.27Å
22F94Very high95.8Very high1 Ų133.1 Ų33.10%0.00417%0.174CC..  trans-72.3120165.9-67.6-82.6000109.4Y92 L95 Q96 G97 L98 K100 T103 V112 R116F22-Y92 HydrophobicContact CB-CG 4.37Å; F22-Y92 AromaticContact CD1-CD1 3.79Å; F22-Y92 HydrophobicContact CD1-CD1 3.79Å; F22-Y92 HydrophobicContact CD1-CD2 4.39Å; F22-Y92 HydrophobicContact CD1-CE1 4.01Å; F22-Y92 HydrophobicContact CD1-CG 4.01Å; F22-Y92 HydrophobicContact CE1-CD1 4.29Å; F22-Y92 HydrophobicContact CE1-CE1 4.28Å; F22-L95 HydrophobicContact CB-CB 4.24Å; F22-L95 WeakPolarHBondContact CB-O 3.41Å; F22-L95 HydrophobicContact CD1-CB 4.46Å; F22-L95 HydrophobicContact CD2-CB 3.91Å; F22-L95 HydrophobicContact CE1-CD1 4.2Å; F22-L95 HydrophobicContact CE2-CB 4.35Å; F22-L95 HydrophobicContact CE2-CD1 4.26Å; F22-L95 HydrophobicContact CG-CB 3.97Å; F22-L95 HydrophobicContact CZ-CD1 4.07Å; F22-Q96 WeakPolarHBondContact O-CA 3.24Å; F22-G97 PolarHBondContact O-N 3.04Å; F22-L98 HydrophobicContact CD2-CB 4.48Å; F22-L98 WeakPolarHBondContact CD2-O 3.42Å; F22-L98 PolarHBondContact N-O 3.47Å; F22-K100 HydrophobicContact CD1-CG 4.25Å; F22-K100 HydrophobicContact CD2-CG 3.83Å; F22-K100 HydrophobicContact CE1-CG 4.07Å; F22-K100 HydrophobicContact CE2-CB 4.15Å; F22-K100 HydrophobicContact CE2-CG 3.64Å; F22-K100 HydrophobicContact CG-CG 4.14Å; F22-K100 HydrophobicContact CZ-CB 4.35Å; F22-K100 HydrophobicContact CZ-CG 3.76Å; F22-T103 HydrophobicContact CE2-CG2 4.05Å; F22-V112 HydrophobicContact CZ-CG1 3.98Å; F22-R116 HydrophobicContact CE1-CG 3.83Å; F22-R116 HydrophobicContact CZ-CG 4.37Å
23C95.3Very high95.8Very high9 Ų937.3 Ų37.36%0.06119%0.194CC..  trans-93.5-67.1-177.4-167.10000111.4Y16 R21 W25 H26 R62 Q96Y16-C23 HydrophobicContact CD2-CB 3.91Å; Y16-C23 HydrophobicContact CG-CB 4.34Å; R21-C23 PolarHBondContact O-N 3.09Å; C23-W25 PolarHBondContact O-N 2.68Å; C23-H26 WeakPolarHBondContact O-CB 3.06Å; C23-H26 PolarHBondContact O-N 2.86Å; C23-H26 VanDerWaalsContact O-N 3.14Å; C23-H26 PolarHBondContact SG-O 3.46Å; C23-R62 PolarHBondContact SG-NH1 3.23Å; C23-Q96 WeakPolarHBondContact O-CG 3.31Å; C23-Q96 PolarHBondContact O-OE1 3.04Å
24G96.6Very high95.9Very high0 Ų035 Ų350%018%0.183CC..THydrogen-bonded Turntrans63-129.4-177.800000111.1H26 R62 R90G24-H26 VanDerWaalsContact C-N 3.28Å; G24-R62 PolarHBondContact O-NH2 2.79Å; G24-R90 VanDerWaalsContact CA-O 3.23Å; G24-R90 WeakPolarHBondContact CA-O 3.37Å
25W98.1Very high96Very high1 Ų137.7 Ų37.70%0.00420%0.197CC..THydrogen-bonded Turntrans-81.2-6.2176.9-73.436.1000113.4C23 D27 L60 W85 N88 E89 M91 P134 Y140 P149C23-W25 PolarHBondContact O-N 2.68Å; W25-D27 PolarHBondContact O-N 2.75Å; W25-L60 WeakPolarHBondContact O-CD2 3.43Å; W25-W85 HydrophobicContact CH2-CB 4.32Å; W25-W85 HydrophobicContact CH2-CD2 4.4Å; W25-W85 AromaticContact CH2-CE3 3.61Å; W25-W85 HydrophobicContact CH2-CE3 3.61Å; W25-W85 HydrophobicContact CH2-CZ3 4.28Å; W25-W85 AromaticContact CZ2-CE3 3.93Å; W25-W85 HydrophobicContact CZ2-CE3 3.93Å; W25-W85 HydrophobicContact CZ2-CZ3 4.48Å; W25-N88 HydrophobicContact CD2-CB 4.29Å; W25-N88 HydrophobicContact CZ2-CB 3.97Å; W25-E89 PolarHBondContact NE1-O 2.72Å; W25-M91 HydrophobicContact CB-SD 3.69Å; W25-M91 HydrophobicContact CD2-SD 4.32Å; W25-M91 HydrophobicContact CG-CB 4.45Å; W25-M91 HydrophobicContact CG-SD 3.73Å; W25-P134 HydrophobicContact CB-CG 4.31Å; W25-P134 HydrophobicContact CD2-CG 4.41Å; W25-P134 HydrophobicContact CE3-CB 3.71Å; W25-P134 HydrophobicContact CE3-CG 3.82Å; W25-P134 HydrophobicContact CZ3-CB 4.15Å; W25-Y140 AromaticContact CE3-CE1 3.77Å; W25-Y140 HydrophobicContact CE3-CE1 3.77Å; W25-Y140 AromaticContact CE3-CE2 3.77Å; W25-Y140 HydrophobicContact CE3-CE2 3.77Å; W25-Y140 AromaticContact CE3-CZ 3.33Å; W25-Y140 VanDerWaalsContact CE3-OH 3.25Å; W25-Y140 HydrophobicContact CH2-CE1 4.2Å; W25-Y140 AromaticContact CZ3-CD1 3.84Å; W25-Y140 HydrophobicContact CZ3-CD1 3.84Å; W25-Y140 HydrophobicContact CZ3-CD2 4.39Å; W25-Y140 AromaticContact CZ3-CE1 3.37Å; W25-Y140 HydrophobicContact CZ3-CE1 3.37Å; W25-Y140 AromaticContact CZ3-CE2 3.99Å; W25-Y140 HydrophobicContact CZ3-CE2 3.99Å; W25-Y140 HydrophobicContact CZ3-CG 4.33Å; W25-Y140 AromaticContact CZ3-CZ 3.46Å; W25-Y140 VanDerWaalsContact CZ3-CZ 3.46Å; W25-P149 HydrophobicContact CD2-CG 4.37Å; W25-P149 VanDerWaalsContact CH2-CD 3.46Å; W25-P149 HydrophobicContact CH2-CG 3.83Å; W25-P149 HydrophobicContact CZ2-CG 3.61Å; W25-P149 HydrophobicContact CZ3-CG 4.3Å
26H97Very high96Very high72 Ų7238.4 Ų38.433%0.33320%0.202SC..SBendtrans-56.1131.7168.8-178.169.1000109.7Y16 C23 G24 A28 R62Y16-H26 AromaticContact CD2-CD2 3.93Å; Y16-H26 AromaticContact CE1-CD2 3.84Å; Y16-H26 AromaticContact CE1-NE2 3.75Å; Y16-H26 HydrophobicContact CE2-CB 4.45Å; Y16-H26 AromaticContact CE2-CD2 3.33Å; Y16-H26 WeakPolarHBondContact CE2-CD2 3.31Å; Y16-H26 AromaticContact CE2-CG 3.98Å; Y16-H26 AromaticContact CE2-NE2 3.96Å; Y16-H26 AromaticContact CZ-CD2 3.29Å; Y16-H26 AromaticContact CZ-NE2 3.4Å; Y16-H26 PolarHBondContact OH-NE2 3.5Å; C23-H26 WeakPolarHBondContact O-CB 3.06Å; C23-H26 PolarHBondContact O-N 2.86Å; C23-H26 VanDerWaalsContact O-N 3.14Å; C23-H26 PolarHBondContact SG-O 3.46Å; G24-H26 VanDerWaalsContact C-N 3.28Å; H26-A28 PolarHBondContact O-N 2.91Å; H26-R62 PolarHBondContact O-NH1 3.09Å
27D97.4Very high96.2Very high36 Ų3636.8 Ų36.819%0.19320%0.195CC..  trans-89.354.6-168.3-156.112.1000112.4W25 L60 K61 K139W25-D27 PolarHBondContact O-N 2.75Å; D27-L60 WeakPolarHBondContact OD1-CA 3.36Å; D27-K61 VanDerWaalsContact CG-CE 3.5Å; D27-K61 VanDerWaalsContact O-CD 3.28Å; D27-K61 WeakPolarHBondContact O-CD 3.32Å; D27-K61 WeakPolarHBondContact O-CE 3.26Å; D27-K61 PolarHBondContact O-NZ 2.69Å; D27-K61 WeakPolarHBondContact OD1-CG 3.46Å; D27-K61 PolarHBondContact OD1-N 3.1Å; D27-K61 WeakPolarHBondContact OD2-CE 3.29Å; D27-K139 IonicContact OD2-NZ 3.71Å; D27-K139 PolarHBondContact OD2-NZ 2.81Å; D27-K139 VanDerWaalsContact OD2-NZ 3.13Å
28A97.3Very high96.6Very high6 Ų635.7 Ų35.75%0.0519%0.19CC..PPolyproline II helixtrans-64.2144176.500000111.4Y16 H26 K61 R62Y16-A28 HydrophobicContact CD1-CB 3.93Å; Y16-A28 HydrophobicContact CG-CB 3.94Å; H26-A28 PolarHBondContact O-N 2.91Å; A28-K61 WeakPolarHBondContact O-CG 3.18Å; A28-R62 WeakPolarHBondContact O-CB 3.38Å
29D98.5Very high97Very high52 Ų5235 Ų3528%0.27819%0.185SC..PPolyproline II helixtrans-80.5171.2177.2-139.3-39.4000112.5S14 V15 K61 K65S14-D29 CarbonylContact C-O 3.59Å; S14-D29 WeakPolarHBondContact CA-O 3.4Å; S14-D29 WeakPolarHBondContact CB-O 3.32Å; V15-D29 PolarHBondContact N-O 3.4Å; D29-K61 HydrophobicContact CB-CD 3.96Å; D29-K65 WeakPolarHBondContact OD1-CD 3.15Å; D29-K65 WeakPolarHBondContact OD1-CE 3.38Å; D29-K65 IonicContact OD1-NZ 3.48Å; D29-K65 PolarHBondContact OD1-NZ 3.13Å; D29-K65 IonicContact OD2-NZ 3.38Å; D29-K65 PolarHBondContact OD2-NZ 3.19Å
30L98.6Very high97.2Very high10 Ų1035.3 Ų35.35%0.05219%0.186CC..BIsolated β-bridgetrans-68.8143.8168.1-67173.9000110.5G12 E13 I35 R62 K65 F69G12-L30 WeakPolarHBondContact O-CD2 3.45Å; E13-L30 WeakPolarHBondContact O-CA 3.31Å; L30-I35 HydrophobicContact CB-CG1 3.98Å; L30-I35 HydrophobicContact CD1-CG1 4.29Å; L30-R62 HydrophobicContact CD2-CB 3.95Å; L30-R62 HydrophobicContact CG-CB 4.29Å; L30-K65 HydrophobicContact CD1-CB 3.81Å; L30-K65 HydrophobicContact CG-CB 4.5Å; L30-F69 HydrophobicContact CD1-CD2 4.29Å; L30-F69 HydrophobicContact CD1-CE2 4.25Å
31S98Very high97.6Very high4 Ų434.1 Ų34.13%0.02818%0.18CC..PPolyproline II helixtrans-73.6171.2164.972.80000110E13 Q33 G34 I35E13-S31 PolarHBondContact O-N 3.27Å; E13-S31 PolarHBondContact O-OG 2.79Å; E13-S31 PolarHBondContact OE2-OG 3.5Å; S31-Q33 PolarHBondContact O-N 2.85Å; S31-Q33 PolarHBondContact OG-N 2.83Å; S31-G34 PolarHBondContact O-N 3.16Å; S31-G34 VanDerWaalsContact O-N 3.09Å; S31-G34 PolarHBondContact OG-N 3.05Å; S31-I35 WeakPolarHBondContact O-CG1 2.83Å; S31-I35 PolarHBondContact O-N 3.16Å
32G98.1Very high97.8Very high55 Ų5530.2 Ų30.257%0.56717%0.165SC*.Hα-helixtrans-56.5-39.6171.700000112I35 T36G32-I35 PolarHBondContact O-N 3.43Å; G32-T36 PolarHBondContact O-N 2.81Å; G32-T36 PolarHBondContact O-OG1 2.87Å
33Q97.2Very high98Very high88 Ų8833.8 Ų33.841%0.41118%0.182SC..Hα-helixtrans-66-41174.2-178.158.430.200111.9S31 I35 T36 E37S31-Q33 PolarHBondContact O-N 2.85Å; S31-Q33 PolarHBondContact OG-N 2.83Å; Q33-I35 VanDerWaalsContact C-N 3.29Å; Q33-I35 PolarHBondContact O-N 3.36Å; Q33-T36 WeakPolarHBondContact O-CB 3.3Å; Q33-T36 PolarHBondContact O-N 2.93Å; Q33-T36 VanDerWaalsContact O-N 3.12Å; Q33-E37 HydrophobicContact CG-CG 4.46Å; Q33-E37 WeakPolarHBondContact O-CG 3.32Å; Q33-E37 PolarHBondContact O-N 3.37Å
34G98.2Very high98.1Very high0 Ų035.5 Ų35.50%019%0.19CC..Hα-helixtrans-63.5-31.4177.700000114.4E13 S31 A38E13-G34 VanDerWaalsContact O-CA 3.31Å; E13-G34 WeakPolarHBondContact O-CA 3.34Å; S31-G34 PolarHBondContact O-N 3.16Å; S31-G34 VanDerWaalsContact O-N 3.09Å; S31-G34 PolarHBondContact OG-N 3.05Å; G34-A38 WeakPolarHBondContact O-CB 3.38Å; G34-A38 PolarHBondContact O-N 3.32Å
35I98.8Very high98.2Very high56 Ų5635.5 Ų35.529%0.28719%0.19SC..Hα-helixtrans-66.5-44.7171.5-65.3170.4000110.3L30 S31 G32 Q33 A38 K39 F69L30-I35 HydrophobicContact CB-CG1 3.98Å; L30-I35 HydrophobicContact CD1-CG1 4.29Å; S31-I35 WeakPolarHBondContact O-CG1 2.83Å; S31-I35 PolarHBondContact O-N 3.16Å; G32-I35 PolarHBondContact O-N 3.43Å; Q33-I35 VanDerWaalsContact C-N 3.29Å; Q33-I35 PolarHBondContact O-N 3.36Å; I35-A38 PolarHBondContact O-N 3.36Å; I35-K39 HydrophobicContact CG2-CD 4.5Å; I35-K39 PolarHBondContact O-N 2.99Å; I35-K39 VanDerWaalsContact O-N 3.07Å; I35-F69 HydrophobicContact CB-CE2 4.3Å; I35-F69 HydrophobicContact CG1-CE2 3.91Å; I35-F69 HydrophobicContact CG1-CZ 4.24Å; I35-F69 HydrophobicContact CG2-CD2 4.38Å; I35-F69 HydrophobicContact CG2-CE1 4.09Å; I35-F69 HydrophobicContact CG2-CE2 3.84Å; I35-F69 HydrophobicContact CG2-CZ 3.67Å
36T98.5Very high98.2Very high59 Ų5940.9 Ų40.936%0.36221%0.211SC..Hα-helixtrans-60.1-46.7175.8-59.90000111.3G32 Q33 A38 K39 Q40G32-T36 PolarHBondContact O-N 2.81Å; G32-T36 PolarHBondContact O-OG1 2.87Å; Q33-T36 WeakPolarHBondContact O-CB 3.3Å; Q33-T36 PolarHBondContact O-N 2.93Å; Q33-T36 VanDerWaalsContact O-N 3.12Å; T36-A38 VanDerWaalsContact C-N 3.32Å; T36-A38 PolarHBondContact O-N 3.03Å; T36-K39 PolarHBondContact O-N 3.16Å; T36-Q40 HydrophobicContact CG2-CG 4.39Å; T36-Q40 WeakPolarHBondContact O-CB 3.37Å; T36-Q40 VanDerWaalsContact O-CG 3.28Å; T36-Q40 WeakPolarHBondContact O-CG 3.49Å; T36-Q40 PolarHBondContact O-N 2.84Å
37E98.3Very high98.3Very high7 Ų743.7 Ų43.73%0.03322%0.224CC..Hα-helixtrans-58.6-41.9176.3-73.1-177.7152.900111.8G12 E13 Q33 Q40 A41 T210 R242G12-E37 VanDerWaalsContact CA-OE2 3.24Å; G12-E37 WeakPolarHBondContact CA-OE2 3.26Å; E13-E37 PolarHBondContact N-OE2 3.16Å; Q33-E37 HydrophobicContact CG-CG 4.46Å; Q33-E37 WeakPolarHBondContact O-CG 3.32Å; Q33-E37 PolarHBondContact O-N 3.37Å; E37-Q40 PolarHBondContact O-N 3.23Å; E37-A41 PolarHBondContact O-N 2.89Å; E37-T210 PolarHBondContact OE1-OG1 2.95Å; E37-T210 VanDerWaalsContact OE1-OG1 3.1Å; E37-T210 WeakPolarHBondContact OE2-CB 3.49Å; E37-T210 PolarHBondContact OE2-OG1 2.85Å; E37-R242 IonicContact OE1-NH2 2.84Å; E37-R242 PolarHBondContact OE1-NH2 2.89Å
38A98.8Very high98.3Very high0 Ų045.8 Ų45.80%024%0.235CC..Hα-helixtrans-64.2-44.1178.200000112.9G34 I35 T36 A41 G42 T66 F69 V70G34-A38 WeakPolarHBondContact O-CB 3.38Å; G34-A38 PolarHBondContact O-N 3.32Å; I35-A38 PolarHBondContact O-N 3.36Å; T36-A38 VanDerWaalsContact C-N 3.32Å; T36-A38 PolarHBondContact O-N 3.03Å; A38-A41 WeakPolarHBondContact O-CB 3.15Å; A38-A41 PolarHBondContact O-N 2.92Å; A38-G42 PolarHBondContact O-N 3.38Å; A38-T66 HydrophobicContact CB-CG2 3.76Å; A38-F69 HydrophobicContact CB-CB 3.83Å; A38-F69 HydrophobicContact CB-CD2 4.06Å; A38-F69 HydrophobicContact CB-CG 4.32Å; A38-V70 WeakPolarHBondContact O-CG2 3.34Å
39K98.8Very high98.3Very high87 Ų8753.8 Ų53.838%0.37827%0.271SS..Hα-helixtrans-65.1-43.4176.7-70.6-179.8176.9-172.90111.8I35 T36 A41 G42 Q43 F69 E73I35-K39 HydrophobicContact CG2-CD 4.5Å; I35-K39 PolarHBondContact O-N 2.99Å; I35-K39 VanDerWaalsContact O-N 3.07Å; T36-K39 PolarHBondContact O-N 3.16Å; K39-A41 VanDerWaalsContact C-N 3.29Å; K39-A41 PolarHBondContact O-N 3.48Å; K39-G42 PolarHBondContact O-N 2.53Å; K39-G42 VanDerWaalsContact O-N 3.16Å; K39-Q43 VanDerWaalsContact O-CG 3.31Å; K39-Q43 WeakPolarHBondContact O-CG 3.41Å; K39-Q43 PolarHBondContact O-N 3.05Å; K39-F69 HydrophobicContact CG-CB 4.2Å; K39-F69 HydrophobicContact CG-CD1 4.1Å; K39-F69 HydrophobicContact CG-CG 4.3Å; K39-E73 HydrophobicContact CB-CG 4.3Å; K39-E73 HydrophobicContact CG-CG 4.47Å
40Q98.3Very high98.3Very high92 Ų9252.2 Ų52.243%0.4326%0.262SS..Hα-helixtrans-58.8-40.8175.5-75173.5-17.700111.8T36 E37 G42 Q43 L44T36-Q40 HydrophobicContact CG2-CG 4.39Å; T36-Q40 WeakPolarHBondContact O-CB 3.37Å; T36-Q40 VanDerWaalsContact O-CG 3.28Å; T36-Q40 WeakPolarHBondContact O-CG 3.49Å; T36-Q40 PolarHBondContact O-N 2.84Å; E37-Q40 PolarHBondContact O-N 3.23Å; Q40-G42 VanDerWaalsContact C-N 3.34Å; Q40-G42 PolarHBondContact O-N 2.98Å; Q40-Q43 PolarHBondContact O-N 2.9Å; Q40-L44 WeakPolarHBondContact O-CB 3.37Å; Q40-L44 VanDerWaalsContact O-CG 3.31Å; Q40-L44 WeakPolarHBondContact O-CG 3.28Å; Q40-L44 PolarHBondContact O-N 3.16Å
41A98.7Very high98.2Very high0 Ų054.5 Ų54.50%028%0.276CS..Hα-helixtrans-58.4-44.9175.400000112.2I9 E37 A38 K39 L44 L45 V70 G211 P213I9-A41 HydrophobicContact CD1-CB 4.26Å; I9-A41 HydrophobicContact CG2-CB 4.37Å; E37-A41 PolarHBondContact O-N 2.89Å; A38-A41 WeakPolarHBondContact O-CB 3.15Å; A38-A41 PolarHBondContact O-N 2.92Å; K39-A41 VanDerWaalsContact C-N 3.29Å; K39-A41 PolarHBondContact O-N 3.48Å; A41-L44 PolarHBondContact O-N 3.06Å; A41-L45 WeakPolarHBondContact O-CG 3.47Å; A41-L45 PolarHBondContact O-N 2.98Å; A41-L45 VanDerWaalsContact O-N 3.08Å; A41-V70 HydrophobicContact CB-CG2 4Å; A41-G211 VanDerWaalsContact CB-O 3.22Å; A41-G211 WeakPolarHBondContact CB-O 3.36Å; A41-P213 HydrophobicContact CB-CG 4.16Å
42G98.8Very high98.3Very high0 Ų054.5 Ų54.50%028%0.276CS..Hα-helixtrans-66-41.3176.500000112.9A38 K39 Q40 L44 L45 R46A38-G42 PolarHBondContact O-N 3.38Å; K39-G42 PolarHBondContact O-N 2.53Å; K39-G42 VanDerWaalsContact O-N 3.16Å; Q40-G42 VanDerWaalsContact C-N 3.34Å; Q40-G42 PolarHBondContact O-N 2.98Å; G42-L44 PolarHBondContact O-N 2.84Å; G42-L45 PolarHBondContact O-N 3.04Å; G42-R46 PolarHBondContact O-N 3.32Å
43Q98.5Very high98.3Very high75 Ų7555.5 Ų55.535%0.3527%0.268SS..Hα-helixtrans-62.3-42.9175.5-68.9165.83.800112K39 Q40 L45 R46 Q47 E73K39-Q43 VanDerWaalsContact O-CG 3.31Å; K39-Q43 WeakPolarHBondContact O-CG 3.41Å; K39-Q43 PolarHBondContact O-N 3.05Å; Q40-Q43 PolarHBondContact O-N 2.9Å; Q43-L45 VanDerWaalsContact C-N 3.34Å; Q43-L45 PolarHBondContact O-N 3.27Å; Q43-R46 PolarHBondContact O-N 3.04Å; Q43-Q47 WeakPolarHBondContact O-CB 3.42Å; Q43-Q47 WeakPolarHBondContact O-CG 3.39Å; Q43-Q47 PolarHBondContact O-N 3.27Å; Q43-E73 HydrophobicContact CG-CG 4.31Å; Q43-E73 PolarHBondContact NE2-OE1 3.2Å
44L98.2Very high98.4Very high45 Ų4552.2 Ų52.224%0.23625%0.253CS..Hα-helixtrans-61.3-42.5175.1-75.3165.4000111.4Q40 A41 G42 Q47 N48 L230Q40-L44 WeakPolarHBondContact O-CB 3.37Å; Q40-L44 VanDerWaalsContact O-CG 3.31Å; Q40-L44 WeakPolarHBondContact O-CG 3.28Å; Q40-L44 PolarHBondContact O-N 3.16Å; A41-L44 PolarHBondContact O-N 3.06Å; G42-L44 PolarHBondContact O-N 2.84Å; L44-Q47 PolarHBondContact O-N 2.88Å; L44-N48 WeakPolarHBondContact O-CB 3.43Å; L44-N48 PolarHBondContact O-N 3.09Å; L44-N48 PolarHBondContact O-ND2 2.99Å; L44-L230 WeakPolarHBondContact CD1-O 3.41Å
45L98.7Very high98.4Very high0 Ų052.2 Ų52.20%025%0.253CS..Hα-helixtrans-63-44.8175.6-75164.7000111.9V7 I9 A41 G42 Q43 N48 H49 F50 F52 V70 L74 P213 L230V7-L45 HydrophobicContact CG1-CD2 4.11Å; V7-L45 HydrophobicContact CG2-CD2 4.46Å; I9-L45 HydrophobicContact CD1-CD1 3.83Å; A41-L45 WeakPolarHBondContact O-CG 3.47Å; A41-L45 PolarHBondContact O-N 2.98Å; A41-L45 VanDerWaalsContact O-N 3.08Å; G42-L45 PolarHBondContact O-N 3.04Å; Q43-L45 VanDerWaalsContact C-N 3.34Å; Q43-L45 PolarHBondContact O-N 3.27Å; L45-N48 CarbonylContact O-C 3.58Å; L45-N48 PolarHBondContact O-N 3.31Å; L45-H49 PolarHBondContact O-N 3.25Å; L45-H49 VanDerWaalsContact O-N 3.15Å; L45-F50 HydrophobicContact CB-CB 4.16Å; L45-F50 HydrophobicContact CD2-CB 3.67Å; L45-F50 HydrophobicContact CD2-CD1 4.14Å; L45-F50 HydrophobicContact CD2-CD2 3.9Å; L45-F50 HydrophobicContact CD2-CG 3.63Å; L45-F50 PolarHBondContact O-N 2.93Å; L45-F52 HydrophobicContact CD1-CE2 4.04Å; L45-F52 HydrophobicContact CD1-CZ 4.24Å; L45-F52 HydrophobicContact CD2-CE2 4.32Å; L45-F52 HydrophobicContact CD2-CZ 3.97Å; L45-V70 HydrophobicContact CD1-CG1 3.89Å; L45-L74 HydrophobicContact CB-CD1 4.22Å; L45-L74 HydrophobicContact CB-CD2 3.84Å; L45-L74 HydrophobicContact CB-CG 4.49Å; L45-L74 HydrophobicContact CD1-CD1 4.26Å; L45-P213 HydrophobicContact CD1-CG 4.12Å; L45-P213 HydrophobicContact CD2-CB 4.16Å; L45-P213 HydrophobicContact CD2-CG 4.32Å; L45-P213 HydrophobicContact CG-CB 4.3Å; L45-P213 HydrophobicContact CG-CG 3.92Å; L45-L230 HydrophobicContact CD2-CD1 3.53Å; L45-L230 HydrophobicContact CG-CD1 4.28Å
46R98.3Very high98.4Very high115 Ų11549.7 Ų49.743%0.43424%0.24SC..Hα-helixtrans-60-47.6176.6-173.3-173.9-86.7144-7111.3G42 Q43 N48 H49 E73 L74G42-R46 PolarHBondContact O-N 3.32Å; Q43-R46 PolarHBondContact O-N 3.04Å; R46-N48 PolarHBondContact O-N 3.35Å; R46-H49 PolarHBondContact O-N 3.21Å; R46-E73 IonicContact CZ-OE2 3.95Å; R46-E73 PolarHBondContact NE-O 3.22Å; R46-E73 PolarHBondContact NH1-O 3.42Å; R46-E73 VanDerWaalsContact NH1-O 3.11Å; R46-E73 IonicContact NH1-OE2 2.96Å; R46-E73 PolarHBondContact NH1-OE2 3.2Å; R46-E73 PolarHBondContact NH2-O 3.21Å; R46-L74 HydrophobicContact CB-CD2 3.91Å
47Q97.7Very high98.4Very high130 Ų13046.9 Ų46.961%0.60722%0.223SC*.Hα-helixtrans-61.4-33.3178.8-73.4167.45.400112.6Q43 L44 H49Q43-Q47 WeakPolarHBondContact O-CB 3.42Å; Q43-Q47 WeakPolarHBondContact O-CG 3.39Å; Q43-Q47 PolarHBondContact O-N 3.27Å; L44-Q47 PolarHBondContact O-N 2.88Å; Q47-H49 VanDerWaalsContact C-N 3.31Å
48N97.7Very high98.5Very high80 Ų8046.6 Ų46.643%0.42822%0.221SC..THydrogen-bonded Turntrans-9314.5177.4-71.6-88.7000113.1L44 L45 R46 F50 L230L44-N48 WeakPolarHBondContact O-CB 3.43Å; L44-N48 PolarHBondContact O-N 3.09Å; L44-N48 PolarHBondContact O-ND2 2.99Å; L45-N48 CarbonylContact O-C 3.58Å; L45-N48 PolarHBondContact O-N 3.31Å; R46-N48 PolarHBondContact O-N 3.35Å; N48-F50 VanDerWaalsContact C-N 3.29Å; N48-F50 HydrophobicContact CB-CD2 3.76Å; N48-F50 HydrophobicContact CB-CE2 3.82Å; N48-F50 WeakPolarHBondContact O-CD2 3Å; N48-F50 PolarHBondContact O-N 3.19Å; N48-L230 HydrophobicContact CB-CD1 4.43Å
49H97.3Very high98.5Very high174 Ų17448 Ų4881%0.80623%0.229SC*.THydrogen-bonded Turntrans57.135175.3-50.6-65.2000114.8L45 R46 Q47L45-H49 PolarHBondContact O-N 3.25Å; L45-H49 VanDerWaalsContact O-N 3.15Å; R46-H49 PolarHBondContact O-N 3.21Å; Q47-H49 VanDerWaalsContact C-N 3.31Å
50F98.2Very high98.5Very high20 Ų2043.8 Ų43.89%0.08821%0.211CC..  trans-78.5141.8170.3-78.2-97.4000110.9V7 L45 N48 F52 V215 L230V7-F50 HydrophobicContact CG2-CD1 3.82Å; V7-F50 HydrophobicContact CG2-CE1 3.76Å; L45-F50 HydrophobicContact CB-CB 4.16Å; L45-F50 HydrophobicContact CD2-CB 3.67Å; L45-F50 HydrophobicContact CD2-CD1 4.14Å; L45-F50 HydrophobicContact CD2-CD2 3.9Å; L45-F50 HydrophobicContact CD2-CG 3.63Å; L45-F50 PolarHBondContact O-N 2.93Å; N48-F50 VanDerWaalsContact C-N 3.29Å; N48-F50 HydrophobicContact CB-CD2 3.76Å; N48-F50 HydrophobicContact CB-CE2 3.82Å; N48-F50 WeakPolarHBondContact O-CD2 3Å; N48-F50 PolarHBondContact O-N 3.19Å; F50-F52 HydrophobicContact CB-CE2 4.34Å; F50-F52 HydrophobicContact CB-CZ 4.21Å; F50-F52 HydrophobicContact CD1-CZ 4.41Å; F50-V215 HydrophobicContact CE1-CG1 3.99Å; F50-V215 HydrophobicContact CE1-CG2 4.03Å; F50-V215 HydrophobicContact CE2-CG2 4.44Å; F50-V215 HydrophobicContact CZ-CB 4.48Å; F50-V215 HydrophobicContact CZ-CG1 3.98Å; F50-V215 HydrophobicContact CZ-CG2 3.65Å; F50-L230 HydrophobicContact CD2-CD1 3.84Å; F50-L230 HydrophobicContact CE2-CD1 3.53Å; F50-L230 HydrophobicContact CE2-CD2 3.93Å; F50-L230 HydrophobicContact CE2-CG 4.36Å; F50-L230 HydrophobicContact CZ-CD1 4.12Å; F50-L230 HydrophobicContact CZ-CD2 4.34Å
