C4Q5J8_SCHMA Loading...

Glycerol-3-phosphate dehydrogenase [NAD(+)]

AlphaFold DB , UniProt , Accession C4Q5J8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 351 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
1M61.3Low93.1Very high243 Ų24350.1 Ų50.1100%1.19726%0.263SS*.  0139.10-100.7174.8-171.700107.7
2S83.9Confident93.1Very high104 Ų10448.3 Ų48.373%0.72727%0.266SS*.PPolyproline II helixtrans-66.3140.816952.30000109.5
3L94.6Very high93.1Very high91 Ų9148.9 Ų48.948%0.47627%0.268SS..PPolyproline II helixtrans-60.2143.8172.3-65.2178.2000110.2P30 E31 V33L3-P30 WeakPolarHBondContact CD2-O 3.26Å; L3-E31 CarbonylContact C-O 3.53Å; L3-E31 WeakPolarHBondContact CA-O 3.45Å; L3-V33 HydrophobicContact CB-CG2 3.61Å; L3-V33 HydrophobicContact CD1-CG2 4.48Å
4R97.2Very high93.3Very high58 Ų5848 Ų4822%0.21926%0.259CS..EExtended strand (participates in β ladder)trans-89137179.9-60.8-161.471.3175.4-6.4111.5E31 Y32 V33 D87 E177R4-E31 PolarHBondContact N-O 3.48Å; R4-Y32 HydrophobicContact CB-CD1 3.7Å; R4-Y32 HydrophobicContact CB-CE1 3.86Å; R4-Y32 CarbonylContact O-C 3.58Å; R4-Y32 VanDerWaalsContact O-CA 3.28Å; R4-Y32 WeakPolarHBondContact O-CA 3.29Å; R4-Y32 WeakPolarHBondContact O-CD1 3.36Å; R4-V33 PolarHBondContact O-N 3.31Å; R4-D87 VanDerWaalsContact CA-OD2 3.28Å; R4-D87 WeakPolarHBondContact CA-OD2 3.32Å; R4-D87 HydrophobicContact CB-CB 4.31Å; R4-E177 IonicContact CZ-OE1 2.68Å; R4-E177 IonicContact CZ-OE2 2.8Å; R4-E177 VanDerWaalsContact CZ-OE2 3.25Å; R4-E177 IonicContact NE-OE1 3.78Å; R4-E177 PolarHBondContact NE-OE1 3.01Å; R4-E177 IonicContact NH1-OE1 3.93Å; R4-E177 PolarHBondContact NH1-OE1 3.07Å; R4-E177 IonicContact NH1-OE2 3.81Å; R4-E177 PolarHBondContact NH1-OE2 3.25Å; R4-E177 IonicContact NH2-OE1 3.57Å; R4-E177 IonicContact NH2-OE2 2.89Å; R4-E177 PolarHBondContact NH2-OE2 3.4Å
5R98.4Very high93.6Very high39 Ų3944.9 Ų44.915%0.14724%0.242CC..EExtended strand (participates in β ladder)trans-104.9134.5179.2-175.8174.9-70-84.26.6111.3V33 E35 D87 V88R5-V33 HydrophobicContact CB-CG2 4.29Å; R5-E35 IonicContact CZ-OE1 3.17Å; R5-E35 IonicContact NH1-OE1 2.78Å; R5-E35 PolarHBondContact NH1-OE1 2.92Å; R5-D87 PolarHBondContact N-OD2 3.11Å; R5-D87 PolarHBondContact O-N 3.03Å; R5-V88 PolarHBondContact O-N 2.76Å; R5-V88 VanDerWaalsContact O-N 3.17Å
6V98.8Very high93.9Very high2 Ų242.1 Ų42.11%0.01223%0.227CC..EExtended strand (participates in β ladder)trans-113.2131.8176.2-173.30000109.2V22 I26 Y32 V88 I90 L181V6-V22 HydrophobicContact CB-CG1 4.34Å; V6-V22 HydrophobicContact CG1-CG1 3.74Å; V6-I26 HydrophobicContact CG2-CG2 4.37Å; V6-Y32 HydrophobicContact CG2-CD1 3.77Å; V6-Y32 HydrophobicContact CG2-CE1 3.9Å; V6-V88 HydrophobicContact CG1-CB 4.26Å; V6-V88 HydrophobicContact CG1-CG1 4.49Å; V6-V88 HydrophobicContact CG2-CB 4.26Å; V6-V88 HydrophobicContact CG2-CG2 4.44Å; V6-I90 HydrophobicContact CG1-CD1 3.81Å; V6-I90 HydrophobicContact CG1-CG1 4.4Å; V6-L181 HydrophobicContact CG2-CD1 4.18Å; V6-L181 HydrophobicContact CG2-CD2 3.92Å
7S98.9Very high94.1Very high0 Ų039.6 Ų39.60%021%0.214CC..EExtended strand (participates in β ladder)trans-128140.2178.4-64.30000111R37 V82 A86 V88 I90S7-R37 CarbonylContact C-O 3.53Å; S7-R37 VanDerWaalsContact CA-O 3.29Å; S7-R37 WeakPolarHBondContact CA-O 3.1Å; S7-V82 WeakPolarHBondContact CB-O 3.43Å; S7-V82 PolarHBondContact OG-O 2.88Å; S7-A86 WeakPolarHBondContact OG-CB 3.42Å; S7-V88 PolarHBondContact N-O 3.12Å; S7-I90 PolarHBondContact O-N 3.17Å
8V98.9Very high94.4Very high0 Ų037.4 Ų37.40%020%0.202CC..EExtended strand (participates in β ladder)trans-105.6115.3175.5-176.50000108.6G10 A19 V36 R37 M38 W39 I90 V92V8-G10 WeakPolarHBondContact CG1-O 3.35Å; V8-G10 PolarHBondContact O-N 3.31Å; V8-A19 HydrophobicContact CG2-CB 4.21Å; V8-V36 HydrophobicContact CG2-CG1 3.96Å; V8-R37 PolarHBondContact N-O 3.14Å; V8-M38 HydrophobicContact CB-CB 4.39Å; V8-M38 HydrophobicContact CB-CG 4.22Å; V8-M38 HydrophobicContact CG1-CG 4.36Å; V8-M38 CarbonylContact O-C 3.48Å; V8-M38 WeakPolarHBondContact O-CA 3.48Å; V8-W39 PolarHBondContact O-N 3.4Å; V8-I90 CarbonylContact C-O 3.52Å; V8-I90 HydrophobicContact CG2-CB 4.35Å; V8-I90 HydrophobicContact CG2-CD1 4.2Å; V8-V92 HydrophobicContact CG1-CG1 3.72Å
9I98.7Very high94.6Very high0 Ų035.4 Ų35.40%019%0.191CC..EExtended strand (participates in β ladder)trans-95.387.3177.9-45.1-59.9000108.5W39 V79 V82 A83 L89 I90 I91 V92 M93 T101 M105I9-W39 HydrophobicContact CD1-CB 4.48Å; I9-W39 HydrophobicContact CG2-CB 4.48Å; I9-W39 HydrophobicContact CG2-CD2 4.32Å; I9-W39 HydrophobicContact CG2-CE3 3.62Å; I9-W39 HydrophobicContact CG2-CZ3 4.25Å; I9-V79 HydrophobicContact CD1-CG2 4.49Å; I9-V79 HydrophobicContact CG2-CG2 3.98Å; I9-V82 HydrophobicContact CD1-CB 4.38Å; I9-V82 HydrophobicContact CD1-CG1 3.62Å; I9-A83 HydrophobicContact CD1-CB 4.43Å; I9-L89 HydrophobicContact CD1-CD2 4.11Å; I9-L89 HydrophobicContact CG1-CD2 4.17Å; I9-I90 PolarHBondContact N-O 2.91Å; I9-I91 HydrophobicContact CB-CG1 4.49Å; I9-I91 HydrophobicContact CG1-CG1 4.49Å; I9-V92 PolarHBondContact O-N 3.06Å; I9-M93 HydrophobicContact CB-CE 4.14Å; I9-M93 HydrophobicContact CG2-CE 3.45Å; I9-M93 VanDerWaalsContact CG2-CE 3.45Å; I9-M93 WeakPolarHBondContact O-CE 3.47Å; I9-T101 HydrophobicContact CG2-CG2 3.85Å; I9-M105 HydrophobicContact CD1-CE 4.07Å; I9-M105 HydrophobicContact CD1-SD 4.32Å; I9-M105 HydrophobicContact CG1-CE 3.79Å; I9-M105 HydrophobicContact CG1-SD 4.1Å; I9-M105 HydrophobicContact CG2-SD 3.76Å
10G97.5Very high94.8Very high4 Ų434.5 Ų34.54%0.04119%0.185CC..  trans133139.3175.900000112.9V8 W39 V92V8-G10 WeakPolarHBondContact CG1-O 3.35Å; V8-G10 PolarHBondContact O-N 3.31Å; G10-W39 CarbonylContact C-O 3.56Å; G10-W39 PolarHBondContact N-O 2.8Å; G10-V92 WeakPolarHBondContact CA-O 3.35Å
11S96Very high95Very high10 Ų1032.8 Ų32.87%0.0718%0.176CC..  trans-124.624.1-169.564.20000113.6S16 W39 V40 N60 Y63S11-S16 PolarHBondContact O-OG 3.1Å; S11-W39 WeakPolarHBondContact CB-O 3.36Å; S11-W39 PolarHBondContact N-O 2.83Å; S11-V40 WeakPolarHBondContact OG-CA 3.46Å; S11-N60 PolarHBondContact O-ND2 3.09Å; S11-Y63 WeakPolarHBondContact O-CD2 3.44Å
12G93.6Very high96.8Very high29 Ų2921.2 Ų21.230%0.29912%0.119SC..SBendtrans-66-174.5171.100000111.8W14 G15 S16G12-W14 VanDerWaalsContact C-N 3.3Å; G12-W14 PolarHBondContact O-N 3.16Å; G12-G15 PolarHBondContact O-N 2.89Å; G12-S16 WeakPolarHBondContact O-CB 3.35Å; G12-S16 PolarHBondContact O-N 3.11Å; G12-S16 PolarHBondContact O-OG 2.92Å
13N93.1Very high97.5Very high56 Ų5616.3 Ų16.330%0.2999%0.085SC..Hα-helixtrans-54.1-48.5178.5-172.2-17000111T17 Y63 L64 A154 T155N13-T17 WeakPolarHBondContact O-CB 3.47Å; N13-T17 PolarHBondContact O-N 3.46Å; N13-T17 VanDerWaalsContact O-N 3.11Å; N13-T17 PolarHBondContact O-OG1 2.92Å; N13-Y63 VanDerWaalsContact CA-O 3.3Å; N13-Y63 WeakPolarHBondContact CA-O 3.28Å; N13-Y63 WeakPolarHBondContact CB-O 3.2Å; N13-Y63 VanDerWaalsContact CG-O 3.28Å; N13-L64 WeakPolarHBondContact OD1-CD1 3.31Å; N13-A154 HydrophobicContact CB-CB 4.21Å; N13-A154 WeakPolarHBondContact OD1-CB 3.27Å; N13-T155 PolarHBondContact ND2-OG1 2.99Å
14W95.2Very high97.7Very high36 Ų3614.6 Ų14.614%0.1368%0.076CC..Hα-helixtrans-69.7-42.3177.9-165.3-136.8000113.4G12 S16 T17 I18 V92 L148 N152 A154 V157 F187G12-W14 VanDerWaalsContact C-N 3.3Å; G12-W14 PolarHBondContact O-N 3.16Å; W14-S16 VanDerWaalsContact C-N 3.35Å; W14-S16 PolarHBondContact O-N 2.95Å; W14-T17 HydrophobicContact CE3-CG2 4.01Å; W14-T17 HydrophobicContact CZ3-CG2 3.75Å; W14-T17 WeakPolarHBondContact O-CB 3.36Å; W14-T17 PolarHBondContact O-N 3.13Å; W14-I18 HydrophobicContact CD2-CD1 4.47Å; W14-I18 HydrophobicContact CD2-CG1 4.09Å; W14-I18 HydrophobicContact CE3-CG1 4.42Å; W14-I18 HydrophobicContact CH2-CD1 3.89Å; W14-I18 HydrophobicContact CH2-CG1 4.5Å; W14-I18 HydrophobicContact CZ2-CD1 3.69Å; W14-I18 HydrophobicContact CZ2-CG1 4.2Å; W14-I18 HydrophobicContact CZ3-CD1 4.38Å; W14-I18 VanDerWaalsContact O-CG1 3.27Å; W14-I18 WeakPolarHBondContact O-CG1 2.89Å; W14-I18 PolarHBondContact O-N 3.28Å; W14-V92 HydrophobicContact CB-CG2 4.14Å; W14-V92 HydrophobicContact CG-CG2 4.19Å; W14-L148 HydrophobicContact CZ2-CD2 4.38Å; W14-N152 HydrophobicContact CH2-CB 3.32Å; W14-N152 HydrophobicContact CZ2-CB 3.54Å; W14-N152 HydrophobicContact CZ3-CB 3.97Å; W14-A154 HydrophobicContact CB-CB 4.17Å; W14-A154 HydrophobicContact CD2-CB 4.36Å; W14-A154 HydrophobicContact CE3-CB 3.55Å; W14-A154 HydrophobicContact CZ3-CB 4.35Å; W14-V157 HydrophobicContact CH2-CB 4.41Å; W14-V157 HydrophobicContact CH2-CG1 4.24Å; W14-V157 HydrophobicContact CH2-CG2 4.15Å; W14-V157 HydrophobicContact CZ3-CB 3.9Å; W14-V157 HydrophobicContact CZ3-CG1 4.06Å; W14-V157 HydrophobicContact CZ3-CG2 3.89Å; W14-F187 HydrophobicContact CH2-CE2 4.35Å; W14-F187 AromaticContact CH2-CZ 3.99Å; W14-F187 HydrophobicContact CH2-CZ 3.99Å; W14-F187 HydrophobicContact CZ2-CZ 4.16Å
15G97.6Very high97.8Very high1 Ų111.9 Ų11.91%0.017%0.066CC..Hα-helixtrans-60.8-41.9177.600000113.2G12 I18 A19 V92G12-G15 PolarHBondContact O-N 2.89Å; G15-I18 PolarHBondContact O-N 2.79Å; G15-A19 WeakPolarHBondContact O-CB 3.22Å; G15-A19 PolarHBondContact O-N 3.19Å; G15-V92 VanDerWaalsContact CA-CG1 3.48Å
16S98.5Very high97.7Very high0 Ų010.2 Ų10.20%06%0.06CC..Hα-helixtrans-66.3-40.5176.3-54.60000111.9S11 G12 W14 I18 A19 K20 N60 L69S11-S16 PolarHBondContact O-OG 3.1Å; G12-S16 WeakPolarHBondContact O-CB 3.35Å; G12-S16 PolarHBondContact O-N 3.11Å; G12-S16 PolarHBondContact O-OG 2.92Å; W14-S16 VanDerWaalsContact C-N 3.35Å; W14-S16 PolarHBondContact O-N 2.95Å; S16-I18 VanDerWaalsContact C-N 3.32Å; S16-I18 PolarHBondContact O-N 3.03Å; S16-A19 PolarHBondContact O-N 3.11Å; S16-K20 PolarHBondContact O-N 3.03Å; S16-N60 PolarHBondContact OG-ND2 2.98Å; S16-L69 WeakPolarHBondContact O-CD2 3.14Å
17T98.5Very high97.6Very high0 Ų015.9 Ų15.90%09%0.085CC..Hα-helixtrans-61.5-41.9175.4-59.70000111.4N13 W14 K20 I21 A154 V157N13-T17 WeakPolarHBondContact O-CB 3.47Å; N13-T17 PolarHBondContact O-N 3.46Å; N13-T17 VanDerWaalsContact O-N 3.11Å; N13-T17 PolarHBondContact O-OG1 2.92Å; W14-T17 HydrophobicContact CE3-CG2 4.01Å; W14-T17 HydrophobicContact CZ3-CG2 3.75Å; W14-T17 WeakPolarHBondContact O-CB 3.36Å; W14-T17 PolarHBondContact O-N 3.13Å; T17-K20 WeakPolarHBondContact O-CB 3.09Å; T17-K20 PolarHBondContact O-N 2.94Å; T17-I21 HydrophobicContact CG2-CD1 4.41Å; T17-I21 WeakPolarHBondContact O-CG1 3.47Å; T17-I21 PolarHBondContact O-N 3.21Å; T17-I21 VanDerWaalsContact O-N 3.13Å; T17-A154 PolarHBondContact OG1-O 2.96Å; T17-V157 HydrophobicContact CG2-CB 3.98Å; T17-V157 HydrophobicContact CG2-CG1 3.96Å
18I98.6Very high97.5Very high0 Ų022.2 Ų22.20%011%0.112CC..Hα-helixtrans-71.3-37.5178.3-65.5-69.1000111.3W14 G15 S16 K20 I21 V22 I90 L118 F182 F187W14-I18 HydrophobicContact CD2-CD1 4.47Å; W14-I18 HydrophobicContact CD2-CG1 4.09Å; W14-I18 HydrophobicContact CE3-CG1 4.42Å; W14-I18 HydrophobicContact CH2-CD1 3.89Å; W14-I18 HydrophobicContact CH2-CG1 4.5Å; W14-I18 HydrophobicContact CZ2-CD1 3.69Å; W14-I18 HydrophobicContact CZ2-CG1 4.2Å; W14-I18 HydrophobicContact CZ3-CD1 4.38Å; W14-I18 VanDerWaalsContact O-CG1 3.27Å; W14-I18 WeakPolarHBondContact O-CG1 2.89Å; W14-I18 PolarHBondContact O-N 3.28Å; G15-I18 PolarHBondContact O-N 2.79Å; S16-I18 VanDerWaalsContact C-N 3.32Å; S16-I18 PolarHBondContact O-N 3.03Å; I18-K20 VanDerWaalsContact C-N 3.29Å; I18-K20 PolarHBondContact O-N 3.49Å; I18-I21 HydrophobicContact CD1-CD1 4.44Å; I18-I21 PolarHBondContact O-N 3.06Å; I18-V22 HydrophobicContact CG2-CG2 4.08Å; I18-V22 WeakPolarHBondContact O-CB 3.5Å; I18-V22 WeakPolarHBondContact O-CG2 3.38Å; I18-V22 PolarHBondContact O-N 2.82Å; I18-I90 HydrophobicContact CG2-CD1 4.29Å; I18-I90 HydrophobicContact CG2-CG2 3.92Å; I18-L118 HydrophobicContact CB-CD2 4.39Å; I18-L118 HydrophobicContact CD1-CD2 3.8Å; I18-L118 HydrophobicContact CG1-CD2 3.59Å; I18-L118 HydrophobicContact CG2-CD2 4.19Å; I18-F182 HydrophobicContact CD1-CD1 3.97Å; I18-F182 HydrophobicContact CD1-CE1 3.83Å; I18-F182 HydrophobicContact CG2-CD1 4.29Å; I18-F182 HydrophobicContact CG2-CE1 3.49Å; I18-F182 VanDerWaalsContact CG2-CE1 3.49Å; I18-F182 HydrophobicContact CG2-CZ 4.15Å; I18-F187 HydrophobicContact CD1-CE1 4.11Å
19A98.8Very high97.4Very high0 Ų024.7 Ų24.70%012%0.123CC..Hα-helixtrans-60-39.3172.200000111.7V8 G15 S16 G23 M38 V73V8-A19 HydrophobicContact CG2-CB 4.21Å; G15-A19 WeakPolarHBondContact O-CB 3.22Å; G15-A19 PolarHBondContact O-N 3.19Å; S16-A19 PolarHBondContact O-N 3.11Å; A19-G23 WeakPolarHBondContact O-CA 3.15Å; A19-G23 PolarHBondContact O-N 3.12Å; A19-M38 HydrophobicContact CB-SD 3.65Å; A19-V73 HydrophobicContact CB-CG1 3.85Å; A19-V73 HydrophobicContact CB-CG2 4.4Å; A19-V73 VanDerWaalsContact O-CG2 3.32Å; A19-V73 WeakPolarHBondContact O-CG2 3.32Å
20K98.6Very high97.2Very high16 Ų1630 Ų307%0.0716%0.158CC..Hα-helixtrans-57.5-52.7171.7179.5-165.9175.8-161.20111.5S16 T17 I18 N24 V67 L69 P70 S158 E160S16-K20 PolarHBondContact O-N 3.03Å; T17-K20 WeakPolarHBondContact O-CB 3.09Å; T17-K20 PolarHBondContact O-N 2.94Å; I18-K20 VanDerWaalsContact C-N 3.29Å; I18-K20 PolarHBondContact O-N 3.49Å; K20-N24 WeakPolarHBondContact O-CB 3.13Å; K20-N24 PolarHBondContact O-N 2.8Å; K20-N24 PolarHBondContact O-ND2 3.47Å; K20-V67 HydrophobicContact CD-CG1 4.04Å; K20-L69 HydrophobicContact CB-CD2 4Å; K20-P70 HydrophobicContact CG-CG 4.49Å; K20-S158 PolarHBondContact NZ-O 3.47Å; K20-E160 VanDerWaalsContact NZ-CG 3.32Å; K20-E160 IonicContact NZ-OE1 2.76Å; K20-E160 PolarHBondContact NZ-OE1 2.94Å
21I98.8Very high97.1Very high0 Ų033.1 Ų33.10%017%0.171CC..Hα-helixtrans-61.3-53-176.9-70.6171.4000110.9T17 I18 N24 N25 V157 F182 T184 Y186 F187T17-I21 HydrophobicContact CG2-CD1 4.41Å; T17-I21 WeakPolarHBondContact O-CG1 3.47Å; T17-I21 PolarHBondContact O-N 3.21Å; T17-I21 VanDerWaalsContact O-N 3.13Å; I18-I21 HydrophobicContact CD1-CD1 4.44Å; I18-I21 PolarHBondContact O-N 3.06Å; I21-N24 PolarHBondContact O-N 3.44Å; I21-N25 WeakPolarHBondContact O-CB 3.46Å; I21-N25 PolarHBondContact O-N 2.87Å; I21-V157 HydrophobicContact CD1-CG1 3.83Å; I21-F182 WeakPolarHBondContact CG2-O 3.37Å; I21-T184 HydrophobicContact CG2-CG2 3.95Å; I21-Y186 HydrophobicContact CD1-CE2 4.32Å; I21-Y186 HydrophobicContact CG1-CE2 4.39Å; I21-F187 HydrophobicContact CD1-CB 4.35Å; I21-F187 HydrophobicContact CD1-CD1 3.59Å; I21-F187 HydrophobicContact CD1-CE1 4.13Å; I21-F187 HydrophobicContact CD1-CG 4.18Å; I21-F187 HydrophobicContact CG2-CD1 4.43Å
22V98.8Very high97.2Very high0 Ų033 Ų330%017%0.169CC..Hα-helixtrans-64.4-45.2-178.11740000110.2V6 I18 N24 N25 I26 V36 I90 L181V6-V22 HydrophobicContact CB-CG1 4.34Å; V6-V22 HydrophobicContact CG1-CG1 3.74Å; I18-V22 HydrophobicContact CG2-CG2 4.08Å; I18-V22 WeakPolarHBondContact O-CB 3.5Å; I18-V22 WeakPolarHBondContact O-CG2 3.38Å; I18-V22 PolarHBondContact O-N 2.82Å; V22-N24 VanDerWaalsContact C-N 3.27Å; V22-N24 PolarHBondContact O-N 3.44Å; V22-N25 PolarHBondContact O-N 3.17Å; V22-N25 VanDerWaalsContact O-N 3.1Å; V22-I26 HydrophobicContact CG1-CG2 3.97Å; V22-I26 WeakPolarHBondContact O-CG1 3.33Å; V22-I26 WeakPolarHBondContact O-CG2 3.35Å; V22-I26 PolarHBondContact O-N 2.7Å; V22-V36 HydrophobicContact CG1-CG2 4.02Å; V22-I90 HydrophobicContact CG1-CD1 4.41Å; V22-I90 HydrophobicContact CG2-CD1 3.72Å; V22-L181 HydrophobicContact CG1-CD2 4.47Å
23G98.7Very high97.4Very high0 Ų033 Ų330%016%0.163CC..Hα-helixtrans-56.8-38.2177.400000113.2A19 N72A19-G23 WeakPolarHBondContact O-CA 3.15Å; A19-G23 PolarHBondContact O-N 3.12Å; G23-N72 PolarHBondContact O-ND2 3.39Å; G23-N72 PolarHBondContact O-OD1 2.6Å
24N98.6Very high97.6Very high55 Ų5534.4 Ų34.429%0.29418%0.175SC..Hα-helixtrans-73.7-40.9173.8-79.3-24.7000112.9K20 I21 V22 P70K20-N24 WeakPolarHBondContact O-CB 3.13Å; K20-N24 PolarHBondContact O-N 2.8Å; K20-N24 PolarHBondContact O-ND2 3.47Å; I21-N24 PolarHBondContact O-N 3.44Å; V22-N24 VanDerWaalsContact C-N 3.27Å; V22-N24 PolarHBondContact O-N 3.44Å; N24-P70 WeakPolarHBondContact OD1-CG 3.42Å
25N98.5Very high97.7Very high2 Ų235.6 Ų35.61%0.01118%0.182CC..Hα-helixtrans-71.3-41.5-176.1-81.7-17.7000112.9I21 V22 K27 K28 F29 L181 Q183I21-N25 WeakPolarHBondContact O-CB 3.46Å; I21-N25 PolarHBondContact O-N 2.87Å; V22-N25 PolarHBondContact O-N 3.17Å; V22-N25 VanDerWaalsContact O-N 3.1Å; N25-K27 PolarHBondContact O-N 2.85Å; N25-K27 VanDerWaalsContact O-N 3.16Å; N25-K28 VanDerWaalsContact O-CB 3.31Å; N25-K28 WeakPolarHBondContact O-CB 3.26Å; N25-K28 PolarHBondContact O-N 3.19Å; N25-K28 PolarHBondContact OD1-NZ 3.39Å; N25-F29 WeakPolarHBondContact O-CD2 3.28Å; N25-L181 WeakPolarHBondContact CB-O 3.39Å; N25-L181 PolarHBondContact ND2-O 3.46Å; N25-Q183 PolarHBondContact ND2-O 3.45Å; N25-Q183 PolarHBondContact OD1-O 2.96Å
26I97.7Very high97.8Very high4 Ų435.6 Ų35.62%0.02118%0.182CC..Hα-helixtrans-62.7-26-177.962151000112.8V6 V22 K28 F29 Y32 V33 P34 V36 L181V6-I26 HydrophobicContact CG2-CG2 4.37Å; V22-I26 HydrophobicContact CG1-CG2 3.97Å; V22-I26 WeakPolarHBondContact O-CG1 3.33Å; V22-I26 WeakPolarHBondContact O-CG2 3.35Å; V22-I26 PolarHBondContact O-N 2.7Å; I26-K28 PolarHBondContact O-N 2.8Å; I26-K28 VanDerWaalsContact O-N 3.13Å; I26-F29 PolarHBondContact O-N 2.78Å; I26-F29 VanDerWaalsContact O-O 3.13Å; I26-Y32 HydrophobicContact CB-CD2 4.39Å; I26-Y32 HydrophobicContact CB-CG 4.3Å; I26-Y32 HydrophobicContact CG2-CD1 4.5Å; I26-Y32 HydrophobicContact CG2-CD2 4.28Å; I26-Y32 HydrophobicContact CG2-CG 4.13Å; I26-V33 WeakPolarHBondContact CD1-O 3.49Å; I26-P34 WeakPolarHBondContact CD1-O 3.48Å; I26-V36 HydrophobicContact CD1-CG2 3.44Å; I26-V36 VanDerWaalsContact CD1-CG2 3.44Å; I26-V36 HydrophobicContact CG1-CG2 3.98Å; I26-L181 HydrophobicContact CG2-CD2 3.57Å
27K96.7Very high97.8Very high121 Ų12137.9 Ų37.953%0.52619%0.191SC..THydrogen-bonded Turntrans-60.3-22.9174.7-67.5178.7-175.61790113.1N25 F29 N72N25-K27 PolarHBondContact O-N 2.85Å; N25-K27 VanDerWaalsContact O-N 3.16Å; K27-F29 VanDerWaalsContact C-N 3.31Å; K27-N72 WeakPolarHBondContact CE-OD1 3.49Å; K27-N72 PolarHBondContact NZ-OD1 2.97Å
28K96Very high97.8Very high132 Ų13237.9 Ų37.957%0.57419%0.191SC*.THydrogen-bonded Turntrans-82.5-10.1-179.5-55.1170.5-175.3166.50112.6N25 I26N25-K28 VanDerWaalsContact O-CB 3.31Å; N25-K28 WeakPolarHBondContact O-CB 3.26Å; N25-K28 PolarHBondContact O-N 3.19Å; N25-K28 PolarHBondContact OD1-NZ 3.39Å; I26-K28 PolarHBondContact O-N 2.8Å; I26-K28 VanDerWaalsContact O-N 3.13Å