51T98.2Very high98.5Very high57 Ų5743 Ų4335%0.3521%0.207SC..  trans-129.3171.2166-1710000108.8Q178T51-Q178 VanDerWaalsContact CG2-OE1 3.27Å; T51-Q178 WeakPolarHBondContact O-CB 3.2Å; T51-Q178 PolarHBondContact O-OE1 2.66Å
52F98.7Very high98.5Very high5 Ų543.1 Ų43.12%0.02221%0.207CC..  trans-143.9141.9-179.4-60.4-72000110.7V7 L45 F50 L74 L76 I79 Q178 L180V7-F52 HydrophobicContact CB-CE1 3.82Å; V7-F52 HydrophobicContact CB-CZ 3.89Å; V7-F52 HydrophobicContact CG1-CZ 4.31Å; V7-F52 HydrophobicContact CG2-CE1 3.68Å; V7-F52 HydrophobicContact CG2-CZ 3.78Å; L45-F52 HydrophobicContact CD1-CE2 4.04Å; L45-F52 HydrophobicContact CD1-CZ 4.24Å; L45-F52 HydrophobicContact CD2-CE2 4.32Å; L45-F52 HydrophobicContact CD2-CZ 3.97Å; F50-F52 HydrophobicContact CB-CE2 4.34Å; F50-F52 HydrophobicContact CB-CZ 4.21Å; F50-F52 HydrophobicContact CD1-CZ 4.41Å; F52-L74 HydrophobicContact CD2-CD1 3.82Å; F52-L74 HydrophobicContact CE2-CD1 3.66Å; F52-L76 HydrophobicContact CB-CD1 4.22Å; F52-L76 HydrophobicContact CD2-CD1 4.17Å; F52-I79 HydrophobicContact CB-CD1 3.86Å; F52-I79 WeakPolarHBondContact O-CG2 3.39Å; F52-Q178 WeakPolarHBondContact CA-O 3.42Å; F52-Q178 HydrophobicContact CD1-CB 4.37Å; F52-L180 HydrophobicContact CB-CB 4.37Å; F52-L180 HydrophobicContact CD1-CB 3.56Å; F52-L180 HydrophobicContact CD2-CB 4.11Å; F52-L180 HydrophobicContact CD2-CD2 4.08Å; F52-L180 HydrophobicContact CE1-CB 3.76Å; F52-L180 HydrophobicContact CE1-CD1 4.31Å; F52-L180 HydrophobicContact CE2-CB 4.31Å; F52-L180 HydrophobicContact CE2-CD1 4.35Å; F52-L180 HydrophobicContact CE2-CD2 4.12Å; F52-L180 HydrophobicContact CE2-CG 4.5Å; F52-L180 HydrophobicContact CG-CB 3.73Å; F52-L180 HydrophobicContact CG-CD2 4.49Å; F52-L180 HydrophobicContact CZ-CB 4.13Å; F52-L180 HydrophobicContact CZ-CD1 4.01Å; F52-L180 HydrophobicContact CZ-CG 4.45Å
53D98.6Very high98.5Very high76 Ų7643.1 Ų43.141%0.40621%0.207SC..SBendtrans-97.2-23174.5-57.4-64.4000111.2P80 E177 Q178D53-P80 WeakPolarHBondContact O-CD 3.39Å; D53-E177 HydrophobicContact CB-CB 4Å; D53-E177 HydrophobicContact CB-CG 4.19Å; D53-E177 WeakPolarHBondContact OD2-CA 3.38Å; D53-Q178 PolarHBondContact N-O 3.46Å; D53-Q178 PolarHBondContact OD2-N 2.91Å
54I98.8Very high98.5Very high18 Ų1841.1 Ų41.19%0.09220%0.198CC..EExtended strand (participates in β ladder)trans-154144.3-178.3-170.6158.7000111.4Y56 P80 E177 Q178 V179 L180I54-Y56 HydrophobicContact CD1-CE1 4.27Å; I54-Y56 HydrophobicContact CD1-CE2 4.27Å; I54-Y56 WeakPolarHBondContact CD1-OH 3.08Å; I54-Y56 HydrophobicContact CG1-CE2 4.11Å; I54-Y56 HydrophobicContact CG2-CE2 4.05Å; I54-P80 HydrophobicContact CG1-CB 4.39Å; I54-E177 HydrophobicContact CG2-CB 4.13Å; I54-Q178 PolarHBondContact N-O 3.04Å; I54-V179 HydrophobicContact CG2-CB 4.41Å; I54-V179 HydrophobicContact CG2-CG1 4.47Å; I54-V179 HydrophobicContact CG2-CG2 3.82Å; I54-L180 PolarHBondContact O-N 2.9Å
55A98.9Very high98.5Very high0 Ų042.7 Ų42.70%020%0.203CC..EExtended strand (participates in β ladder)trans-122.7144.7173.100000113.3L67 I79 P80 V81 T82 L180A55-L67 HydrophobicContact CB-CD1 3.72Å; A55-L67 HydrophobicContact CB-CD2 3.93Å; A55-L67 HydrophobicContact CB-CG 4.45Å; A55-I79 HydrophobicContact CB-CD1 4.14Å; A55-P80 PolarHBondContact N-O 3.14Å; A55-V81 HydrophobicContact CB-CG2 4.31Å; A55-V81 WeakPolarHBondContact O-CA 3.48Å; A55-T82 PolarHBondContact O-N 2.9Å; A55-L180 CarbonylContact C-O 3.49Å; A55-L180 VanDerWaalsContact CA-O 3.28Å; A55-L180 WeakPolarHBondContact CA-O 3.48Å; A55-L180 HydrophobicContact CB-CB 4.23Å
56Y98.9Very high98.6Very high4 Ų442.7 Ų42.72%0.01620%0.203CC..EExtended strand (participates in β ladder)trans-119.6137.5174.8-62.7-74.5000110.8I54 T82 F164 T168 I169 S172 V179 L180 I181 V182I54-Y56 HydrophobicContact CD1-CE1 4.27Å; I54-Y56 HydrophobicContact CD1-CE2 4.27Å; I54-Y56 WeakPolarHBondContact CD1-OH 3.08Å; I54-Y56 HydrophobicContact CG1-CE2 4.11Å; I54-Y56 HydrophobicContact CG2-CE2 4.05Å; Y56-T82 WeakPolarHBondContact CA-O 3.42Å; Y56-T82 HydrophobicContact CD1-CG2 4.06Å; Y56-T82 HydrophobicContact CE1-CG2 4.11Å; Y56-F164 AromaticContact CD1-CE1 3.71Å; Y56-F164 HydrophobicContact CD1-CE1 3.71Å; Y56-F164 AromaticContact CD1-CZ 3.53Å; Y56-F164 HydrophobicContact CD1-CZ 3.53Å; Y56-F164 HydrophobicContact CE1-CE1 4.31Å; Y56-F164 AromaticContact CE1-CZ 3.86Å; Y56-F164 HydrophobicContact CE1-CZ 3.86Å; Y56-F164 HydrophobicContact CG-CE1 4.15Å; Y56-F164 HydrophobicContact CG-CZ 4.41Å; Y56-T168 HydrophobicContact CE1-CG2 3.62Å; Y56-I169 HydrophobicContact CD2-CG1 4.02Å; Y56-I169 HydrophobicContact CE2-CG1 4.13Å; Y56-I169 HydrophobicContact CG-CG1 4.31Å; Y56-S172 PolarHBondContact OH-OG 2.74Å; Y56-V179 HydrophobicContact CD2-CG1 3.61Å; Y56-V179 HydrophobicContact CE2-CG1 3.73Å; Y56-L180 PolarHBondContact N-O 3.43Å; Y56-I181 HydrophobicContact CD2-CG1 4.37Å; Y56-I181 WeakPolarHBondContact O-CA 3.39Å; Y56-V182 PolarHBondContact O-N 2.94Å
57T99Very high98.6Very high0 Ų037.2 Ų37.20%018%0.183CC..EExtended strand (participates in β ladder)trans-147172.7173.6-167.80000112.2I64 L67 V81 T82 K83 T84 V182T57-I64 HydrophobicContact CG2-CG1 3.95Å; T57-L67 HydrophobicContact CG2-CD2 3.84Å; T57-V81 HydrophobicContact CG2-CG1 4.24Å; T57-T82 PolarHBondContact N-O 3.31Å; T57-K83 HydrophobicContact CG2-CG 3.83Å; T57-K83 CarbonylContact O-C 3.55Å; T57-K83 WeakPolarHBondContact O-CA 3.1Å; T57-T84 PolarHBondContact O-N 2.82Å; T57-V182 VanDerWaalsContact CA-O 3.29Å; T57-V182 WeakPolarHBondContact CA-O 3.28Å; T57-V182 VanDerWaalsContact CB-O 3.26Å; T57-V182 WeakPolarHBondContact CB-O 3.29Å; T57-V182 PolarHBondContact OG1-O 3.4Å
58S98.9Very high98.6Very high0 Ų034.3 Ų34.30%017%0.171CC..  trans-75.5-179174.377.60000112.4L60 A63 I64 T84 L87 N88 H184S58-L60 VanDerWaalsContact C-N 3.33Å; S58-L60 PolarHBondContact OG-N 3.5Å; S58-L60 PolarHBondContact OG-O 3.13Å; S58-A63 WeakPolarHBondContact OG-CB 3.36Å; S58-I64 WeakPolarHBondContact O-CG1 3.39Å; S58-T84 VanDerWaalsContact CA-O 3.32Å; S58-T84 WeakPolarHBondContact CA-O 3.06Å; S58-L87 WeakPolarHBondContact CB-O 3.28Å; S58-N88 WeakPolarHBondContact CB-OD1 2.86Å; S58-H184 WeakPolarHBondContact CB-NE2 3.22Å; S58-H184 PolarHBondContact OG-NE2 3.23Å
59V98.7Very high98.7Very high29 Ų2932.8 Ų32.818%0.17616%0.161CC..SBendtrans-93.914.5167.7-59.60000113.4K83 W85 N88 K139 Y140V59-K83 HydrophobicContact CG1-CB 4.28Å; V59-W85 HydrophobicContact CG2-CB 4.23Å; V59-N88 WeakPolarHBondContact CG2-OD1 3.37Å; V59-N88 PolarHBondContact N-OD1 2.96Å; V59-N88 VanDerWaalsContact N-OD1 3.14Å; V59-K139 HydrophobicContact CG2-CD 4.35Å; V59-Y140 HydrophobicContact CG2-CE1 3.51Å
60L98.7Very high98.8Very high0 Ų024.5 Ų24.50%012%0.123CC..SBendtrans-102129.9180-54.8179.6000110.9W25 D27 S58 R62 A63 I64 N88 E89W25-L60 WeakPolarHBondContact O-CD2 3.43Å; D27-L60 WeakPolarHBondContact OD1-CA 3.36Å; S58-L60 VanDerWaalsContact C-N 3.33Å; S58-L60 PolarHBondContact OG-N 3.5Å; S58-L60 PolarHBondContact OG-O 3.13Å; L60-R62 VanDerWaalsContact C-N 3.28Å; L60-R62 PolarHBondContact O-N 3.17Å; L60-R62 VanDerWaalsContact O-N 3.15Å; L60-A63 PolarHBondContact O-N 3.38Å; L60-A63 VanDerWaalsContact O-N 3.07Å; L60-I64 PolarHBondContact O-N 2.87Å; L60-N88 HydrophobicContact CD1-CB 4.08Å; L60-N88 HydrophobicContact CG-CB 4.48Å; L60-E89 HydrophobicContact CD1-CB 4.39Å
61K98.6Very high98.8Very high76 Ų7623.8 Ų23.833%0.3312%0.119SC..Hα-helixtrans-57.2-36.1-167.675.4-17856.7150.50113.5D27 A28 D29 A63 I64 K65D27-K61 VanDerWaalsContact CG-CE 3.5Å; D27-K61 VanDerWaalsContact O-CD 3.28Å; D27-K61 WeakPolarHBondContact O-CD 3.32Å; D27-K61 WeakPolarHBondContact O-CE 3.26Å; D27-K61 PolarHBondContact O-NZ 2.69Å; D27-K61 WeakPolarHBondContact OD1-CG 3.46Å; D27-K61 PolarHBondContact OD1-N 3.1Å; D27-K61 WeakPolarHBondContact OD2-CE 3.29Å; A28-K61 WeakPolarHBondContact O-CG 3.18Å; D29-K61 HydrophobicContact CB-CD 3.96Å; K61-A63 VanDerWaalsContact C-N 3.33Å; K61-A63 PolarHBondContact O-N 3.11Å; K61-I64 PolarHBondContact O-N 3.23Å; K61-K65 VanDerWaalsContact O-CB 3.28Å; K61-K65 WeakPolarHBondContact O-CB 3.46Å; K61-K65 WeakPolarHBondContact O-CG 3.29Å; K61-K65 PolarHBondContact O-N 3.26Å
62R98.7Very high98.8Very high2 Ų225 Ų251%0.00812%0.124CC..Hα-helixtrans-60-40.8178.758.4-172.4180-90.72112.8H11 C23 G24 H26 A28 L30 L60 T66 H184H11-R62 PolarHBondContact NE2-NE 2.94Å; C23-R62 PolarHBondContact SG-NH1 3.23Å; G24-R62 PolarHBondContact O-NH2 2.79Å; H26-R62 PolarHBondContact O-NH1 3.09Å; A28-R62 WeakPolarHBondContact O-CB 3.38Å; L30-R62 HydrophobicContact CD2-CB 3.95Å; L30-R62 HydrophobicContact CG-CB 4.29Å; L60-R62 VanDerWaalsContact C-N 3.28Å; L60-R62 PolarHBondContact O-N 3.17Å; L60-R62 VanDerWaalsContact O-N 3.15Å; R62-T66 WeakPolarHBondContact O-CB 3.32Å; R62-T66 PolarHBondContact O-N 3.44Å; R62-T66 VanDerWaalsContact O-N 3.08Å; R62-T66 PolarHBondContact O-OG1 2.98Å; R62-H184 PolarHBondContact NE-CE1 3.34Å; R62-H184 VanDerWaalsContact NE-CE1 3.3Å; R62-H184 PolarHBondContact NE-ND1 2.95Å; R62-H184 PolarHBondContact NH2-CE1 2.98Å; R62-H184 PolarHBondContact NH2-ND1 3.17Å
63A98.9Very high98.8Very high0 Ų026.6 Ų26.60%013%0.131CC..Hα-helixtrans-76.8-39176.900000111.6H11 S58 L60 K61 T66 L67 V182H11-A63 HydrophobicContact CB-CB 4.27Å; S58-A63 WeakPolarHBondContact OG-CB 3.36Å; L60-A63 PolarHBondContact O-N 3.38Å; L60-A63 VanDerWaalsContact O-N 3.07Å; K61-A63 VanDerWaalsContact C-N 3.33Å; K61-A63 PolarHBondContact O-N 3.11Å; A63-T66 PolarHBondContact O-N 3.35Å; A63-L67 PolarHBondContact O-N 2.94Å; A63-V182 WeakPolarHBondContact O-CG1 3.33Å
64I98.9Very high98.8Very high33 Ų3323.9 Ų23.917%0.16912%0.117CC..Hα-helixtrans-60.6-47.6175.8-63.4165.9000110.6T57 S58 L60 K61 L67 N68 K83T57-I64 HydrophobicContact CG2-CG1 3.95Å; S58-I64 WeakPolarHBondContact O-CG1 3.39Å; L60-I64 PolarHBondContact O-N 2.87Å; K61-I64 PolarHBondContact O-N 3.23Å; I64-L67 WeakPolarHBondContact O-CB 3.35Å; I64-L67 PolarHBondContact O-N 3.07Å; I64-N68 VanDerWaalsContact O-CG 3.25Å; I64-N68 PolarHBondContact O-N 2.77Å; I64-N68 PolarHBondContact O-OD1 2.81Å; I64-K83 HydrophobicContact CD1-CD 4.05Å; I64-K83 HydrophobicContact CG1-CD 4.31Å
65K98.9Very high98.8Very high78 Ų7828.8 Ų28.834%0.33914%0.143SC..Hα-helixtrans-66.3-40.4178.2-74.6-178.3171.3-170.50112D29 L30 K61 L67 N68 F69D29-K65 WeakPolarHBondContact OD1-CD 3.15Å; D29-K65 WeakPolarHBondContact OD1-CE 3.38Å; D29-K65 IonicContact OD1-NZ 3.48Å; D29-K65 PolarHBondContact OD1-NZ 3.13Å; D29-K65 IonicContact OD2-NZ 3.38Å; D29-K65 PolarHBondContact OD2-NZ 3.19Å; L30-K65 HydrophobicContact CD1-CB 3.81Å; L30-K65 HydrophobicContact CG-CB 4.5Å; K61-K65 VanDerWaalsContact O-CB 3.28Å; K61-K65 WeakPolarHBondContact O-CB 3.46Å; K61-K65 WeakPolarHBondContact O-CG 3.29Å; K61-K65 PolarHBondContact O-N 3.26Å; K65-L67 VanDerWaalsContact C-N 3.29Å; K65-L67 PolarHBondContact O-N 2.9Å; K65-N68 PolarHBondContact O-N 2.84Å; K65-F69 HydrophobicContact CB-CE2 4.41Å; K65-F69 WeakPolarHBondContact O-CD2 3.28Å; K65-F69 PolarHBondContact O-N 3.06Å
66T98.9Very high98.8Very high0 Ų029.5 Ų29.50%015%0.147CC..Hα-helixtrans-57.3-46.2172.1-64.70000110.6I9 G12 A38 R62 A63 N68 F69 V70 V182I9-T66 HydrophobicContact CG2-CG2 4.22Å; G12-T66 PolarHBondContact N-OG1 2.95Å; A38-T66 HydrophobicContact CB-CG2 3.76Å; R62-T66 WeakPolarHBondContact O-CB 3.32Å; R62-T66 PolarHBondContact O-N 3.44Å; R62-T66 VanDerWaalsContact O-N 3.08Å; R62-T66 PolarHBondContact O-OG1 2.98Å; A63-T66 PolarHBondContact O-N 3.35Å; T66-N68 PolarHBondContact O-N 3.48Å; T66-F69 PolarHBondContact O-N 3.15Å; T66-V70 HydrophobicContact CG2-CG2 4.38Å; T66-V70 VanDerWaalsContact O-CG2 3.29Å; T66-V70 WeakPolarHBondContact O-CG2 3.46Å; T66-V70 PolarHBondContact O-N 3.05Å; T66-V182 HydrophobicContact CG2-CG1 3.62Å
67L98.9Very high98.8Very high0 Ų033.2 Ų33.20%017%0.167CC..Hα-helixtrans-58.3-48.2176.4175.961.5000111.4A55 T57 A63 I64 K65 F69 V70 L71 V81 L180 V182A55-L67 HydrophobicContact CB-CD1 3.72Å; A55-L67 HydrophobicContact CB-CD2 3.93Å; A55-L67 HydrophobicContact CB-CG 4.45Å; T57-L67 HydrophobicContact CG2-CD2 3.84Å; A63-L67 PolarHBondContact O-N 2.94Å; I64-L67 WeakPolarHBondContact O-CB 3.35Å; I64-L67 PolarHBondContact O-N 3.07Å; K65-L67 VanDerWaalsContact C-N 3.29Å; K65-L67 PolarHBondContact O-N 2.9Å; L67-F69 PolarHBondContact O-N 3.34Å; L67-V70 WeakPolarHBondContact O-CB 3.37Å; L67-V70 PolarHBondContact O-N 3.13Å; L67-V70 VanDerWaalsContact O-N 3.11Å; L67-L71 HydrophobicContact CD1-CD1 3.88Å; L67-L71 HydrophobicContact CD1-CD2 4.15Å; L67-L71 HydrophobicContact CD1-CG 3.78Å; L67-L71 HydrophobicContact CD2-CD1 4.46Å; L67-L71 HydrophobicContact CG-CD1 3.89Å; L67-L71 HydrophobicContact CG-CG 4.17Å; L67-L71 WeakPolarHBondContact O-CG 3.45Å; L67-L71 PolarHBondContact O-N 3.47Å; L67-V81 HydrophobicContact CD2-CG1 3.54Å; L67-V81 HydrophobicContact CD2-CG2 4.21Å; L67-L180 HydrophobicContact CD1-CD2 3.55Å; L67-L180 HydrophobicContact CD1-CG 4.26Å; L67-V182 HydrophobicContact CB-CB 3.94Å; L67-V182 HydrophobicContact CB-CG1 4.27Å; L67-V182 HydrophobicContact CB-CG2 3.91Å; L67-V182 HydrophobicContact CD1-CB 4.45Å; L67-V182 HydrophobicContact CD1-CG2 3.68Å; L67-V182 HydrophobicContact CG-CG2 4.36Å
68N98.9Very high98.8Very high69 Ų6942.6 Ų42.637%0.36920%0.203SC..Hα-helixtrans-59-46.8-179.3-65.8-2.6000111.7I64 K65 T66 V70 L71 D72I64-N68 VanDerWaalsContact O-CG 3.25Å; I64-N68 PolarHBondContact O-N 2.77Å; I64-N68 PolarHBondContact O-OD1 2.81Å; K65-N68 PolarHBondContact O-N 2.84Å; T66-N68 PolarHBondContact O-N 3.48Å; N68-V70 VanDerWaalsContact C-N 3.29Å; N68-V70 PolarHBondContact O-N 2.7Å; N68-L71 PolarHBondContact O-N 2.9Å; N68-D72 WeakPolarHBondContact O-CB 3.37Å; N68-D72 PolarHBondContact O-N 2.83Å
69F98.9Very high98.8Very high48 Ų4842.9 Ų42.921%0.21120%0.204CC..Hα-helixtrans-61.7-36.7175.7-73.4-59000112.8L30 I35 A38 K39 K65 T66 L67 E73L30-F69 HydrophobicContact CD1-CD2 4.29Å; L30-F69 HydrophobicContact CD1-CE2 4.25Å; I35-F69 HydrophobicContact CB-CE2 4.3Å; I35-F69 HydrophobicContact CG1-CE2 3.91Å; I35-F69 HydrophobicContact CG1-CZ 4.24Å; I35-F69 HydrophobicContact CG2-CD2 4.38Å; I35-F69 HydrophobicContact CG2-CE1 4.09Å; I35-F69 HydrophobicContact CG2-CE2 3.84Å; I35-F69 HydrophobicContact CG2-CZ 3.67Å; A38-F69 HydrophobicContact CB-CB 3.83Å; A38-F69 HydrophobicContact CB-CD2 4.06Å; A38-F69 HydrophobicContact CB-CG 4.32Å; K39-F69 HydrophobicContact CG-CB 4.2Å; K39-F69 HydrophobicContact CG-CD1 4.1Å; K39-F69 HydrophobicContact CG-CG 4.3Å; K65-F69 HydrophobicContact CB-CE2 4.41Å; K65-F69 WeakPolarHBondContact O-CD2 3.28Å; K65-F69 PolarHBondContact O-N 3.06Å; T66-F69 PolarHBondContact O-N 3.15Å; L67-F69 PolarHBondContact O-N 3.34Å; F69-E73 WeakPolarHBondContact O-CB 3.13Å; F69-E73 VanDerWaalsContact O-CG 3.27Å; F69-E73 WeakPolarHBondContact O-CG 3.46Å; F69-E73 PolarHBondContact O-N 3.25Å; F69-E73 VanDerWaalsContact O-N 3.08Å
70V98.9Very high98.8Very high0 Ų045.2 Ų45.20%022%0.22CC..Hα-helixtrans-66-43.6175.2168.50000111.1I9 A38 A41 L45 T66 L67 N68 E73 L74 L180I9-V70 HydrophobicContact CD1-CG1 4.08Å; I9-V70 HydrophobicContact CD1-CG2 3.9Å; A38-V70 WeakPolarHBondContact O-CG2 3.34Å; A41-V70 HydrophobicContact CB-CG2 4Å; L45-V70 HydrophobicContact CD1-CG1 3.89Å; T66-V70 HydrophobicContact CG2-CG2 4.38Å; T66-V70 VanDerWaalsContact O-CG2 3.29Å; T66-V70 WeakPolarHBondContact O-CG2 3.46Å; T66-V70 PolarHBondContact O-N 3.05Å; L67-V70 WeakPolarHBondContact O-CB 3.37Å; L67-V70 PolarHBondContact O-N 3.13Å; L67-V70 VanDerWaalsContact O-N 3.11Å; N68-V70 VanDerWaalsContact C-N 3.29Å; N68-V70 PolarHBondContact O-N 2.7Å; V70-E73 CarbonylContact O-C 3.58Å; V70-E73 PolarHBondContact O-N 3.41Å; V70-L74 HydrophobicContact CG1-CD1 3.85Å; V70-L74 VanDerWaalsContact O-CG 3.32Å; V70-L74 WeakPolarHBondContact O-CG 3.41Å; V70-L74 PolarHBondContact O-N 3.43Å; V70-L74 VanDerWaalsContact O-N 3.13Å; V70-L180 HydrophobicContact CG1-CD2 3.92Å
71L98.9Very high98.8Very high4 Ų447.3 Ų47.32%0.02123%0.233CC..Hα-helixtrans-69.2-37.4179.2-65.5-179.9000112.4L67 N68 E73 L74 D75 L76 I79 V81 L180L67-L71 HydrophobicContact CD1-CD1 3.88Å; L67-L71 HydrophobicContact CD1-CD2 4.15Å; L67-L71 HydrophobicContact CD1-CG 3.78Å; L67-L71 HydrophobicContact CD2-CD1 4.46Å; L67-L71 HydrophobicContact CG-CD1 3.89Å; L67-L71 HydrophobicContact CG-CG 4.17Å; L67-L71 WeakPolarHBondContact O-CG 3.45Å; L67-L71 PolarHBondContact O-N 3.47Å; N68-L71 PolarHBondContact O-N 2.9Å; L71-E73 VanDerWaalsContact C-N 3.33Å; L71-L74 CarbonylContact O-C 3.6Å; L71-L74 PolarHBondContact O-N 3.3Å; L71-L74 VanDerWaalsContact O-N 3.09Å; L71-D75 PolarHBondContact O-N 3.46Å; L71-L76 HydrophobicContact CD2-CB 3.99Å; L71-L76 PolarHBondContact O-N 3.05Å; L71-I79 HydrophobicContact CD1-CG1 4.4Å; L71-I79 HydrophobicContact CD2-CD1 3.65Å; L71-I79 HydrophobicContact CD2-CG1 4.2Å; L71-V81 HydrophobicContact CD1-CG2 4Å; L71-L180 HydrophobicContact CD2-CD2 4.29Å
72D98.8Very high98.8Very high84 Ų8446.3 Ų46.345%0.44923%0.233SC..Hα-helixtrans-57.5-47.3170.1-75.3-31.2000110.7N68 L74 D75 N77N68-D72 WeakPolarHBondContact O-CB 3.37Å; N68-D72 PolarHBondContact O-N 2.83Å; D72-L74 PolarHBondContact O-N 3.12Å; D72-L74 VanDerWaalsContact O-N 3.16Å; D72-D75 PolarHBondContact O-N 3.49Å; D72-N77 PolarHBondContact OD1-ND2 2.94Å; D72-N77 PolarHBondContact OD1-OD1 2.88Å
73E98.7Very high98.8Very high37 Ų3751.4 Ų51.417%0.17326%0.255CS..THydrogen-bonded Turntrans-731.5176.9-70.6-71.8-170.200114K39 Q43 R46 F69 V70 L71K39-E73 HydrophobicContact CB-CG 4.3Å; K39-E73 HydrophobicContact CG-CG 4.47Å; Q43-E73 HydrophobicContact CG-CG 4.31Å; Q43-E73 PolarHBondContact NE2-OE1 3.2Å; R46-E73 IonicContact CZ-OE2 3.95Å; R46-E73 PolarHBondContact NE-O 3.22Å; R46-E73 PolarHBondContact NH1-O 3.42Å; R46-E73 VanDerWaalsContact NH1-O 3.11Å; R46-E73 IonicContact NH1-OE2 2.96Å; R46-E73 PolarHBondContact NH1-OE2 3.2Å; R46-E73 PolarHBondContact NH2-O 3.21Å; F69-E73 WeakPolarHBondContact O-CB 3.13Å; F69-E73 VanDerWaalsContact O-CG 3.27Å; F69-E73 WeakPolarHBondContact O-CG 3.46Å; F69-E73 PolarHBondContact O-N 3.25Å; F69-E73 VanDerWaalsContact O-N 3.08Å; V70-E73 CarbonylContact O-C 3.58Å; V70-E73 PolarHBondContact O-N 3.41Å; L71-E73 VanDerWaalsContact C-N 3.33Å
74L98.7Very high98.8Very high20 Ų2052.2 Ų52.211%0.10526%0.26CS..THydrogen-bonded Turntrans-117.9-7171.9-69.4168.5000112.6L45 R46 F52 V70 L71 D72 L76L45-L74 HydrophobicContact CB-CD1 4.22Å; L45-L74 HydrophobicContact CB-CD2 3.84Å; L45-L74 HydrophobicContact CB-CG 4.49Å; L45-L74 HydrophobicContact CD1-CD1 4.26Å; R46-L74 HydrophobicContact CB-CD2 3.91Å; F52-L74 HydrophobicContact CD2-CD1 3.82Å; F52-L74 HydrophobicContact CE2-CD1 3.66Å; V70-L74 HydrophobicContact CG1-CD1 3.85Å; V70-L74 VanDerWaalsContact O-CG 3.32Å; V70-L74 WeakPolarHBondContact O-CG 3.41Å; V70-L74 PolarHBondContact O-N 3.43Å; V70-L74 VanDerWaalsContact O-N 3.13Å; L71-L74 CarbonylContact O-C 3.6Å; L71-L74 PolarHBondContact O-N 3.3Å; L71-L74 VanDerWaalsContact O-N 3.09Å; D72-L74 PolarHBondContact O-N 3.12Å; D72-L74 VanDerWaalsContact O-N 3.16Å; L74-L76 VanDerWaalsContact C-N 3.27Å; L74-L76 HydrophobicContact CB-CB 4.16Å; L74-L76 HydrophobicContact CB-CD1 3.89Å; L74-L76 HydrophobicContact CB-CG 3.86Å; L74-L76 HydrophobicContact CD1-CD1 4.35Å
75D98.6Very high98.8Very high121 Ų12152.2 Ų52.265%0.64726%0.258SS*.THydrogen-bonded Turntrans5641.2-167.9-162.529.7000112.8L71 D72 W78L71-D75 PolarHBondContact O-N 3.46Å; D72-D75 PolarHBondContact O-N 3.49Å; D75-W78 PolarHBondContact O-NE1 3.35Å
76L98.7Very high98.8Very high14 Ų1451.9 Ų51.97%0.07326%0.255CS..  trans-119.524.2-175.7-68.2-176.6000113.1F52 L71 L74 W78 I79F52-L76 HydrophobicContact CB-CD1 4.22Å; F52-L76 HydrophobicContact CD2-CD1 4.17Å; L71-L76 HydrophobicContact CD2-CB 3.99Å; L71-L76 PolarHBondContact O-N 3.05Å; L74-L76 VanDerWaalsContact C-N 3.27Å; L74-L76 HydrophobicContact CB-CB 4.16Å; L74-L76 HydrophobicContact CB-CD1 3.89Å; L74-L76 HydrophobicContact CB-CG 3.86Å; L74-L76 HydrophobicContact CD1-CD1 4.35Å; L76-W78 HydrophobicContact CD2-CZ2 4.1Å; L76-W78 PolarHBondContact O-N 3.17Å; L76-I79 HydrophobicContact CB-CD1 4.5Å; L76-I79 HydrophobicContact CB-CG2 4.04Å; L76-I79 HydrophobicContact CD2-CG2 4.22Å; L76-I79 WeakPolarHBondContact O-CG1 3.34Å; L76-I79 WeakPolarHBondContact O-CG2 3.28Å; L76-I79 PolarHBondContact O-N 3.43Å; L76-I79 VanDerWaalsContact O-N 3.16Å
77N98.5Very high98.8Very high83 Ų8351.9 Ų51.944%0.44426%0.255SS..THydrogen-bonded Turntrans-60.8-17.3-179.5-74.6-50.3000114.9D72D72-N77 PolarHBondContact OD1-ND2 2.94Å; D72-N77 PolarHBondContact OD1-OD1 2.88Å
78W98.6Very high98.8Very high196 Ų19651.9 Ų51.974%0.74226%0.255SS*.THydrogen-bonded Turntrans-85.3-11.3-178.359.1-92.2000113.5D75 L76D75-W78 PolarHBondContact O-NE1 3.35Å; L76-W78 HydrophobicContact CD2-CZ2 4.1Å; L76-W78 PolarHBondContact O-N 3.17Å
79I98.7Very high98.7Very high6 Ų649.3 Ų49.33%0.03124%0.241CC..SBendtrans-69.7151.4-177.376.2177.2000110.8F52 A55 L71 L76 V81F52-I79 HydrophobicContact CB-CD1 3.86Å; F52-I79 WeakPolarHBondContact O-CG2 3.39Å; A55-I79 HydrophobicContact CB-CD1 4.14Å; L71-I79 HydrophobicContact CD1-CG1 4.4Å; L71-I79 HydrophobicContact CD2-CD1 3.65Å; L71-I79 HydrophobicContact CD2-CG1 4.2Å; L76-I79 HydrophobicContact CB-CD1 4.5Å; L76-I79 HydrophobicContact CB-CG2 4.04Å; L76-I79 HydrophobicContact CD2-CG2 4.22Å; L76-I79 WeakPolarHBondContact O-CG1 3.34Å; L76-I79 WeakPolarHBondContact O-CG2 3.28Å; L76-I79 PolarHBondContact O-N 3.43Å; L76-I79 VanDerWaalsContact O-N 3.16Å; I79-V81 PolarHBondContact O-N 3.41Å
80P98.7Very high98.7Very high78 Ų7847.1 Ų47.151%0.50623%0.231SC..  trans-56.6132.3172.8-25.134000112.7D53 I54 A55D53-P80 WeakPolarHBondContact O-CD 3.39Å; I54-P80 HydrophobicContact CG1-CB 4.39Å; A55-P80 PolarHBondContact N-O 3.14Å
81V98.9Very high98.6Very high44 Ų4447.1 Ų47.127%0.26723%0.231SC..EExtended strand (participates in β ladder)trans-122.2117.5175.1179.80000110.4A55 T57 L67 L71 I79 K83A55-V81 HydrophobicContact CB-CG2 4.31Å; A55-V81 WeakPolarHBondContact O-CA 3.48Å; T57-V81 HydrophobicContact CG2-CG1 4.24Å; L67-V81 HydrophobicContact CD2-CG1 3.54Å; L67-V81 HydrophobicContact CD2-CG2 4.21Å; L71-V81 HydrophobicContact CD1-CG2 4Å; I79-V81 PolarHBondContact O-N 3.41Å; V81-K83 HydrophobicContact CG1-CG 4.37Å
82T98.8Very high98.5Very high56 Ų5648.2 Ų48.234%0.34424%0.235SC..EExtended strand (participates in β ladder)trans-100.2126.3173.2-63.30000110.7A55 Y56 T57 F164A55-T82 PolarHBondContact O-N 2.9Å; Y56-T82 WeakPolarHBondContact CA-O 3.42Å; Y56-T82 HydrophobicContact CD1-CG2 4.06Å; Y56-T82 HydrophobicContact CE1-CG2 4.11Å; T57-T82 PolarHBondContact N-O 3.31Å; T82-F164 HydrophobicContact CG2-CE2 4.47Å; T82-F164 HydrophobicContact CG2-CZ 4.06Å
83K98.8Very high98.5Very high108 Ų10844.2 Ų44.247%0.4721%0.214SC..EExtended strand (participates in β ladder)trans-106.2134.5177.3-55.1-177.3179.967.20109.6T57 V59 I64 V81T57-K83 HydrophobicContact CG2-CG 3.83Å; T57-K83 CarbonylContact O-C 3.55Å; T57-K83 WeakPolarHBondContact O-CA 3.1Å; V59-K83 HydrophobicContact CG1-CB 4.28Å; I64-K83 HydrophobicContact CD1-CD 4.05Å; I64-K83 HydrophobicContact CG1-CD 4.31Å; V81-K83 HydrophobicContact CG1-CG 4.37Å
84T98.7Very high98.4Very high18 Ų1843.9 Ų43.911%0.1122%0.217CC..  trans-147.1140179.3-178.60000113T57 S58 R86 L87 F164T57-T84 PolarHBondContact O-N 2.82Å; S58-T84 VanDerWaalsContact CA-O 3.32Å; S58-T84 WeakPolarHBondContact CA-O 3.06Å; T84-R86 HydrophobicContact CG2-CB 4.26Å; T84-R86 PolarHBondContact O-N 2.62Å; T84-R86 PolarHBondContact OG1-N 2.81Å; T84-L87 HydrophobicContact CG2-CB 4.01Å; T84-L87 HydrophobicContact CG2-CD1 3.9Å; T84-L87 HydrophobicContact CG2-CG 3.71Å; T84-L87 PolarHBondContact O-N 2.83Å; T84-F164 HydrophobicContact CG2-CD1 3.83Å; T84-F164 HydrophobicContact CG2-CD2 4.13Å; T84-F164 HydrophobicContact CG2-CE1 3.59Å; T84-F164 HydrophobicContact CG2-CE2 3.9Å; T84-F164 HydrophobicContact CG2-CG 4.1Å; T84-F164 HydrophobicContact CG2-CZ 3.63Å
85W98.6Very high98.2Very high33 Ų3343.1 Ų43.113%0.12521%0.213CC..G310 helixtrans-62.9-24.4172.872.3-90.8000112.2W25 V59 L87 N88 Y140 L143 C147 R160W25-W85 HydrophobicContact CH2-CB 4.32Å; W25-W85 HydrophobicContact CH2-CD2 4.4Å; W25-W85 AromaticContact CH2-CE3 3.61Å; W25-W85 HydrophobicContact CH2-CE3 3.61Å; W25-W85 HydrophobicContact CH2-CZ3 4.28Å; W25-W85 AromaticContact CZ2-CE3 3.93Å; W25-W85 HydrophobicContact CZ2-CE3 3.93Å; W25-W85 HydrophobicContact CZ2-CZ3 4.48Å; V59-W85 HydrophobicContact CG2-CB 4.23Å; W85-L87 PolarHBondContact O-N 3.35Å; W85-L87 VanDerWaalsContact O-N 3.13Å; W85-N88 WeakPolarHBondContact O-CB 3.31Å; W85-N88 VanDerWaalsContact O-CG 3.28Å; W85-N88 PolarHBondContact O-N 2.85Å; W85-Y140 HydrophobicContact CB-CD1 4.23Å; W85-Y140 HydrophobicContact CB-CE1 3.93Å; W85-L143 HydrophobicContact CB-CD1 4.27Å; W85-L143 HydrophobicContact CD2-CD1 3.93Å; W85-L143 HydrophobicContact CG-CD1 3.67Å; W85-L143 HydrophobicContact CG-CD2 4.43Å; W85-L143 VanDerWaalsContact NE1-CD2 3.3Å; W85-C147 HydrophobicContact CH2-CB 3.85Å; W85-C147 HydrophobicContact CZ2-CB 3.79Å; W85-C147 WeakPolarHBondContact CZ3-O 3.39Å; W85-R160 HydrophobicContact CH2-CB 4.14Å; W85-R160 HydrophobicContact CZ3-CB 4.08Å; W85-R160 HydrophobicContact CZ3-CG 4.38Å
86R98.7Very high98.1Very high70 Ų7037.5 Ų37.526%0.26418%0.183SC..G310 helixtrans-62-21.1177-69.2-177.2175-87.32.3112.6T84 R160 V161 F164T84-R86 HydrophobicContact CG2-CB 4.26Å; T84-R86 PolarHBondContact O-N 2.62Å; T84-R86 PolarHBondContact OG1-N 2.81Å; R86-R160 WeakPolarHBondContact CD-O 3.42Å; R86-R160 WeakPolarHBondContact CG-O 3.31Å; R86-R160 PolarHBondContact NH1-O 3.36Å; R86-R160 PolarHBondContact O-NH1 3.04Å; R86-V161 WeakPolarHBondContact O-CG2 3.5Å; R86-F164 HydrophobicContact CB-CB 4.07Å; R86-F164 HydrophobicContact CB-CG 4.49Å
87L98.9Very high97.8Very high0 Ų037.6 Ų37.60%019%0.187CC..G310 helixtrans-97.17.7173.4-71178.9000113.6S58 T84 W85 F164 I181 A183 H184 S187S58-L87 WeakPolarHBondContact CB-O 3.28Å; T84-L87 HydrophobicContact CG2-CB 4.01Å; T84-L87 HydrophobicContact CG2-CD1 3.9Å; T84-L87 HydrophobicContact CG2-CG 3.71Å; T84-L87 PolarHBondContact O-N 2.83Å; W85-L87 PolarHBondContact O-N 3.35Å; W85-L87 VanDerWaalsContact O-N 3.13Å; L87-F164 HydrophobicContact CD1-CD1 4.14Å; L87-F164 HydrophobicContact CD1-CE1 3.84Å; L87-F164 HydrophobicContact CD2-CD1 4.39Å; L87-F164 HydrophobicContact CG-CD1 4.05Å; L87-F164 HydrophobicContact CG-CE1 4.23Å; L87-I181 HydrophobicContact CD1-CG2 4.04Å; L87-A183 HydrophobicContact CB-CB 4.49Å; L87-H184 PolarHBondContact O-CD2 3.29Å; L87-S187 PolarHBondContact O-OG 3.34Å
88N98.8Very high97.6Very high0 Ų037 Ų370%018%0.183CC..SBendtrans-62.2158.9174.1-74.9-1.5000112W25 S58 V59 L60 W85 Y140 R160W25-N88 HydrophobicContact CD2-CB 4.29Å; W25-N88 HydrophobicContact CZ2-CB 3.97Å; S58-N88 WeakPolarHBondContact CB-OD1 2.86Å; V59-N88 WeakPolarHBondContact CG2-OD1 3.37Å; V59-N88 PolarHBondContact N-OD1 2.96Å; V59-N88 VanDerWaalsContact N-OD1 3.14Å; L60-N88 HydrophobicContact CD1-CB 4.08Å; L60-N88 HydrophobicContact CG-CB 4.48Å; W85-N88 WeakPolarHBondContact O-CB 3.31Å; W85-N88 VanDerWaalsContact O-CG 3.28Å; W85-N88 PolarHBondContact O-N 2.85Å; N88-Y140 PolarHBondContact ND2-OH 2.9Å; N88-R160 PolarHBondContact O-NH1 3.4Å; N88-R160 PolarHBondContact O-NH2 2.96Å
89E98.4Very high97.4Very high16 Ų1628.9 Ų28.98%0.07516%0.155CC..PPolyproline II helixtrans-57.4161.2168.1-17353.5-71.300111.7W25 L60 M91 R160 H184 G185 N186W25-E89 PolarHBondContact NE1-O 2.72Å; L60-E89 HydrophobicContact CD1-CB 4.39Å; E89-M91 PolarHBondContact O-N 2.83Å; E89-R160 PolarHBondContact O-NH2 2.94Å; E89-H184 HydrophobicContact CB-CB 3.68Å; E89-H184 HydrophobicContact CG-CB 4.17Å; E89-H184 PolarHBondContact N-CD2 3.3Å; E89-G185 PolarHBondContact OE2-N 3.11Å; E89-N186 WeakPolarHBondContact OE1-CB 3.21Å; E89-N186 PolarHBondContact OE1-N 2.95Å; E89-N186 PolarHBondContact OE1-ND2 3.33Å
90R98Very high97Very high2 Ų229.4 Ų29.41%0.00816%0.157CC..PPolyproline II helixtrans-54.6128.5169177.3-178.8174.2175.61.9110.9G24 Y92 W115 I121 E152 N186G24-R90 VanDerWaalsContact CA-O 3.23Å; G24-R90 WeakPolarHBondContact CA-O 3.37Å; R90-Y92 PolarHBondContact O-N 3.48Å; R90-W115 VanDerWaalsContact CZ-O 3.27Å; R90-W115 PolarHBondContact NH1-O 3.39Å; R90-W115 PolarHBondContact NH2-O 3.42Å; R90-I121 PolarHBondContact NH2-O 3.06Å; R90-E152 HydrophobicContact CG-CB 3.96Å; R90-E152 PolarHBondContact NE-O 2.7Å; R90-E152 PolarHBondContact NH2-O 3.13Å; R90-N186 HydrophobicContact CB-CB 3.83Å
91M97.8Very high96.5Very high0 Ų027.2 Ų27.20%014%0.143CC..  trans-67.5112.9173.4-177.462.8-177.200110.5W25 E89 G93 Q96 V126 P134 P149 E152W25-M91 HydrophobicContact CB-SD 3.69Å; W25-M91 HydrophobicContact CD2-SD 4.32Å; W25-M91 HydrophobicContact CG-CB 4.45Å; W25-M91 HydrophobicContact CG-SD 3.73Å; E89-M91 PolarHBondContact O-N 2.83Å; M91-G93 PolarHBondContact O-N 2.64Å; M91-Q96 VanDerWaalsContact CE-NE2 3.34Å; M91-Q96 VanDerWaalsContact SD-CD 3.59Å; M91-Q96 PolarHBondContact SD-OE1 2.99Å; M91-V126 HydrophobicContact CE-CG1 3.82Å; M91-P134 HydrophobicContact CE-CG 3.6Å; M91-P134 HydrophobicContact SD-CG 3.87Å; M91-P149 HydrophobicContact CB-CB 3.98Å; M91-P149 HydrophobicContact CB-CG 3.75Å; M91-P149 HydrophobicContact CG-CB 4.05Å; M91-P149 HydrophobicContact CG-CG 3.92Å; M91-E152 HydrophobicContact CB-CB 4.01Å; M91-E152 HydrophobicContact CB-CG 3.77Å; M91-E152 PolarHBondContact N-OE2 2.71Å; M91-E152 PolarHBondContact O-N 3.38Å
92Y97Very high96.2Very high27 Ų2731.1 Ų31.111%0.10616%0.159CC..  trans-83.47.7-178.4-82.3-69.2000113.9F22 R90 A94 L95 P123F22-Y92 HydrophobicContact CB-CG 4.37Å; F22-Y92 AromaticContact CD1-CD1 3.79Å; F22-Y92 HydrophobicContact CD1-CD1 3.79Å; F22-Y92 HydrophobicContact CD1-CD2 4.39Å; F22-Y92 HydrophobicContact CD1-CE1 4.01Å; F22-Y92 HydrophobicContact CD1-CG 4.01Å; F22-Y92 HydrophobicContact CE1-CD1 4.29Å; F22-Y92 HydrophobicContact CE1-CE1 4.28Å; R90-Y92 PolarHBondContact O-N 3.48Å; Y92-A94 PolarHBondContact O-N 3.09Å; Y92-L95 WeakPolarHBondContact O-CB 3.39Å; Y92-L95 PolarHBondContact O-N 3.02Å; Y92-L95 VanDerWaalsContact O-N 3.13Å; Y92-P123 HydrophobicContact CD1-CG 3.99Å; Y92-P123 WeakPolarHBondContact O-CB 3.3Å
93G97.1Very high95.9Very high0 Ų028.8 Ų28.80%014%0.144CC..G310 helixtrans54.4-133.3177.900000113.2M91 L95 Q96 P124 R150M91-G93 PolarHBondContact O-N 2.64Å; G93-L95 PolarHBondContact O-N 3.13Å; G93-L95 VanDerWaalsContact O-N 3.11Å; G93-Q96 VanDerWaalsContact O-CG 3.32Å; G93-Q96 WeakPolarHBondContact O-CG 3.46Å; G93-Q96 PolarHBondContact O-N 3.09Å; G93-Q96 VanDerWaalsContact O-N 3.15Å; G93-P124 WeakPolarHBondContact CA-O 3.26Å; G93-R150 WeakPolarHBondContact CA-O 3.28Å
94A96.4Very high95.5Very high29 Ų2924.4 Ų24.424%0.2413%0.128CC..G310 helixtrans-63.8-16.6-178.400000113.6Y92 Q96 P124 R132Y92-A94 PolarHBondContact O-N 3.09Å; A94-Q96 VanDerWaalsContact C-N 3.27Å; A94-Q96 PolarHBondContact O-N 3.07Å; A94-P124 HydrophobicContact CB-CB 4.26Å; A94-P124 PolarHBondContact N-O 3.09Å; A94-R132 PolarHBondContact O-NH1 3.43Å
95L95.6Very high95.1Very high4 Ų427.9 Ų27.92%0.02116%0.159CC..G310 helixtrans-72.9-18.9177.5-54.6-174.1000112.8F22 Y92 G93 G97 L98 T103 W115 P123F22-L95 HydrophobicContact CB-CB 4.24Å; F22-L95 WeakPolarHBondContact CB-O 3.41Å; F22-L95 HydrophobicContact CD1-CB 4.46Å; F22-L95 HydrophobicContact CD2-CB 3.91Å; F22-L95 HydrophobicContact CE1-CD1 4.2Å; F22-L95 HydrophobicContact CE2-CB 4.35Å; F22-L95 HydrophobicContact CE2-CD1 4.26Å; F22-L95 HydrophobicContact CG-CB 3.97Å; F22-L95 HydrophobicContact CZ-CD1 4.07Å; Y92-L95 WeakPolarHBondContact O-CB 3.39Å; Y92-L95 PolarHBondContact O-N 3.02Å; Y92-L95 VanDerWaalsContact O-N 3.13Å; G93-L95 PolarHBondContact O-N 3.13Å; G93-L95 VanDerWaalsContact O-N 3.11Å; L95-G97 PolarHBondContact O-N 3.17Å; L95-L98 HydrophobicContact CD2-CD1 4.28Å; L95-L98 VanDerWaalsContact O-CB 3.25Å; L95-L98 WeakPolarHBondContact O-CB 3.32Å; L95-L98 WeakPolarHBondContact O-CG 3.27Å; L95-L98 PolarHBondContact O-N 3.25Å; L95-T103 HydrophobicContact CD2-CG2 3.98Å; L95-W115 HydrophobicContact CD1-CB 4.27Å; L95-W115 HydrophobicContact CD1-CD2 4.22Å; L95-W115 HydrophobicContact CD1-CE3 3.74Å; L95-W115 HydrophobicContact CD1-CG 4.48Å; L95-W115 HydrophobicContact CD1-CZ3 4.41Å; L95-W115 HydrophobicContact CD2-CE3 4.22Å; L95-W115 HydrophobicContact CD2-CZ3 4.07Å; L95-P123 HydrophobicContact CD1-CB 3.71Å; L95-P123 HydrophobicContact CD1-CG 4.21Å; L95-P123 HydrophobicContact CG-CB 3.93Å
96Q95.5Very high94.7Very high4 Ų434.3 Ų34.32%0.01919%0.188CC..THydrogen-bonded Turntrans-55.9130.8-177.2-66.8-170.5152.400112.2F22 C23 M91 G93 A94 L98 R132F22-Q96 WeakPolarHBondContact O-CA 3.24Å; C23-Q96 WeakPolarHBondContact O-CG 3.31Å; C23-Q96 PolarHBondContact O-OE1 3.04Å; M91-Q96 VanDerWaalsContact CE-NE2 3.34Å; M91-Q96 VanDerWaalsContact SD-CD 3.59Å; M91-Q96 PolarHBondContact SD-OE1 2.99Å; G93-Q96 VanDerWaalsContact O-CG 3.32Å; G93-Q96 WeakPolarHBondContact O-CG 3.46Å; G93-Q96 PolarHBondContact O-N 3.09Å; G93-Q96 VanDerWaalsContact O-N 3.15Å; A94-Q96 VanDerWaalsContact C-N 3.27Å; A94-Q96 PolarHBondContact O-N 3.07Å; Q96-L98 VanDerWaalsContact C-N 3.26Å; Q96-L98 PolarHBondContact O-N 3.09Å; Q96-R132 PolarHBondContact O-NH1 2.81Å
97G93.4Very high94.4Very high16 Ų1634.9 Ų34.917%0.16519%0.193CC..THydrogen-bonded Turntrans86.1-20-175.700000114.5R21 F22 L95R21-G97 WeakPolarHBondContact CD-O 3.12Å; R21-G97 PolarHBondContact NH1-O 2.92Å; F22-G97 PolarHBondContact O-N 3.04Å; L95-G97 PolarHBondContact O-N 3.17Å
98L94.2Very high93.9Very high69 Ų6936.5 Ų36.536%0.36121%0.21SC..SBendtrans-73143.4178-53.8-174.6000110.8R21 F22 L95 Q96 T103R21-L98 CarbonylContact C-O 3.54Å; R21-L98 VanDerWaalsContact CA-O 3.28Å; R21-L98 WeakPolarHBondContact CA-O 3.45Å; F22-L98 HydrophobicContact CD2-CB 4.48Å; F22-L98 WeakPolarHBondContact CD2-O 3.42Å; F22-L98 PolarHBondContact N-O 3.47Å; L95-L98 HydrophobicContact CD2-CD1 4.28Å; L95-L98 VanDerWaalsContact O-CB 3.25Å; L95-L98 WeakPolarHBondContact O-CB 3.32Å; L95-L98 WeakPolarHBondContact O-CG 3.27Å; L95-L98 PolarHBondContact O-N 3.25Å; Q96-L98 VanDerWaalsContact C-N 3.26Å; Q96-L98 PolarHBondContact O-N 3.09Å; L98-T103 WeakPolarHBondContact CB-OG1 3.36Å
99N93.7Very high93.4Very high26 Ų2643.8 Ų43.814%0.13924%0.244CC..BIsolated β-bridgetrans-70.8136.3170.9-175.7-75.9000109.7E19 S101 E102 T103E19-N99 PolarHBondContact O-ND2 2.76Å; E19-N99 VanDerWaalsContact O-ND2 3.09Å; N99-S101 PolarHBondContact O-N 3.2Å; N99-S101 WeakPolarHBondContact OD1-CA 3.46Å; N99-S101 WeakPolarHBondContact OD1-CB 3.24Å; N99-S101 PolarHBondContact OD1-N 2.85Å; N99-E102 HydrophobicContact CB-CB 4.08Å; N99-E102 HydrophobicContact CB-CG 3.89Å; N99-E102 WeakPolarHBondContact CB-OE2 3.41Å; N99-E102 PolarHBondContact O-N 2.98Å; N99-E102 PolarHBondContact OD1-N 3.36Å; N99-T103 WeakPolarHBondContact O-CB 3.45Å; N99-T103 PolarHBondContact O-N 3.16Å; N99-T103 PolarHBondContact O-OG1 3.14Å
100K91Very high93Very high18 Ų1849 Ų498%0.07827%0.268CS..Hα-helixtrans-65.4-39.4-176.1-67.5173.1-172.9164.80112.2N20 R21 F22 A104N20-K100 WeakPolarHBondContact O-CB 3.26Å; N20-K100 VanDerWaalsContact O-CG 3.3Å; N20-K100 WeakPolarHBondContact O-CG 3.44Å; N20-K100 PolarHBondContact O-N 3.36Å; N20-K100 WeakPolarHBondContact OD1-CD 3.49Å; R21-K100 VanDerWaalsContact O-CE 3.29Å; R21-K100 WeakPolarHBondContact O-CE 3.27Å; F22-K100 HydrophobicContact CD1-CG 4.25Å; F22-K100 HydrophobicContact CD2-CG 3.83Å; F22-K100 HydrophobicContact CE1-CG 4.07Å; F22-K100 HydrophobicContact CE2-CB 4.15Å; F22-K100 HydrophobicContact CE2-CG 3.64Å; F22-K100 HydrophobicContact CG-CG 4.14Å; F22-K100 HydrophobicContact CZ-CB 4.35Å; F22-K100 HydrophobicContact CZ-CG 3.76Å; K100-A104 WeakPolarHBondContact O-CB 3.39Å; K100-A104 PolarHBondContact O-N 3.24Å
101S88.5Confident92.7Very high31 Ų3152.2 Ų52.222%0.21728%0.284CS..Hα-helixtrans-70.8-40.4179.4-59.40000111.7N20 N99 A104 A105N20-S101 PolarHBondContact ND2-OG 3.4Å; N99-S101 PolarHBondContact O-N 3.2Å; N99-S101 WeakPolarHBondContact OD1-CA 3.46Å; N99-S101 WeakPolarHBondContact OD1-CB 3.24Å; N99-S101 PolarHBondContact OD1-N 2.85Å; S101-A104 PolarHBondContact O-N 3.08Å; S101-A105 PolarHBondContact O-N 3.42Å
102E91.7Very high92.2Very high127 Ų12752.6 Ų52.659%0.59329%0.286SS*.Hα-helixtrans-65.4-41.6174.3-64.8171.1176.400111.5N99 A104 A105 K106N99-E102 HydrophobicContact CB-CB 4.08Å; N99-E102 HydrophobicContact CB-CG 3.89Å; N99-E102 WeakPolarHBondContact CB-OE2 3.41Å; N99-E102 PolarHBondContact O-N 2.98Å; N99-E102 PolarHBondContact OD1-N 3.36Å; E102-A104 VanDerWaalsContact C-N 3.31Å; E102-A104 PolarHBondContact O-N 2.87Å; E102-A105 PolarHBondContact O-N 3.11Å; E102-K106 PolarHBondContact O-N 3.32Å
103T92.3Very high91.7Very high6 Ų656.2 Ų56.24%0.03730%0.302CS..Hα-helixtrans-62.4-41.1175.7-53.90000110.7F22 L95 L98 N99 K106 H107 V112 W115F22-T103 HydrophobicContact CE2-CG2 4.05Å; L95-T103 HydrophobicContact CD2-CG2 3.98Å; L98-T103 WeakPolarHBondContact CB-OG1 3.36Å; N99-T103 WeakPolarHBondContact O-CB 3.45Å; N99-T103 PolarHBondContact O-N 3.16Å; N99-T103 PolarHBondContact O-OG1 3.14Å; T103-K106 PolarHBondContact O-N 2.9Å; T103-H107 WeakPolarHBondContact O-CB 3.33Å; T103-H107 PolarHBondContact O-CD2 2.69Å; T103-H107 PolarHBondContact O-N 2.81Å; T103-V112 HydrophobicContact CG2-CG2 3.78Å; T103-W115 HydrophobicContact CG2-CZ3 4.32Å
104A90.7Very high91.4Very high17 Ų1759.2 Ų59.214%0.1432%0.318CS..Hα-helixtrans-66-38.2176.400000112.2K100 S101 E102 K106 G108 E109 V112K100-A104 WeakPolarHBondContact O-CB 3.39Å; K100-A104 PolarHBondContact O-N 3.24Å; S101-A104 PolarHBondContact O-N 3.08Å; E102-A104 VanDerWaalsContact C-N 3.31Å; E102-A104 PolarHBondContact O-N 2.87Å; A104-K106 VanDerWaalsContact C-N 3.29Å; A104-K106 PolarHBondContact O-N 3.48Å; A104-G108 CarbonylContact O-C 3.53Å; A104-G108 WeakPolarHBondContact O-CA 3.37Å; A104-G108 PolarHBondContact O-N 3.2Å; A104-E109 HydrophobicContact CB-CG 4.25Å; A104-V112 HydrophobicContact CB-CB 4.4Å; A104-V112 HydrophobicContact CB-CG2 4.16Å
105A90.3Very high91.1Very high90 Ų9059 Ų5974%0.74431%0.311SS*.Hα-helixtrans-63.7-34.917400000112.5S101 E102S101-A105 PolarHBondContact O-N 3.42Å; E102-A105 PolarHBondContact O-N 3.11Å
106K91.6Very high90.6Very high169 Ų16961.5 Ų61.574%0.73532%0.32SS*.Hα-helixtrans-82.3-38.6-178.8-173.8175.8179.7-179.40114E102 T103 A104E102-K106 PolarHBondContact O-N 3.32Å; T103-K106 PolarHBondContact O-N 2.9Å; A104-K106 VanDerWaalsContact C-N 3.29Å; A104-K106 PolarHBondContact O-N 3.48Å
107H90.5Very high90.1Very high81 Ų8164.1 Ų64.138%0.37533%0.329SS..Hα-helixtrans-110.3-7.5-171.4-64.7-76.3000114T103 Q111 V112 W115T103-H107 WeakPolarHBondContact O-CB 3.33Å; T103-H107 PolarHBondContact O-CD2 2.69Å; T103-H107 PolarHBondContact O-N 2.81Å; H107-Q111 HydrophobicContact CB-CG 4.45Å; H107-Q111 VanDerWaalsContact O-CB 3.27Å; H107-Q111 WeakPolarHBondContact O-CB 3.32Å; H107-V112 HydrophobicContact CB-CG2 4.47Å; H107-W115 HydrophobicContact CB-CH2 3.98Å; H107-W115 HydrophobicContact CB-CZ3 3.86Å; H107-W115 AromaticContact CG-CH2 3.74Å; H107-W115 AromaticContact CG-CZ3 3.82Å; H107-W115 AromaticContact ND1-CH2 3.8Å