29F96Very high97.8Very high53 Ų5339.2 Ų39.223%0.23220%0.196CC..  trans-129108-166-64.9-61.4000110.7N25 I26 K27 E31 Y32 K180N25-F29 WeakPolarHBondContact O-CD2 3.28Å; I26-F29 PolarHBondContact O-N 2.78Å; I26-F29 VanDerWaalsContact O-O 3.13Å; K27-F29 VanDerWaalsContact C-N 3.31Å; F29-E31 WeakPolarHBondContact CB-OE2 3.22Å; F29-E31 PolarHBondContact O-N 2.98Å; F29-E31 VanDerWaalsContact O-N 3.14Å; F29-Y32 HydrophobicContact CB-CD2 3.59Å; F29-Y32 HydrophobicContact CB-CE2 3.83Å; F29-Y32 HydrophobicContact CD2-CE2 4.46Å; F29-Y32 HydrophobicContact CG-CE2 4.36Å; F29-Y32 PolarHBondContact O-N 3.21Å; F29-K180 HydrophobicContact CE1-CD 4.26Å; F29-K180 HydrophobicContact CE1-CG 4.44Å; F29-K180 HydrophobicContact CE2-CB 3.98Å; F29-K180 HydrophobicContact CZ-CB 4.03Å; F29-K180 HydrophobicContact CZ-CD 4.37Å; F29-K180 HydrophobicContact CZ-CG 4.11Å
30P95Very high97.8Very high112 Ų11239.2 Ų39.273%0.72720%0.196SC*.THydrogen-bonded Turntrans-69.5-9.9-174.629.8-36.2000113.6L3 Y32L3-P30 WeakPolarHBondContact CD2-O 3.26Å; P30-Y32 PolarHBondContact O-N 3.33Å
31E96.1Very high97.6Very high68 Ų6844.7 Ų44.732%0.31822%0.22SC..THydrogen-bonded Turntrans-73.3-9.6175.764.3-97.7-135.300114.3L3 R4 F29 K180L3-E31 CarbonylContact C-O 3.53Å; L3-E31 WeakPolarHBondContact CA-O 3.45Å; R4-E31 PolarHBondContact N-O 3.48Å; F29-E31 WeakPolarHBondContact CB-OE2 3.22Å; F29-E31 PolarHBondContact O-N 2.98Å; F29-E31 VanDerWaalsContact O-N 3.14Å; E31-K180 IonicContact OE1-NZ 3.29Å; E31-K180 PolarHBondContact OE1-NZ 2.78Å; E31-K180 VanDerWaalsContact OE1-NZ 3.17Å
32Y98Very high97.5Very high9 Ų947.3 Ų47.34%0.03523%0.232CC..EExtended strand (participates in β ladder)trans-102.2150.2-179.3-65.1-77.4000113.4R4 V6 I26 F29 P30 E177 L181R4-Y32 HydrophobicContact CB-CD1 3.7Å; R4-Y32 HydrophobicContact CB-CE1 3.86Å; R4-Y32 CarbonylContact O-C 3.58Å; R4-Y32 VanDerWaalsContact O-CA 3.28Å; R4-Y32 WeakPolarHBondContact O-CA 3.29Å; R4-Y32 WeakPolarHBondContact O-CD1 3.36Å; V6-Y32 HydrophobicContact CG2-CD1 3.77Å; V6-Y32 HydrophobicContact CG2-CE1 3.9Å; I26-Y32 HydrophobicContact CB-CD2 4.39Å; I26-Y32 HydrophobicContact CB-CG 4.3Å; I26-Y32 HydrophobicContact CG2-CD1 4.5Å; I26-Y32 HydrophobicContact CG2-CD2 4.28Å; I26-Y32 HydrophobicContact CG2-CG 4.13Å; F29-Y32 HydrophobicContact CB-CD2 3.59Å; F29-Y32 HydrophobicContact CB-CE2 3.83Å; F29-Y32 HydrophobicContact CD2-CE2 4.46Å; F29-Y32 HydrophobicContact CG-CE2 4.36Å; F29-Y32 PolarHBondContact O-N 3.21Å; P30-Y32 PolarHBondContact O-N 3.33Å; Y32-E177 WeakPolarHBondContact OH-CG 3.49Å; Y32-E177 PolarHBondContact OH-OE1 3.27Å; Y32-L181 HydrophobicContact CD1-CD2 4.47Å; Y32-L181 HydrophobicContact CE1-CD2 3.89Å; Y32-L181 HydrophobicContact CE2-CD2 4.07Å
33V97.9Very high97.3Very high27 Ų2749.5 Ų49.516%0.16424%0.242CC..EExtended strand (participates in β ladder)trans-63.2128.6160.5179.30000107.3L3 R4 R5 I26 E35L3-V33 HydrophobicContact CB-CG2 3.61Å; L3-V33 HydrophobicContact CD1-CG2 4.48Å; R4-V33 PolarHBondContact O-N 3.31Å; R5-V33 HydrophobicContact CB-CG2 4.29Å; I26-V33 WeakPolarHBondContact CD1-O 3.49Å; V33-E35 HydrophobicContact CG1-CB 4.23Å; V33-E35 PolarHBondContact O-N 3.01Å; V33-E35 VanDerWaalsContact O-N 3.11Å
34P96.7Very high97.2Very high87 Ų8755.8 Ų55.857%0.56528%0.275SS*.EExtended strand (participates in β ladder)trans-60.6-23.1-176.2-27.435.2000114.8I26 N72I26-P34 WeakPolarHBondContact CD1-O 3.48Å; P34-N72 VanDerWaalsContact O-CB 3.22Å; P34-N72 WeakPolarHBondContact O-CB 3.32Å; P34-N72 PolarHBondContact O-ND2 3.31Å
35E98.3Very high97Very high61 Ų6154.2 Ų54.229%0.28527%0.268SS..EExtended strand (participates in β ladder)trans-83.3129.2-180-179.4-172.985.900112R5 V33 R37 N72 V74R5-E35 IonicContact CZ-OE1 3.17Å; R5-E35 IonicContact NH1-OE1 2.78Å; R5-E35 PolarHBondContact NH1-OE1 2.92Å; V33-E35 HydrophobicContact CG1-CB 4.23Å; V33-E35 PolarHBondContact O-N 3.01Å; V33-E35 VanDerWaalsContact O-N 3.11Å; E35-R37 HydrophobicContact CG-CG 4.23Å; E35-R37 WeakPolarHBondContact OE1-CG 3.48Å; E35-R37 IonicContact OE1-CZ 2.78Å; E35-R37 IonicContact OE1-NE 3.18Å; E35-R37 PolarHBondContact OE1-NE 3.34Å; E35-R37 IonicContact OE1-NH2 3.87Å; E35-R37 PolarHBondContact OE1-NH2 2.96Å; E35-N72 WeakPolarHBondContact CA-O 3.27Å; E35-V74 HydrophobicContact CG-CB 4.37Å; E35-V74 HydrophobicContact CG-CG2 3.91Å
36V98.8Very high96.8Very high0 Ų062 Ų620%031%0.309CS..EExtended strand (participates in β ladder)trans-102.4117.1164.5178.80000108.5V8 V22 I26 N72 V73 V74V8-V36 HydrophobicContact CG2-CG1 3.96Å; V22-V36 HydrophobicContact CG1-CG2 4.02Å; I26-V36 HydrophobicContact CD1-CG2 3.44Å; I26-V36 VanDerWaalsContact CD1-CG2 3.44Å; I26-V36 HydrophobicContact CG1-CG2 3.98Å; V36-N72 PolarHBondContact N-O 3.11Å; V36-V73 HydrophobicContact CB-CG2 4.36Å; V36-V73 WeakPolarHBondContact O-CA 3.41Å; V36-V74 PolarHBondContact O-N 3.32Å
37R98.7Very high96.6Very high48 Ų4865.1 Ų65.118%0.18134%0.342CS..EExtended strand (participates in β ladder)trans-85.3128.2174.3-64.4-178.1-176.7173.2-1.9109.8S7 V8 E35 S81 V82S7-R37 CarbonylContact C-O 3.53Å; S7-R37 VanDerWaalsContact CA-O 3.29Å; S7-R37 WeakPolarHBondContact CA-O 3.1Å; V8-R37 PolarHBondContact N-O 3.14Å; E35-R37 HydrophobicContact CG-CG 4.23Å; E35-R37 WeakPolarHBondContact OE1-CG 3.48Å; E35-R37 IonicContact OE1-CZ 2.78Å; E35-R37 IonicContact OE1-NE 3.18Å; E35-R37 PolarHBondContact OE1-NE 3.34Å; E35-R37 IonicContact OE1-NH2 3.87Å; E35-R37 PolarHBondContact OE1-NH2 2.96Å; R37-S81 PolarHBondContact NH1-O 3Å; R37-S81 VanDerWaalsContact NH1-O 3.1Å; R37-V82 HydrophobicContact CB-CB 4.42Å; R37-V82 HydrophobicContact CB-CG1 3.9Å; R37-V82 HydrophobicContact CB-CG2 4.37Å
38M98.8Very high96.7Very high0 Ų064.1 Ų64.10%034%0.335CS..EExtended strand (participates in β ladder)trans-115117.8176.4-177.9175.364.200109.4V8 A19 V40 I54 L69 V73 V74 A75 D76V8-M38 HydrophobicContact CB-CB 4.39Å; V8-M38 HydrophobicContact CB-CG 4.22Å; V8-M38 HydrophobicContact CG1-CG 4.36Å; V8-M38 CarbonylContact O-C 3.48Å; V8-M38 WeakPolarHBondContact O-CA 3.48Å; A19-M38 HydrophobicContact CB-SD 3.65Å; M38-V40 HydrophobicContact CE-CG2 3.9Å; M38-V40 HydrophobicContact CG-CG2 4.4Å; M38-V40 PolarHBondContact O-N 3.1Å; M38-I54 HydrophobicContact CE-CD1 4.25Å; M38-I54 HydrophobicContact CE-CG2 4.21Å; M38-L69 HydrophobicContact CE-CD1 4.04Å; M38-V73 HydrophobicContact CB-CG1 4.17Å; M38-V73 HydrophobicContact CE-CG1 4.32Å; M38-V74 PolarHBondContact N-O 2.76Å; M38-A75 WeakPolarHBondContact O-CA 3.4Å; M38-D76 PolarHBondContact O-N 2.95Å
39W98.8Very high96.8Very high28 Ų2863.2 Ų63.211%0.10633%0.331CS..EExtended strand (participates in β ladder)trans-70.8122.6172.3176.856.1000110V8 I9 G10 S11 F41 D76 P77 V79 V82 M93 T101V8-W39 PolarHBondContact O-N 3.4Å; I9-W39 HydrophobicContact CD1-CB 4.48Å; I9-W39 HydrophobicContact CG2-CB 4.48Å; I9-W39 HydrophobicContact CG2-CD2 4.32Å; I9-W39 HydrophobicContact CG2-CE3 3.62Å; I9-W39 HydrophobicContact CG2-CZ3 4.25Å; G10-W39 CarbonylContact C-O 3.56Å; G10-W39 PolarHBondContact N-O 2.8Å; S11-W39 WeakPolarHBondContact CB-O 3.36Å; S11-W39 PolarHBondContact N-O 2.83Å; W39-F41 HydrophobicContact CZ2-CB 4.46Å; W39-F41 HydrophobicContact CZ2-CD2 4.41Å; W39-D76 WeakPolarHBondContact CA-O 3.01Å; W39-P77 PolarHBondContact NE1-O 2.81Å; W39-V79 HydrophobicContact CB-CG2 4.46Å; W39-V79 HydrophobicContact CD2-CB 4.05Å; W39-V79 HydrophobicContact CD2-CG2 3.86Å; W39-V79 HydrophobicContact CE3-CG2 4.34Å; W39-V79 HydrophobicContact CG-CB 3.97Å; W39-V79 HydrophobicContact CG-CG2 3.89Å; W39-V79 HydrophobicContact CZ2-CB 4.47Å; W39-V82 HydrophobicContact CB-CB 4.17Å; W39-V82 HydrophobicContact CB-CG1 4.01Å; W39-V82 HydrophobicContact CB-CG2 3.95Å; W39-M93 HydrophobicContact CE3-CE 4.49Å; W39-M93 HydrophobicContact CZ3-CE 4.07Å; W39-M93 HydrophobicContact CZ3-SD 4.34Å; W39-T101 HydrophobicContact CE3-CG2 4.37Å; W39-T101 HydrophobicContact CH2-CG2 4.09Å; W39-T101 HydrophobicContact CZ3-CG2 3.88Å
40V98.3Very high96.9Very high0 Ų060.7 Ų60.70%032%0.32CS..  trans-118.1119.4177.5178.30000107.8S11 M38 E42 L50 T51 I54 A75 D76 P77S11-V40 WeakPolarHBondContact OG-CA 3.46Å; M38-V40 HydrophobicContact CE-CG2 3.9Å; M38-V40 HydrophobicContact CG-CG2 4.4Å; M38-V40 PolarHBondContact O-N 3.1Å; V40-E42 PolarHBondContact O-N 2.86Å; V40-E42 VanDerWaalsContact O-N 3.16Å; V40-L50 HydrophobicContact CG1-CB 4.37Å; V40-L50 HydrophobicContact CG1-CD2 3.79Å; V40-L50 HydrophobicContact CG1-CG 3.97Å; V40-T51 HydrophobicContact CB-CG2 3.75Å; V40-T51 HydrophobicContact CG1-CG2 3.98Å; V40-T51 HydrophobicContact CG2-CG2 4.43Å; V40-I54 HydrophobicContact CG1-CD1 4.26Å; V40-I54 HydrophobicContact CG2-CD1 3.93Å; V40-A75 HydrophobicContact CG2-CB 3.6Å; V40-D76 PolarHBondContact N-O 2.93Å; V40-P77 WeakPolarHBondContact O-CA 3.48Å
41F94.7Very high97.1Very high131 Ų13155.9 Ų55.958%0.57529%0.288SS*.  trans-61.4122.3168.7-177-99.7000108.5W39 E43W39-F41 HydrophobicContact CZ2-CB 4.46Å; W39-F41 HydrophobicContact CZ2-CD2 4.41Å; F41-E43 HydrophobicContact CD1-CG 3.85Å; F41-E43 HydrophobicContact CE1-CG 4.3Å; F41-E43 PolarHBondContact O-N 2.8Å
42E96.3Very high97.2Very high55 Ų5556.6 Ų56.626%0.25729%0.292SS..  trans-70.8125-169.6-16967.9-85.200111.2V40 K49 L50 T51 P77V40-E42 PolarHBondContact O-N 2.86Å; V40-E42 VanDerWaalsContact O-N 3.16Å; E42-K49 HydrophobicContact CG-CG 4.32Å; E42-L50 PolarHBondContact OE1-N 2.88Å; E42-L50 VanDerWaalsContact OE1-N 3.08Å; E42-T51 PolarHBondContact OE1-N 2.84Å; E42-T51 PolarHBondContact OE1-OG1 2.92Å; E42-T51 WeakPolarHBondContact OE2-CG2 3.43Å; E42-T51 PolarHBondContact OE2-OG1 2.88Å; E42-P77 HydrophobicContact CB-CB 3.95Å; E42-P77 HydrophobicContact CG-CB 4.48Å