108G89.5Confident90Very high35 Ų3564.2 Ų64.236%0.36133%0.328SS..  trans89.2144.4-172.800000112.7A104 E110 Q111 V112A104-G108 CarbonylContact O-C 3.53Å; A104-G108 WeakPolarHBondContact O-CA 3.37Å; A104-G108 PolarHBondContact O-N 3.2Å; G108-E110 PolarHBondContact O-N 3.07Å; G108-Q111 PolarHBondContact O-N 3.15Å; G108-V112 PolarHBondContact O-N 3Å; G108-V112 VanDerWaalsContact O-N 3.14Å
109E87.3Confident90.1Very high153 Ų15362.4 Ų62.472%0.71532%0.317SS*.Hα-helixtrans-62-41.2-179.1-67.7-168.3168.900112.3A104 Q111 V112 K113A104-E109 HydrophobicContact CB-CG 4.25Å; E109-Q111 PolarHBondContact O-N 2.92Å; E109-V112 PolarHBondContact O-N 3.11Å; E109-K113 VanDerWaalsContact O-CB 3.28Å; E109-K113 WeakPolarHBondContact O-CB 3.29Å; E109-K113 PolarHBondContact O-N 2.94Å
110E90.4Very high90.2Very high125 Ų12565.8 Ų65.858%0.58434%0.335SS*.Hα-helixtrans-63.6-42178.8-69.7-55.4123.100112G108 V112 K113 I114G108-E110 PolarHBondContact O-N 3.07Å; E110-V112 PolarHBondContact O-N 2.97Å; E110-K113 WeakPolarHBondContact O-CB 3.36Å; E110-K113 PolarHBondContact O-N 3.29Å; E110-I114 VanDerWaalsContact O-CG1 3.3Å; E110-I114 WeakPolarHBondContact O-CG1 3.19Å; E110-I114 PolarHBondContact O-N 3.24Å
111Q91.3Very high90.5Very high70 Ų7068.6 Ų68.633%0.32735%0.35SS..Hα-helixtrans-65.5-41.9177.5-174.158.563.100111.8H107 G108 E109 K113 I114 W115H107-Q111 HydrophobicContact CB-CG 4.45Å; H107-Q111 VanDerWaalsContact O-CB 3.27Å; H107-Q111 WeakPolarHBondContact O-CB 3.32Å; G108-Q111 PolarHBondContact O-N 3.15Å; E109-Q111 PolarHBondContact O-N 2.92Å; Q111-K113 VanDerWaalsContact C-N 3.32Å; Q111-I114 PolarHBondContact O-N 3.36Å; Q111-W115 HydrophobicContact CG-CD2 4.17Å; Q111-W115 HydrophobicContact CG-CE3 4.26Å; Q111-W115 HydrophobicContact CG-CH2 3.74Å; Q111-W115 HydrophobicContact CG-CZ2 3.61Å; Q111-W115 HydrophobicContact CG-CZ3 4.07Å; Q111-W115 VanDerWaalsContact NE2-CE2 3.27Å; Q111-W115 PolarHBondContact O-N 2.83Å
112V87.5Confident90.9Very high7 Ų769.6 Ų69.64%0.04236%0.356CS..Hα-helixtrans-66.1-37.3175.11700000111.3F22 T103 A104 H107 G108 E109 E110 W115 R116F22-V112 HydrophobicContact CZ-CG1 3.98Å; T103-V112 HydrophobicContact CG2-CG2 3.78Å; A104-V112 HydrophobicContact CB-CB 4.4Å; A104-V112 HydrophobicContact CB-CG2 4.16Å; H107-V112 HydrophobicContact CB-CG2 4.47Å; G108-V112 PolarHBondContact O-N 3Å; G108-V112 VanDerWaalsContact O-N 3.14Å; E109-V112 PolarHBondContact O-N 3.11Å; E110-V112 PolarHBondContact O-N 2.97Å; V112-W115 HydrophobicContact CG2-CE3 4.2Å; V112-W115 HydrophobicContact CG2-CZ3 4.32Å; V112-W115 PolarHBondContact O-N 2.89Å; V112-R116 HydrophobicContact CG1-CG 4.35Å; V112-R116 WeakPolarHBondContact O-CB 3.4Å; V112-R116 WeakPolarHBondContact O-CG 3.45Å; V112-R116 PolarHBondContact O-N 2.82Å
113K86.7Confident91.1Very high103 Ų10363.7 Ų63.745%0.44833%0.328SS..Hα-helixtrans-63.8-43.3174.4-171.9-179.5176.5-170.90111E109 E110 Q111 R116 R117E109-K113 VanDerWaalsContact O-CB 3.28Å; E109-K113 WeakPolarHBondContact O-CB 3.29Å; E109-K113 PolarHBondContact O-N 2.94Å; E110-K113 WeakPolarHBondContact O-CB 3.36Å; E110-K113 PolarHBondContact O-N 3.29Å; Q111-K113 VanDerWaalsContact C-N 3.32Å; K113-R116 CarbonylContact O-C 3.33Å; K113-R116 PolarHBondContact O-N 2.93Å; K113-R116 VanDerWaalsContact O-N 3.16Å; K113-R117 WeakPolarHBondContact O-CB 3.47Å; K113-R117 PolarHBondContact O-N 3.37Å
114I90.7Very high91.3Very high64 Ų6465.6 Ų65.633%0.32834%0.341SS..Hα-helixtrans-57.1-52.9172.3-70.4166.5000110E110 Q111 R116 R117 A118 I121E110-I114 VanDerWaalsContact O-CG1 3.3Å; E110-I114 WeakPolarHBondContact O-CG1 3.19Å; E110-I114 PolarHBondContact O-N 3.24Å; Q111-I114 PolarHBondContact O-N 3.36Å; I114-R116 PolarHBondContact O-N 3.48Å; I114-R116 VanDerWaalsContact O-N 3.13Å; I114-R117 PolarHBondContact O-N 2.9Å; I114-A118 HydrophobicContact CG2-CB 3.98Å; I114-A118 WeakPolarHBondContact O-CA 3.22Å; I114-A118 WeakPolarHBondContact O-CB 3.45Å; I114-A118 PolarHBondContact O-N 2.93Å; I114-I121 HydrophobicContact CG2-CB 4.17Å; I114-I121 HydrophobicContact CG2-CD1 3.85Å; I114-I121 HydrophobicContact CG2-CG2 3.96Å
115W90.1Very high91.6Very high24 Ų2467.7 Ų67.79%0.09135%0.353CS..Hα-helixtrans-60.8-28.5178.6-67.8-31.4000113.7R90 L95 T103 H107 Q111 V112 P123 P124R90-W115 VanDerWaalsContact CZ-O 3.27Å; R90-W115 PolarHBondContact NH1-O 3.39Å; R90-W115 PolarHBondContact NH2-O 3.42Å; L95-W115 HydrophobicContact CD1-CB 4.27Å; L95-W115 HydrophobicContact CD1-CD2 4.22Å; L95-W115 HydrophobicContact CD1-CE3 3.74Å; L95-W115 HydrophobicContact CD1-CG 4.48Å; L95-W115 HydrophobicContact CD1-CZ3 4.41Å; L95-W115 HydrophobicContact CD2-CE3 4.22Å; L95-W115 HydrophobicContact CD2-CZ3 4.07Å; T103-W115 HydrophobicContact CG2-CZ3 4.32Å; H107-W115 HydrophobicContact CB-CH2 3.98Å; H107-W115 HydrophobicContact CB-CZ3 3.86Å; H107-W115 AromaticContact CG-CH2 3.74Å; H107-W115 AromaticContact CG-CZ3 3.82Å; H107-W115 AromaticContact ND1-CH2 3.8Å; Q111-W115 HydrophobicContact CG-CD2 4.17Å; Q111-W115 HydrophobicContact CG-CE3 4.26Å; Q111-W115 HydrophobicContact CG-CH2 3.74Å; Q111-W115 HydrophobicContact CG-CZ2 3.61Å; Q111-W115 HydrophobicContact CG-CZ3 4.07Å; Q111-W115 VanDerWaalsContact NE2-CE2 3.27Å; Q111-W115 PolarHBondContact O-N 2.83Å; V112-W115 HydrophobicContact CG2-CE3 4.2Å; V112-W115 HydrophobicContact CG2-CZ3 4.32Å; V112-W115 PolarHBondContact O-N 2.89Å; W115-P123 HydrophobicContact CB-CB 4.49Å; W115-P123 HydrophobicContact CB-CG 4.27Å; W115-P123 HydrophobicContact CG-CB 4.41Å; W115-P124 HydrophobicContact CH2-CG 4.17Å; W115-P124 HydrophobicContact CZ2-CG 3.8Å
116R85.1Confident92Very high57 Ų5763.5 Ų63.522%0.21532%0.318CS..Hα-helixtrans-83.8-33.4178.7-74.2178.164.7-158.5-1.1114F22 V112 K113 I114 Q246F22-R116 HydrophobicContact CE1-CG 3.83Å; F22-R116 HydrophobicContact CZ-CG 4.37Å; V112-R116 HydrophobicContact CG1-CG 4.35Å; V112-R116 WeakPolarHBondContact O-CB 3.4Å; V112-R116 WeakPolarHBondContact O-CG 3.45Å; V112-R116 PolarHBondContact O-N 2.82Å; K113-R116 CarbonylContact O-C 3.33Å; K113-R116 PolarHBondContact O-N 2.93Å; K113-R116 VanDerWaalsContact O-N 3.16Å; I114-R116 PolarHBondContact O-N 3.48Å; I114-R116 VanDerWaalsContact O-N 3.13Å; R116-Q246 PolarHBondContact NH1-O 3.36Å; R116-Q246 PolarHBondContact NH2-O 2.78Å
117R85.5Confident92.2Very high59 Ų5959.4 Ų59.422%0.22331%0.305CS..Hα-helixtrans-129.5-4.5-165.3-65.2-164.6174.1-162-2.9115K113 I114 V204 E205K113-R117 WeakPolarHBondContact O-CB 3.47Å; K113-R117 PolarHBondContact O-N 3.37Å; I114-R117 PolarHBondContact O-N 2.9Å; R117-V204 WeakPolarHBondContact O-CB 3.45Å; R117-V204 WeakPolarHBondContact O-CG1 3.34Å; R117-V204 WeakPolarHBondContact O-CG2 3.3Å; R117-E205 IonicContact CZ-OE1 2.9Å; R117-E205 IonicContact CZ-OE2 2.7Å; R117-E205 IonicContact NH1-OE1 3.42Å; R117-E205 PolarHBondContact NH1-OE1 2.97Å; R117-E205 IonicContact NH1-OE2 2.72Å; R117-E205 PolarHBondContact NH1-OE2 3.35Å
118A91.7Very high92.4Very high17 Ų1760.5 Ų60.514%0.1431%0.312CS..  trans-70.3140.1166.700000109.7I114 I121I114-A118 HydrophobicContact CG2-CB 3.98Å; I114-A118 WeakPolarHBondContact O-CA 3.22Å; I114-A118 WeakPolarHBondContact O-CB 3.45Å; I114-A118 PolarHBondContact O-N 2.93Å; A118-I121 HydrophobicContact CB-CB 3.62Å; A118-I121 HydrophobicContact CB-CD1 4.01Å; A118-I121 HydrophobicContact CB-CG1 3.93Å
119Y96Very high92.7Very high31 Ų3163.7 Ų63.712%0.12233%0.329CS..SBendtrans-70.4-45179.6178.8-111000111.5C153 L154 K155 V158 K193 D200 I203Y119-C153 WeakPolarHBondContact O-CB 3.49Å; Y119-L154 HydrophobicContact CD2-CB 4.02Å; Y119-L154 HydrophobicContact CD2-CD2 4.01Å; Y119-L154 HydrophobicContact CD2-CG 4.01Å; Y119-L154 HydrophobicContact CE2-CB 4.43Å; Y119-L154 HydrophobicContact CE2-CD2 4.42Å; Y119-L154 HydrophobicContact CE2-CG 4.14Å; Y119-L154 PolarHBondContact O-N 3.44Å; Y119-K155 HydrophobicContact CD1-CB 4.06Å; Y119-K155 HydrophobicContact CE1-CB 3.63Å; Y119-K155 HydrophobicContact CE1-CD 4.08Å; Y119-K155 HydrophobicContact CE1-CG 3.82Å; Y119-K155 HydrophobicContact CE2-CB 4.33Å; Y119-K155 PolarHBondContact O-N 3.02Å; Y119-V158 HydrophobicContact CE2-CG2 4.32Å; Y119-K193 HydrophobicContact CE2-CD 4.1Å; Y119-K193 WeakPolarHBondContact OH-CE 3.14Å; Y119-D200 HydrophobicContact CD1-CB 3.66Å; Y119-D200 VanDerWaalsContact CD1-CG 3.43Å; Y119-D200 VanDerWaalsContact CD1-OD2 3.31Å; Y119-D200 WeakPolarHBondContact CD1-OD2 3.2Å; Y119-D200 HydrophobicContact CD2-CB 4.24Å; Y119-D200 HydrophobicContact CE1-CB 4.01Å; Y119-D200 WeakPolarHBondContact CE1-OD1 3.33Å; Y119-D200 WeakPolarHBondContact CE1-OD2 3.36Å; Y119-D200 HydrophobicContact CG-CB 3.78Å; Y119-I203 HydrophobicContact CD2-CG2 4.1Å; Y119-I203 HydrophobicContact CE2-CG2 4.34Å
120D96.7Very high93.1Very high97 Ų9758 Ų5852%0.51930%0.303SS..SBendtrans-1206.4-169.163.8-12.7000114.5P122 K155D120-P122 WeakPolarHBondContact O-CD 3.31Å; D120-K155 HydrophobicContact CB-CB 4.48Å; D120-K155 HydrophobicContact CB-CD 4.12Å
121I96.4Very high93.3Very high77 Ų7757.6 Ų57.640%0.39531%0.311SS..  trans-103108.8176.1-53.6173.6000109.5R90 I114 A118R90-I121 PolarHBondContact NH2-O 3.06Å; I114-I121 HydrophobicContact CG2-CB 4.17Å; I114-I121 HydrophobicContact CG2-CD1 3.85Å; I114-I121 HydrophobicContact CG2-CG2 3.96Å; A118-I121 HydrophobicContact CB-CB 3.62Å; A118-I121 HydrophobicContact CB-CD1 4.01Å; A118-I121 HydrophobicContact CB-CG1 3.93Å
122P96.4Very high93.4Very high52 Ų5258.6 Ų58.634%0.33831%0.312SS..PPolyproline II helixtrans-77.5154.9179.131.3-34.8000111.7D120 T151 C153D120-P122 WeakPolarHBondContact O-CD 3.31Å; P122-T151 HydrophobicContact CB-CG2 3.84Å; P122-T151 HydrophobicContact CG-CG2 4.4Å; P122-C153 HydrophobicContact CB-CB 4.16Å
123P96.3Very high93.8Very high3 Ų359.6 Ų59.62%0.01932%0.316CS..PPolyproline II helixtrans-61.7167.8162.9-19.231.9000111.9Y92 L95 W115 T151 E152Y92-P123 HydrophobicContact CD1-CG 3.99Å; Y92-P123 WeakPolarHBondContact O-CB 3.3Å; L95-P123 HydrophobicContact CD1-CB 3.71Å; L95-P123 HydrophobicContact CD1-CG 4.21Å; L95-P123 HydrophobicContact CG-CB 3.93Å; W115-P123 HydrophobicContact CB-CB 4.49Å; W115-P123 HydrophobicContact CB-CG 4.27Å; W115-P123 HydrophobicContact CG-CB 4.41Å; P123-T151 WeakPolarHBondContact CD-OG1 3.09Å; P123-T151 WeakPolarHBondContact O-CB 3.28Å; P123-T151 WeakPolarHBondContact O-CG2 3.14Å; P123-T151 PolarHBondContact O-OG1 2.93Å; P123-E152 VanDerWaalsContact CD-O 3.24Å; P123-E152 WeakPolarHBondContact CD-O 3.41Å
124P96.4Very high94.2Very high47 Ų4754.7 Ų54.731%0.30530%0.295SS..PPolyproline II helixtrans-56.5137.6173.8-22.933.7000111.7G93 A94 W115G93-P124 WeakPolarHBondContact CA-O 3.26Å; A94-P124 HydrophobicContact CB-CB 4.26Å; A94-P124 PolarHBondContact N-O 3.09Å; W115-P124 HydrophobicContact CH2-CG 4.17Å; W115-P124 HydrophobicContact CZ2-CG 3.8Å
125P97.7Very high94.5Very high61 Ų6153 Ų5340%0.39629%0.294SS..PPolyproline II helixtrans-67.2143.7179.728.3-34.3000112.4R150 T151P125-R150 WeakPolarHBondContact CA-O 3.46Å; P125-R150 HydrophobicContact CB-CB 3.86Å; P125-T151 HydrophobicContact CB-CG2 3.99Å
126V97.5Very high94.7Very high1 Ų156.5 Ų56.51%0.00631%0.314CS..PPolyproline II helixtrans-71.4142.916674.10000109.6M91 D130 R132 F133 R150M91-V126 HydrophobicContact CE-CG1 3.82Å; V126-D130 HydrophobicContact CG2-CB 3.55Å; V126-R132 HydrophobicContact CG2-CB 4.49Å; V126-F133 HydrophobicContact CG1-CB 4.3Å; V126-F133 HydrophobicContact CG1-CD2 3.9Å; V126-R150 HydrophobicContact CG1-CB 4.29Å; V126-R150 WeakPolarHBondContact CG1-O 3.33Å; V126-R150 PolarHBondContact N-O 3.06Å; V126-R150 WeakPolarHBondContact O-CD 3.35Å
127D96.8Very high95.2Very high84 Ų8456.3 Ų56.345%0.44932%0.316SS..PPolyproline II helixtrans-71.5148.8172.9-160.9-75000110.5S129 D130D127-S129 PolarHBondContact O-N 3.38Å; D127-S129 PolarHBondContact OD1-N 3.2Å; D127-S129 PolarHBondContact OD1-OG 3.38Å; D127-S129 VanDerWaalsContact OD1-OG 3.08Å; D127-D130 HydrophobicContact CB-CB 4.38Å; D127-D130 WeakPolarHBondContact O-CB 3.49Å; D127-D130 PolarHBondContact O-N 2.96Å; D127-D130 VanDerWaalsContact O-N 3.14Å
128I95Very high95.7Very high104 Ų10459.2 Ų59.253%0.53334%0.342SS..THydrogen-bonded Turntrans-67.5-26.5177.360.1171.6000112.2D130 F133I128-D130 VanDerWaalsContact C-N 3.26Å; I128-F133 HydrophobicContact CB-CD1 4.27Å; I128-F133 HydrophobicContact CB-CE1 4.35Å; I128-F133 HydrophobicContact CG2-CD1 4.46Å; I128-F133 HydrophobicContact CG2-CE1 4.18Å; I128-F133 HydrophobicContact CG2-CZ 4.23Å
129S96.1Very high96Very high101 Ų10161.8 Ų61.871%0.70635%0.35SS*.THydrogen-bonded Turntrans-80-9.7174.975.60000112.8D127D127-S129 PolarHBondContact O-N 3.38Å; D127-S129 PolarHBondContact OD1-N 3.2Å; D127-S129 PolarHBondContact OD1-OG 3.38Å; D127-S129 VanDerWaalsContact OD1-OG 3.08Å
130D95.7Very high96.1Very high33 Ų3360.4 Ų60.418%0.17635%0.345CS..SBendtrans-70.9132.6178.2-165.2-62.1000109.8V126 D127 I128 R132 F133 N136V126-D130 HydrophobicContact CG2-CB 3.55Å; D127-D130 HydrophobicContact CB-CB 4.38Å; D127-D130 WeakPolarHBondContact O-CB 3.49Å; D127-D130 PolarHBondContact O-N 2.96Å; D127-D130 VanDerWaalsContact O-N 3.14Å; I128-D130 VanDerWaalsContact C-N 3.26Å; D130-R132 PolarHBondContact O-N 3.48Å; D130-R132 WeakPolarHBondContact OD1-CB 3.32Å; D130-R132 VanDerWaalsContact OD1-CG 3.3Å; D130-R132 WeakPolarHBondContact OD1-CG 3.42Å; D130-R132 IonicContact OD1-CZ 2.68Å; D130-R132 PolarHBondContact OD1-N 2.88Å; D130-R132 IonicContact OD1-NE 3.03Å; D130-R132 PolarHBondContact OD1-NE 2.99Å; D130-R132 IonicContact OD1-NH2 3.34Å; D130-R132 IonicContact OD2-CZ 3.81Å; D130-R132 IonicContact OD2-NE 3.92Å; D130-R132 PolarHBondContact OD2-NE 3.08Å; D130-R132 IonicContact OD2-NH2 2.7Å; D130-R132 PolarHBondContact OD2-NH2 3.48Å; D130-F133 VanDerWaalsContact O-CB 3.28Å; D130-F133 WeakPolarHBondContact O-CB 3.4Å; D130-F133 PolarHBondContact O-N 2.79Å; D130-N136 PolarHBondContact O-ND2 2.97Å; D130-N136 VanDerWaalsContact O-ND2 3.16Å
131P93.8Very high96Very high117 Ų11759.4 Ų59.476%0.7635%0.349SS*.THydrogen-bonded Turntrans-56.8-22.2176.2-26.434.9000114.3F133P131-F133 VanDerWaalsContact C-N 3.31Å
132R93.5Very high96Very high91 Ų9164.2 Ų64.234%0.34338%0.375SS..THydrogen-bonded Turntrans-82.6-5.4177.8-57.2170.1-67.7167.5-0.8113.3A94 Q96 V126 D130 P134A94-R132 PolarHBondContact O-NH1 3.43Å; Q96-R132 PolarHBondContact O-NH1 2.81Å; V126-R132 HydrophobicContact CG2-CB 4.49Å; D130-R132 PolarHBondContact O-N 3.48Å; D130-R132 WeakPolarHBondContact OD1-CB 3.32Å; D130-R132 VanDerWaalsContact OD1-CG 3.3Å; D130-R132 WeakPolarHBondContact OD1-CG 3.42Å; D130-R132 IonicContact OD1-CZ 2.68Å; D130-R132 PolarHBondContact OD1-N 2.88Å; D130-R132 IonicContact OD1-NE 3.03Å; D130-R132 PolarHBondContact OD1-NE 2.99Å; D130-R132 IonicContact OD1-NH2 3.34Å; D130-R132 IonicContact OD2-CZ 3.81Å; D130-R132 IonicContact OD2-NE 3.92Å; D130-R132 PolarHBondContact OD2-NE 3.08Å; D130-R132 IonicContact OD2-NH2 2.7Å; D130-R132 PolarHBondContact OD2-NH2 3.48Å; R132-P134 WeakPolarHBondContact O-CD 3.4Å
133F96.3Very high96Very high28 Ų2863.9 Ų63.912%0.12337%0.37CS..  trans-64124.1175.8176.4-124.6000110V126 I128 D130 P131 G135 N136 I148 R150V126-F133 HydrophobicContact CG1-CB 4.3Å; V126-F133 HydrophobicContact CG1-CD2 3.9Å; I128-F133 HydrophobicContact CB-CD1 4.27Å; I128-F133 HydrophobicContact CB-CE1 4.35Å; I128-F133 HydrophobicContact CG2-CD1 4.46Å; I128-F133 HydrophobicContact CG2-CE1 4.18Å; I128-F133 HydrophobicContact CG2-CZ 4.23Å; D130-F133 VanDerWaalsContact O-CB 3.28Å; D130-F133 WeakPolarHBondContact O-CB 3.4Å; D130-F133 PolarHBondContact O-N 2.79Å; P131-F133 VanDerWaalsContact C-N 3.31Å; F133-G135 VanDerWaalsContact CE1-CA 3.5Å; F133-G135 PolarHBondContact O-N 3.03Å; F133-G135 VanDerWaalsContact O-N 3.09Å; F133-N136 WeakPolarHBondContact O-CB 3.25Å; F133-N136 PolarHBondContact O-N 3.43Å; F133-I148 HydrophobicContact CE2-CG2 3.9Å; F133-I148 HydrophobicContact CZ-CB 4.48Å; F133-I148 HydrophobicContact CZ-CG2 3.89Å; F133-R150 HydrophobicContact CD2-CG 4.49Å; F133-R150 HydrophobicContact CE2-CG 4.02Å
134P95.9Very high95.9Very high0 Ų068.6 Ų68.60%040%0.395CS..G310 helixtrans-61.8-23.1-175.2-24.333.8000113.7W25 M91 R132 N136 E137 Y140 I148W25-P134 HydrophobicContact CB-CG 4.31Å; W25-P134 HydrophobicContact CD2-CG 4.41Å; W25-P134 HydrophobicContact CE3-CB 3.71Å; W25-P134 HydrophobicContact CE3-CG 3.82Å; W25-P134 HydrophobicContact CZ3-CB 4.15Å; M91-P134 HydrophobicContact CE-CG 3.6Å; M91-P134 HydrophobicContact SD-CG 3.87Å; R132-P134 WeakPolarHBondContact O-CD 3.4Å; P134-N136 PolarHBondContact O-N 3.05Å; P134-E137 PolarHBondContact O-N 2.97Å; P134-Y140 HydrophobicContact CB-CD2 3.84Å; P134-Y140 HydrophobicContact CB-CE2 3.77Å; P134-Y140 VanDerWaalsContact O-CD2 3.24Å; P134-Y140 WeakPolarHBondContact O-CD2 3.5Å; P134-I148 HydrophobicContact CB-CG2 3.86Å
135G95.1Very high95.8Very high30 Ų3071 Ų7131%0.30941%0.413SS..G310 helixtrans-61.6-15.2176.500000114.2F133F133-G135 VanDerWaalsContact CE1-CA 3.5Å; F133-G135 PolarHBondContact O-N 3.03Å; F133-G135 VanDerWaalsContact O-N 3.09Å
136N94.2Very high95.6Very high96 Ų9672.9 Ų72.951%0.51343%0.428SS..G310 helixtrans-85.3-8.6174.3-61.1-34.4000113.1D130 F133 P134D130-N136 PolarHBondContact O-ND2 2.97Å; D130-N136 VanDerWaalsContact O-ND2 3.16Å; F133-N136 WeakPolarHBondContact O-CB 3.25Å; F133-N136 PolarHBondContact O-N 3.43Å; P134-N136 PolarHBondContact O-N 3.05Å
137E96.4Very high95.5Very high54 Ų5475 Ų7525%0.25244%0.443SS..SBendtrans-92132.5-179-61.7-175.5-103.100112.1P134 K139 Y140P134-E137 PolarHBondContact O-N 2.97Å; E137-K139 HydrophobicContact CB-CG 4.34Å; E137-K139 PolarHBondContact O-N 2.95Å; E137-K139 VanDerWaalsContact O-N 3.07Å; E137-K139 IonicContact OE1-NZ 2.9Å; E137-K139 WeakPolarHBondContact OE2-CE 3.1Å; E137-K139 IonicContact OE2-NZ 3.04Å; E137-K139 PolarHBondContact OE2-NZ 3.4Å; E137-Y140 HydrophobicContact CB-CD2 3.87Å; E137-Y140 HydrophobicContact CB-CE2 4.13Å; E137-Y140 PolarHBondContact O-N 3.03Å; E137-Y140 VanDerWaalsContact O-N 3.09Å; E137-Y140 WeakPolarHBondContact OE1-CE2 3.48Å
138P96.9Very high95.6Very high119 Ų11972 Ų7277%0.77343%0.426SS*.G310 helixtrans-56.9-30.6-177.8-27.434000114.9Y140 A141P138-Y140 PolarHBondContact O-N 3.41Å; P138-Y140 VanDerWaalsContact O-N 3.13Å; P138-A141 VanDerWaalsContact O-CB 3.28Å; P138-A141 WeakPolarHBondContact O-CB 3.45Å; P138-A141 PolarHBondContact O-N 2.91Å; P138-A141 VanDerWaalsContact O-N 3.11Å
139K96.5Very high95.7Very high72 Ų7267.9 Ų67.931%0.31341%0.406SS..G310 helixtrans-67-11.3-178.570.2-166.9-176.9-1480114D27 V59 E137D27-K139 IonicContact OD2-NZ 3.71Å; D27-K139 PolarHBondContact OD2-NZ 2.81Å; D27-K139 VanDerWaalsContact OD2-NZ 3.13Å; V59-K139 HydrophobicContact CG2-CD 4.35Å; E137-K139 HydrophobicContact CB-CG 4.34Å; E137-K139 PolarHBondContact O-N 2.95Å; E137-K139 VanDerWaalsContact O-N 3.07Å; E137-K139 IonicContact OE1-NZ 2.9Å; E137-K139 WeakPolarHBondContact OE2-CE 3.1Å; E137-K139 IonicContact OE2-NZ 3.04Å; E137-K139 PolarHBondContact OE2-NZ 3.4Å
140Y97.9Very high95.8Very high2 Ų268.3 Ų68.31%0.00839%0.392CS..G310 helixtrans-112.14.6175.3-51.6-63.5000113.2W25 V59 W85 N88 P134 E137 P138 L142 L143W25-Y140 AromaticContact CE3-CE1 3.77Å; W25-Y140 HydrophobicContact CE3-CE1 3.77Å; W25-Y140 AromaticContact CE3-CE2 3.77Å; W25-Y140 HydrophobicContact CE3-CE2 3.77Å; W25-Y140 AromaticContact CE3-CZ 3.33Å; W25-Y140 VanDerWaalsContact CE3-OH 3.25Å; W25-Y140 HydrophobicContact CH2-CE1 4.2Å; W25-Y140 AromaticContact CZ3-CD1 3.84Å; W25-Y140 HydrophobicContact CZ3-CD1 3.84Å; W25-Y140 HydrophobicContact CZ3-CD2 4.39Å; W25-Y140 AromaticContact CZ3-CE1 3.37Å; W25-Y140 HydrophobicContact CZ3-CE1 3.37Å; W25-Y140 AromaticContact CZ3-CE2 3.99Å; W25-Y140 HydrophobicContact CZ3-CE2 3.99Å; W25-Y140 HydrophobicContact CZ3-CG 4.33Å; W25-Y140 AromaticContact CZ3-CZ 3.46Å; W25-Y140 VanDerWaalsContact CZ3-CZ 3.46Å; V59-Y140 HydrophobicContact CG2-CE1 3.51Å; W85-Y140 HydrophobicContact CB-CD1 4.23Å; W85-Y140 HydrophobicContact CB-CE1 3.93Å; N88-Y140 PolarHBondContact ND2-OH 2.9Å; P134-Y140 HydrophobicContact CB-CD2 3.84Å; P134-Y140 HydrophobicContact CB-CE2 3.77Å; P134-Y140 VanDerWaalsContact O-CD2 3.24Å; P134-Y140 WeakPolarHBondContact O-CD2 3.5Å; E137-Y140 HydrophobicContact CB-CD2 3.87Å; E137-Y140 HydrophobicContact CB-CE2 4.13Å; E137-Y140 PolarHBondContact O-N 3.03Å; E137-Y140 VanDerWaalsContact O-N 3.09Å; E137-Y140 WeakPolarHBondContact OE1-CE2 3.48Å; P138-Y140 PolarHBondContact O-N 3.41Å; P138-Y140 VanDerWaalsContact O-N 3.13Å; Y140-L142 PolarHBondContact O-N 2.99Å; Y140-L142 VanDerWaalsContact O-N 3.1Å; Y140-L143 HydrophobicContact CD1-CD1 3.86Å; Y140-L143 HydrophobicContact CG-CD1 4.42Å; Y140-L143 WeakPolarHBondContact O-CB 3.28Å; Y140-L143 PolarHBondContact O-N 3.14Å