43E95.4Very high97.2Very high46 Ų4656.8 Ų56.822%0.21529%0.293CS..  trans-135.5151.8-179.5-62.6-172.391.400109.7F41 L50 K62 Y63F41-E43 HydrophobicContact CD1-CG 3.85Å; F41-E43 HydrophobicContact CE1-CG 4.3Å; F41-E43 PolarHBondContact O-N 2.8Å; E43-L50 WeakPolarHBondContact O-CB 3.42Å; E43-L50 PolarHBondContact O-N 3.29Å; E43-K62 IonicContact OE1-NZ 2.73Å; E43-K62 PolarHBondContact OE1-NZ 3.35Å; E43-K62 IonicContact OE2-NZ 3.7Å; E43-K62 PolarHBondContact OE2-NZ 2.77Å; E43-Y63 WeakPolarHBondContact OE2-CE2 3.4Å; E43-Y63 PolarHBondContact OE2-OH 3.26Å
44L97.1Very high97.2Very high133 Ų13355.5 Ų55.570%0.69629%0.286SS*.EExtended strand (participates in β ladder)trans-89.5123.6171.4-65.8178000109.8R48 K49L44-R48 WeakPolarHBondContact CA-O 3.41Å; L44-K49 HydrophobicContact CD2-CG 4.36Å
45V94.4Very high97.3Very high22 Ų2254.2 Ų54.213%0.13327%0.274CS..EExtended strand (participates in β ladder)trans-122.7116.6173.1-177.60000107.7G47 R48 L50 I53 V61 K62V45-G47 PolarHBondContact O-N 2.93Å; V45-R48 PolarHBondContact N-O 3.45Å; V45-R48 PolarHBondContact O-N 3.34Å; V45-R48 VanDerWaalsContact O-N 3.09Å; V45-L50 HydrophobicContact CG2-CB 4.39Å; V45-L50 HydrophobicContact CG2-CD1 4.18Å; V45-I53 HydrophobicContact CB-CD1 3.83Å; V45-I53 HydrophobicContact CG1-CD1 4.34Å; V45-V61 HydrophobicContact CG1-CG2 4.04Å; V45-K62 HydrophobicContact CG2-CB 4.32Å; V45-K62 HydrophobicContact CG2-CD 4.15Å
46N92.7Very high97.3Very high165 Ų16555.4 Ų55.488%0.88229%0.285SS*.THydrogen-bonded Turntrans50.640.6-176-58.1-29.6000113.3R48N46-R48 VanDerWaalsContact C-N 3.29Å; N46-R48 PolarHBondContact O-N 2.93Å
47G95Very high97.2Very high69 Ų6957.1 Ų57.171%0.71130%0.298SS*.THydrogen-bonded Turntrans79.7-1.5178.100000115.9V45V45-G47 PolarHBondContact O-N 2.93Å
48R97.3Very high97.2Very high100 Ų10057 Ų5738%0.37730%0.299SS..EExtended strand (participates in β ladder)trans-111.6151.9177-66.8175.165.8-153-2.4111.1L44 V45 N46 E52 I53 T56L44-R48 WeakPolarHBondContact CA-O 3.41Å; V45-R48 PolarHBondContact N-O 3.45Å; V45-R48 PolarHBondContact O-N 3.34Å; V45-R48 VanDerWaalsContact O-N 3.09Å; N46-R48 VanDerWaalsContact C-N 3.29Å; N46-R48 PolarHBondContact O-N 2.93Å; R48-E52 IonicContact CZ-OE1 2.96Å; R48-E52 VanDerWaalsContact CZ-OE1 3.29Å; R48-E52 IonicContact NE-OE1 3.36Å; R48-E52 PolarHBondContact NE-OE1 2.9Å; R48-E52 IonicContact NH2-OE1 3.97Å; R48-E52 PolarHBondContact NH2-OE1 3.35Å; R48-I53 HydrophobicContact CB-CD1 3.91Å; R48-I53 HydrophobicContact CB-CG1 3.88Å; R48-T56 PolarHBondContact NH2-OG1 3.11Å; R48-T56 VanDerWaalsContact NH2-OG1 3.09Å
49K98.4Very high97.2Very high114 Ų11458.3 Ų58.350%0.49631%0.305SS..EExtended strand (participates in β ladder)trans-64.3134.3172.8-73.3179.7178.1-176.60109.8E42 L44 T51 E52 I53E42-K49 HydrophobicContact CG-CG 4.32Å; L44-K49 HydrophobicContact CD2-CG 4.36Å; K49-T51 PolarHBondContact O-N 2.87Å; K49-E52 HydrophobicContact CB-CB 4Å; K49-E52 WeakPolarHBondContact O-CB 3.3Å; K49-E52 PolarHBondContact O-N 3.5Å; K49-E52 VanDerWaalsContact O-N 3.16Å; K49-I53 WeakPolarHBondContact O-CG1 3.47Å; K49-I53 PolarHBondContact O-N 2.83Å
50L98.2Very high97.1Very high0 Ų057 Ų570%030%0.3CS..Hα-helixtrans-60.8-37.6-180179.558.5000111.2V40 E42 E43 V45 E52 I53 I54 V61 K62 Y63V40-L50 HydrophobicContact CG1-CB 4.37Å; V40-L50 HydrophobicContact CG1-CD2 3.79Å; V40-L50 HydrophobicContact CG1-CG 3.97Å; E42-L50 PolarHBondContact OE1-N 2.88Å; E42-L50 VanDerWaalsContact OE1-N 3.08Å; E43-L50 WeakPolarHBondContact O-CB 3.42Å; E43-L50 PolarHBondContact O-N 3.29Å; V45-L50 HydrophobicContact CG2-CB 4.39Å; V45-L50 HydrophobicContact CG2-CD1 4.18Å; L50-E52 PolarHBondContact O-N 2.75Å; L50-I53 PolarHBondContact O-N 3.29Å; L50-I54 HydrophobicContact CD1-CD1 3.98Å; L50-I54 HydrophobicContact CD1-CG1 4.16Å; L50-I54 HydrophobicContact CD2-CD1 4.48Å; L50-I54 HydrophobicContact CG-CD1 3.81Å; L50-I54 HydrophobicContact CG-CG1 4.43Å; L50-I54 VanDerWaalsContact O-CG1 3.31Å; L50-I54 WeakPolarHBondContact O-CG1 3.35Å; L50-I54 PolarHBondContact O-N 3.05Å; L50-V61 HydrophobicContact CD1-CG2 4.42Å; L50-K62 HydrophobicContact CD1-CB 4.38Å; L50-Y63 HydrophobicContact CD2-CD2 4.26Å; L50-Y63 HydrophobicContact CD2-CE2 4.06Å
51T98.5Very high97Very high10 Ų1059.5 Ų59.56%0.06132%0.315CS..Hα-helixtrans-60.4-44.317556.90000112.3V40 E42 K49 I54 N55 A75 P77V40-T51 HydrophobicContact CB-CG2 3.75Å; V40-T51 HydrophobicContact CG1-CG2 3.98Å; V40-T51 HydrophobicContact CG2-CG2 4.43Å; E42-T51 PolarHBondContact OE1-N 2.84Å; E42-T51 PolarHBondContact OE1-OG1 2.92Å; E42-T51 WeakPolarHBondContact OE2-CG2 3.43Å; E42-T51 PolarHBondContact OE2-OG1 2.88Å; K49-T51 PolarHBondContact O-N 2.87Å; T51-I54 PolarHBondContact O-N 3.47Å; T51-N55 WeakPolarHBondContact O-CB 3.42Å; T51-N55 VanDerWaalsContact O-CG 3.29Å; T51-N55 PolarHBondContact O-N 3.35Å; T51-N55 PolarHBondContact O-ND2 3.24Å; T51-A75 HydrophobicContact CG2-CB 4.29Å; T51-P77 HydrophobicContact CG2-CB 4Å; T51-P77 HydrophobicContact CG2-CG 4.25Å
52E98.2Very high97Very high83 Ų8357.5 Ų57.539%0.38831%0.307SS..Hα-helixtrans-63.5-42.8176.8-171.7-154.3127.200111.2R48 K49 L50 N55 T56R48-E52 IonicContact CZ-OE1 2.96Å; R48-E52 VanDerWaalsContact CZ-OE1 3.29Å; R48-E52 IonicContact NE-OE1 3.36Å; R48-E52 PolarHBondContact NE-OE1 2.9Å; R48-E52 IonicContact NH2-OE1 3.97Å; R48-E52 PolarHBondContact NH2-OE1 3.35Å; K49-E52 HydrophobicContact CB-CB 4Å; K49-E52 WeakPolarHBondContact O-CB 3.3Å; K49-E52 PolarHBondContact O-N 3.5Å; K49-E52 VanDerWaalsContact O-N 3.16Å; L50-E52 PolarHBondContact O-N 2.75Å; E52-N55 PolarHBondContact O-N 3.13Å; E52-T56 WeakPolarHBondContact O-CB 3.42Å; E52-T56 VanDerWaalsContact O-CG2 3.29Å; E52-T56 WeakPolarHBondContact O-CG2 3.47Å; E52-T56 PolarHBondContact O-N 3.09Å; E52-T56 VanDerWaalsContact O-N 3.07Å; E52-T56 PolarHBondContact O-OG1 2.94Å
53I98.3Very high96.9Very high13 Ų1358.7 Ų58.77%0.06731%0.309CS..Hα-helixtrans-59.5-53.3174.6-65.7162.8000109.5V45 R48 K49 L50 N55 T56 S57 V61V45-I53 HydrophobicContact CB-CD1 3.83Å; V45-I53 HydrophobicContact CG1-CD1 4.34Å; R48-I53 HydrophobicContact CB-CD1 3.91Å; R48-I53 HydrophobicContact CB-CG1 3.88Å; K49-I53 WeakPolarHBondContact O-CG1 3.47Å; K49-I53 PolarHBondContact O-N 2.83Å; L50-I53 PolarHBondContact O-N 3.29Å; I53-N55 VanDerWaalsContact C-N 3.32Å; I53-N55 PolarHBondContact O-N 2.84Å; I53-T56 PolarHBondContact O-N 3.03Å; I53-T56 VanDerWaalsContact O-N 3.13Å; I53-T56 PolarHBondContact O-OG1 3.07Å; I53-T56 VanDerWaalsContact O-OG1 3.14Å; I53-S57 PolarHBondContact O-N 3.11Å; I53-S57 PolarHBondContact O-OG 2.97Å; I53-V61 HydrophobicContact CD1-CG2 4.44Å; I53-V61 HydrophobicContact CG2-CG1 4.04Å; I53-V61 HydrophobicContact CG2-CG2 3.88Å
54I98.7Very high96.9Very high1 Ų156.7 Ų56.71%0.00530%0.3CS..Hα-helixtrans-58.5-44.5-178.4-69.2164.7000111.1M38 V40 L50 T51 T56 H58 E59 N60 L69 A75M38-I54 HydrophobicContact CE-CD1 4.25Å; M38-I54 HydrophobicContact CE-CG2 4.21Å; V40-I54 HydrophobicContact CG1-CD1 4.26Å; V40-I54 HydrophobicContact CG2-CD1 3.93Å; L50-I54 HydrophobicContact CD1-CD1 3.98Å; L50-I54 HydrophobicContact CD1-CG1 4.16Å; L50-I54 HydrophobicContact CD2-CD1 4.48Å; L50-I54 HydrophobicContact CG-CD1 3.81Å; L50-I54 HydrophobicContact CG-CG1 4.43Å; L50-I54 VanDerWaalsContact O-CG1 3.31Å; L50-I54 WeakPolarHBondContact O-CG1 3.35Å; L50-I54 PolarHBondContact O-N 3.05Å; T51-I54 PolarHBondContact O-N 3.47Å; I54-T56 VanDerWaalsContact C-N 3.27Å; I54-T56 PolarHBondContact O-N 3.07Å; I54-H58 WeakPolarHBondContact O-CA 3.32Å; I54-H58 PolarHBondContact O-N 2.84Å; I54-E59 WeakPolarHBondContact CG1-O 3.32Å; I54-N60 HydrophobicContact CD1-CB 4Å; I54-N60 HydrophobicContact CG1-CB 4.09Å; I54-L69 HydrophobicContact CG2-CD1 3.93Å; I54-A75 HydrophobicContact CB-CB 3.84Å; I54-A75 HydrophobicContact CD1-CB 4.3Å; I54-A75 HydrophobicContact CG2-CB 3.66Å
55N98.7Very high96.8Very high59 Ų5953.7 Ų53.732%0.31629%0.288SS..Hα-helixtrans-72.3-17.9-178.4-71.6-25.6000114.1T51 E52 I53 A75T51-N55 WeakPolarHBondContact O-CB 3.42Å; T51-N55 VanDerWaalsContact O-CG 3.29Å; T51-N55 PolarHBondContact O-N 3.35Å; T51-N55 PolarHBondContact O-ND2 3.24Å; E52-N55 PolarHBondContact O-N 3.13Å; I53-N55 VanDerWaalsContact C-N 3.32Å; I53-N55 PolarHBondContact O-N 2.84Å; N55-A75 PolarHBondContact ND2-O 3.35Å; N55-A75 WeakPolarHBondContact OD1-CB 3.46Å; N55-A75 PolarHBondContact OD1-N 2.82Å
56T98.1Very high96.9Very high86 Ų8659.8 Ų59.853%0.52832%0.32SS..Hα-helixtrans-101-41.9-179.652.80000112.9R48 E52 I53 I54R48-T56 PolarHBondContact NH2-OG1 3.11Å; R48-T56 VanDerWaalsContact NH2-OG1 3.09Å; E52-T56 WeakPolarHBondContact O-CB 3.42Å; E52-T56 VanDerWaalsContact O-CG2 3.29Å; E52-T56 WeakPolarHBondContact O-CG2 3.47Å; E52-T56 PolarHBondContact O-N 3.09Å; E52-T56 VanDerWaalsContact O-N 3.07Å; E52-T56 PolarHBondContact O-OG1 2.94Å; I53-T56 PolarHBondContact O-N 3.03Å; I53-T56 VanDerWaalsContact O-N 3.13Å; I53-T56 PolarHBondContact O-OG1 3.07Å; I53-T56 VanDerWaalsContact O-OG1 3.14Å; I54-T56 VanDerWaalsContact C-N 3.27Å; I54-T56 PolarHBondContact O-N 3.07Å
57S97.3Very high97.1Very high37 Ų3752.7 Ų52.726%0.25928%0.283SS..Hα-helixtrans-97.6-7.1-178.971.50000113.5I53 E59 K68I53-S57 PolarHBondContact O-N 3.11Å; I53-S57 PolarHBondContact O-OG 2.97Å; S57-E59 PolarHBondContact O-N 2.57Å; S57-K68 PolarHBondContact O-NZ 2.8Å
58H98.2Very high97.3Very high44 Ų4455.3 Ų55.320%0.20428%0.275CS..SBendtrans50.245.4-172.3-64.2-67.8000112.3I54 K68 L69 E71I54-H58 WeakPolarHBondContact O-CA 3.32Å; I54-H58 PolarHBondContact O-N 2.84Å; H58-K68 CarbonylContact O-C 3.1Å; H58-K68 WeakPolarHBondContact O-CA 3.05Å; H58-L69 WeakPolarHBondContact CB-O 3.29Å; H58-L69 PolarHBondContact O-N 3.21Å; H58-E71 VanDerWaalsContact CE1-CA 3.47Å; H58-E71 WeakPolarHBondContact CE1-CA 3.38Å; H58-E71 PolarHBondContact CE1-O 3.13Å
59E98Very high97.4Very high29 Ų2950.9 Ų50.914%0.13626%0.258CS..  trans-150129.5-177.1-177176.5162.400111.1I54 S57 V61 N66 K68I54-E59 WeakPolarHBondContact CG1-O 3.32Å; S57-E59 PolarHBondContact O-N 2.57Å; E59-V61 VanDerWaalsContact C-N 3.31Å; E59-V61 HydrophobicContact CB-CG1 4.31Å; E59-V61 HydrophobicContact CG-CG1 3.89Å; E59-V61 PolarHBondContact O-N 2.91Å; E59-V61 VanDerWaalsContact O-N 3.12Å; E59-N66 PolarHBondContact OE1-N 2.63Å; E59-K68 HydrophobicContact CB-CD 4.42Å; E59-K68 IonicContact OE2-NZ 3.39Å; E59-K68 PolarHBondContact OE2-NZ 2.99Å
60N97.5Very high97.4Very high0 Ų045.9 Ų45.90%024%0.238CC..  trans-85.678.3169.9-171.7-20.7000109.6S11 S16 I54 K62 Y63 L64S11-N60 PolarHBondContact O-ND2 3.09Å; S16-N60 PolarHBondContact OG-ND2 2.98Å; I54-N60 HydrophobicContact CD1-CB 4Å; I54-N60 HydrophobicContact CG1-CB 4.09Å; N60-K62 PolarHBondContact O-N 2.69Å; N60-K62 PolarHBondContact OD1-N 2.87Å; N60-Y63 PolarHBondContact O-N 2.97Å; N60-Y63 PolarHBondContact OD1-N 2.81Å; N60-Y63 VanDerWaalsContact OD1-N 3.1Å; N60-L64 HydrophobicContact CB-CB 4.38Å; N60-L64 CarbonylContact O-C 3.43Å; N60-L64 WeakPolarHBondContact O-CA 3.41Å; N60-L64 PolarHBondContact O-N 3.06Å
61V96.1Very high97.3Very high52 Ų5253.1 Ų53.132%0.31527%0.272SS..THydrogen-bonded Turntrans-55.8-19.9-174.6-62.80000114.4V45 L50 I53 E59V45-V61 HydrophobicContact CG1-CG2 4.04Å; L50-V61 HydrophobicContact CD1-CG2 4.42Å; I53-V61 HydrophobicContact CD1-CG2 4.44Å; I53-V61 HydrophobicContact CG2-CG1 4.04Å; I53-V61 HydrophobicContact CG2-CG2 3.88Å; E59-V61 VanDerWaalsContact C-N 3.31Å; E59-V61 HydrophobicContact CB-CG1 4.31Å; E59-V61 HydrophobicContact CG-CG1 3.89Å; E59-V61 PolarHBondContact O-N 2.91Å; E59-V61 VanDerWaalsContact O-N 3.12Å
62K94.4Very high97.3Very high90 Ų9053.8 Ų53.839%0.39128%0.275SS..THydrogen-bonded Turntrans-88.7-48.9179.8-178.2172.2178.7178.80112.6E43 V45 L50 N60E43-K62 IonicContact OE1-NZ 2.73Å; E43-K62 PolarHBondContact OE1-NZ 3.35Å; E43-K62 IonicContact OE2-NZ 3.7Å; E43-K62 PolarHBondContact OE2-NZ 2.77Å; V45-K62 HydrophobicContact CG2-CB 4.32Å; V45-K62 HydrophobicContact CG2-CD 4.15Å; L50-K62 HydrophobicContact CD1-CB 4.38Å; N60-K62 PolarHBondContact O-N 2.69Å; N60-K62 PolarHBondContact OD1-N 2.87Å
63Y94Very high97.4Very high79 Ų7949.9 Ų49.931%0.3126%0.256SS..THydrogen-bonded Turntrans-105.9-18.6-170-63.2-70000114.2S11 N13 E43 L50 N60S11-Y63 WeakPolarHBondContact O-CD2 3.44Å; N13-Y63 VanDerWaalsContact CA-O 3.3Å; N13-Y63 WeakPolarHBondContact CA-O 3.28Å; N13-Y63 WeakPolarHBondContact CB-O 3.2Å; N13-Y63 VanDerWaalsContact CG-O 3.28Å; E43-Y63 WeakPolarHBondContact OE2-CE2 3.4Å; E43-Y63 PolarHBondContact OE2-OH 3.26Å; L50-Y63 HydrophobicContact CD2-CD2 4.26Å; L50-Y63 HydrophobicContact CD2-CE2 4.06Å; N60-Y63 PolarHBondContact O-N 2.97Å; N60-Y63 PolarHBondContact OD1-N 2.81Å; N60-Y63 VanDerWaalsContact OD1-N 3.1Å
64L95.6Very high97.4Very high5 Ų551.5 Ų51.53%0.02627%0.267CS..SBendtrans-145.662.7177.3-167.273.8000110.5N13 N60 V67N13-L64 WeakPolarHBondContact OD1-CD1 3.31Å; N60-L64 HydrophobicContact CB-CB 4.38Å; N60-L64 CarbonylContact O-C 3.43Å; N60-L64 WeakPolarHBondContact O-CA 3.41Å; N60-L64 PolarHBondContact O-N 3.06Å; L64-V67 HydrophobicContact CD1-CG2 4.32Å; L64-V67 HydrophobicContact CD2-CB 3.85Å; L64-V67 HydrophobicContact CD2-CG1 3.88Å; L64-V67 HydrophobicContact CD2-CG2 4.33Å; L64-V67 HydrophobicContact CG-CB 3.85Å; L64-V67 HydrophobicContact CG-CG1 4.41Å; L64-V67 HydrophobicContact CG-CG2 3.96Å
65P95.5Very high97.4Very high69 Ų6951.6 Ų51.645%0.44827%0.268SS..THydrogen-bonded Turntrans-64.5150.4-178.428-35.4000112V67P65-V67 PolarHBondContact O-N 2.84Å
66N96.2Very high97.4Very high151 Ų15150.3 Ų50.381%0.80726%0.261SS*.THydrogen-bonded Turntrans65.516.8178.4-47.5-62.9000115.1E59E59-N66 PolarHBondContact OE1-N 2.63Å
67V98Very high97.4Very high16 Ų1649.1 Ų49.110%0.09726%0.255CS..  trans-121.7123.6174.5-178.20000109.8K20 L64 P65K20-V67 HydrophobicContact CD-CG1 4.04Å; L64-V67 HydrophobicContact CD1-CG2 4.32Å; L64-V67 HydrophobicContact CD2-CB 3.85Å; L64-V67 HydrophobicContact CD2-CG1 3.88Å; L64-V67 HydrophobicContact CD2-CG2 4.33Å; L64-V67 HydrophobicContact CG-CB 3.85Å; L64-V67 HydrophobicContact CG-CG1 4.41Å; L64-V67 HydrophobicContact CG-CG2 3.96Å; P65-V67 PolarHBondContact O-N 2.84Å
68K98.1Very high97.5Very high123 Ų12351.1 Ų51.154%0.53526%0.263SS..PPolyproline II helixtrans-79.1126.6175.2-67.6-58.1-176.3-160.70111.6S57 H58 E59S57-K68 PolarHBondContact O-NZ 2.8Å; H58-K68 CarbonylContact O-C 3.1Å; H58-K68 WeakPolarHBondContact O-CA 3.05Å; E59-K68 HydrophobicContact CB-CD 4.42Å; E59-K68 IonicContact OE2-NZ 3.39Å; E59-K68 PolarHBondContact OE2-NZ 2.99Å
69L98.6Very high97.5Very high7 Ų749.1 Ų49.14%0.03725%0.253CS..PPolyproline II helixtrans-78.7148.8166.1-60.1-179.8000109.2S16 K20 M38 I54 H58 V73S16-L69 WeakPolarHBondContact O-CD2 3.14Å; K20-L69 HydrophobicContact CB-CD2 4Å; M38-L69 HydrophobicContact CE-CD1 4.04Å; I54-L69 HydrophobicContact CG2-CD1 3.93Å; H58-L69 WeakPolarHBondContact CB-O 3.29Å; H58-L69 PolarHBondContact O-N 3.21Å; L69-V73 HydrophobicContact CD1-CG1 4.39Å
70P98.4Very high97.5Very high10 Ų1051.8 Ų51.87%0.06527%0.265CS..PPolyproline II helixtrans-62.6145.2171.9-23.636.2000111.5K20 N24 N72 V73K20-P70 HydrophobicContact CG-CG 4.49Å; N24-P70 WeakPolarHBondContact OD1-CG 3.42Å; P70-N72 WeakPolarHBondContact CB-OD1 3.49Å; P70-N72 PolarHBondContact O-N 3.4Å; P70-V73 HydrophobicContact CB-CG2 4.31Å; P70-V73 HydrophobicContact CG-CG2 4.37Å; P70-V73 WeakPolarHBondContact O-CB 3.41Å; P70-V73 PolarHBondContact O-N 2.87Å
71E98Very high97.6Very high152 Ų15253.4 Ų53.471%0.7128%0.276SS*.THydrogen-bonded Turntrans-58.8-23.5-176.6-63.8-180172.200114.6H58 V73H58-E71 VanDerWaalsContact CE1-CA 3.47Å; H58-E71 WeakPolarHBondContact CE1-CA 3.38Å; H58-E71 PolarHBondContact CE1-O 3.13Å; E71-V73 VanDerWaalsContact C-N 3.3Å
72N98.5Very high97.7Very high24 Ų2451 Ų5113%0.12826%0.261CS..THydrogen-bonded Turntrans-84.2-0.6178.166.2-51.3000114G23 K27 P34 E35 V36 P70G23-N72 PolarHBondContact O-ND2 3.39Å; G23-N72 PolarHBondContact O-OD1 2.6Å; K27-N72 WeakPolarHBondContact CE-OD1 3.49Å; K27-N72 PolarHBondContact NZ-OD1 2.97Å; P34-N72 VanDerWaalsContact O-CB 3.22Å; P34-N72 WeakPolarHBondContact O-CB 3.32Å; P34-N72 PolarHBondContact O-ND2 3.31Å; E35-N72 WeakPolarHBondContact CA-O 3.27Å; V36-N72 PolarHBondContact N-O 3.11Å; P70-N72 WeakPolarHBondContact CB-OD1 3.49Å; P70-N72 PolarHBondContact O-N 3.4Å
73V98.8Very high97.9Very high0 Ų046.7 Ų46.70%024%0.242CC..EExtended strand (participates in β ladder)trans-86.8114168.4178.70000108.3A19 V36 M38 L69 P70 E71A19-V73 HydrophobicContact CB-CG1 3.85Å; A19-V73 HydrophobicContact CB-CG2 4.4Å; A19-V73 VanDerWaalsContact O-CG2 3.32Å; A19-V73 WeakPolarHBondContact O-CG2 3.32Å; V36-V73 HydrophobicContact CB-CG2 4.36Å; V36-V73 WeakPolarHBondContact O-CA 3.41Å; M38-V73 HydrophobicContact CB-CG1 4.17Å; M38-V73 HydrophobicContact CE-CG1 4.32Å; L69-V73 HydrophobicContact CD1-CG1 4.39Å; P70-V73 HydrophobicContact CB-CG2 4.31Å; P70-V73 HydrophobicContact CG-CG2 4.37Å; P70-V73 WeakPolarHBondContact O-CB 3.41Å; P70-V73 PolarHBondContact O-N 2.87Å; E71-V73 VanDerWaalsContact C-N 3.3Å
74V98.8Very high98.1Very high47 Ų4748.9 Ų48.929%0.28525%0.25SS..EExtended strand (participates in β ladder)trans-110.7117.5-176.8-178.80000109.5E35 V36 M38E35-V74 HydrophobicContact CG-CB 4.37Å; E35-V74 HydrophobicContact CG-CG2 3.91Å; V36-V74 PolarHBondContact O-N 3.32Å; M38-V74 PolarHBondContact N-O 2.76Å
75A98.8Very high98.1Very high4 Ų452.6 Ų52.63%0.03327%0.27CS..EExtended strand (participates in β ladder)trans-74132.5172.300000111.2M38 V40 T51 I54 N55M38-A75 WeakPolarHBondContact O-CA 3.4Å; V40-A75 HydrophobicContact CG2-CB 3.6Å; T51-A75 HydrophobicContact CG2-CB 4.29Å; I54-A75 HydrophobicContact CB-CB 3.84Å; I54-A75 HydrophobicContact CD1-CB 4.3Å; I54-A75 HydrophobicContact CG2-CB 3.66Å; N55-A75 PolarHBondContact ND2-O 3.35Å; N55-A75 WeakPolarHBondContact OD1-CB 3.46Å; N55-A75 PolarHBondContact OD1-N 2.82Å
76D98.7Very high98.2Very high31 Ų3149.3 Ų49.317%0.16625%0.249CC..EExtended strand (participates in β ladder)trans-139.3128.9179.2-180-16.5000109.4M38 W39 V40 D78 S81 V82M38-D76 PolarHBondContact O-N 2.95Å; W39-D76 WeakPolarHBondContact CA-O 3.01Å; V40-D76 PolarHBondContact N-O 2.93Å; D76-D78 VanDerWaalsContact C-N 3.34Å; D76-D78 PolarHBondContact OD1-N 2.96Å; D76-S81 WeakPolarHBondContact OD2-CB 3.35Å; D76-S81 PolarHBondContact OD2-OG 3.34Å; D76-V82 HydrophobicContact CB-CG2 3.53Å