141A96.2Very high95.9Very high75 Ų7568.1 Ų68.162%0.6239%0.392SS*.THydrogen-bonded Turntrans-62.3-22.2-172.900000114.7P138P138-A141 VanDerWaalsContact O-CB 3.28Å; P138-A141 WeakPolarHBondContact O-CB 3.45Å; P138-A141 PolarHBondContact O-N 2.91Å; P138-A141 VanDerWaalsContact O-N 3.11Å
142L95Very high96.1Very high178 Ų17863 Ų6393%0.93236%0.358SS*.THydrogen-bonded Turntrans-92.7-1.4177.8-60.1-178.6000113.4Y140Y140-L142 PolarHBondContact O-N 2.99Å; Y140-L142 VanDerWaalsContact O-N 3.1Å
143L96.1Very high96.3Very high46 Ų4658.8 Ų58.824%0.24134%0.343CS..SBendtrans-82.7143.3176.3-60.4-175.7000110.1W85 Y140 S145 C147 I148W85-L143 HydrophobicContact CB-CD1 4.27Å; W85-L143 HydrophobicContact CD2-CD1 3.93Å; W85-L143 HydrophobicContact CG-CD1 3.67Å; W85-L143 HydrophobicContact CG-CD2 4.43Å; W85-L143 VanDerWaalsContact NE1-CD2 3.3Å; Y140-L143 HydrophobicContact CD1-CD1 3.86Å; Y140-L143 HydrophobicContact CG-CD1 4.42Å; Y140-L143 WeakPolarHBondContact O-CB 3.28Å; Y140-L143 PolarHBondContact O-N 3.14Å; L143-S145 PolarHBondContact O-N 3.41Å; L143-C147 HydrophobicContact CB-CB 4.45Å; L143-I148 HydrophobicContact CB-CD1 4.37Å; L143-I148 HydrophobicContact CB-CG1 4.14Å; L143-I148 HydrophobicContact CD1-CG1 4.49Å
144D95.9Very high96.4Very high101 Ų10157.6 Ų57.654%0.5434%0.338SS..  trans-58.3138.2163.1-174.9-90.3000109S146 C147D144-S146 PolarHBondContact O-N 3.37Å; D144-S146 VanDerWaalsContact O-N 3.07Å; D144-S146 WeakPolarHBondContact OD1-CB 3.07Å; D144-S146 PolarHBondContact OD1-N 3.21Å; D144-S146 PolarHBondContact OD1-OG 3.08Å; D144-C147 WeakPolarHBondContact O-CB 3.45Å; D144-C147 PolarHBondContact O-N 3.38Å
145S92.9Very high96.5Very high97 Ų9761.8 Ų61.868%0.67836%0.356SS*.G310 helixtrans-56.4-28-177.2640000113.3L143 C147 I148L143-S145 PolarHBondContact O-N 3.41Å; S145-C147 PolarHBondContact O-N 2.91Å; S145-I148 PolarHBondContact O-N 3.16Å; S145-I148 VanDerWaalsContact O-N 3.17Å
146S94.3Very high96.6Very high102 Ų10262.9 Ų62.971%0.71336%0.355SS*.G310 helixtrans-68.1-20.9175.568.50000113.8D144 I148D144-S146 PolarHBondContact O-N 3.37Å; D144-S146 VanDerWaalsContact O-N 3.07Å; D144-S146 WeakPolarHBondContact OD1-CB 3.07Å; D144-S146 PolarHBondContact OD1-N 3.21Å; D144-S146 PolarHBondContact OD1-OG 3.08Å; S146-I148 VanDerWaalsContact C-N 3.34Å
147C95.9Very high96.8Very high46 Ų4658.3 Ų58.331%0.31133%0.33SS..G310 helixtrans-84.6-7.8174.7-70.80000113.3W85 L143 D144 S145 P149W85-C147 HydrophobicContact CH2-CB 3.85Å; W85-C147 HydrophobicContact CZ2-CB 3.79Å; W85-C147 WeakPolarHBondContact CZ3-O 3.39Å; L143-C147 HydrophobicContact CB-CB 4.45Å; D144-C147 WeakPolarHBondContact O-CB 3.45Å; D144-C147 PolarHBondContact O-N 3.38Å; S145-C147 PolarHBondContact O-N 2.91Å; C147-P149 VanDerWaalsContact O-CD 3.29Å; C147-P149 WeakPolarHBondContact O-CD 3.44Å
148I97.3Very high96.9Very high19 Ų1956.4 Ų56.410%0.09732%0.322CS..SBendtrans-95.5104.6-177.2-53.8-177000109.1F133 P134 L143 S145 S146F133-I148 HydrophobicContact CE2-CG2 3.9Å; F133-I148 HydrophobicContact CZ-CB 4.48Å; F133-I148 HydrophobicContact CZ-CG2 3.89Å; P134-I148 HydrophobicContact CB-CG2 3.86Å; L143-I148 HydrophobicContact CB-CD1 4.37Å; L143-I148 HydrophobicContact CB-CG1 4.14Å; L143-I148 HydrophobicContact CD1-CG1 4.49Å; S145-I148 PolarHBondContact O-N 3.16Å; S145-I148 VanDerWaalsContact O-N 3.17Å; S146-I148 VanDerWaalsContact C-N 3.34Å
149P97.8Very high97Very high18 Ų1856.3 Ų56.312%0.11731%0.311CS..  trans-73.5138.2-17229.2-34.4000111.8W25 M91 C147 E152W25-P149 HydrophobicContact CD2-CG 4.37Å; W25-P149 VanDerWaalsContact CH2-CD 3.46Å; W25-P149 HydrophobicContact CH2-CG 3.83Å; W25-P149 HydrophobicContact CZ2-CG 3.61Å; W25-P149 HydrophobicContact CZ3-CG 4.3Å; M91-P149 HydrophobicContact CB-CB 3.98Å; M91-P149 HydrophobicContact CB-CG 3.75Å; M91-P149 HydrophobicContact CG-CB 4.05Å; M91-P149 HydrophobicContact CG-CG 3.92Å; C147-P149 VanDerWaalsContact O-CD 3.29Å; C147-P149 WeakPolarHBondContact O-CD 3.44Å; P149-E152 HydrophobicContact CB-CG 3.66Å; P149-E152 HydrophobicContact CG-CG 4.17Å
150R97.8Very high97.1Very high111 Ų11153.4 Ų53.442%0.41930%0.298SS..SBendtrans-83.8-21.9163.4-56.4-163.1-37.9170.89.9112.7G93 P125 V126 F133G93-R150 WeakPolarHBondContact CA-O 3.28Å; P125-R150 WeakPolarHBondContact CA-O 3.46Å; P125-R150 HydrophobicContact CB-CB 3.86Å; V126-R150 HydrophobicContact CG1-CB 4.29Å; V126-R150 WeakPolarHBondContact CG1-O 3.33Å; V126-R150 PolarHBondContact N-O 3.06Å; V126-R150 WeakPolarHBondContact O-CD 3.35Å; F133-R150 HydrophobicContact CD2-CG 4.49Å; F133-R150 HydrophobicContact CE2-CG 4.02Å
151T98.1Very high97.1Very high28 Ų2853.4 Ų53.417%0.17230%0.298CS..  trans-167.4157.2174.9-172.80000107.5P122 P123 P125P122-T151 HydrophobicContact CB-CG2 3.84Å; P122-T151 HydrophobicContact CG-CG2 4.4Å; P123-T151 WeakPolarHBondContact CD-OG1 3.09Å; P123-T151 WeakPolarHBondContact O-CB 3.28Å; P123-T151 WeakPolarHBondContact O-CG2 3.14Å; P123-T151 PolarHBondContact O-OG1 2.93Å; P125-T151 HydrophobicContact CB-CG2 3.99Å
152E98.2Very high97.2Very high10 Ų1051.3 Ų51.35%0.04728%0.277CS..  trans-136.4144.6173.9-74178.2139.100109.9R90 M91 P123 P149 D156 R160R90-E152 HydrophobicContact CG-CB 3.96Å; R90-E152 PolarHBondContact NE-O 2.7Å; R90-E152 PolarHBondContact NH2-O 3.13Å; M91-E152 HydrophobicContact CB-CB 4.01Å; M91-E152 HydrophobicContact CB-CG 3.77Å; M91-E152 PolarHBondContact N-OE2 2.71Å; M91-E152 PolarHBondContact O-N 3.38Å; P123-E152 VanDerWaalsContact CD-O 3.24Å; P123-E152 WeakPolarHBondContact CD-O 3.41Å; P149-E152 HydrophobicContact CB-CG 3.66Å; P149-E152 HydrophobicContact CG-CG 4.17Å; E152-D156 WeakPolarHBondContact CA-OD2 3.43Å; E152-D156 HydrophobicContact CB-CB 4.08Å; E152-D156 HydrophobicContact CG-CB 4.02Å; E152-R160 WeakPolarHBondContact OE1-CD 3.1Å; E152-R160 IonicContact OE1-CZ 3.77Å; E152-R160 IonicContact OE1-NE 3.31Å; E152-R160 PolarHBondContact OE1-NE 3.27Å; E152-R160 IonicContact OE1-NH2 3.77Å; E152-R160 IonicContact OE2-CZ 2.66Å; E152-R160 IonicContact OE2-NE 3.6Å; E152-R160 PolarHBondContact OE2-NE 3.29Å; E152-R160 IonicContact OE2-NH2 2.85Å; E152-R160 PolarHBondContact OE2-NH2 3.39Å
153C97.5Very high97.4Very high3 Ų344.7 Ų44.72%0.0225%0.245CC..  trans-89177.8153.868.40000111.6Y119 P122 K155 D156 T157Y119-C153 WeakPolarHBondContact O-CB 3.49Å; P122-C153 HydrophobicContact CB-CB 4.16Å; C153-K155 VanDerWaalsContact C-N 3.27Å; C153-D156 PolarHBondContact N-OD2 3.41Å; C153-D156 PolarHBondContact O-N 3.37Å; C153-D156 PolarHBondContact SG-OD2 3.3Å; C153-T157 PolarHBondContact O-N 3.24Å; C153-T157 PolarHBondContact O-OG1 3.3Å
154L97.5Very high97.5Very high3 Ų343.3 Ų43.32%0.01624%0.237CC..Hα-helixtrans-66.7-34.7176-178.358000110.6Y119 D156 T157 V158 N186 R189 I203 V204Y119-L154 HydrophobicContact CD2-CB 4.02Å; Y119-L154 HydrophobicContact CD2-CD2 4.01Å; Y119-L154 HydrophobicContact CD2-CG 4.01Å; Y119-L154 HydrophobicContact CE2-CB 4.43Å; Y119-L154 HydrophobicContact CE2-CD2 4.42Å; Y119-L154 HydrophobicContact CE2-CG 4.14Å; Y119-L154 PolarHBondContact O-N 3.44Å; L154-D156 PolarHBondContact O-N 3.14Å; L154-T157 WeakPolarHBondContact O-CB 3.49Å; L154-T157 PolarHBondContact O-N 2.81Å; L154-V158 WeakPolarHBondContact O-CG2 3.34Å; L154-V158 PolarHBondContact O-N 3.21Å; L154-N186 HydrophobicContact CD1-CB 3.85Å; L154-R189 HydrophobicContact CD1-CB 4.38Å; L154-I203 HydrophobicContact CD2-CG1 4.26Å; L154-I203 HydrophobicContact CD2-CG2 3.95Å; L154-V204 HydrophobicContact CD2-CG1 4.01Å
155K98.3Very high97.7Very high87 Ų8738.6 Ų38.638%0.37821%0.211SC..Hα-helixtrans-58.3-45.7174.1-175.6-178.1178.4178.20112.5Y119 D120 C153 T157 V158 Q159Y119-K155 HydrophobicContact CD1-CB 4.06Å; Y119-K155 HydrophobicContact CE1-CB 3.63Å; Y119-K155 HydrophobicContact CE1-CD 4.08Å; Y119-K155 HydrophobicContact CE1-CG 3.82Å; Y119-K155 HydrophobicContact CE2-CB 4.33Å; Y119-K155 PolarHBondContact O-N 3.02Å; D120-K155 HydrophobicContact CB-CB 4.48Å; D120-K155 HydrophobicContact CB-CD 4.12Å; C153-K155 VanDerWaalsContact C-N 3.27Å; K155-T157 VanDerWaalsContact C-N 3.29Å; K155-T157 PolarHBondContact O-N 3.33Å; K155-V158 WeakPolarHBondContact O-CB 3.45Å; K155-V158 PolarHBondContact O-N 3.37Å; K155-Q159 WeakPolarHBondContact O-CG 3.45Å; K155-Q159 PolarHBondContact O-N 3.21Å
156D98.3Very high97.9Very high54 Ų5438.5 Ų38.529%0.28920%0.199SC..Hα-helixtrans-62.4-40.9176.7-53.6-36.2000110.8E152 C153 L154 V158 Q159 R160E152-D156 WeakPolarHBondContact CA-OD2 3.43Å; E152-D156 HydrophobicContact CB-CB 4.08Å; E152-D156 HydrophobicContact CG-CB 4.02Å; C153-D156 PolarHBondContact N-OD2 3.41Å; C153-D156 PolarHBondContact O-N 3.37Å; C153-D156 PolarHBondContact SG-OD2 3.3Å; L154-D156 PolarHBondContact O-N 3.14Å; D156-V158 VanDerWaalsContact C-N 3.34Å; D156-V158 PolarHBondContact O-N 3.41Å; D156-Q159 PolarHBondContact O-N 2.72Å; D156-R160 PolarHBondContact O-N 3.07Å; D156-R160 VanDerWaalsContact O-N 3.12Å
157T98.5Very high98.1Very high0 Ų039.4 Ų39.40%020%0.195CC..Hα-helixtrans-59.8-44.5175.1-54.50000110.9C153 L154 K155 R160 V161 N186C153-T157 PolarHBondContact O-N 3.24Å; C153-T157 PolarHBondContact O-OG1 3.3Å; L154-T157 WeakPolarHBondContact O-CB 3.49Å; L154-T157 PolarHBondContact O-N 2.81Å; K155-T157 VanDerWaalsContact C-N 3.29Å; K155-T157 PolarHBondContact O-N 3.33Å; T157-R160 VanDerWaalsContact O-CG 3.28Å; T157-R160 WeakPolarHBondContact O-CG 3.44Å; T157-R160 PolarHBondContact O-N 3.31Å; T157-V161 HydrophobicContact CG2-CG2 4.19Å; T157-V161 WeakPolarHBondContact O-CB 3.23Å; T157-V161 WeakPolarHBondContact O-CG2 3.49Å; T157-V161 PolarHBondContact O-N 3.46Å; T157-N186 HydrophobicContact CG2-CB 4.3Å
158V98.4Very high98.2Very high13 Ų1339.3 Ų39.38%0.07919%0.194CC..Hα-helixtrans-58.8-48.2174.7172.60000110.8Y119 L154 K155 D156 R160 V161 L162 A190 K193Y119-V158 HydrophobicContact CE2-CG2 4.32Å; L154-V158 WeakPolarHBondContact O-CG2 3.34Å; L154-V158 PolarHBondContact O-N 3.21Å; K155-V158 WeakPolarHBondContact O-CB 3.45Å; K155-V158 PolarHBondContact O-N 3.37Å; D156-V158 VanDerWaalsContact C-N 3.34Å; D156-V158 PolarHBondContact O-N 3.41Å; V158-R160 VanDerWaalsContact C-N 3.28Å; V158-R160 PolarHBondContact O-N 2.99Å; V158-V161 PolarHBondContact O-N 3.08Å; V158-L162 HydrophobicContact CG1-CD1 3.67Å; V158-L162 HydrophobicContact CG1-CG 3.97Å; V158-L162 WeakPolarHBondContact O-CG 3.47Å; V158-L162 PolarHBondContact O-N 3.38Å; V158-A190 HydrophobicContact CB-CB 4.22Å; V158-A190 HydrophobicContact CG2-CB 3.63Å; V158-K193 HydrophobicContact CG2-CD 4.13Å
159Q98.3Very high98.3Very high117 Ų11738.4 Ų38.455%0.54719%0.189SC..Hα-helixtrans-59.1-35.7-178.1-74.1176.9-18.500113.3K155 D156 P163K155-Q159 WeakPolarHBondContact O-CG 3.45Å; K155-Q159 PolarHBondContact O-N 3.21Å; D156-Q159 PolarHBondContact O-N 2.72Å; Q159-P163 WeakPolarHBondContact O-CD 3.43Å; Q159-P163 WeakPolarHBondContact O-CG 3.31Å
160R98.3Very high98.3Very high12 Ų1238.3 Ų38.35%0.04519%0.189CC..Hα-helixtrans-85-27.4176.766.2164.1167.486.9-6.3114.6W85 R86 N88 E89 E152 D156 T157 V158W85-R160 HydrophobicContact CH2-CB 4.14Å; W85-R160 HydrophobicContact CZ3-CB 4.08Å; W85-R160 HydrophobicContact CZ3-CG 4.38Å; R86-R160 WeakPolarHBondContact CD-O 3.42Å; R86-R160 WeakPolarHBondContact CG-O 3.31Å; R86-R160 PolarHBondContact NH1-O 3.36Å; R86-R160 PolarHBondContact O-NH1 3.04Å; N88-R160 PolarHBondContact O-NH1 3.4Å; N88-R160 PolarHBondContact O-NH2 2.96Å; E89-R160 PolarHBondContact O-NH2 2.94Å; E152-R160 WeakPolarHBondContact OE1-CD 3.1Å; E152-R160 IonicContact OE1-CZ 3.77Å; E152-R160 IonicContact OE1-NE 3.31Å; E152-R160 PolarHBondContact OE1-NE 3.27Å; E152-R160 IonicContact OE1-NH2 3.77Å; E152-R160 IonicContact OE2-CZ 2.66Å; E152-R160 IonicContact OE2-NE 3.6Å; E152-R160 PolarHBondContact OE2-NE 3.29Å; E152-R160 IonicContact OE2-NH2 2.85Å; E152-R160 PolarHBondContact OE2-NH2 3.39Å; D156-R160 PolarHBondContact O-N 3.07Å; D156-R160 VanDerWaalsContact O-N 3.12Å; T157-R160 VanDerWaalsContact O-CG 3.28Å; T157-R160 WeakPolarHBondContact O-CG 3.44Å; T157-R160 PolarHBondContact O-N 3.31Å; V158-R160 VanDerWaalsContact C-N 3.28Å; V158-R160 PolarHBondContact O-N 2.99Å
161V98.8Very high98.3Very high1 Ų134.7 Ų34.71%0.00618%0.182CC..Hα-helixtrans-74.7-45.1-179.2167.70000110.9R86 T157 V158 F164 W165 A190 L191R86-V161 WeakPolarHBondContact O-CG2 3.5Å; T157-V161 HydrophobicContact CG2-CG2 4.19Å; T157-V161 WeakPolarHBondContact O-CB 3.23Å; T157-V161 WeakPolarHBondContact O-CG2 3.49Å; T157-V161 PolarHBondContact O-N 3.46Å; V158-V161 PolarHBondContact O-N 3.08Å; V161-F164 WeakPolarHBondContact O-CB 3.33Å; V161-F164 PolarHBondContact O-N 2.89Å; V161-W165 PolarHBondContact O-N 3.33Å; V161-W165 VanDerWaalsContact O-N 3.16Å; V161-A190 HydrophobicContact CB-CB 3.97Å; V161-A190 HydrophobicContact CG1-CB 4Å; V161-A190 HydrophobicContact CG2-CB 4.08Å; V161-L191 HydrophobicContact CG1-CD2 3.54Å; V161-L191 HydrophobicContact CG1-CG 3.76Å
162L98.7Very high98.3Very high32 Ų3233.4 Ų33.417%0.16818%0.175CC..Hα-helixtrans-62.6-37.7-172.2-67.9-174000115V158 F164 W165 F166 Y194V158-L162 HydrophobicContact CG1-CD1 3.67Å; V158-L162 HydrophobicContact CG1-CG 3.97Å; V158-L162 WeakPolarHBondContact O-CG 3.47Å; V158-L162 PolarHBondContact O-N 3.38Å; L162-F164 VanDerWaalsContact C-N 3.26Å; L162-F164 PolarHBondContact O-N 3.39Å; L162-W165 WeakPolarHBondContact O-CA 3.24Å; L162-W165 VanDerWaalsContact O-CB 3.31Å; L162-W165 WeakPolarHBondContact O-CB 3.44Å; L162-W165 PolarHBondContact O-N 2.92Å; L162-F166 HydrophobicContact CB-CD2 4.28Å; L162-F166 HydrophobicContact CB-CE2 3.93Å; L162-F166 WeakPolarHBondContact O-CD2 3.24Å; L162-F166 PolarHBondContact O-N 3.16Å; L162-Y194 HydrophobicContact CD1-CD2 4.46Å; L162-Y194 HydrophobicContact CD2-CD1 4.32Å; L162-Y194 HydrophobicContact CD2-CD2 4.29Å; L162-Y194 HydrophobicContact CD2-CG 3.78Å
163P98.6Very high98.2Very high39 Ų3932.9 Ų32.925%0.25317%0.172SC..Hα-helixtrans-56.2-40.9171.8-28.436.3000112.6Q159 W165 F166 D167Q159-P163 WeakPolarHBondContact O-CD 3.43Å; Q159-P163 WeakPolarHBondContact O-CG 3.31Å; P163-W165 VanDerWaalsContact C-N 3.31Å; P163-W165 PolarHBondContact O-N 2.9Å; P163-F166 PolarHBondContact O-N 3.29Å; P163-D167 VanDerWaalsContact O-CB 3.27Å; P163-D167 WeakPolarHBondContact O-CB 3.3Å; P163-D167 PolarHBondContact O-N 3.25Å
164F98.7Very high98.2Very high17 Ų1738.9 Ų38.98%0.07520%0.198CC..Hα-helixtrans-67.1-33.5176.4-168.3-113000112.7Y56 T82 T84 R86 L87 V161 L162 T168 I169Y56-F164 AromaticContact CD1-CE1 3.71Å; Y56-F164 HydrophobicContact CD1-CE1 3.71Å; Y56-F164 AromaticContact CD1-CZ 3.53Å; Y56-F164 HydrophobicContact CD1-CZ 3.53Å; Y56-F164 HydrophobicContact CE1-CE1 4.31Å; Y56-F164 AromaticContact CE1-CZ 3.86Å; Y56-F164 HydrophobicContact CE1-CZ 3.86Å; Y56-F164 HydrophobicContact CG-CE1 4.15Å; Y56-F164 HydrophobicContact CG-CZ 4.41Å; T82-F164 HydrophobicContact CG2-CE2 4.47Å; T82-F164 HydrophobicContact CG2-CZ 4.06Å; T84-F164 HydrophobicContact CG2-CD1 3.83Å; T84-F164 HydrophobicContact CG2-CD2 4.13Å; T84-F164 HydrophobicContact CG2-CE1 3.59Å; T84-F164 HydrophobicContact CG2-CE2 3.9Å; T84-F164 HydrophobicContact CG2-CG 4.1Å; T84-F164 HydrophobicContact CG2-CZ 3.63Å; R86-F164 HydrophobicContact CB-CB 4.07Å; R86-F164 HydrophobicContact CB-CG 4.49Å; L87-F164 HydrophobicContact CD1-CD1 4.14Å; L87-F164 HydrophobicContact CD1-CE1 3.84Å; L87-F164 HydrophobicContact CD2-CD1 4.39Å; L87-F164 HydrophobicContact CG-CD1 4.05Å; L87-F164 HydrophobicContact CG-CE1 4.23Å; V161-F164 WeakPolarHBondContact O-CB 3.33Å; V161-F164 PolarHBondContact O-N 2.89Å; L162-F164 VanDerWaalsContact C-N 3.26Å; L162-F164 PolarHBondContact O-N 3.39Å; F164-T168 HydrophobicContact CE2-CG2 3.78Å; F164-T168 HydrophobicContact CZ-CG2 3.87Å; F164-T168 WeakPolarHBondContact O-CB 3.41Å; F164-T168 PolarHBondContact O-N 3Å; F164-T168 VanDerWaalsContact O-N 3.16Å; F164-I169 HydrophobicContact CD1-CD1 3.59Å; F164-I169 HydrophobicContact CD1-CG1 4.04Å; F164-I169 HydrophobicContact CE1-CD1 3.84Å; F164-I169 HydrophobicContact CE1-CG1 3.92Å; F164-I169 PolarHBondContact O-N 3.2Å; F164-I169 VanDerWaalsContact O-N 3.16Å
165W98.6Very high98.1Very high2 Ų245.2 Ų45.21%0.00822%0.222CC..Iπ-helixtrans-60.4-53.7170.7169.7-93.4000111.4I6 V161 L162 P163 I169 S170 I173 L191 Y194 L195 L218I6-W165 HydrophobicContact CD1-CZ3 4.04Å; V161-W165 PolarHBondContact O-N 3.33Å; V161-W165 VanDerWaalsContact O-N 3.16Å; L162-W165 WeakPolarHBondContact O-CA 3.24Å; L162-W165 VanDerWaalsContact O-CB 3.31Å; L162-W165 WeakPolarHBondContact O-CB 3.44Å; L162-W165 PolarHBondContact O-N 2.92Å; P163-W165 VanDerWaalsContact C-N 3.31Å; P163-W165 PolarHBondContact O-N 2.9Å; W165-I169 HydrophobicContact CD2-CG2 4.46Å; W165-I169 HydrophobicContact CE3-CB 4Å; W165-I169 HydrophobicContact CE3-CD1 4.29Å; W165-I169 HydrophobicContact CE3-CG2 3.56Å; W165-I169 HydrophobicContact CH2-CG2 4.47Å; W165-I169 HydrophobicContact CZ3-CG2 3.59Å; W165-I169 PolarHBondContact O-N 2.99Å; W165-S170 VanDerWaalsContact O-CB 3.26Å; W165-S170 WeakPolarHBondContact O-CB 3.47Å; W165-S170 PolarHBondContact O-N 2.72Å; W165-S170 PolarHBondContact O-OG 2.74Å; W165-I173 HydrophobicContact CH2-CD1 3.71Å; W165-I173 HydrophobicContact CZ2-CD1 4.39Å; W165-I173 HydrophobicContact CZ3-CD1 4.12Å; W165-L191 HydrophobicContact CB-CD2 3.94Å; W165-L191 HydrophobicContact CD2-CD2 4.27Å; W165-L191 HydrophobicContact CE3-CD2 3.79Å; W165-L191 HydrophobicContact CG-CD2 4.35Å; W165-Y194 AromaticContact CD1-CE1 3.7Å; W165-Y194 AromaticContact CE2-CE1 3.73Å; W165-Y194 HydrophobicContact CZ2-CE1 4.22Å; W165-Y194 AromaticContact NE1-CD1 3.86Å; W165-Y194 AromaticContact NE1-CE1 3.15Å; W165-Y194 AromaticContact NE1-CZ 3.87Å; W165-L195 HydrophobicContact CH2-CD1 4.27Å; W165-L195 HydrophobicContact CH2-CD2 3.71Å; W165-L195 HydrophobicContact CH2-CG 4.38Å; W165-L195 HydrophobicContact CZ2-CD2 3.69Å; W165-L195 HydrophobicContact CZ3-CD1 4.48Å; W165-L218 HydrophobicContact CH2-CD1 4.32Å
166F98.3Very high98Very high94 Ų9447 Ų4741%0.41223%0.226SC..Iπ-helixtrans-67.1-46-176.1-67.1-58.3000112.4L162 P163 S170 Y194L162-F166 HydrophobicContact CB-CD2 4.28Å; L162-F166 HydrophobicContact CB-CE2 3.93Å; L162-F166 WeakPolarHBondContact O-CD2 3.24Å; L162-F166 PolarHBondContact O-N 3.16Å; P163-F166 PolarHBondContact O-N 3.29Å; F166-S170 PolarHBondContact O-OG 3.34Å; F166-Y194 HydrophobicContact CE1-CE1 4.35Å; F166-Y194 AromaticContact CE1-CE2 3.95Å; F166-Y194 HydrophobicContact CE1-CE2 3.95Å; F166-Y194 AromaticContact CE1-CZ 3.62Å; F166-Y194 VanDerWaalsContact CE1-OH 3.32Å; F166-Y194 WeakPolarHBondContact CE1-OH 3.48Å; F166-Y194 HydrophobicContact CZ-CD2 4.2Å; F166-Y194 HydrophobicContact CZ-CE1 4.47Å; F166-Y194 AromaticContact CZ-CE2 3.52Å; F166-Y194 HydrophobicContact CZ-CE2 3.52Å; F166-Y194 AromaticContact CZ-CZ 3.68Å
167D98Very high97.9Very high121 Ų12146.7 Ų46.765%0.64722%0.223SC*.Iπ-helixtrans-79.7-27.3-170.7-60-20.9000112.9P163P163-D167 VanDerWaalsContact O-CB 3.27Å; P163-D167 WeakPolarHBondContact O-CB 3.3Å; P163-D167 PolarHBondContact O-N 3.25Å