77P98.2Very high98.3Very high62 Ų6243 Ų4340%0.40322%0.215SC..SBendtrans-76.4-18.9-178.931-33.6000114.1W39 V40 E42 T51W39-P77 PolarHBondContact NE1-O 2.81Å; V40-P77 WeakPolarHBondContact O-CA 3.48Å; E42-P77 HydrophobicContact CB-CB 3.95Å; E42-P77 HydrophobicContact CG-CB 4.48Å; T51-P77 HydrophobicContact CG2-CB 4Å; T51-P77 HydrophobicContact CG2-CG 4.25Å
78D98.5Very high98.4Very high78 Ų7842.2 Ų42.242%0.41721%0.21SC..  trans-91.8107.2-179.1179.46.9000110.8D76 K80 S81 V82D76-D78 VanDerWaalsContact C-N 3.34Å; D76-D78 PolarHBondContact OD1-N 2.96Å; D78-K80 PolarHBondContact O-N 3.45Å; D78-K80 WeakPolarHBondContact OD1-CB 3.39Å; D78-K80 PolarHBondContact OD1-N 3.37Å; D78-S81 WeakPolarHBondContact O-CB 3.5Å; D78-S81 PolarHBondContact O-N 3.02Å; D78-S81 VanDerWaalsContact O-N 3.09Å; D78-V82 WeakPolarHBondContact O-CG2 3.42Å; D78-V82 PolarHBondContact O-N 3.48Å
79V98.6Very high98.4Very high2 Ų236.3 Ų36.31%0.01219%0.185CC..Hα-helixtrans-59.6-30.9178.574.80000112.5I9 W39 V82 A83 T101 E104 M105I9-V79 HydrophobicContact CD1-CG2 4.49Å; I9-V79 HydrophobicContact CG2-CG2 3.98Å; W39-V79 HydrophobicContact CB-CG2 4.46Å; W39-V79 HydrophobicContact CD2-CB 4.05Å; W39-V79 HydrophobicContact CD2-CG2 3.86Å; W39-V79 HydrophobicContact CE3-CG2 4.34Å; W39-V79 HydrophobicContact CG-CB 3.97Å; W39-V79 HydrophobicContact CG-CG2 3.89Å; W39-V79 HydrophobicContact CZ2-CB 4.47Å; V79-V82 PolarHBondContact O-N 2.79Å; V79-A83 VanDerWaalsContact O-CB 3.23Å; V79-A83 WeakPolarHBondContact O-CB 3.35Å; V79-A83 PolarHBondContact O-N 3.28Å; V79-T101 HydrophobicContact CG2-CG2 3.91Å; V79-E104 HydrophobicContact CG1-CB 3.81Å; V79-M105 HydrophobicContact CG1-CG 4.35Å; V79-M105 HydrophobicContact CG2-CG 3.55Å; V79-M105 HydrophobicContact CG2-SD 3.9Å
80K98.5Very high98.4Very high86 Ų8636 Ų3637%0.37418%0.183SC..Hα-helixtrans-69.9-41.1177.4-66.2178.3-178.5175.10110.7D78 V82 R84 E104 V108D78-K80 PolarHBondContact O-N 3.45Å; D78-K80 WeakPolarHBondContact OD1-CB 3.39Å; D78-K80 PolarHBondContact OD1-N 3.37Å; K80-V82 VanDerWaalsContact C-N 3.33Å; K80-R84 VanDerWaalsContact O-CB 3.23Å; K80-R84 WeakPolarHBondContact O-CB 3.23Å; K80-R84 PolarHBondContact O-N 3.49Å; K80-E104 WeakPolarHBondContact CE-O 3.41Å; K80-E104 WeakPolarHBondContact CG-O 3.49Å; K80-V108 HydrophobicContact CB-CG1 4.34Å; K80-V108 HydrophobicContact CB-CG2 4.12Å; K80-V108 HydrophobicContact CG-CG2 4.4Å
81S98.5Very high98.4Very high34 Ų3435.5 Ų35.524%0.23818%0.18CC..Hα-helixtrans-60.6-43174.7177.20000111.8R37 D76 D78R37-S81 PolarHBondContact NH1-O 3Å; R37-S81 VanDerWaalsContact NH1-O 3.1Å; D76-S81 WeakPolarHBondContact OD2-CB 3.35Å; D76-S81 PolarHBondContact OD2-OG 3.34Å; D78-S81 WeakPolarHBondContact O-CB 3.5Å; D78-S81 PolarHBondContact O-N 3.02Å; D78-S81 VanDerWaalsContact O-N 3.09Å
82V98.7Very high98.4Very high0 Ų028.9 Ų28.90%015%0.149CC..Hα-helixtrans-67.9-43.9179176.50000112.2S7 I9 R37 W39 D76 D78 V79 K80S7-V82 WeakPolarHBondContact CB-O 3.43Å; S7-V82 PolarHBondContact OG-O 2.88Å; I9-V82 HydrophobicContact CD1-CB 4.38Å; I9-V82 HydrophobicContact CD1-CG1 3.62Å; R37-V82 HydrophobicContact CB-CB 4.42Å; R37-V82 HydrophobicContact CB-CG1 3.9Å; R37-V82 HydrophobicContact CB-CG2 4.37Å; W39-V82 HydrophobicContact CB-CB 4.17Å; W39-V82 HydrophobicContact CB-CG1 4.01Å; W39-V82 HydrophobicContact CB-CG2 3.95Å; D76-V82 HydrophobicContact CB-CG2 3.53Å; D78-V82 WeakPolarHBondContact O-CG2 3.42Å; D78-V82 PolarHBondContact O-N 3.48Å; V79-V82 PolarHBondContact O-N 2.79Å; K80-V82 VanDerWaalsContact C-N 3.33Å
83A98.7Very high98.1Very high0 Ų028.6 Ų28.60%015%0.148CC..Hα-helixtrans-76.6-24.9-177.100000113.2I9 V79 D85 A86 L89 M105 V108 V109I9-A83 HydrophobicContact CD1-CB 4.43Å; V79-A83 VanDerWaalsContact O-CB 3.23Å; V79-A83 WeakPolarHBondContact O-CB 3.35Å; V79-A83 PolarHBondContact O-N 3.28Å; A83-D85 PolarHBondContact O-N 3.16Å; A83-A86 WeakPolarHBondContact O-CB 3.47Å; A83-A86 PolarHBondContact O-N 3.35Å; A83-L89 HydrophobicContact CB-CD2 4.2Å; A83-M105 HydrophobicContact CB-CB 4.25Å; A83-M105 HydrophobicContact CB-CE 3.91Å; A83-M105 HydrophobicContact CB-CG 3.9Å; A83-V108 HydrophobicContact CB-CG2 4.1Å; A83-V109 HydrophobicContact CB-CG2 4.32Å
84R97.7Very high97.4Very high126 Ų12631.7 Ų31.748%0.47517%0.168SC..THydrogen-bonded Turntrans-59.6136177.5-172.5-172.7-60-100.6-0.1110.6K80 A86 V108K80-R84 VanDerWaalsContact O-CB 3.23Å; K80-R84 WeakPolarHBondContact O-CB 3.23Å; K80-R84 PolarHBondContact O-N 3.49Å; R84-A86 PolarHBondContact O-N 3.39Å; R84-V108 HydrophobicContact CB-CB 4.4Å
85D95.8Very high96.7Very high82 Ų8231 Ų3144%0.43916%0.162SC..THydrogen-bonded Turntrans62.5-1.2179.5-51.3-43.3000115.9A83 D87 K110A83-D85 PolarHBondContact O-N 3.16Å; D85-D87 PolarHBondContact O-N 3.23Å; D85-K110 VanDerWaalsContact O-CE 3.26Å; D85-K110 WeakPolarHBondContact O-CE 3.19Å; D85-K110 PolarHBondContact O-NZ 2.82Å
86A98.4Very high95.9Very high0 Ų035.9 Ų35.90%018%0.183CC..  trans-63.7128.8177.700000110.8S7 A83 R84 L89 K110 S113S7-A86 WeakPolarHBondContact OG-CB 3.42Å; A83-A86 WeakPolarHBondContact O-CB 3.47Å; A83-A86 PolarHBondContact O-N 3.35Å; R84-A86 PolarHBondContact O-N 3.39Å; A86-L89 HydrophobicContact CB-CD2 3.62Å; A86-L89 HydrophobicContact CB-CG 4.12Å; A86-K110 WeakPolarHBondContact O-CE 3.34Å; A86-S113 WeakPolarHBondContact O-CB 3.37Å; A86-S113 PolarHBondContact O-OG 2.86Å
87D98.6Very high95.4Very high18 Ų1839.6 Ų39.610%0.09620%0.198CC..SBendtrans-87.7-27.8170.5-64.3-76.6000111.9R4 R5 D85 K110 S113 Y114R4-D87 VanDerWaalsContact CA-OD2 3.28Å; R4-D87 WeakPolarHBondContact CA-OD2 3.32Å; R4-D87 HydrophobicContact CB-CB 4.31Å; R5-D87 PolarHBondContact N-OD2 3.11Å; R5-D87 PolarHBondContact O-N 3.03Å; D85-D87 PolarHBondContact O-N 3.23Å; D87-K110 IonicContact OD1-NZ 2.65Å; D87-K110 PolarHBondContact OD1-NZ 3.1Å; D87-K110 IonicContact OD2-NZ 3.13Å; D87-K110 PolarHBondContact OD2-NZ 2.75Å; D87-S113 WeakPolarHBondContact O-CA 3.49Å; D87-Y114 PolarHBondContact O-N 3.46Å; D87-Y114 VanDerWaalsContact O-N 3.11Å
88V98.8Very high95.2Very high0 Ų036.7 Ų36.70%018%0.18CC..EExtended strand (participates in β ladder)trans-128.6119.6178.2-171.80000108.9R5 V6 S7 I90 Y114 L178 L181R5-V88 PolarHBondContact O-N 2.76Å; R5-V88 VanDerWaalsContact O-N 3.17Å; V6-V88 HydrophobicContact CG1-CB 4.26Å; V6-V88 HydrophobicContact CG1-CG1 4.49Å; V6-V88 HydrophobicContact CG2-CB 4.26Å; V6-V88 HydrophobicContact CG2-CG2 4.44Å; S7-V88 PolarHBondContact N-O 3.12Å; V88-I90 HydrophobicContact CG1-CG1 4.47Å; V88-Y114 WeakPolarHBondContact CA-O 3.4Å; V88-Y114 HydrophobicContact CG1-CE2 3.95Å; V88-Y114 HydrophobicContact CG2-CD1 4.49Å; V88-Y114 HydrophobicContact CG2-CE1 3.65Å; V88-Y114 WeakPolarHBondContact CG2-OH 3.42Å; V88-L178 HydrophobicContact CG1-CD2 4.37Å; V88-L181 HydrophobicContact CB-CD1 4.4Å; V88-L181 HydrophobicContact CG1-CD1 3.98Å; V88-L181 HydrophobicContact CG2-CD1 4.22Å
89L98.9Very high95Very high0 Ų038.1 Ų38.10%019%0.187CC..EExtended strand (participates in β ladder)trans-106.4111.1177.9-69.2165.1000110I9 A83 A86 M105 V109 Y114 A115 I116 L141 I143I9-L89 HydrophobicContact CD1-CD2 4.11Å; I9-L89 HydrophobicContact CG1-CD2 4.17Å; A83-L89 HydrophobicContact CB-CD2 4.2Å; A86-L89 HydrophobicContact CB-CD2 3.62Å; A86-L89 HydrophobicContact CB-CG 4.12Å; L89-M105 HydrophobicContact CD1-CE 4.02Å; L89-M105 HydrophobicContact CD2-CE 3.95Å; L89-V109 HydrophobicContact CD1-CG1 3.91Å; L89-V109 HydrophobicContact CD1-CG2 3.85Å; L89-Y114 PolarHBondContact N-O 3.42Å; L89-A115 HydrophobicContact CB-CB 4.21Å; L89-A115 CarbonylContact O-C 3.3Å; L89-A115 WeakPolarHBondContact O-CA 3.16Å; L89-I116 PolarHBondContact O-N 2.96Å; L89-L141 HydrophobicContact CD1-CD1 4.45Å; L89-I143 HydrophobicContact CD1-CD1 3.85Å
90I98.9Very high94.8Very high0 Ų046.6 Ų46.60%022%0.219CC..EExtended strand (participates in β ladder)trans-93.4108.9176-59.5171.1000108.2V6 S7 V8 I9 I18 V22 V88 V92 I116 L118 F182V6-I90 HydrophobicContact CG1-CD1 3.81Å; V6-I90 HydrophobicContact CG1-CG1 4.4Å; S7-I90 PolarHBondContact O-N 3.17Å; V8-I90 CarbonylContact C-O 3.52Å; V8-I90 HydrophobicContact CG2-CB 4.35Å; V8-I90 HydrophobicContact CG2-CD1 4.2Å; I9-I90 PolarHBondContact N-O 2.91Å; I18-I90 HydrophobicContact CG2-CD1 4.29Å; I18-I90 HydrophobicContact CG2-CG2 3.92Å; V22-I90 HydrophobicContact CG1-CD1 4.41Å; V22-I90 HydrophobicContact CG2-CD1 3.72Å; V88-I90 HydrophobicContact CG1-CG1 4.47Å; I90-V92 HydrophobicContact CG2-CG1 4.46Å; I90-I116 HydrophobicContact CB-CG2 4.16Å; I90-I116 HydrophobicContact CG1-CG2 3.74Å; I90-I116 HydrophobicContact CG2-CG2 4.24Å; I90-L118 HydrophobicContact CG2-CD1 3.94Å; I90-L118 HydrophobicContact CG2-CD2 4.25Å; I90-F182 HydrophobicContact CD1-CE1 4.48Å; I90-F182 HydrophobicContact CD1-CE2 4.1Å; I90-F182 HydrophobicContact CD1-CZ 3.68Å; I90-F182 HydrophobicContact CG1-CE2 4.4Å; I90-F182 HydrophobicContact CG1-CZ 3.96Å; I90-F182 HydrophobicContact CG2-CZ 4.05Å
91I98.8Very high94.8Very high0 Ų042.9 Ų42.90%020%0.203CC..EExtended strand (participates in β ladder)trans-100.9114.7-173-57.3-179.5000109.1I9 M93 L98 L102 A115 I116 L118 M119 I137I9-I91 HydrophobicContact CB-CG1 4.49Å; I9-I91 HydrophobicContact CG1-CG1 4.49Å; I91-M93 HydrophobicContact CG2-CE 3.78Å; I91-L98 HydrophobicContact CG2-CD1 4.01Å; I91-L102 HydrophobicContact CD1-CD2 4.06Å; I91-A115 HydrophobicContact CD1-CB 3.99Å; I91-I116 PolarHBondContact N-O 2.8Å; I91-L118 PolarHBondContact O-N 3.4Å; I91-M119 HydrophobicContact CG2-CE 3.74Å; I91-M119 HydrophobicContact CG2-SD 4.01Å; I91-I137 HydrophobicContact CB-CD1 4.43Å; I91-I137 HydrophobicContact CD1-CD1 3.82Å; I91-I137 HydrophobicContact CD1-CG1 3.98Å; I91-I137 HydrophobicContact CD1-CG2 3.87Å; I91-I137 HydrophobicContact CG2-CD1 4.36Å