168T98.6Very high97.9Very high44 Ų4450.2 Ų50.227%0.2724%0.239SC..Iπ-helixtrans-128.3-58.8-168.8-53.90000113.4Y56 F164 A171 S172Y56-T168 HydrophobicContact CE1-CG2 3.62Å; F164-T168 HydrophobicContact CE2-CG2 3.78Å; F164-T168 HydrophobicContact CZ-CG2 3.87Å; F164-T168 WeakPolarHBondContact O-CB 3.41Å; F164-T168 PolarHBondContact O-N 3Å; F164-T168 VanDerWaalsContact O-N 3.16Å; T168-A171 PolarHBondContact O-N 2.81Å; T168-S172 PolarHBondContact O-N 3.23Å; T168-S172 PolarHBondContact O-OG 3.2Å
169I98.5Very high97.9Very high0 Ų049.6 Ų49.60%024%0.236CC..Iπ-helixtrans-65.1-47.4-174.1-64.3160000110.3I6 Y56 F164 W165 A171 S172 I173 V179 I181I6-I169 HydrophobicContact CD1-CG2 3.71Å; Y56-I169 HydrophobicContact CD2-CG1 4.02Å; Y56-I169 HydrophobicContact CE2-CG1 4.13Å; Y56-I169 HydrophobicContact CG-CG1 4.31Å; F164-I169 HydrophobicContact CD1-CD1 3.59Å; F164-I169 HydrophobicContact CD1-CG1 4.04Å; F164-I169 HydrophobicContact CE1-CD1 3.84Å; F164-I169 HydrophobicContact CE1-CG1 3.92Å; F164-I169 PolarHBondContact O-N 3.2Å; F164-I169 VanDerWaalsContact O-N 3.16Å; W165-I169 HydrophobicContact CD2-CG2 4.46Å; W165-I169 HydrophobicContact CE3-CB 4Å; W165-I169 HydrophobicContact CE3-CD1 4.29Å; W165-I169 HydrophobicContact CE3-CG2 3.56Å; W165-I169 HydrophobicContact CH2-CG2 4.47Å; W165-I169 HydrophobicContact CZ3-CG2 3.59Å; W165-I169 PolarHBondContact O-N 2.99Å; I169-A171 VanDerWaalsContact C-N 3.3Å; I169-A171 PolarHBondContact O-N 3.1Å; I169-S172 VanDerWaalsContact O-CB 3.31Å; I169-S172 WeakPolarHBondContact O-CB 3.33Å; I169-S172 PolarHBondContact O-N 3.35Å; I169-S172 VanDerWaalsContact O-N 3.1Å; I169-I173 HydrophobicContact CG2-CD1 3.97Å; I169-I173 HydrophobicContact CG2-CG1 4.43Å; I169-I173 WeakPolarHBondContact O-CG1 3.49Å; I169-I173 PolarHBondContact O-N 2.77Å; I169-V179 HydrophobicContact CG2-CG1 4.48Å; I169-I181 HydrophobicContact CD1-CD1 3.51Å; I169-I181 HydrophobicContact CG1-CD1 4.08Å; I169-I181 HydrophobicContact CG2-CD1 4.09Å
170S97.7Very high97.9Very high16 Ų1644 Ų4411%0.11221%0.21CC..Hα-helixtrans-62.6-37.2-177.185.10000112.5W165 F166 S172 I173 K174W165-S170 VanDerWaalsContact O-CB 3.26Å; W165-S170 WeakPolarHBondContact O-CB 3.47Å; W165-S170 PolarHBondContact O-N 2.72Å; W165-S170 PolarHBondContact O-OG 2.74Å; F166-S170 PolarHBondContact O-OG 3.34Å; S170-S172 VanDerWaalsContact C-N 3.34Å; S170-I173 PolarHBondContact O-N 2.88Å; S170-K174 WeakPolarHBondContact O-CG 3.4Å; S170-K174 PolarHBondContact O-N 3.01Å
171A97.4Very high97.9Very high35 Ų3543.5 Ų43.529%0.28921%0.208SC..Hα-helixtrans-64.7-40.2176.100000111.4T168 I169 K174 R175T168-A171 PolarHBondContact O-N 2.81Å; I169-A171 VanDerWaalsContact C-N 3.3Å; I169-A171 PolarHBondContact O-N 3.1Å; A171-K174 PolarHBondContact O-N 3.03Å; A171-R175 WeakPolarHBondContact O-CG 3.38Å; A171-R175 PolarHBondContact O-N 3.04Å; A171-R175 VanDerWaalsContact O-N 3.08Å
172S98Very high97.9Very high1 Ų143.4 Ų43.41%0.00721%0.207CC..Hα-helixtrans-62.1-47.6176.4-53.40000111.6Y56 T168 I169 S170 K174 R175 E177Y56-S172 PolarHBondContact OH-OG 2.74Å; T168-S172 PolarHBondContact O-N 3.23Å; T168-S172 PolarHBondContact O-OG 3.2Å; I169-S172 VanDerWaalsContact O-CB 3.31Å; I169-S172 WeakPolarHBondContact O-CB 3.33Å; I169-S172 PolarHBondContact O-N 3.35Å; I169-S172 VanDerWaalsContact O-N 3.1Å; S170-S172 VanDerWaalsContact C-N 3.34Å; S172-K174 VanDerWaalsContact C-N 3.32Å; S172-K174 PolarHBondContact O-N 3.31Å; S172-R175 VanDerWaalsContact CA-NH2 3.33Å; S172-R175 WeakPolarHBondContact O-CB 3.15Å; S172-R175 PolarHBondContact O-N 3.11Å; S172-R175 PolarHBondContact OG-NH2 3.19Å; S172-R175 VanDerWaalsContact OG-NH2 3.08Å; S172-E177 VanDerWaalsContact CA-OE2 3.26Å; S172-E177 WeakPolarHBondContact CA-OE2 3.2Å; S172-E177 WeakPolarHBondContact CB-OE2 3.3Å; S172-E177 WeakPolarHBondContact O-CB 3.05Å; S172-E177 PolarHBondContact O-N 2.71Å; S172-E177 PolarHBondContact OG-OE2 3.41Å
173I97.5Very high97.9Very high0 Ų041.9 Ų41.90%020%0.199CC..Hα-helixtrans-59.6-44176.1-58.6166.8000110.9Y4 I6 W165 I169 S170 R175 R176 V179 L218 L222Y4-I173 VanDerWaalsContact CB-CG2 3.45Å; Y4-I173 HydrophobicContact CD1-CG2 3.82Å; Y4-I173 WeakPolarHBondContact CD1-O 3.36Å; Y4-I173 HydrophobicContact CD2-CG2 4.03Å; Y4-I173 WeakPolarHBondContact CE1-O 3.5Å; Y4-I173 HydrophobicContact CG-CG2 3.52Å; I6-I173 HydrophobicContact CD1-CD1 3.84Å; I6-I173 HydrophobicContact CD1-CG1 4.38Å; W165-I173 HydrophobicContact CH2-CD1 3.71Å; W165-I173 HydrophobicContact CZ2-CD1 4.39Å; W165-I173 HydrophobicContact CZ3-CD1 4.12Å; I169-I173 HydrophobicContact CG2-CD1 3.97Å; I169-I173 HydrophobicContact CG2-CG1 4.43Å; I169-I173 WeakPolarHBondContact O-CG1 3.49Å; I169-I173 PolarHBondContact O-N 2.77Å; S170-I173 PolarHBondContact O-N 2.88Å; I173-R175 PolarHBondContact O-N 3.17Å; I173-R176 WeakPolarHBondContact O-CA 3.27Å; I173-R176 PolarHBondContact O-N 3.49Å; I173-V179 HydrophobicContact CG1-CG2 3.91Å; I173-L218 HydrophobicContact CD1-CD1 4.02Å; I173-L218 HydrophobicContact CG2-CD1 4.5Å; I173-L222 HydrophobicContact CB-CD2 4.1Å; I173-L222 HydrophobicContact CG2-CD2 3.49Å; I173-L222 VanDerWaalsContact CG2-CD2 3.49Å
174K96.1Very high97.9Very high128 Ų12840 Ų4056%0.55719%0.187SC*.Hα-helixtrans-64.9-23.6178-75.8-179.8177.8-179.90113.6S170 A171 S172 R176 L222S170-K174 WeakPolarHBondContact O-CG 3.4Å; S170-K174 PolarHBondContact O-N 3.01Å; A171-K174 PolarHBondContact O-N 3.03Å; S172-K174 VanDerWaalsContact C-N 3.32Å; S172-K174 PolarHBondContact O-N 3.31Å; K174-R176 PolarHBondContact O-N 2.89Å; K174-L222 HydrophobicContact CG-CD1 4.27Å; K174-L222 HydrophobicContact CG-CD2 4.39Å
175R95.8Very high97.8Very high137 Ų13739.4 Ų39.452%0.51719%0.186SC..THydrogen-bonded Turntrans-78.45.4169.1-68.5-170.5-56.3-87.2-3113.5A171 S172 I173 E177A171-R175 WeakPolarHBondContact O-CG 3.38Å; A171-R175 PolarHBondContact O-N 3.04Å; A171-R175 VanDerWaalsContact O-N 3.08Å; S172-R175 VanDerWaalsContact CA-NH2 3.33Å; S172-R175 WeakPolarHBondContact O-CB 3.15Å; S172-R175 PolarHBondContact O-N 3.11Å; S172-R175 PolarHBondContact OG-NH2 3.19Å; S172-R175 VanDerWaalsContact OG-NH2 3.08Å; I173-R175 PolarHBondContact O-N 3.17Å; R175-E177 HydrophobicContact CB-CG 4.24Å; R175-E177 IonicContact CZ-OE1 3.4Å; R175-E177 IonicContact CZ-OE2 3.67Å; R175-E177 IonicContact NE-OE1 3.93Å; R175-E177 PolarHBondContact NE-OE1 2.86Å; R175-E177 IonicContact NE-OE2 2.79Å; R175-E177 IonicContact NH2-OE1 3.12Å; R175-E177 PolarHBondContact NH2-OE1 2.65Å; R175-E177 VanDerWaalsContact NH2-OE1 3.12Å; R175-E177 IonicContact NH2-OE2 2.85Å; R175-E177 PolarHBondContact NH2-OE2 2.96Å; R175-E177 PolarHBondContact O-N 3.04Å
176R95.7Very high97.8Very high125 Ų12539.5 Ų39.547%0.47219%0.186SC..THydrogen-bonded Turntrans63.819-175.7-68.5-176.6173.2-76.3-7.1114.4M1 Y4 I173 K174M1-R176 PolarHBondContact SD-NH2 3.25Å; M1-R176 VanDerWaalsContact SD-NH2 3.42Å; Y4-R176 HydrophobicContact CD1-CG 4.32Å; Y4-R176 HydrophobicContact CE1-CG 3.67Å; I173-R176 WeakPolarHBondContact O-CA 3.27Å; I173-R176 PolarHBondContact O-N 3.49Å; K174-R176 PolarHBondContact O-N 2.89Å
177E97.3Very high97.8Very high46 Ų4635 Ų3522%0.21517%0.167CC..  trans-67.2135.7171.4-66.5164-173.200109.5D53 I54 S172 R175 V179D53-E177 HydrophobicContact CB-CB 4Å; D53-E177 HydrophobicContact CB-CG 4.19Å; D53-E177 WeakPolarHBondContact OD2-CA 3.38Å; I54-E177 HydrophobicContact CG2-CB 4.13Å; S172-E177 VanDerWaalsContact CA-OE2 3.26Å; S172-E177 WeakPolarHBondContact CA-OE2 3.2Å; S172-E177 WeakPolarHBondContact CB-OE2 3.3Å; S172-E177 WeakPolarHBondContact O-CB 3.05Å; S172-E177 PolarHBondContact O-N 2.71Å; S172-E177 PolarHBondContact OG-OE2 3.41Å; R175-E177 HydrophobicContact CB-CG 4.24Å; R175-E177 IonicContact CZ-OE1 3.4Å; R175-E177 IonicContact CZ-OE2 3.67Å; R175-E177 IonicContact NE-OE1 3.93Å; R175-E177 PolarHBondContact NE-OE1 2.86Å; R175-E177 IonicContact NE-OE2 2.79Å; R175-E177 IonicContact NH2-OE1 3.12Å; R175-E177 PolarHBondContact NH2-OE1 2.65Å; R175-E177 VanDerWaalsContact NH2-OE1 3.12Å; R175-E177 IonicContact NH2-OE2 2.85Å; R175-E177 PolarHBondContact NH2-OE2 2.96Å; R175-E177 PolarHBondContact O-N 3.04Å; E177-V179 HydrophobicContact CB-CG2 4.48Å; E177-V179 PolarHBondContact O-N 2.85Å
178Q97.6Very high97.8Very high74 Ų7429.3 Ų29.335%0.34614%0.136SC..  trans-77.2109.2169.5-63-168.83100108.5T51 F52 D53 I54T51-Q178 VanDerWaalsContact CG2-OE1 3.27Å; T51-Q178 WeakPolarHBondContact O-CB 3.2Å; T51-Q178 PolarHBondContact O-OE1 2.66Å; F52-Q178 WeakPolarHBondContact CA-O 3.42Å; F52-Q178 HydrophobicContact CD1-CB 4.37Å; D53-Q178 PolarHBondContact N-O 3.46Å; D53-Q178 PolarHBondContact OD2-N 2.91Å; I54-Q178 PolarHBondContact N-O 3.04Å
179V98.7Very high97.8Very high1 Ų128.5 Ų28.51%0.00613%0.128CC..EExtended strand (participates in β ladder)trans-98.6130.4-170.3-179.40000111.6I6 V7 I54 Y56 I169 I173 E177 I181I6-V179 HydrophobicContact CD1-CB 3.97Å; I6-V179 HydrophobicContact CD1-CG1 3.72Å; I6-V179 HydrophobicContact CG1-CB 3.95Å; I6-V179 HydrophobicContact CG1-CG1 4.01Å; V7-V179 PolarHBondContact N-O 3.14Å; I54-V179 HydrophobicContact CG2-CB 4.41Å; I54-V179 HydrophobicContact CG2-CG1 4.47Å; I54-V179 HydrophobicContact CG2-CG2 3.82Å; Y56-V179 HydrophobicContact CD2-CG1 3.61Å; Y56-V179 HydrophobicContact CE2-CG1 3.73Å; I169-V179 HydrophobicContact CG2-CG1 4.48Å; I173-V179 HydrophobicContact CG1-CG2 3.91Å; E177-V179 HydrophobicContact CB-CG2 4.48Å; E177-V179 PolarHBondContact O-N 2.85Å; V179-I181 HydrophobicContact CG1-CG1 4.1Å
180L98.9Very high97.8Very high0 Ų028.5 Ų28.50%013%0.128CC..EExtended strand (participates in β ladder)trans-107.7133.2167.1178.259.5000110.6V7 I9 F52 I54 A55 Y56 L67 V70 L71 V182V7-L180 HydrophobicContact CB-CD1 4.07Å; V7-L180 HydrophobicContact CG1-CD1 3.95Å; I9-L180 HydrophobicContact CD1-CD1 3.77Å; I9-L180 HydrophobicContact CG1-CD1 4.03Å; F52-L180 HydrophobicContact CB-CB 4.37Å; F52-L180 HydrophobicContact CD1-CB 3.56Å; F52-L180 HydrophobicContact CD2-CB 4.11Å; F52-L180 HydrophobicContact CD2-CD2 4.08Å; F52-L180 HydrophobicContact CE1-CB 3.76Å; F52-L180 HydrophobicContact CE1-CD1 4.31Å; F52-L180 HydrophobicContact CE2-CB 4.31Å; F52-L180 HydrophobicContact CE2-CD1 4.35Å; F52-L180 HydrophobicContact CE2-CD2 4.12Å; F52-L180 HydrophobicContact CE2-CG 4.5Å; F52-L180 HydrophobicContact CG-CB 3.73Å; F52-L180 HydrophobicContact CG-CD2 4.49Å; F52-L180 HydrophobicContact CZ-CB 4.13Å; F52-L180 HydrophobicContact CZ-CD1 4.01Å; F52-L180 HydrophobicContact CZ-CG 4.45Å; I54-L180 PolarHBondContact O-N 2.9Å; A55-L180 CarbonylContact C-O 3.49Å; A55-L180 VanDerWaalsContact CA-O 3.28Å; A55-L180 WeakPolarHBondContact CA-O 3.48Å; A55-L180 HydrophobicContact CB-CB 4.23Å; Y56-L180 PolarHBondContact N-O 3.43Å; L67-L180 HydrophobicContact CD1-CD2 3.55Å; L67-L180 HydrophobicContact CD1-CG 4.26Å; V70-L180 HydrophobicContact CG1-CD2 3.92Å; L71-L180 HydrophobicContact CD2-CD2 4.29Å; L180-V182 HydrophobicContact CD1-CG2 4.15Å; L180-V182 HydrophobicContact CD2-CG2 4.17Å; L180-V182 HydrophobicContact CG-CG2 4Å
181I98.9Very high97.9Very high0 Ų027.8 Ų27.80%012%0.123CC..EExtended strand (participates in β ladder)trans-121.9120.1169-48.6-167.6000109.8I6 V7 F8 I9 Y56 L87 I169 V179 A183 L188 L191I6-I181 HydrophobicContact CD1-CD1 3.91Å; I6-I181 HydrophobicContact CD1-CG1 4.17Å; V7-I181 PolarHBondContact O-N 3.08Å; F8-I181 CarbonylContact C-O 3.58Å; F8-I181 WeakPolarHBondContact CA-O 3.5Å; F8-I181 HydrophobicContact CD1-CB 3.9Å; F8-I181 HydrophobicContact CD1-CD1 4.14Å; F8-I181 HydrophobicContact CD1-CG1 4.08Å; F8-I181 HydrophobicContact CE1-CB 4.4Å; F8-I181 HydrophobicContact CE1-CD1 3.75Å; F8-I181 HydrophobicContact CE1-CG1 4.11Å; I9-I181 PolarHBondContact N-O 2.84Å; Y56-I181 HydrophobicContact CD2-CG1 4.37Å; Y56-I181 WeakPolarHBondContact O-CA 3.39Å; L87-I181 HydrophobicContact CD1-CG2 4.04Å; I169-I181 HydrophobicContact CD1-CD1 3.51Å; I169-I181 HydrophobicContact CG1-CD1 4.08Å; I169-I181 HydrophobicContact CG2-CD1 4.09Å; V179-I181 HydrophobicContact CG1-CG1 4.1Å; I181-A183 HydrophobicContact CG2-CB 4.17Å; I181-L188 HydrophobicContact CG2-CD2 4.33Å; I181-L191 HydrophobicContact CD1-CD1 4.01Å
182V99Very high97.9Very high0 Ų026.4 Ų26.40%011%0.11CC..EExtended strand (participates in β ladder)trans-112.8111.6172.6-174.90000109.2I9 Y56 T57 A63 T66 L67 L180I9-V182 HydrophobicContact CB-CG1 4.46Å; I9-V182 HydrophobicContact CB-CG2 4.15Å; I9-V182 HydrophobicContact CD1-CG2 4.27Å; I9-V182 WeakPolarHBondContact O-CA 3.2Å; Y56-V182 PolarHBondContact O-N 2.94Å; T57-V182 VanDerWaalsContact CA-O 3.29Å; T57-V182 WeakPolarHBondContact CA-O 3.28Å; T57-V182 VanDerWaalsContact CB-O 3.26Å; T57-V182 WeakPolarHBondContact CB-O 3.29Å; T57-V182 PolarHBondContact OG1-O 3.4Å; A63-V182 WeakPolarHBondContact O-CG1 3.33Å; T66-V182 HydrophobicContact CG2-CG1 3.62Å; L67-V182 HydrophobicContact CB-CB 3.94Å; L67-V182 HydrophobicContact CB-CG1 4.27Å; L67-V182 HydrophobicContact CB-CG2 3.91Å; L67-V182 HydrophobicContact CD1-CB 4.45Å; L67-V182 HydrophobicContact CD1-CG2 3.68Å; L67-V182 HydrophobicContact CG-CG2 4.36Å; L180-V182 HydrophobicContact CD1-CG2 4.15Å; L180-V182 HydrophobicContact CD2-CG2 4.17Å; L180-V182 HydrophobicContact CG-CG2 4Å
183A98.9Very high97.9Very high0 Ų027.9 Ų27.90%012%0.117CC..EExtended strand (participates in β ladder)trans-147.2-148.5-171.300000112.1I9 H11 L87 I181 L188I9-A183 PolarHBondContact O-N 2.84Å; H11-A183 PolarHBondContact CD2-O 2.9Å; H11-A183 PolarHBondContact N-O 3.02Å; L87-A183 HydrophobicContact CB-CB 4.49Å; I181-A183 HydrophobicContact CG2-CB 4.17Å; A183-L188 HydrophobicContact CB-CD2 4Å; A183-L188 HydrophobicContact CB-CG 4.12Å
184H98.6Very high98Very high0 Ų032.5 Ų32.50%014%0.135CC..  trans-118.9168.3-169.6-53.6-96.7000112H11 S58 R62 L87 E89 N186 S187 L188H11-H184 AromaticContact CD2-CE1 3.82Å; H11-H184 AromaticContact CD2-CG 3.84Å; H11-H184 AromaticContact CD2-ND1 3.2Å; H11-H184 PolarHBondContact CD2-ND1 2.86Å; H11-H184 AromaticContact NE2-ND1 3.39Å; H11-H184 PolarHBondContact NE2-ND1 2.68Å; S58-H184 WeakPolarHBondContact CB-NE2 3.22Å; S58-H184 PolarHBondContact OG-NE2 3.23Å; R62-H184 PolarHBondContact NE-CE1 3.34Å; R62-H184 VanDerWaalsContact NE-CE1 3.3Å; R62-H184 PolarHBondContact NE-ND1 2.95Å; R62-H184 PolarHBondContact NH2-CE1 2.98Å; R62-H184 PolarHBondContact NH2-ND1 3.17Å; L87-H184 PolarHBondContact O-CD2 3.29Å; E89-H184 HydrophobicContact CB-CB 3.68Å; E89-H184 HydrophobicContact CG-CB 4.17Å; E89-H184 PolarHBondContact N-CD2 3.3Å; H184-N186 PolarHBondContact O-N 3.09Å; H184-S187 PolarHBondContact N-OG 3.32Å; H184-S187 VanDerWaalsContact N-OG 3.09Å; H184-S187 PolarHBondContact O-OG 3.12Å; H184-S187 VanDerWaalsContact O-OG 3.06Å; H184-L188 WeakPolarHBondContact O-CB 3.2Å; H184-L188 VanDerWaalsContact O-CG 3.26Å; H184-L188 WeakPolarHBondContact O-CG 3.46Å; H184-L188 PolarHBondContact O-N 3.28Å
185G96.8Very high98.1Very high4 Ų427 Ų274%0.04111%0.112CC..Hα-helixtrans-55.7-52.3-175.600000112.6E89 R189E89-G185 PolarHBondContact OE2-N 3.11Å; G185-R189 VanDerWaalsContact O-CG 3.31Å; G185-R189 WeakPolarHBondContact O-CG 3.47Å; G185-R189 PolarHBondContact O-N 2.88Å
186N97.6Very high98.1Very high4 Ų423.1 Ų23.12%0.02110%0.101CC..Hα-helixtrans-80.1-30.5-174.5-59.9-68.8000113.5E89 R90 L154 T157 H184 L188 R189 A190E89-N186 WeakPolarHBondContact OE1-CB 3.21Å; E89-N186 PolarHBondContact OE1-N 2.95Å; E89-N186 PolarHBondContact OE1-ND2 3.33Å; R90-N186 HydrophobicContact CB-CB 3.83Å; L154-N186 HydrophobicContact CD1-CB 3.85Å; T157-N186 HydrophobicContact CG2-CB 4.3Å; H184-N186 PolarHBondContact O-N 3.09Å; N186-L188 VanDerWaalsContact C-N 3.35Å; N186-R189 PolarHBondContact O-N 2.83Å; N186-R189 PolarHBondContact OD1-NH1 3.06Å; N186-A190 PolarHBondContact O-N 3.06Å
187S98.7Very high98.2Very high0 Ų024.1 Ų24.10%012%0.116CC..Hα-helixtrans-67.3-37.2173.558.40000111.7L87 H184 A190 L191L87-S187 PolarHBondContact O-OG 3.34Å; H184-S187 PolarHBondContact N-OG 3.32Å; H184-S187 VanDerWaalsContact N-OG 3.09Å; H184-S187 PolarHBondContact O-OG 3.12Å; H184-S187 VanDerWaalsContact O-OG 3.06Å; S187-A190 WeakPolarHBondContact O-CB 3.45Å; S187-A190 PolarHBondContact O-N 2.88Å; S187-L191 PolarHBondContact O-N 3.13Å
188L98.7Very high98.2Very high1 Ų123.4 Ų23.41%0.00511%0.114CC..Hα-helixtrans-72.9-38.4174.1-67.2179.6000111.7F8 R10 I181 A183 H184 N186 A190 L191 I192 I208F8-L188 HydrophobicContact CB-CD1 4.44Å; F8-L188 HydrophobicContact CB-CD2 4Å; F8-L188 HydrophobicContact CD1-CD2 4.44Å; F8-L188 HydrophobicContact CG-CD2 4.19Å; R10-L188 HydrophobicContact CB-CD1 3.93Å; I181-L188 HydrophobicContact CG2-CD2 4.33Å; A183-L188 HydrophobicContact CB-CD2 4Å; A183-L188 HydrophobicContact CB-CG 4.12Å; H184-L188 WeakPolarHBondContact O-CB 3.2Å; H184-L188 VanDerWaalsContact O-CG 3.26Å; H184-L188 WeakPolarHBondContact O-CG 3.46Å; H184-L188 PolarHBondContact O-N 3.28Å; N186-L188 VanDerWaalsContact C-N 3.35Å; L188-A190 PolarHBondContact O-N 3.36Å; L188-L191 HydrophobicContact CD2-CD1 4.26Å; L188-L191 PolarHBondContact O-N 3.42Å; L188-L191 VanDerWaalsContact O-N 3.14Å; L188-I192 WeakPolarHBondContact O-CG1 3.31Å; L188-I192 PolarHBondContact O-N 3.44Å; L188-I208 HydrophobicContact CB-CD1 3.55Å
189R98Very high98.2Very high27 Ų2722 Ų2210%0.10211%0.113CC..Hα-helixtrans-55.2-40.9169.4-79175.3-178.9156.8-7.9111.6L154 G185 N186 L191 I192 K193 I203 L206 N207 I208L154-R189 HydrophobicContact CD1-CB 4.38Å; G185-R189 VanDerWaalsContact O-CG 3.31Å; G185-R189 WeakPolarHBondContact O-CG 3.47Å; G185-R189 PolarHBondContact O-N 2.88Å; N186-R189 PolarHBondContact O-N 2.83Å; N186-R189 PolarHBondContact OD1-NH1 3.06Å; R189-L191 VanDerWaalsContact C-N 3.34Å; R189-L191 PolarHBondContact O-N 2.74Å; R189-I192 PolarHBondContact O-N 3.46Å; R189-K193 VanDerWaalsContact O-CB 3.28Å; R189-K193 WeakPolarHBondContact O-CB 3.44Å; R189-K193 PolarHBondContact O-N 3.28Å; R189-I203 HydrophobicContact CB-CD1 4.07Å; R189-I203 HydrophobicContact CB-CG1 4.11Å; R189-I203 HydrophobicContact CG-CD1 4.34Å; R189-I203 WeakPolarHBondContact O-CD1 3.38Å; R189-L206 HydrophobicContact CG-CD2 4.43Å; R189-L206 PolarHBondContact NE-O 3.15Å; R189-L206 PolarHBondContact NH2-O 3.45Å; R189-N207 PolarHBondContact NH2-OD1 3.11Å; R189-I208 HydrophobicContact CG-CD1 3.82Å; R189-I208 HydrophobicContact CG-CG1 4.37Å
190A98.4Very high98.1Very high0 Ų025.5 Ų25.50%013%0.132CC..Hα-helixtrans-60.4-42.3177.400000112.9V158 V161 N186 S187 L188 Y194V158-A190 HydrophobicContact CB-CB 4.22Å; V158-A190 HydrophobicContact CG2-CB 3.63Å; V161-A190 HydrophobicContact CB-CB 3.97Å; V161-A190 HydrophobicContact CG1-CB 4Å; V161-A190 HydrophobicContact CG2-CB 4.08Å; N186-A190 PolarHBondContact O-N 3.06Å; S187-A190 WeakPolarHBondContact O-CB 3.45Å; S187-A190 PolarHBondContact O-N 2.88Å; L188-A190 PolarHBondContact O-N 3.36Å; A190-Y194 PolarHBondContact O-N 3.1Å
191L98.6Very high97.9Very high0 Ų029.3 Ų29.30%016%0.158CC..Hα-helixtrans-66.5-46.9175.2-66.6175.6000111.8F8 V161 W165 I181 S187 L188 R189 K193 Y194 L195F8-L191 HydrophobicContact CE1-CD1 4.26Å; F8-L191 HydrophobicContact CZ-CB 4.5Å; F8-L191 HydrophobicContact CZ-CD1 4.42Å; V161-L191 HydrophobicContact CG1-CD2 3.54Å; V161-L191 HydrophobicContact CG1-CG 3.76Å; W165-L191 HydrophobicContact CB-CD2 3.94Å; W165-L191 HydrophobicContact CD2-CD2 4.27Å; W165-L191 HydrophobicContact CE3-CD2 3.79Å; W165-L191 HydrophobicContact CG-CD2 4.35Å; I181-L191 HydrophobicContact CD1-CD1 4.01Å; S187-L191 PolarHBondContact O-N 3.13Å; L188-L191 HydrophobicContact CD2-CD1 4.26Å; L188-L191 PolarHBondContact O-N 3.42Å; L188-L191 VanDerWaalsContact O-N 3.14Å; R189-L191 VanDerWaalsContact C-N 3.34Å; R189-L191 PolarHBondContact O-N 2.74Å; L191-K193 VanDerWaalsContact C-N 3.34Å; L191-K193 PolarHBondContact O-N 3Å; L191-Y194 PolarHBondContact O-N 2.96Å; L191-L195 WeakPolarHBondContact O-CB 3.32Å; L191-L195 WeakPolarHBondContact O-CG 3.34Å; L191-L195 PolarHBondContact O-N 3.25Å