92V97.1Very high94.8Very high12 Ų1241.3 Ų41.37%0.07319%0.192CC..  trans-148.181.9-171.155.70000110.9V8 I9 G10 W14 G15 I90 L118V8-V92 HydrophobicContact CG1-CG1 3.72Å; I9-V92 PolarHBondContact O-N 3.06Å; G10-V92 WeakPolarHBondContact CA-O 3.35Å; W14-V92 HydrophobicContact CB-CG2 4.14Å; W14-V92 HydrophobicContact CG-CG2 4.19Å; G15-V92 VanDerWaalsContact CA-CG1 3.48Å; I90-V92 HydrophobicContact CG2-CG1 4.46Å; V92-L118 HydrophobicContact CB-CB 4.05Å; V92-L118 HydrophobicContact CG2-CB 4.04Å
93M92.3Very high94.7Very high19 Ų1944.2 Ų44.29%0.09422%0.216CC..SBendtrans-142.4165.6-179.968.5-168.371.700110.9I9 W39 I91 H95 F97 T101 M119I9-M93 HydrophobicContact CB-CE 4.14Å; I9-M93 HydrophobicContact CG2-CE 3.45Å; I9-M93 VanDerWaalsContact CG2-CE 3.45Å; I9-M93 WeakPolarHBondContact O-CE 3.47Å; W39-M93 HydrophobicContact CE3-CE 4.49Å; W39-M93 HydrophobicContact CZ3-CE 4.07Å; W39-M93 HydrophobicContact CZ3-SD 4.34Å; I91-M93 HydrophobicContact CG2-CE 3.78Å; M93-H95 PolarHBondContact O-N 2.84Å; M93-F97 HydrophobicContact SD-CB 4.27Å; M93-T101 HydrophobicContact CE-CG2 3.78Å; M93-T101 HydrophobicContact SD-CG2 4.03Å; M93-M119 HydrophobicContact CG-SD 3.86Å; M93-M119 VanDerWaalsContact O-CG 3.28Å; M93-M119 WeakPolarHBondContact O-CG 3.48Å
94P84.7Confident94.7Very high65 Ų6547.3 Ų47.342%0.42223%0.231SC..  trans-57.6129.8166-22.333.9000110.7Q96 F97P94-Q96 VanDerWaalsContact C-OE1 3.27Å; P94-Q96 VanDerWaalsContact CB-CD 3.4Å; P94-Q96 PolarHBondContact O-N 3.14Å; P94-Q96 VanDerWaalsContact O-N 3.08Å; P94-F97 HydrophobicContact CB-CD2 3.79Å; P94-F97 HydrophobicContact CB-CE2 3.92Å; P94-F97 HydrophobicContact CG-CD2 4.01Å; P94-F97 HydrophobicContact CG-CE2 3.99Å; P94-F97 PolarHBondContact O-N 3.09Å
95H83.4Confident94.7Very high33 Ų3341.4 Ų41.415%0.15321%0.208CC..G310 helixtrans-61.4-24-168.271.1-89.1000113.4M93 F97 L98 L133 Q300M93-H95 PolarHBondContact O-N 2.84Å; H95-F97 PolarHBondContact O-N 2.69Å; H95-F97 VanDerWaalsContact O-N 3.17Å; H95-L98 WeakPolarHBondContact O-CB 3.29Å; H95-L98 PolarHBondContact O-N 3Å; H95-L133 HydrophobicContact CB-CD1 3.87Å; H95-L133 HydrophobicContact CB-CD2 4.21Å; H95-Q300 PolarHBondContact CE1-OE1 2.87Å; H95-Q300 PolarHBondContact ND1-OE1 3.45Å
96Q81.6Confident94.9Very high105 Ų10543 Ų4349%0.49121%0.211SC..G310 helixtrans-62.3-21.5176.469.6-88.528.500113.9P94P94-Q96 VanDerWaalsContact C-OE1 3.27Å; P94-Q96 VanDerWaalsContact CB-CD 3.4Å; P94-Q96 PolarHBondContact O-N 3.14Å; P94-Q96 VanDerWaalsContact O-N 3.08Å
97F89.3Confident94.8Very high109 Ų10947.8 Ų47.848%0.47824%0.242SC..G310 helixtrans-91-11.1177.1-57.1-58.4000112.9M93 P94 H95 N99 R100 T101M93-F97 HydrophobicContact SD-CB 4.27Å; P94-F97 HydrophobicContact CB-CD2 3.79Å; P94-F97 HydrophobicContact CB-CE2 3.92Å; P94-F97 HydrophobicContact CG-CD2 4.01Å; P94-F97 HydrophobicContact CG-CE2 3.99Å; P94-F97 PolarHBondContact O-N 3.09Å; H95-F97 PolarHBondContact O-N 2.69Å; H95-F97 VanDerWaalsContact O-N 3.17Å; F97-N99 PolarHBondContact O-N 2.9Å; F97-R100 PolarHBondContact O-N 2.8Å; F97-T101 WeakPolarHBondContact O-CB 3.16Å; F97-T101 PolarHBondContact O-N 2.89Å; F97-T101 PolarHBondContact O-OG1 2.68Å; F97-T101 VanDerWaalsContact O-OG1 3.05Å
98L93.6Very high94.8Very high2 Ų248.2 Ų48.21%0.0125%0.246CC..Hα-helixtrans-55.7-56.6-169.7-17861000112.5I91 H95 R100 T101 L102 M119 L133 C136 I137I91-L98 HydrophobicContact CG2-CD1 4.01Å; H95-L98 WeakPolarHBondContact O-CB 3.29Å; H95-L98 PolarHBondContact O-N 3Å; L98-R100 VanDerWaalsContact C-N 3.33Å; L98-R100 PolarHBondContact O-N 3.33Å; L98-T101 PolarHBondContact O-N 2.91Å; L98-T101 VanDerWaalsContact O-N 3.12Å; L98-L102 HydrophobicContact CD1-CD1 3.71Å; L98-L102 HydrophobicContact CD1-CD2 3.99Å; L98-L102 HydrophobicContact CD1-CG 3.7Å; L98-L102 HydrophobicContact CD2-CD1 4.37Å; L98-L102 HydrophobicContact CG-CD1 3.71Å; L98-L102 HydrophobicContact CG-CG 4.09Å; L98-L102 VanDerWaalsContact O-CG 3.29Å; L98-L102 WeakPolarHBondContact O-CG 3.39Å; L98-L102 PolarHBondContact O-N 2.81Å; L98-M119 HydrophobicContact CD1-CE 3.59Å; L98-M119 HydrophobicContact CD1-SD 3.97Å; L98-M119 HydrophobicContact CD2-CE 3.74Å; L98-M119 HydrophobicContact CD2-SD 4.43Å; L98-M119 HydrophobicContact CG-CE 4.23Å; L98-L133 HydrophobicContact CD2-CB 4.19Å; L98-L133 HydrophobicContact CD2-CD2 3.91Å; L98-C136 HydrophobicContact CD2-CB 4.33Å; L98-I137 HydrophobicContact CD1-CG1 4.19Å
99N93.5Very high94.8Very high107 Ų10749 Ų4957%0.57225%0.251SS*.Hα-helixtrans-58.8-43.6-172.6-71.6-18.1000112.6F97 A103F97-N99 PolarHBondContact O-N 2.9Å; N99-A103 WeakPolarHBondContact O-CB 3.42Å; N99-A103 PolarHBondContact O-N 2.87Å; N99-A103 VanDerWaalsContact O-N 3.09Å
100R95.4Very high94.8Very high181 Ų18151.5 Ų51.568%0.68326%0.261SS*.Hα-helixtrans-64.2-48.1176.7178.5-178.7170175.30.5110.8F97 L98 L102 A103 E104F97-R100 PolarHBondContact O-N 2.8Å; L98-R100 VanDerWaalsContact C-N 3.33Å; L98-R100 PolarHBondContact O-N 3.33Å; R100-L102 PolarHBondContact O-N 3.32Å; R100-A103 PolarHBondContact O-N 3.05Å; R100-E104 IonicContact CZ-OE1 3.02Å; R100-E104 IonicContact NE-OE1 3.04Å; R100-E104 PolarHBondContact NE-OE1 3.29Å; R100-E104 IonicContact NH2-OE1 2.74Å; R100-E104 PolarHBondContact O-N 2.83Å
101T97.6Very high94.7Very high8 Ų857.3 Ų57.35%0.04930%0.299CS..Hα-helixtrans-62.8-42.2-178.5-600000111.8I9 W39 V79 M93 F97 L98 A103 E104 M105I9-T101 HydrophobicContact CG2-CG2 3.85Å; W39-T101 HydrophobicContact CE3-CG2 4.37Å; W39-T101 HydrophobicContact CH2-CG2 4.09Å; W39-T101 HydrophobicContact CZ3-CG2 3.88Å; V79-T101 HydrophobicContact CG2-CG2 3.91Å; M93-T101 HydrophobicContact CE-CG2 3.78Å; M93-T101 HydrophobicContact SD-CG2 4.03Å; F97-T101 WeakPolarHBondContact O-CB 3.16Å; F97-T101 PolarHBondContact O-N 2.89Å; F97-T101 PolarHBondContact O-OG1 2.68Å; F97-T101 VanDerWaalsContact O-OG1 3.05Å; L98-T101 PolarHBondContact O-N 2.91Å; L98-T101 VanDerWaalsContact O-N 3.12Å; T101-A103 PolarHBondContact O-N 2.89Å; T101-E104 PolarHBondContact O-N 2.82Å; T101-M105 HydrophobicContact CG2-SD 3.88Å; T101-M105 VanDerWaalsContact O-CG 3.28Å; T101-M105 WeakPolarHBondContact O-CG 3.32Å; T101-M105 PolarHBondContact O-N 2.96Å
102L98.3Very high94.6Very high1 Ų162.5 Ų62.51%0.00533%0.331CS..Hα-helixtrans-63-40.6175.5-63.8177.9000112.1I91 L98 R100 E104 M105 K106 I137 V140 L141I91-L102 HydrophobicContact CD1-CD2 4.06Å; L98-L102 HydrophobicContact CD1-CD1 3.71Å; L98-L102 HydrophobicContact CD1-CD2 3.99Å; L98-L102 HydrophobicContact CD1-CG 3.7Å; L98-L102 HydrophobicContact CD2-CD1 4.37Å; L98-L102 HydrophobicContact CG-CD1 3.71Å; L98-L102 HydrophobicContact CG-CG 4.09Å; L98-L102 VanDerWaalsContact O-CG 3.29Å; L98-L102 WeakPolarHBondContact O-CG 3.39Å; L98-L102 PolarHBondContact O-N 2.81Å; R100-L102 PolarHBondContact O-N 3.32Å; L102-E104 VanDerWaalsContact C-N 3.32Å; L102-E104 PolarHBondContact O-N 2.8Å; L102-M105 PolarHBondContact O-N 3.22Å; L102-K106 WeakPolarHBondContact O-CB 3.17Å; L102-K106 PolarHBondContact O-N 2.91Å; L102-I137 HydrophobicContact CD1-CG1 4Å; L102-I137 HydrophobicContact CD2-CG1 4.15Å; L102-V140 HydrophobicContact CB-CB 4.09Å; L102-V140 HydrophobicContact CB-CG1 3.63Å; L102-V140 HydrophobicContact CD1-CB 4.14Å; L102-V140 HydrophobicContact CD1-CG2 4.24Å; L102-L141 HydrophobicContact CB-CD2 4.42Å; L102-L141 HydrophobicContact CD2-CD1 3.74Å; L102-L141 HydrophobicContact CD2-CD2 4.36Å; L102-L141 HydrophobicContact CD2-CG 3.97Å
103A97.9Very high94.6Very high60 Ų6062 Ų6250%0.49633%0.328SS..Hα-helixtrans-62.7-38.5176.600000112.2N99 R100 T101N99-A103 WeakPolarHBondContact O-CB 3.42Å; N99-A103 PolarHBondContact O-N 2.87Å; N99-A103 VanDerWaalsContact O-N 3.09Å; R100-A103 PolarHBondContact O-N 3.05Å; T101-A103 PolarHBondContact O-N 2.89Å
104E98.2Very high94.9Very high66 Ų6661.3 Ų61.331%0.30833%0.325SS..Hα-helixtrans-68.8-37.7176-69.4-177.3-150.300112.2V79 K80 R100 T101 L102 P107V79-E104 HydrophobicContact CG1-CB 3.81Å; K80-E104 WeakPolarHBondContact CE-O 3.41Å; K80-E104 WeakPolarHBondContact CG-O 3.49Å; R100-E104 IonicContact CZ-OE1 3.02Å; R100-E104 IonicContact NE-OE1 3.04Å; R100-E104 PolarHBondContact NE-OE1 3.29Å; R100-E104 IonicContact NH2-OE1 2.74Å; R100-E104 PolarHBondContact O-N 2.83Å; T101-E104 PolarHBondContact O-N 2.82Å; L102-E104 VanDerWaalsContact C-N 3.32Å; L102-E104 PolarHBondContact O-N 2.8Å; E104-P107 WeakPolarHBondContact O-CD 3.48Å