192I98.4Very high97.7Very high6 Ų634 Ų343%0.03118%0.183CC..Hα-helixtrans-60.7-44.3179-68173.3000110.8L188 R189 Y194 L195 D196 I203 L206 I208 L214 Y216L188-I192 WeakPolarHBondContact O-CG1 3.31Å; L188-I192 PolarHBondContact O-N 3.44Å; R189-I192 PolarHBondContact O-N 3.46Å; I192-Y194 PolarHBondContact O-N 3.38Å; I192-L195 PolarHBondContact O-N 3.13Å; I192-D196 WeakPolarHBondContact CG2-OD2 3.28Å; I192-D196 PolarHBondContact O-N 3.28Å; I192-I203 HydrophobicContact CG2-CD1 4.47Å; I192-L206 HydrophobicContact CB-CD2 4.2Å; I192-L206 HydrophobicContact CD1-CD2 3.97Å; I192-L206 HydrophobicContact CG2-CD2 3.57Å; I192-I208 HydrophobicContact CD1-CD1 3.53Å; I192-I208 HydrophobicContact CD1-CG1 4.01Å; I192-L214 HydrophobicContact CD1-CD2 3.66Å; I192-L214 HydrophobicContact CG1-CD2 4.39Å; I192-Y216 HydrophobicContact CG1-CE2 4.36Å
193K98.4Very high97.6Very high32 Ų3234 Ų3414%0.13918%0.183CC..Hα-helixtrans-52.6-45.8176.2-168.1-164.3-169.3-50.90111.9Y119 V158 R189 L191 N197 T198 D200 I203Y119-K193 HydrophobicContact CE2-CD 4.1Å; Y119-K193 WeakPolarHBondContact OH-CE 3.14Å; V158-K193 HydrophobicContact CG2-CD 4.13Å; R189-K193 VanDerWaalsContact O-CB 3.28Å; R189-K193 WeakPolarHBondContact O-CB 3.44Å; R189-K193 PolarHBondContact O-N 3.28Å; L191-K193 VanDerWaalsContact C-N 3.34Å; L191-K193 PolarHBondContact O-N 3Å; K193-N197 CarbonylContact O-C 3.56Å; K193-N197 VanDerWaalsContact O-CA 3.28Å; K193-N197 WeakPolarHBondContact O-CA 3.47Å; K193-N197 PolarHBondContact O-N 2.77Å; K193-N197 VanDerWaalsContact O-N 3.13Å; K193-T198 VanDerWaalsContact CG-O 3.3Å; K193-T198 WeakPolarHBondContact CG-O 3.32Å; K193-T198 PolarHBondContact NZ-O 3.03Å; K193-T198 PolarHBondContact O-N 3.19Å; K193-D200 WeakPolarHBondContact CE-OD1 3.48Å; K193-D200 IonicContact NZ-OD1 2.7Å; K193-D200 PolarHBondContact NZ-OD1 3.42Å; K193-I203 HydrophobicContact CB-CB 4.43Å; K193-I203 HydrophobicContact CB-CD1 3.85Å; K193-I203 HydrophobicContact CB-CG1 3.83Å; K193-I203 HydrophobicContact CD-CG2 4.23Å; K193-I203 HydrophobicContact CG-CB 4.14Å; K193-I203 HydrophobicContact CG-CD1 4.44Å; K193-I203 HydrophobicContact CG-CG1 4.07Å; K193-I203 HydrophobicContact CG-CG2 4.31Å
194Y98.3Very high97.2Very high97 Ų9734.7 Ų34.738%0.3819%0.188SC..Hα-helixtrans-69.8-47.1179.8166-99.3000111.6L162 W165 F166 A190 L191 I192 N197L162-Y194 HydrophobicContact CD1-CD2 4.46Å; L162-Y194 HydrophobicContact CD2-CD1 4.32Å; L162-Y194 HydrophobicContact CD2-CD2 4.29Å; L162-Y194 HydrophobicContact CD2-CG 3.78Å; W165-Y194 AromaticContact CD1-CE1 3.7Å; W165-Y194 AromaticContact CE2-CE1 3.73Å; W165-Y194 HydrophobicContact CZ2-CE1 4.22Å; W165-Y194 AromaticContact NE1-CD1 3.86Å; W165-Y194 AromaticContact NE1-CE1 3.15Å; W165-Y194 AromaticContact NE1-CZ 3.87Å; F166-Y194 HydrophobicContact CE1-CE1 4.35Å; F166-Y194 AromaticContact CE1-CE2 3.95Å; F166-Y194 HydrophobicContact CE1-CE2 3.95Å; F166-Y194 AromaticContact CE1-CZ 3.62Å; F166-Y194 VanDerWaalsContact CE1-OH 3.32Å; F166-Y194 WeakPolarHBondContact CE1-OH 3.48Å; F166-Y194 HydrophobicContact CZ-CD2 4.2Å; F166-Y194 HydrophobicContact CZ-CE1 4.47Å; F166-Y194 AromaticContact CZ-CE2 3.52Å; F166-Y194 HydrophobicContact CZ-CE2 3.52Å; F166-Y194 AromaticContact CZ-CZ 3.68Å; A190-Y194 PolarHBondContact O-N 3.1Å; L191-Y194 PolarHBondContact O-N 2.96Å; I192-Y194 PolarHBondContact O-N 3.38Å; Y194-N197 PolarHBondContact O-N 2.76Å
195L98.2Very high96.9Very high14 Ų1439.4 Ų39.47%0.07321%0.21CC..Hα-helixtrans-63.4-48.6-177.5-75.9171.9000112.4F8 W165 L191 I192 N197 Y216 L218 P224F8-L195 HydrophobicContact CE2-CD1 3.69Å; F8-L195 HydrophobicContact CZ-CD1 3.67Å; W165-L195 HydrophobicContact CH2-CD1 4.27Å; W165-L195 HydrophobicContact CH2-CD2 3.71Å; W165-L195 HydrophobicContact CH2-CG 4.38Å; W165-L195 HydrophobicContact CZ2-CD2 3.69Å; W165-L195 HydrophobicContact CZ3-CD1 4.48Å; L191-L195 WeakPolarHBondContact O-CB 3.32Å; L191-L195 WeakPolarHBondContact O-CG 3.34Å; L191-L195 PolarHBondContact O-N 3.25Å; I192-L195 PolarHBondContact O-N 3.13Å; L195-N197 VanDerWaalsContact C-N 3.3Å; L195-N197 PolarHBondContact O-N 2.72Å; L195-Y216 HydrophobicContact CB-CE1 4.08Å; L195-Y216 HydrophobicContact CD1-CD1 4.14Å; L195-Y216 HydrophobicContact CD1-CE1 4.16Å; L195-Y216 HydrophobicContact CD1-CG 4.41Å; L195-L218 HydrophobicContact CD2-CD2 4.26Å; L195-P224 HydrophobicContact CB-CG 3.79Å; L195-P224 HydrophobicContact CD2-CG 4.13Å; L195-P224 VanDerWaalsContact O-CD 3.3Å; L195-P224 WeakPolarHBondContact O-CD 3.3Å; L195-P224 VanDerWaalsContact O-CG 3.29Å; L195-P224 WeakPolarHBondContact O-CG 3.48Å
196D97.7Very high96.8Very high54 Ų5441.9 Ų41.929%0.28922%0.222SC..THydrogen-bonded Turntrans-90.55.9-176.9-65.5-30.7000112.7I192 T198 Y216 H227I192-D196 WeakPolarHBondContact CG2-OD2 3.28Å; I192-D196 PolarHBondContact O-N 3.28Å; D196-T198 PolarHBondContact O-N 3.34Å; D196-T198 VanDerWaalsContact O-N 3.17Å; D196-Y216 WeakPolarHBondContact OD1-CE1 3.35Å; D196-Y216 PolarHBondContact OD2-OH 2.83Å; D196-H227 IonicContact OD1-CE1 3.62Å; D196-H227 IonicContact OD1-ND1 3.63Å; D196-H227 PolarHBondContact OD1-ND1 2.79Å; D196-H227 IonicContact OD2-CE1 3.94Å; D196-H227 PolarHBondContact OD2-CE1 3.16Å; D196-H227 IonicContact OD2-ND1 3.13Å; D196-H227 PolarHBondContact OD2-ND1 2.96Å
197N97Very high96.6Very high147 Ų14742.9 Ų42.979%0.78623%0.227SC*.THydrogen-bonded Turntrans48.441.5-176-169.744.6000112.6K193 Y194 L195K193-N197 CarbonylContact O-C 3.56Å; K193-N197 VanDerWaalsContact O-CA 3.28Å; K193-N197 WeakPolarHBondContact O-CA 3.47Å; K193-N197 PolarHBondContact O-N 2.77Å; K193-N197 VanDerWaalsContact O-N 3.13Å; Y194-N197 PolarHBondContact O-N 2.76Å; L195-N197 VanDerWaalsContact C-N 3.3Å; L195-N197 PolarHBondContact O-N 2.72Å
198T97.2Very high96.5Very high30 Ų3043.1 Ų43.118%0.18423%0.228CC..  trans-72.4139-176-46.50000110.8K193 D196 D202 I203K193-T198 VanDerWaalsContact CG-O 3.3Å; K193-T198 WeakPolarHBondContact CG-O 3.32Å; K193-T198 PolarHBondContact NZ-O 3.03Å; K193-T198 PolarHBondContact O-N 3.19Å; D196-T198 PolarHBondContact O-N 3.34Å; D196-T198 VanDerWaalsContact O-N 3.17Å; T198-D202 HydrophobicContact CG2-CB 3.64Å; T198-I203 HydrophobicContact CG2-CB 4.02Å; T198-I203 HydrophobicContact CG2-CD1 4.43Å
199S97.6Very high96.4Very high44 Ų4443 Ų4331%0.30823%0.228SC..  trans-64.9162.5176.377.80000112S201 D202 I203S199-S201 VanDerWaalsContact C-N 3.26Å; S199-S201 PolarHBondContact O-N 3.27Å; S199-S201 PolarHBondContact OG-OG 3.29Å; S199-D202 PolarHBondContact O-N 2.95Å; S199-D202 WeakPolarHBondContact OG-CB 3.49Å; S199-D202 PolarHBondContact OG-N 3.18Å; S199-D202 VanDerWaalsContact OG-N 3.09Å; S199-D202 PolarHBondContact OG-OD2 3.15Å; S199-I203 WeakPolarHBondContact O-CG2 3.44Å; S199-I203 PolarHBondContact O-N 3.15Å; S199-I203 VanDerWaalsContact O-N 3.11Å
200D96.9Very high96.3Very high76 Ų7642 Ų4241%0.40623%0.225SC..Hα-helixtrans-65.2-31.4177.5-66-2.1000111.9Y119 K193 I203Y119-D200 HydrophobicContact CD1-CB 3.66Å; Y119-D200 VanDerWaalsContact CD1-CG 3.43Å; Y119-D200 VanDerWaalsContact CD1-OD2 3.31Å; Y119-D200 WeakPolarHBondContact CD1-OD2 3.2Å; Y119-D200 HydrophobicContact CD2-CB 4.24Å; Y119-D200 HydrophobicContact CE1-CB 4.01Å; Y119-D200 WeakPolarHBondContact CE1-OD1 3.33Å; Y119-D200 WeakPolarHBondContact CE1-OD2 3.36Å; Y119-D200 HydrophobicContact CG-CB 3.78Å; K193-D200 WeakPolarHBondContact CE-OD1 3.48Å; K193-D200 IonicContact NZ-OD1 2.7Å; K193-D200 PolarHBondContact NZ-OD1 3.42Å; D200-I203 WeakPolarHBondContact O-CG2 3.08Å
201S94Very high96.3Very high80 Ų8042.3 Ų42.356%0.55923%0.227SC*.Hα-helixtrans-75.8-33.3177.352.90000113.2S199 V204S199-S201 VanDerWaalsContact C-N 3.26Å; S199-S201 PolarHBondContact O-N 3.27Å; S199-S201 PolarHBondContact OG-OG 3.29Å; S201-V204 WeakPolarHBondContact O-CG2 3.37Å
202D95.2Very high96.2Very high97 Ų9742.9 Ų42.952%0.51923%0.23SC..Hα-helixtrans-85.3-35.1-175.8-57-30.7000111.5T198 S199 V204 E205 L206T198-D202 HydrophobicContact CG2-CB 3.64Å; S199-D202 PolarHBondContact O-N 2.95Å; S199-D202 WeakPolarHBondContact OG-CB 3.49Å; S199-D202 PolarHBondContact OG-N 3.18Å; S199-D202 VanDerWaalsContact OG-N 3.09Å; S199-D202 PolarHBondContact OG-OD2 3.15Å; D202-V204 PolarHBondContact O-N 3.34Å; D202-E205 PolarHBondContact O-N 2.93Å; D202-E205 VanDerWaalsContact O-N 3.08Å; D202-L206 PolarHBondContact O-N 3.32Å
203I95.7Very high96.3Very high0 Ų042.6 Ų42.60%023%0.229CC..Hα-helixtrans-64.1-29.1-176.7-170.163.4000112.9Y119 L154 R189 I192 K193 T198 S199 D200 E205 L206Y119-I203 HydrophobicContact CD2-CG2 4.1Å; Y119-I203 HydrophobicContact CE2-CG2 4.34Å; L154-I203 HydrophobicContact CD2-CG1 4.26Å; L154-I203 HydrophobicContact CD2-CG2 3.95Å; R189-I203 HydrophobicContact CB-CD1 4.07Å; R189-I203 HydrophobicContact CB-CG1 4.11Å; R189-I203 HydrophobicContact CG-CD1 4.34Å; R189-I203 WeakPolarHBondContact O-CD1 3.38Å; I192-I203 HydrophobicContact CG2-CD1 4.47Å; K193-I203 HydrophobicContact CB-CB 4.43Å; K193-I203 HydrophobicContact CB-CD1 3.85Å; K193-I203 HydrophobicContact CB-CG1 3.83Å; K193-I203 HydrophobicContact CD-CG2 4.23Å; K193-I203 HydrophobicContact CG-CB 4.14Å; K193-I203 HydrophobicContact CG-CD1 4.44Å; K193-I203 HydrophobicContact CG-CG1 4.07Å; K193-I203 HydrophobicContact CG-CG2 4.31Å; T198-I203 HydrophobicContact CG2-CB 4.02Å; T198-I203 HydrophobicContact CG2-CD1 4.43Å; S199-I203 WeakPolarHBondContact O-CG2 3.44Å; S199-I203 PolarHBondContact O-N 3.15Å; S199-I203 VanDerWaalsContact O-N 3.11Å; D200-I203 WeakPolarHBondContact O-CG2 3.08Å; I203-E205 PolarHBondContact O-N 3.46Å; I203-L206 HydrophobicContact CD1-CB 4.34Å; I203-L206 HydrophobicContact CD1-CD2 3.79Å; I203-L206 WeakPolarHBondContact O-CB 3.43Å; I203-L206 PolarHBondContact O-N 3.41Å
204V92.5Very high96.3Very high16 Ų1641.3 Ų41.310%0.09722%0.223CC..THydrogen-bonded Turntrans-73-20.3179.8-63.70000112.8R117 L154 S201 D202R117-V204 WeakPolarHBondContact O-CB 3.45Å; R117-V204 WeakPolarHBondContact O-CG1 3.34Å; R117-V204 WeakPolarHBondContact O-CG2 3.3Å; L154-V204 HydrophobicContact CD2-CG1 4.01Å; S201-V204 WeakPolarHBondContact O-CG2 3.37Å; D202-V204 PolarHBondContact O-N 3.34Å
205E91.8Very high96.3Very high99 Ų9936.7 Ų36.746%0.46321%0.205SC..THydrogen-bonded Turntrans-89-19.1176.1-67.7-56.7127.100112.9R117 D202 I203 N207R117-E205 IonicContact CZ-OE1 2.9Å; R117-E205 IonicContact CZ-OE2 2.7Å; R117-E205 IonicContact NH1-OE1 3.42Å; R117-E205 PolarHBondContact NH1-OE1 2.97Å; R117-E205 IonicContact NH1-OE2 2.72Å; R117-E205 PolarHBondContact NH1-OE2 3.35Å; D202-E205 PolarHBondContact O-N 2.93Å; D202-E205 VanDerWaalsContact O-N 3.08Å; I203-E205 PolarHBondContact O-N 3.46Å; E205-N207 PolarHBondContact O-N 2.96Å; E205-N207 PolarHBondContact O-ND2 3.04Å
206L93.6Very high96.3Very high56 Ų5636.1 Ų36.129%0.29320%0.202SC..  trans-62.8120.5178-179.967.5000111.3R189 I192 D202 I203 I208R189-L206 HydrophobicContact CG-CD2 4.43Å; R189-L206 PolarHBondContact NE-O 3.15Å; R189-L206 PolarHBondContact NH2-O 3.45Å; I192-L206 HydrophobicContact CB-CD2 4.2Å; I192-L206 HydrophobicContact CD1-CD2 3.97Å; I192-L206 HydrophobicContact CG2-CD2 3.57Å; D202-L206 PolarHBondContact O-N 3.32Å; I203-L206 HydrophobicContact CD1-CB 4.34Å; I203-L206 HydrophobicContact CD1-CD2 3.79Å; I203-L206 WeakPolarHBondContact O-CB 3.43Å; I203-L206 PolarHBondContact O-N 3.41Å; L206-I208 HydrophobicContact CD2-CG1 4.29Å; L206-I208 HydrophobicContact CG-CG1 4.35Å
207N93.5Very high96.3Very high25 Ų2534.3 Ų34.313%0.13419%0.192CC..  trans-108111.5174.8-66.6-66.5000110.2R189 E205 I240 V243R189-N207 PolarHBondContact NH2-OD1 3.11Å; E205-N207 PolarHBondContact O-N 2.96Å; E205-N207 PolarHBondContact O-ND2 3.04Å; N207-I240 HydrophobicContact CB-CG2 4.1Å; N207-V243 HydrophobicContact CB-CB 4.33Å; N207-V243 HydrophobicContact CB-CG1 3.93Å
208I96.2Very high96.4Very high4 Ų427.3 Ų27.32%0.02115%0.154CC..PPolyproline II helixtrans-86.1119.3177.3-52.9172000108.3R10 L188 R189 I192 L206R10-I208 HydrophobicContact CB-CG2 4.12Å; R10-I208 VanDerWaalsContact CD-O 3.3Å; R10-I208 WeakPolarHBondContact CD-O 3.4Å; R10-I208 PolarHBondContact NH1-O 3.45Å; L188-I208 HydrophobicContact CB-CD1 3.55Å; R189-I208 HydrophobicContact CG-CD1 3.82Å; R189-I208 HydrophobicContact CG-CG1 4.37Å; I192-I208 HydrophobicContact CD1-CD1 3.53Å; I192-I208 HydrophobicContact CD1-CG1 4.01Å; L206-I208 HydrophobicContact CD2-CG1 4.29Å; L206-I208 HydrophobicContact CG-CG1 4.35Å
209P96.9Very high96.3Very high0 Ų028.2 Ų28.20%016%0.158CC..PPolyproline II helixtrans-62.7150.6179.628.1-34000111.3R10 I212 Y229 A239 I240R10-P209 WeakPolarHBondContact CB-O 3.44Å; P209-I212 HydrophobicContact CB-CB 4.43Å; P209-I212 HydrophobicContact CB-CD1 3.96Å; P209-I212 HydrophobicContact CB-CG1 4.24Å; P209-I212 HydrophobicContact CG-CB 4.04Å; P209-I212 HydrophobicContact CG-CD1 4.14Å; P209-I212 HydrophobicContact CG-CG1 4.35Å; P209-Y229 VanDerWaalsContact CD-OH 3.25Å; P209-Y229 WeakPolarHBondContact CD-OH 3.34Å; P209-Y229 HydrophobicContact CG-CD1 4.04Å; P209-Y229 HydrophobicContact CG-CE1 3.48Å; P209-Y229 VanDerWaalsContact CG-CE1 3.48Å; P209-A239 HydrophobicContact CB-CB 3.52Å; P209-I240 HydrophobicContact CB-CG1 4.29Å; P209-I240 HydrophobicContact CG-CG1 4.24Å
210T96.6Very high96.2Very high6 Ų629.3 Ų29.34%0.03717%0.17CC..SBendtrans-76.2138.1172.947.90000110.2R10 H11 E37 I212R10-T210 HydrophobicContact CG-CG2 4.37Å; H11-T210 WeakPolarHBondContact O-CB 3.49Å; H11-T210 WeakPolarHBondContact O-CG2 3.27Å; E37-T210 PolarHBondContact OE1-OG1 2.95Å; E37-T210 VanDerWaalsContact OE1-OG1 3.1Å; E37-T210 WeakPolarHBondContact OE2-CB 3.49Å; E37-T210 PolarHBondContact OE2-OG1 2.85Å; T210-I212 PolarHBondContact O-N 2.84Å; T210-I212 VanDerWaalsContact O-N 3.1Å
211G97.4Very high96.1Very high5 Ų531.6 Ų31.65%0.05218%0.182CC..SBendtrans67.28.3170.500000117.1R10 A41R10-G211 PolarHBondContact O-N 2.7Å; A41-G211 VanDerWaalsContact CB-O 3.22Å; A41-G211 WeakPolarHBondContact CB-O 3.36Å
212I98.3Very high96.2Very high12 Ų1228.4 Ų28.46%0.06216%0.159CC..  trans-104.6120.8174.6-53.5-176.5000109P209 T210 L214 Y229 A231 T235 V236 A239P209-I212 HydrophobicContact CB-CB 4.43Å; P209-I212 HydrophobicContact CB-CD1 3.96Å; P209-I212 HydrophobicContact CB-CG1 4.24Å; P209-I212 HydrophobicContact CG-CB 4.04Å; P209-I212 HydrophobicContact CG-CD1 4.14Å; P209-I212 HydrophobicContact CG-CG1 4.35Å; T210-I212 PolarHBondContact O-N 2.84Å; T210-I212 VanDerWaalsContact O-N 3.1Å; I212-L214 PolarHBondContact O-N 3.19Å; I212-Y229 HydrophobicContact CB-CD1 4.26Å; I212-Y229 HydrophobicContact CG2-CD1 3.79Å; I212-Y229 HydrophobicContact CG2-CG 4.25Å; I212-A231 HydrophobicContact CG2-CB 3.98Å; I212-T235 HydrophobicContact CD1-CG2 4.27Å; I212-V236 HydrophobicContact CD1-CG2 4.35Å; I212-V236 HydrophobicContact CG2-CG2 4.47Å; I212-A239 HydrophobicContact CD1-CB 3.56Å
213P98.8Very high96.3Very high0 Ų030.4 Ų30.40%016%0.163CC..  trans-62.1128.7175.6-20.931.6000112.1V7 F8 I9 A41 L45 Y229 L230V7-P213 HydrophobicContact CG1-CB 3.88Å; F8-P213 WeakPolarHBondContact O-CA 3.42Å; I9-P213 HydrophobicContact CD1-CG 4.33Å; I9-P213 HydrophobicContact CG1-CB 4.21Å; I9-P213 HydrophobicContact CG1-CG 4.33Å; A41-P213 HydrophobicContact CB-CG 4.16Å; L45-P213 HydrophobicContact CD1-CG 4.12Å; L45-P213 HydrophobicContact CD2-CB 4.16Å; L45-P213 HydrophobicContact CD2-CG 4.32Å; L45-P213 HydrophobicContact CG-CB 4.3Å; L45-P213 HydrophobicContact CG-CG 3.92Å; P213-Y229 CarbonylContact O-C 3.52Å; P213-Y229 VanDerWaalsContact O-CA 3.32Å; P213-Y229 WeakPolarHBondContact O-CA 3.31Å; P213-L230 HydrophobicContact CB-CB 4.21Å; P213-L230 HydrophobicContact CB-CD1 3.97Å; P213-L230 HydrophobicContact CB-CG 4.22Å; P213-L230 HydrophobicContact CG-CB 4.42Å; P213-L230 HydrophobicContact CG-CD1 4.41Å; P213-L230 PolarHBondContact O-N 2.72Å
214L98.7Very high96.4Very high5 Ų532.2 Ų32.23%0.02618%0.175CC..EExtended strand (participates in β ladder)trans-105.8115.7171.317558.4000108.7V7 F8 I192 I212 Y216 H227 Y229V7-L214 WeakPolarHBondContact CA-O 3.29Å; F8-L214 HydrophobicContact CB-CB 4.35Å; F8-L214 HydrophobicContact CD2-CD2 4.4Å; F8-L214 PolarHBondContact N-O 2.85Å; F8-L214 PolarHBondContact O-N 3.12Å; I192-L214 HydrophobicContact CD1-CD2 3.66Å; I192-L214 HydrophobicContact CG1-CD2 4.39Å; I212-L214 PolarHBondContact O-N 3.19Å; L214-Y216 HydrophobicContact CD1-CE2 4.29Å; L214-Y216 HydrophobicContact CD2-CE2 3.73Å; L214-Y216 HydrophobicContact CG-CD2 4.16Å; L214-Y216 HydrophobicContact CG-CE2 3.79Å; L214-H227 HydrophobicContact CD1-CB 4.3Å; L214-Y229 HydrophobicContact CB-CD1 3.92Å; L214-Y229 HydrophobicContact CB-CE1 3.72Å; L214-Y229 HydrophobicContact CD1-CD1 4.17Å; L214-Y229 HydrophobicContact CD1-CD2 4.36Å; L214-Y229 HydrophobicContact CD1-CE1 4.05Å; L214-Y229 HydrophobicContact CD1-CE2 4.23Å; L214-Y229 HydrophobicContact CD1-CG 4.32Å; L214-Y229 HydrophobicContact CD2-CE1 4.28Å; L214-Y229 HydrophobicContact CG-CE1 4.23Å
215V98.6Very high96.6Very high0 Ų035.6 Ų35.60%020%0.195CC..EExtended strand (participates in β ladder)trans-96.7132.9-179.1-1730000109V7 F50 H227 Y228 L230V7-V215 HydrophobicContact CG2-CG1 4.49Å; V7-V215 HydrophobicContact CG2-CG2 4.2Å; F50-V215 HydrophobicContact CE1-CG1 3.99Å; F50-V215 HydrophobicContact CE1-CG2 4.03Å; F50-V215 HydrophobicContact CE2-CG2 4.44Å; F50-V215 HydrophobicContact CZ-CB 4.48Å; F50-V215 HydrophobicContact CZ-CG1 3.98Å; F50-V215 HydrophobicContact CZ-CG2 3.65Å; V215-H227 CarbonylContact O-C 3.53Å; V215-H227 WeakPolarHBondContact O-CA 3.46Å; V215-H227 WeakPolarHBondContact O-CB 3.41Å; V215-Y228 HydrophobicContact CB-CD1 4.49Å; V215-Y228 HydrophobicContact CB-CD2 4.3Å; V215-Y228 HydrophobicContact CB-CE1 4.11Å; V215-Y228 HydrophobicContact CB-CE2 3.92Å; V215-Y228 HydrophobicContact CG1-CE1 4.09Å; V215-Y228 HydrophobicContact CG1-CE2 4.36Å; V215-Y228 HydrophobicContact CG2-CD2 4.46Å; V215-Y228 HydrophobicContact CG2-CE2 3.99Å; V215-Y228 PolarHBondContact N-O 3.42Å; V215-Y228 PolarHBondContact O-N 2.83Å; V215-L230 HydrophobicContact CG2-CD1 3.95Å; V215-L230 HydrophobicContact CG2-CD2 3.87Å; V215-L230 HydrophobicContact CG2-CG 3.68Å
216Y98.6Very high96.9Very high2 Ų235.4 Ų35.41%0.00819%0.193CC..EExtended strand (participates in β ladder)trans-110.3133.6164.9-84.2-104.7000109.6R5 I6 F8 I192 L195 D196 L214 L218 P224 H227R5-Y216 WeakPolarHBondContact CA-O 3.36Å; I6-Y216 PolarHBondContact N-O 3.42Å; I6-Y216 VanDerWaalsContact N-O 3.09Å; I6-Y216 PolarHBondContact O-N 3.08Å; F8-Y216 AromaticContact CD2-CD2 3.81Å; F8-Y216 HydrophobicContact CD2-CD2 3.81Å; F8-Y216 AromaticContact CD2-CE2 3.82Å; F8-Y216 HydrophobicContact CD2-CE2 3.82Å; F8-Y216 AromaticContact CE2-CD2 3.54Å; F8-Y216 HydrophobicContact CE2-CD2 3.54Å; F8-Y216 AromaticContact CE2-CE2 3.64Å; F8-Y216 HydrophobicContact CE2-CE2 3.64Å; F8-Y216 HydrophobicContact CE2-CG 4.33Å; F8-Y216 HydrophobicContact CZ-CD2 4.45Å; I192-Y216 HydrophobicContact CG1-CE2 4.36Å; L195-Y216 HydrophobicContact CB-CE1 4.08Å; L195-Y216 HydrophobicContact CD1-CD1 4.14Å; L195-Y216 HydrophobicContact CD1-CE1 4.16Å; L195-Y216 HydrophobicContact CD1-CG 4.41Å; D196-Y216 WeakPolarHBondContact OD1-CE1 3.35Å; D196-Y216 PolarHBondContact OD2-OH 2.83Å; L214-Y216 HydrophobicContact CD1-CE2 4.29Å; L214-Y216 HydrophobicContact CD2-CE2 3.73Å; L214-Y216 HydrophobicContact CG-CD2 4.16Å; L214-Y216 HydrophobicContact CG-CE2 3.79Å; Y216-L218 HydrophobicContact CD1-CD2 4.24Å; Y216-P224 HydrophobicContact CD1-CB 3.92Å; Y216-P224 HydrophobicContact CD1-CG 3.89Å; Y216-P224 HydrophobicContact CE1-CB 4.15Å; Y216-P224 HydrophobicContact CE1-CG 4Å; Y216-H227 HydrophobicContact CD1-CB 3.76Å; Y216-H227 HydrophobicContact CD2-CB 3.89Å; Y216-H227 HydrophobicContact CE1-CB 3.65Å; Y216-H227 AromaticContact CE1-CG 3.91Å; Y216-H227 AromaticContact CE1-ND1 3.61Å; Y216-H227 HydrophobicContact CE2-CB 3.79Å; Y216-H227 HydrophobicContact CG-CB 3.86Å; Y216-H227 AromaticContact CZ-CG 3.81Å; Y216-H227 AromaticContact CZ-ND1 3.76Å
217E97.8Very high97.1Very high16 Ų1637.1 Ų37.18%0.07520%0.199CC..EExtended strand (participates in β ladder)trans-99.7130.3161.5-73.5-169.5-165.900109.2P3 Y4 R5 P224 T225 K226P3-E217 HydrophobicContact CB-CB 4.19Å; P3-E217 HydrophobicContact CG-CB 4.46Å; P3-E217 HydrophobicContact CG-CG 4.35Å; P3-E217 WeakPolarHBondContact CG-OE2 3.25Å; Y4-E217 CarbonylContact O-C 3.5Å; Y4-E217 WeakPolarHBondContact O-CA 3.46Å; R5-E217 HydrophobicContact CG-CG 3.95Å; R5-E217 IonicContact CZ-OE1 3.72Å; R5-E217 IonicContact NE-OE1 3.32Å; R5-E217 PolarHBondContact NE-OE1 3.38Å; R5-E217 IonicContact NH2-OE1 3.65Å; R5-E217 PolarHBondContact NH2-OE1 2.91Å; E217-P224 WeakPolarHBondContact O-CA 3.43Å; E217-T225 PolarHBondContact O-N 3.33Å; E217-T225 PolarHBondContact O-OG1 3.15Å; E217-K226 HydrophobicContact CB-CG 3.92Å; E217-K226 VanDerWaalsContact CD-NZ 3.27Å; E217-K226 HydrophobicContact CG-CG 4.34Å; E217-K226 PolarHBondContact N-O 2.84Å; E217-K226 WeakPolarHBondContact OE1-CE 3.38Å; E217-K226 IonicContact OE1-NZ 2.89Å; E217-K226 PolarHBondContact OE1-NZ 3.31Å; E217-K226 WeakPolarHBondContact OE2-CE 3.46Å; E217-K226 IonicContact OE2-NZ 2.93Å; E217-K226 PolarHBondContact OE2-NZ 3.43Å
218L98.1Very high97.3Very high0 Ų039.3 Ų39.30%021%0.206CC..EExtended strand (participates in β ladder)trans-121144.7-175.5-46.4176.8000111.4P3 Y4 I6 W165 I173 L195 Y216 L222 K223 P224P3-L218 WeakPolarHBondContact CA-O 3.46Å; Y4-L218 PolarHBondContact N-O 3.37Å; Y4-L218 PolarHBondContact O-N 2.7Å; I6-L218 HydrophobicContact CG2-CD1 4.06Å; I6-L218 HydrophobicContact CG2-CG 4.44Å; W165-L218 HydrophobicContact CH2-CD1 4.32Å; I173-L218 HydrophobicContact CD1-CD1 4.02Å; I173-L218 HydrophobicContact CG2-CD1 4.5Å; L195-L218 HydrophobicContact CD2-CD2 4.26Å; Y216-L218 HydrophobicContact CD1-CD2 4.24Å; L218-L222 HydrophobicContact CD1-CB 4.34Å; L218-L222 HydrophobicContact CD1-CD2 4.39Å; L218-K223 CarbonylContact C-O 3.46Å; L218-K223 VanDerWaalsContact CA-O 3.31Å; L218-K223 WeakPolarHBondContact CA-O 3.48Å; L218-P224 HydrophobicContact CD2-CB 4.22Å; L218-P224 HydrophobicContact CD2-CG 3.95Å
219D96.8Very high97.4Very high49 Ų4941.5 Ų41.526%0.26222%0.215SC..  trans-75.8-177.9173.479.5-0.2000112.8Y4 N221 L222 K223 T225Y4-D219 VanDerWaalsContact CD2-O 3.27Å; Y4-D219 WeakPolarHBondContact CD2-O 3.15Å; Y4-D219 WeakPolarHBondContact CE2-O 3.21Å; D219-N221 PolarHBondContact O-N 2.93Å; D219-N221 VanDerWaalsContact O-N 3.09Å; D219-N221 VanDerWaalsContact OD1-C 3.26Å; D219-N221 VanDerWaalsContact OD1-CA 3.26Å; D219-N221 WeakPolarHBondContact OD1-CA 3.28Å; D219-N221 WeakPolarHBondContact OD1-CB 3.29Å; D219-N221 PolarHBondContact OD1-N 2.85Å; D219-L222 PolarHBondContact O-N 2.82Å; D219-L222 PolarHBondContact OD1-N 3.26Å; D219-L222 VanDerWaalsContact OD1-N 3.08Å; D219-K223 PolarHBondContact N-O 2.97Å; D219-K223 PolarHBondContact OD1-N 3.07Å; D219-T225 HydrophobicContact CB-CG2 3.94Å
220A94.8Very high97.4Very high67 Ų6742.1 Ų42.155%0.55422%0.218SC*.THydrogen-bonded Turntrans-58.7-22.817900000114.1
221N95Very high97.3Very high124 Ų12443.3 Ų43.366%0.66323%0.229SC*.THydrogen-bonded Turntrans-98.611.3178.7-58.8-56.4000112.6D219 K223D219-N221 PolarHBondContact O-N 2.93Å; D219-N221 VanDerWaalsContact O-N 3.09Å; D219-N221 VanDerWaalsContact OD1-C 3.26Å; D219-N221 VanDerWaalsContact OD1-CA 3.26Å; D219-N221 WeakPolarHBondContact OD1-CA 3.28Å; D219-N221 WeakPolarHBondContact OD1-CB 3.29Å; D219-N221 PolarHBondContact OD1-N 2.85Å; N221-K223 HydrophobicContact CB-CG 4.41Å; N221-K223 PolarHBondContact O-N 3.3Å
222L96.4Very high97.2Very high14 Ų1447.5 Ų47.57%0.07325%0.25CC..SBendtrans62.222.7-176.2-49.9-175.7000114.1Y4 I173 K174 L218 D219Y4-L222 HydrophobicContact CD2-CD2 3.77Å; Y4-L222 HydrophobicContact CE2-CD2 3.98Å; Y4-L222 HydrophobicContact CG-CD2 4.49Å; I173-L222 HydrophobicContact CB-CD2 4.1Å; I173-L222 HydrophobicContact CG2-CD2 3.49Å; I173-L222 VanDerWaalsContact CG2-CD2 3.49Å; K174-L222 HydrophobicContact CG-CD1 4.27Å; K174-L222 HydrophobicContact CG-CD2 4.39Å; L218-L222 HydrophobicContact CD1-CB 4.34Å; L218-L222 HydrophobicContact CD1-CD2 4.39Å; D219-L222 PolarHBondContact O-N 2.82Å; D219-L222 PolarHBondContact OD1-N 3.26Å; D219-L222 VanDerWaalsContact OD1-N 3.08Å
223K96.5Very high97Very high138 Ų13855.4 Ų55.460%0.629%0.286SS*.  trans-82.8135172.1-64.7-172.1175.6-1730109.9L218 D219 N221 T225L218-K223 CarbonylContact C-O 3.46Å; L218-K223 VanDerWaalsContact CA-O 3.31Å; L218-K223 WeakPolarHBondContact CA-O 3.48Å; D219-K223 PolarHBondContact N-O 2.97Å; D219-K223 PolarHBondContact OD1-N 3.07Å; N221-K223 HydrophobicContact CB-CG 4.41Å; N221-K223 PolarHBondContact O-N 3.3Å; K223-T225 PolarHBondContact O-N 3.16Å
224P97.5Very high96.9Very high38 Ų3858.8 Ų58.825%0.24731%0.314CS..EExtended strand (participates in β ladder)trans-57.6130.2173.9-25.735.8000112.2L195 Y216 E217 L218L195-P224 HydrophobicContact CB-CG 3.79Å; L195-P224 HydrophobicContact CD2-CG 4.13Å; L195-P224 VanDerWaalsContact O-CD 3.3Å; L195-P224 WeakPolarHBondContact O-CD 3.3Å; L195-P224 VanDerWaalsContact O-CG 3.29Å; L195-P224 WeakPolarHBondContact O-CG 3.48Å; Y216-P224 HydrophobicContact CD1-CB 3.92Å; Y216-P224 HydrophobicContact CD1-CG 3.89Å; Y216-P224 HydrophobicContact CE1-CB 4.15Å; Y216-P224 HydrophobicContact CE1-CG 4Å; E217-P224 WeakPolarHBondContact O-CA 3.43Å; L218-P224 HydrophobicContact CD2-CB 4.22Å; L218-P224 HydrophobicContact CD2-CG 3.95Å
225T97.3Very high96.7Very high87 Ų8761.9 Ų61.953%0.53433%0.333SS..EExtended strand (participates in β ladder)trans-99.6-29.6167.758.30000111.3E217 D219 K223E217-T225 PolarHBondContact O-N 3.33Å; E217-T225 PolarHBondContact O-OG1 3.15Å; D219-T225 HydrophobicContact CB-CG2 3.94Å; K223-T225 PolarHBondContact O-N 3.16Å
226K96.9Very high96.5Very high95 Ų9562.7 Ų62.741%0.41334%0.338SS..EExtended strand (participates in β ladder)trans-161.9160.6167.758.6173.1176.3171.60110.8E217 Y228E217-K226 HydrophobicContact CB-CG 3.92Å; E217-K226 VanDerWaalsContact CD-NZ 3.27Å; E217-K226 HydrophobicContact CG-CG 4.34Å; E217-K226 PolarHBondContact N-O 2.84Å; E217-K226 WeakPolarHBondContact OE1-CE 3.38Å; E217-K226 IonicContact OE1-NZ 2.89Å; E217-K226 PolarHBondContact OE1-NZ 3.31Å; E217-K226 WeakPolarHBondContact OE2-CE 3.46Å; E217-K226 IonicContact OE2-NZ 2.93Å; E217-K226 PolarHBondContact OE2-NZ 3.43Å; K226-Y228 HydrophobicContact CD-CD1 4.19Å; K226-Y228 HydrophobicContact CD-CE1 4.09Å; K226-Y228 HydrophobicContact CG-CD1 4.47Å; K226-Y228 HydrophobicContact CG-CE1 4.47Å
227H97.6Very high96.4Very high92 Ų9265.4 Ų65.443%0.42636%0.361SS..EExtended strand (participates in β ladder)trans-137.9150.8165.659.4-111.8000110.7D196 L214 V215 Y216D196-H227 IonicContact OD1-CE1 3.62Å; D196-H227 IonicContact OD1-ND1 3.63Å; D196-H227 PolarHBondContact OD1-ND1 2.79Å; D196-H227 IonicContact OD2-CE1 3.94Å; D196-H227 PolarHBondContact OD2-CE1 3.16Å; D196-H227 IonicContact OD2-ND1 3.13Å; D196-H227 PolarHBondContact OD2-ND1 2.96Å; L214-H227 HydrophobicContact CD1-CB 4.3Å; V215-H227 CarbonylContact O-C 3.53Å; V215-H227 WeakPolarHBondContact O-CA 3.46Å; V215-H227 WeakPolarHBondContact O-CB 3.41Å; Y216-H227 HydrophobicContact CD1-CB 3.76Å; Y216-H227 HydrophobicContact CD2-CB 3.89Å; Y216-H227 HydrophobicContact CE1-CB 3.65Å; Y216-H227 AromaticContact CE1-CG 3.91Å; Y216-H227 AromaticContact CE1-ND1 3.61Å; Y216-H227 HydrophobicContact CE2-CB 3.79Å; Y216-H227 HydrophobicContact CG-CB 3.86Å; Y216-H227 AromaticContact CZ-CG 3.81Å; Y216-H227 AromaticContact CZ-ND1 3.76Å
228Y97.7Very high96.2Very high71 Ų7167 Ų6728%0.27838%0.378SS..EExtended strand (participates in β ladder)trans-160.4151-178.855.3-84.3000111.6V215 K226 L230V215-Y228 HydrophobicContact CB-CD1 4.49Å; V215-Y228 HydrophobicContact CB-CD2 4.3Å; V215-Y228 HydrophobicContact CB-CE1 4.11Å; V215-Y228 HydrophobicContact CB-CE2 3.92Å; V215-Y228 HydrophobicContact CG1-CE1 4.09Å; V215-Y228 HydrophobicContact CG1-CE2 4.36Å; V215-Y228 HydrophobicContact CG2-CD2 4.46Å; V215-Y228 HydrophobicContact CG2-CE2 3.99Å; V215-Y228 PolarHBondContact N-O 3.42Å; V215-Y228 PolarHBondContact O-N 2.83Å; K226-Y228 HydrophobicContact CD-CD1 4.19Å; K226-Y228 HydrophobicContact CD-CE1 4.09Å; K226-Y228 HydrophobicContact CG-CD1 4.47Å; K226-Y228 HydrophobicContact CG-CE1 4.47Å; Y228-L230 HydrophobicContact CD2-CD2 4.17Å; Y228-L230 HydrophobicContact CE2-CD2 3.74Å
229Y98.4Very high96Very high51 Ų5167.1 Ų67.120%0.238%0.378CS..EExtended strand (participates in β ladder)trans-84.5145.3172.9-70.8-77.5000111.1P209 I212 P213 L214 A231 V236P209-Y229 VanDerWaalsContact CD-OH 3.25Å; P209-Y229 WeakPolarHBondContact CD-OH 3.34Å; P209-Y229 HydrophobicContact CG-CD1 4.04Å; P209-Y229 HydrophobicContact CG-CE1 3.48Å; P209-Y229 VanDerWaalsContact CG-CE1 3.48Å; I212-Y229 HydrophobicContact CB-CD1 4.26Å; I212-Y229 HydrophobicContact CG2-CD1 3.79Å; I212-Y229 HydrophobicContact CG2-CG 4.25Å; P213-Y229 CarbonylContact O-C 3.52Å; P213-Y229 VanDerWaalsContact O-CA 3.32Å; P213-Y229 WeakPolarHBondContact O-CA 3.31Å; L214-Y229 HydrophobicContact CB-CD1 3.92Å; L214-Y229 HydrophobicContact CB-CE1 3.72Å; L214-Y229 HydrophobicContact CD1-CD1 4.17Å; L214-Y229 HydrophobicContact CD1-CD2 4.36Å; L214-Y229 HydrophobicContact CD1-CE1 4.05Å; L214-Y229 HydrophobicContact CD1-CE2 4.23Å; L214-Y229 HydrophobicContact CD1-CG 4.32Å; L214-Y229 HydrophobicContact CD2-CE1 4.28Å; L214-Y229 HydrophobicContact CG-CE1 4.23Å; Y229-A231 PolarHBondContact O-N 2.7Å; Y229-A231 VanDerWaalsContact O-N 3.14Å; Y229-V236 HydrophobicContact CD2-CG1 3.61Å; Y229-V236 HydrophobicContact CD2-CG2 4.45Å; Y229-V236 HydrophobicContact CE2-CG1 4.09Å; Y229-V236 HydrophobicContact CG-CG1 4.01Å; Y229-V236 HydrophobicContact CG-CG2 4.15Å
230L97.1Very high95.8Very high12 Ų1267.4 Ų67.46%0.06338%0.379CS..SBendtrans-85.757.4173.6-65-176.1000112L44 L45 N48 F50 P213 V215 Y228L44-L230 WeakPolarHBondContact CD1-O 3.41Å; L45-L230 HydrophobicContact CD2-CD1 3.53Å; L45-L230 HydrophobicContact CG-CD1 4.28Å; N48-L230 HydrophobicContact CB-CD1 4.43Å; F50-L230 HydrophobicContact CD2-CD1 3.84Å; F50-L230 HydrophobicContact CE2-CD1 3.53Å; F50-L230 HydrophobicContact CE2-CD2 3.93Å; F50-L230 HydrophobicContact CE2-CG 4.36Å; F50-L230 HydrophobicContact CZ-CD1 4.12Å; F50-L230 HydrophobicContact CZ-CD2 4.34Å; P213-L230 HydrophobicContact CB-CB 4.21Å; P213-L230 HydrophobicContact CB-CD1 3.97Å; P213-L230 HydrophobicContact CB-CG 4.22Å; P213-L230 HydrophobicContact CG-CB 4.42Å; P213-L230 HydrophobicContact CG-CD1 4.41Å; P213-L230 PolarHBondContact O-N 2.72Å; V215-L230 HydrophobicContact CG2-CD1 3.95Å; V215-L230 HydrophobicContact CG2-CD2 3.87Å; V215-L230 HydrophobicContact CG2-CG 3.68Å; Y228-L230 HydrophobicContact CD2-CD2 4.17Å; Y228-L230 HydrophobicContact CE2-CD2 3.74Å
231A95.9Very high95.7Very high32 Ų3266.4 Ų66.426%0.26437%0.371SS..SBendtrans-158.4163172.200000109.3I212 Y229 T235 V236I212-A231 HydrophobicContact CG2-CB 3.98Å; Y229-A231 PolarHBondContact O-N 2.7Å; Y229-A231 VanDerWaalsContact O-N 3.14Å; A231-T235 HydrophobicContact CB-CG2 4Å; A231-V236 HydrophobicContact CB-CG2 3.82Å
232D94.9Very high95.4Very high93 Ų9366.7 Ų66.750%0.49736%0.363SS..  trans-65.2155.2173.46890.6000111.6A234 T235 V236D232-A234 PolarHBondContact O-N 3.01Å; D232-A234 WeakPolarHBondContact OD1-CA 3.5Å; D232-A234 WeakPolarHBondContact OD1-CB 3.13Å; D232-A234 PolarHBondContact OD1-N 3.14Å; D232-A234 VanDerWaalsContact OD1-N 3.11Å; D232-T235 VanDerWaalsContact CG-OG1 3.32Å; D232-T235 PolarHBondContact O-N 3.27Å; D232-T235 VanDerWaalsContact O-N 3.17Å; D232-T235 PolarHBondContact OD1-N 3.49Å; D232-T235 PolarHBondContact OD1-OG1 3.35Å; D232-T235 VanDerWaalsContact OD2-CB 3.27Å; D232-T235 WeakPolarHBondContact OD2-CB 3.37Å; D232-T235 PolarHBondContact OD2-OG1 3.23Å; D232-V236 WeakPolarHBondContact O-CG2 3.49Å; D232-V236 PolarHBondContact O-N 3.26Å
233E94.1Very high94.9Very high177 Ų17766.3 Ų66.383%0.82736%0.361SS*.Hα-helixtrans-57.2-35.3-175.2-66.5-176.6174.100113V236 A237E233-V236 PolarHBondContact O-N 3.2Å; E233-A237 WeakPolarHBondContact O-CB 3.27Å; E233-A237 PolarHBondContact O-N 3.24Å
234A96Very high94.5Very high71 Ų7161.1 Ų61.159%0.58734%0.344SS*.Hα-helixtrans-70-43.7-179.600000111.2D232 A237 A238D232-A234 PolarHBondContact O-N 3.01Å; D232-A234 WeakPolarHBondContact OD1-CA 3.5Å; D232-A234 WeakPolarHBondContact OD1-CB 3.13Å; D232-A234 PolarHBondContact OD1-N 3.14Å; D232-A234 VanDerWaalsContact OD1-N 3.11Å; A234-A237 PolarHBondContact O-N 2.81Å; A234-A238 WeakPolarHBondContact O-CB 3.46Å; A234-A238 PolarHBondContact O-N 3.49Å
235T94.7Very high93.8Very high70 Ų7063.2 Ų63.243%0.42935%0.353SS..Hα-helixtrans-60.3-45.3174-65.20000111.4I212 A231 D232 A239I212-T235 HydrophobicContact CD1-CG2 4.27Å; A231-T235 HydrophobicContact CB-CG2 4Å; D232-T235 VanDerWaalsContact CG-OG1 3.32Å; D232-T235 PolarHBondContact O-N 3.27Å; D232-T235 VanDerWaalsContact O-N 3.17Å; D232-T235 PolarHBondContact OD1-N 3.49Å; D232-T235 PolarHBondContact OD1-OG1 3.35Å; D232-T235 VanDerWaalsContact OD2-CB 3.27Å; D232-T235 WeakPolarHBondContact OD2-CB 3.37Å; D232-T235 PolarHBondContact OD2-OG1 3.23Å; T235-A239 WeakPolarHBondContact O-CB 3.36Å; T235-A239 PolarHBondContact O-N 2.84Å
236V95.3Very high92.8Very high17 Ų1760.9 Ų60.910%0.10334%0.336CS..Hα-helixtrans-63.6-49.1178.1176.50000110.9I212 Y229 A231 D232 E233 A238 A239 I240I212-V236 HydrophobicContact CD1-CG2 4.35Å; I212-V236 HydrophobicContact CG2-CG2 4.47Å; Y229-V236 HydrophobicContact CD2-CG1 3.61Å; Y229-V236 HydrophobicContact CD2-CG2 4.45Å; Y229-V236 HydrophobicContact CE2-CG1 4.09Å; Y229-V236 HydrophobicContact CG-CG1 4.01Å; Y229-V236 HydrophobicContact CG-CG2 4.15Å; A231-V236 HydrophobicContact CB-CG2 3.82Å; D232-V236 WeakPolarHBondContact O-CG2 3.49Å; D232-V236 PolarHBondContact O-N 3.26Å; E233-V236 PolarHBondContact O-N 3.2Å; V236-A238 VanDerWaalsContact C-N 3.34Å; V236-A238 PolarHBondContact O-N 3.09Å; V236-A239 PolarHBondContact O-N 3.27Å; V236-I240 HydrophobicContact CG1-CD1 3.74Å; V236-I240 HydrophobicContact CG1-CG1 4.32Å; V236-I240 WeakPolarHBondContact O-CB 3.46Å; V236-I240 WeakPolarHBondContact O-CG1 3.36Å; V236-I240 PolarHBondContact O-N 3.01Å
237A94.6Very high91.3Very high59 Ų5957 Ų5749%0.48832%0.323SS..Hα-helixtrans-60.7-42.7-179.700000111.9E233 A234 I240 A241E233-A237 WeakPolarHBondContact O-CB 3.27Å; E233-A237 PolarHBondContact O-N 3.24Å; A234-A237 PolarHBondContact O-N 2.81Å; A237-I240 PolarHBondContact O-N 3.27Å; A237-A241 WeakPolarHBondContact O-CB 3.48Å; A237-A241 PolarHBondContact O-N 3.26Å
238A94.1Very high89.9Confident51 Ų5158.7 Ų58.742%0.42133%0.329SS..Hα-helixtrans-61.9-44.4175.600000111.7A234 V236 A241 R242A234-A238 WeakPolarHBondContact O-CB 3.46Å; A234-A238 PolarHBondContact O-N 3.49Å; V236-A238 VanDerWaalsContact C-N 3.34Å; V236-A238 PolarHBondContact O-N 3.09Å; A238-A241 PolarHBondContact O-N 2.89Å; A238-R242 WeakPolarHBondContact O-CG 3.28Å; A238-R242 PolarHBondContact O-N 2.93Å
239A93.7Very high88.1Confident1 Ų164.1 Ų64.11%0.00835%0.354CS..Hα-helixtrans-66.6-39.5178.600000112.6P209 I212 T235 V236 R242 V243P209-A239 HydrophobicContact CB-CB 3.52Å; I212-A239 HydrophobicContact CD1-CB 3.56Å; T235-A239 WeakPolarHBondContact O-CB 3.36Å; T235-A239 PolarHBondContact O-N 2.84Å; V236-A239 PolarHBondContact O-N 3.27Å; A239-R242 PolarHBondContact O-N 3.09Å; A239-V243 WeakPolarHBondContact O-CG2 3.35Å; A239-V243 PolarHBondContact O-N 2.93Å; A239-V243 VanDerWaalsContact O-N 3.15Å
240I93.8Very high85.8Confident55 Ų5573.7 Ų73.728%0.28240%0.397SS..Hα-helixtrans-61.1-44.8173.1-72.4176.6000110.6N207 P209 V236 A237 R242 V243 A244N207-I240 HydrophobicContact CB-CG2 4.1Å; P209-I240 HydrophobicContact CB-CG1 4.29Å; P209-I240 HydrophobicContact CG-CG1 4.24Å; V236-I240 HydrophobicContact CG1-CD1 3.74Å; V236-I240 HydrophobicContact CG1-CG1 4.32Å; V236-I240 WeakPolarHBondContact O-CB 3.46Å; V236-I240 WeakPolarHBondContact O-CG1 3.36Å; V236-I240 PolarHBondContact O-N 3.01Å; A237-I240 PolarHBondContact O-N 3.27Å; I240-R242 PolarHBondContact O-N 3.43Å; I240-V243 PolarHBondContact O-N 3.03Å; I240-A244 PolarHBondContact O-N 3.46Å
241A92Very high85.3Confident47 Ų4776.8 Ų76.839%0.38841%0.414SS..Hα-helixtrans-62.9-39.8177.600000112.2A237 A238 V243 A244 N245A237-A241 WeakPolarHBondContact O-CB 3.48Å; A237-A241 PolarHBondContact O-N 3.26Å; A238-A241 PolarHBondContact O-N 2.89Å; A241-V243 VanDerWaalsContact C-N 3.32Å; A241-V243 PolarHBondContact O-N 3.25Å; A241-A244 PolarHBondContact O-N 2.94Å; A241-N245 WeakPolarHBondContact O-CB 3.49Å; A241-N245 PolarHBondContact O-N 3.34Å; A241-N245 PolarHBondContact O-ND2 2.94Å
242R89.1Confident84.7Confident129 Ų12979.1 Ų79.149%0.48742%0.421SS..Hα-helixtrans-56.8-46.1172.7-71.3-163.4-56.6-118.310111.2E37 A238 A239 I240 N245 Q246E37-R242 IonicContact OE1-NH2 2.84Å; E37-R242 PolarHBondContact OE1-NH2 2.89Å; A238-R242 WeakPolarHBondContact O-CG 3.28Å; A238-R242 PolarHBondContact O-N 2.93Å; A239-R242 PolarHBondContact O-N 3.09Å; I240-R242 PolarHBondContact O-N 3.43Å; R242-N245 PolarHBondContact O-N 2.88Å; R242-Q246 PolarHBondContact O-N 3.06Å
243V86.5Confident84.2Confident6 Ų678.3 Ų78.34%0.03642%0.417CS..Hα-helixtrans-63.5-44178.1173.20000111.7R10 N207 A239 I240 A241 N245 Q246R10-V243 VanDerWaalsContact NH1-CG2 3.26Å; N207-V243 HydrophobicContact CB-CB 4.33Å; N207-V243 HydrophobicContact CB-CG1 3.93Å; A239-V243 WeakPolarHBondContact O-CG2 3.35Å; A239-V243 PolarHBondContact O-N 2.93Å; A239-V243 VanDerWaalsContact O-N 3.15Å; I240-V243 PolarHBondContact O-N 3.03Å; A241-V243 VanDerWaalsContact C-N 3.32Å; A241-V243 PolarHBondContact O-N 3.25Å; V243-N245 PolarHBondContact O-N 3.45Å; V243-Q246 WeakPolarHBondContact O-CB 3.17Å; V243-Q246 PolarHBondContact O-N 3.3Å; V243-Q246 VanDerWaalsContact O-N 3.15Å
244A86.5Confident83.6Confident29 Ų2972.5 Ų72.524%0.2439%0.393CS..Hα-helixtrans-61.2-32.2177.900000112.5I240 A241I240-A244 PolarHBondContact O-N 3.46Å; A241-A244 PolarHBondContact O-N 2.94Å
245N83.1Confident82.8Confident83 Ų8372.6 Ų72.644%0.44438%0.381SS..Hα-helixtrans-84.4-9.8178.8-70.1-30.4000114.2A241 R242 V243 G247 K248A241-N245 WeakPolarHBondContact O-CB 3.49Å; A241-N245 PolarHBondContact O-N 3.34Å; A241-N245 PolarHBondContact O-ND2 2.94Å; R242-N245 PolarHBondContact O-N 2.88Å; V243-N245 PolarHBondContact O-N 3.45Å; N245-G247 PolarHBondContact O-N 2.85Å; N245-K248 WeakPolarHBondContact O-CB 3.36Å; N245-K248 PolarHBondContact O-N 3.48Å; N245-K248 VanDerWaalsContact O-N 3.09Å; N245-K248 PolarHBondContact OD1-NZ 3.38Å
246Q76.3Confident82Confident37 Ų3772.8 Ų72.817%0.17338%0.378CS..THydrogen-bonded Turntrans-57.4128.7172.7-68.8176.4-0.200109.9R116 R242 V243R116-Q246 PolarHBondContact NH1-O 3.36Å; R116-Q246 PolarHBondContact NH2-O 2.78Å; R242-Q246 PolarHBondContact O-N 3.06Å; V243-Q246 WeakPolarHBondContact O-CB 3.17Å; V243-Q246 PolarHBondContact O-N 3.3Å; V243-Q246 VanDerWaalsContact O-N 3.15Å
247G65.3Low81.1Confident14 Ų1476.8 Ų76.814%0.14440%0.397CS..THydrogen-bonded Turntrans93.6-10.2-177.400000115.6N20 N245N20-G247 WeakPolarHBondContact OD1-CA 3.4Å; N20-G247 PolarHBondContact OD1-N 3.45Å; N245-G247 PolarHBondContact O-N 2.85Å
248K68.5Low80Confident127 Ų12778.2 Ų78.255%0.55239%0.39SS*.SBendtrans-75.8152.2169.2-67.3-176.9-178.5171.10110N245 K250N245-K248 WeakPolarHBondContact O-CB 3.36Å; N245-K248 PolarHBondContact O-N 3.48Å; N245-K248 VanDerWaalsContact O-N 3.09Å; N245-K248 PolarHBondContact OD1-NZ 3.38Å; K248-K250 PolarHBondContact O-N 3.43Å
249K59.3Low78.8Confident185 Ų18580.4 Ų80.480%0.80439%0.388SS*.  trans-58129.1171.8-130176.8-179.5-179.80108.2
250K51.7Low77.5Confident252 Ų25287.6 Ų87.6100%1.09642%0.422SS*.  trans-73.10164.4-80.4-174.3177.81750109K248K248-K250 PolarHBondContact O-N 3.43Å

Retrieved 250 of 250 residues in 69.3 ms (Link to these results)

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