105M98.4Very high95.6Very high1 Ų158.2 Ų58.21%0.00530%0.304CS..Hα-helixtrans-74.5-35.2178.7-70.5169.358.500113.7I9 V79 A83 L89 T101 L102 P107 V108 V109 L141I9-M105 HydrophobicContact CD1-CE 4.07Å; I9-M105 HydrophobicContact CD1-SD 4.32Å; I9-M105 HydrophobicContact CG1-CE 3.79Å; I9-M105 HydrophobicContact CG1-SD 4.1Å; I9-M105 HydrophobicContact CG2-SD 3.76Å; V79-M105 HydrophobicContact CG1-CG 4.35Å; V79-M105 HydrophobicContact CG2-CG 3.55Å; V79-M105 HydrophobicContact CG2-SD 3.9Å; A83-M105 HydrophobicContact CB-CB 4.25Å; A83-M105 HydrophobicContact CB-CE 3.91Å; A83-M105 HydrophobicContact CB-CG 3.9Å; L89-M105 HydrophobicContact CD1-CE 4.02Å; L89-M105 HydrophobicContact CD2-CE 3.95Å; T101-M105 HydrophobicContact CG2-SD 3.88Å; T101-M105 VanDerWaalsContact O-CG 3.28Å; T101-M105 WeakPolarHBondContact O-CG 3.32Å; T101-M105 PolarHBondContact O-N 2.96Å; L102-M105 PolarHBondContact O-N 3.22Å; M105-P107 VanDerWaalsContact C-N 3.31Å; M105-P107 WeakPolarHBondContact O-CD 3.36Å; M105-V108 WeakPolarHBondContact O-CG2 3.43Å; M105-V108 PolarHBondContact O-N 3.36Å; M105-V109 HydrophobicContact CB-CG2 4.06Å; M105-V109 HydrophobicContact CE-CG2 4.24Å; M105-V109 WeakPolarHBondContact O-CG2 3.38Å; M105-V109 PolarHBondContact O-N 2.96Å; M105-L141 HydrophobicContact CB-CD2 4.35Å; M105-L141 HydrophobicContact CE-CD1 4.28Å
106K98.3Very high96.4Very high115 Ų11556.6 Ų56.650%0.530%0.297SS..THydrogen-bonded Turntrans-44.6-43.4-171.7-177.1177.2-173.6161.60114.9L102 V108 V140 L141L102-K106 WeakPolarHBondContact O-CB 3.17Å; L102-K106 PolarHBondContact O-N 2.91Å; K106-V108 PolarHBondContact O-N 3.25Å; K106-V140 HydrophobicContact CD-CG1 4.3Å; K106-V140 WeakPolarHBondContact CD-O 3.49Å; K106-V140 WeakPolarHBondContact CE-O 3.24Å; K106-V140 PolarHBondContact NZ-O 3.32Å; K106-L141 HydrophobicContact CB-CD2 4.08Å
107P98.1Very high97.2Very high101 Ų10151.6 Ų51.666%0.65627%0.274SS*.THydrogen-bonded Turntrans-68.4-15.4-177.5-21.134.8000115.4E104 M105E104-P107 WeakPolarHBondContact O-CD 3.48Å; M105-P107 VanDerWaalsContact C-N 3.31Å; M105-P107 WeakPolarHBondContact O-CD 3.36Å
108V98.4Very high97.6Very high27 Ų2746.7 Ų46.716%0.16425%0.252CS..THydrogen-bonded Turntrans-119.3-9.4-172.7-61.60000114.2K80 A83 R84 M105 K106K80-V108 HydrophobicContact CB-CG1 4.34Å; K80-V108 HydrophobicContact CB-CG2 4.12Å; K80-V108 HydrophobicContact CG-CG2 4.4Å; A83-V108 HydrophobicContact CB-CG2 4.1Å; R84-V108 HydrophobicContact CB-CB 4.4Å; M105-V108 WeakPolarHBondContact O-CG2 3.43Å; M105-V108 PolarHBondContact O-N 3.36Å; K106-V108 PolarHBondContact O-N 3.25Å
109V98.6Very high97.6Very high18 Ų1846.9 Ų46.911%0.10925%0.253CS..SBendtrans-70.7131.5177.4169.70000109.6A83 L89 M105 L141 I143A83-V109 HydrophobicContact CB-CG2 4.32Å; L89-V109 HydrophobicContact CD1-CG1 3.91Å; L89-V109 HydrophobicContact CD1-CG2 3.85Å; M105-V109 HydrophobicContact CB-CG2 4.06Å; M105-V109 HydrophobicContact CE-CG2 4.24Å; M105-V109 WeakPolarHBondContact O-CG2 3.38Å; M105-V109 PolarHBondContact O-N 2.96Å; V109-L141 HydrophobicContact CG2-CD1 4.41Å; V109-L141 HydrophobicContact CG2-CD2 4.23Å; V109-I143 HydrophobicContact CG1-CD1 3.98Å; V109-I143 HydrophobicContact CG1-CG2 4.16Å
110K97.7Very high97.5Very high51 Ų5143.9 Ų43.922%0.22224%0.235CC..  trans-71.9140.2178-55.5-179-66.2-168.50109.4D85 A86 D87 T112 S113D85-K110 VanDerWaalsContact O-CE 3.26Å; D85-K110 WeakPolarHBondContact O-CE 3.19Å; D85-K110 PolarHBondContact O-NZ 2.82Å; A86-K110 WeakPolarHBondContact O-CE 3.34Å; D87-K110 IonicContact OD1-NZ 2.65Å; D87-K110 PolarHBondContact OD1-NZ 3.1Å; D87-K110 IonicContact OD2-NZ 3.13Å; D87-K110 PolarHBondContact OD2-NZ 2.75Å; K110-T112 PolarHBondContact O-N 2.82Å; K110-T112 VanDerWaalsContact O-N 3.07Å; K110-S113 WeakPolarHBondContact CB-OG 3.28Å; K110-S113 VanDerWaalsContact O-CB 3.32Å; K110-S113 WeakPolarHBondContact O-CB 3.37Å; K110-S113 PolarHBondContact O-N 3.19Å; K110-S113 PolarHBondContact O-OG 2.91Å; K110-S113 VanDerWaalsContact O-OG 3.11Å
111P96.7Very high97.2Very high123 Ų12335.3 Ų35.380%0.79920%0.203SC*.THydrogen-bonded Turntrans-60.2-20173-24.634.2000114
112T97.1Very high96.9Very high109 Ų10934.9 Ų34.967%0.66920%0.2SC*.THydrogen-bonded Turntrans-89-4.6178.459.30000113.9K110K110-T112 PolarHBondContact O-N 2.82Å; K110-T112 VanDerWaalsContact O-N 3.07Å
113S98.4Very high96.4Very high2 Ų235.8 Ų35.81%0.01421%0.208CC..  trans-71.6165.6178.2-54.10000111A86 D87 K110 I143A86-S113 WeakPolarHBondContact O-CB 3.37Å; A86-S113 PolarHBondContact O-OG 2.86Å; D87-S113 WeakPolarHBondContact O-CA 3.49Å; K110-S113 WeakPolarHBondContact CB-OG 3.28Å; K110-S113 VanDerWaalsContact O-CB 3.32Å; K110-S113 WeakPolarHBondContact O-CB 3.37Å; K110-S113 PolarHBondContact O-N 3.19Å; K110-S113 PolarHBondContact O-OG 2.91Å; K110-S113 VanDerWaalsContact O-OG 3.11Å; S113-I143 WeakPolarHBondContact O-CB 3.49Å; S113-I143 WeakPolarHBondContact O-CG2 3.49Å
114Y98.7Very high95.6Very high3 Ų336.8 Ų36.81%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-136.4159.5160.372.6-88.3000109.9D87 V88 L89 P144 M174 E177 L178D87-Y114 PolarHBondContact O-N 3.46Å; D87-Y114 VanDerWaalsContact O-N 3.11Å; V88-Y114 WeakPolarHBondContact CA-O 3.4Å; V88-Y114 HydrophobicContact CG1-CE2 3.95Å; V88-Y114 HydrophobicContact CG2-CD1 4.49Å; V88-Y114 HydrophobicContact CG2-CE1 3.65Å; V88-Y114 WeakPolarHBondContact CG2-OH 3.42Å; L89-Y114 PolarHBondContact N-O 3.42Å; Y114-P144 CarbonylContact C-O 3.58Å; Y114-P144 WeakPolarHBondContact CA-O 3.23Å; Y114-P144 WeakPolarHBondContact CB-O 3.33Å; Y114-M174 HydrophobicContact CD1-CE 4.07Å; Y114-M174 HydrophobicContact CD1-CG 4.12Å; Y114-M174 HydrophobicContact CD1-SD 4.26Å; Y114-M174 HydrophobicContact CD2-CG 4.35Å; Y114-M174 HydrophobicContact CD2-SD 4.1Å; Y114-M174 HydrophobicContact CE1-CG 4.19Å; Y114-M174 HydrophobicContact CE2-CB 4.32Å; Y114-M174 HydrophobicContact CE2-CG 4.44Å; Y114-M174 HydrophobicContact CG-CE 3.99Å; Y114-M174 HydrophobicContact CG-CG 4.2Å; Y114-M174 HydrophobicContact CG-SD 3.85Å; Y114-E177 WeakPolarHBondContact CE1-OE2 3.2Å; Y114-E177 VanDerWaalsContact OH-CD 3.27Å; Y114-E177 WeakPolarHBondContact OH-CG 3.14Å; Y114-E177 PolarHBondContact OH-OE2 3.38Å; Y114-E177 VanDerWaalsContact OH-OE2 3.12Å; Y114-L178 HydrophobicContact CE2-CD1 3.95Å; Y114-L178 HydrophobicContact CE2-CD2 3.81Å; Y114-L178 HydrophobicContact CE2-CG 3.83Å
115A98.9Very high94.7Very high0 Ų035 Ų350%020%0.199CC..EExtended strand (participates in β ladder)trans-109.7161.4179.300000111.8L89 I91 I137 I143 P144 C145 A146L89-A115 HydrophobicContact CB-CB 4.21Å; L89-A115 CarbonylContact O-C 3.3Å; L89-A115 WeakPolarHBondContact O-CA 3.16Å; I91-A115 HydrophobicContact CD1-CB 3.99Å; A115-I137 HydrophobicContact CB-CG2 3.85Å; A115-I143 HydrophobicContact CB-CD1 3.99Å; A115-P144 PolarHBondContact N-O 3.31Å; A115-C145 HydrophobicContact CB-CB 4.27Å; A115-C145 CarbonylContact O-C 3.59Å; A115-C145 VanDerWaalsContact O-CA 3.29Å; A115-C145 WeakPolarHBondContact O-CA 3.35Å; A115-A146 PolarHBondContact O-N 2.9Å
116I98.9Very high93.6Very high0 Ų043 Ų430%024%0.242CC..EExtended strand (participates in β ladder)trans-133126.6160.3-174.2174.9000109.1L89 I90 I91 L118 A146 L148 I167 L178 F182L89-I116 PolarHBondContact O-N 2.96Å; I90-I116 HydrophobicContact CB-CG2 4.16Å; I90-I116 HydrophobicContact CG1-CG2 3.74Å; I90-I116 HydrophobicContact CG2-CG2 4.24Å; I91-I116 PolarHBondContact N-O 2.8Å; I116-L118 HydrophobicContact CB-CD1 4.46Å; I116-L118 HydrophobicContact CD1-CD1 4.22Å; I116-L118 HydrophobicContact CG1-CD1 3.9Å; I116-L118 HydrophobicContact CG2-CD1 4.04Å; I116-A146 CarbonylContact C-O 3.54Å; I116-A146 VanDerWaalsContact CA-O 3.29Å; I116-A146 WeakPolarHBondContact CA-O 3.48Å; I116-A146 HydrophobicContact CB-CB 4.1Å; I116-A146 HydrophobicContact CD1-CB 4.27Å; I116-A146 HydrophobicContact CG1-CB 3.86Å; I116-L148 HydrophobicContact CD1-CB 3.76Å; I116-L148 HydrophobicContact CG1-CB 4.35Å; I116-I167 HydrophobicContact CD1-CD1 4.08Å; I116-I167 HydrophobicContact CD1-CG1 4.31Å; I116-I167 HydrophobicContact CD1-CG2 4.23Å; I116-L178 HydrophobicContact CB-CD2 4.05Å; I116-L178 HydrophobicContact CD1-CD1 3.95Å; I116-L178 HydrophobicContact CD1-CD2 3.83Å; I116-L178 HydrophobicContact CD1-CG 4.39Å; I116-L178 HydrophobicContact CG2-CD2 3.87Å; I116-F182 HydrophobicContact CD1-CE2 4.14Å; I116-F182 HydrophobicContact CD1-CZ 4.32Å; I116-F182 HydrophobicContact CG2-CE2 4.12Å; I116-F182 HydrophobicContact CG2-CZ 4.01Å
117S98.7Very high92.7Very high0 Ų041.7 Ų41.70%024%0.241CC..EExtended strand (participates in β ladder)trans-89.3130.5174.9-179.20000110.6M119 A146 V147 L148S117-M119 VanDerWaalsContact OG-CE 3.26Å; S117-M119 WeakPolarHBondContact OG-CE 3.38Å; S117-M119 PolarHBondContact OG-N 2.73Å; S117-A146 PolarHBondContact N-O 3.08Å; S117-V147 CarbonylContact O-C 3.58Å; S117-V147 WeakPolarHBondContact O-CA 3.35Å; S117-V147 WeakPolarHBondContact O-CG2 3.4Å; S117-L148 PolarHBondContact O-N 2.86Å
118L98Very high91.4Very high5 Ų542.6 Ų42.63%0.02624%0.236CC..  trans-111.114.4171-79.365.1000111.2I18 I90 I91 V92 I116 L148 F182I18-L118 HydrophobicContact CB-CD2 4.39Å; I18-L118 HydrophobicContact CD1-CD2 3.8Å; I18-L118 HydrophobicContact CG1-CD2 3.59Å; I18-L118 HydrophobicContact CG2-CD2 4.19Å; I90-L118 HydrophobicContact CG2-CD1 3.94Å; I90-L118 HydrophobicContact CG2-CD2 4.25Å; I91-L118 PolarHBondContact O-N 3.4Å; V92-L118 HydrophobicContact CB-CB 4.05Å; V92-L118 HydrophobicContact CG2-CB 4.04Å; I116-L118 HydrophobicContact CB-CD1 4.46Å; I116-L118 HydrophobicContact CD1-CD1 4.22Å; I116-L118 HydrophobicContact CG1-CD1 3.9Å; I116-L118 HydrophobicContact CG2-CD1 4.04Å; L118-L148 HydrophobicContact CD1-CB 3.96Å; L118-L148 HydrophobicContact CD2-CD2 4.45Å; L118-L148 HydrophobicContact CG-CB 3.97Å; L118-L148 HydrophobicContact CG-CD2 4.18Å; L118-L148 HydrophobicContact CG-CG 4.49Å; L118-F182 HydrophobicContact CD1-CE1 4.47Å; L118-F182 HydrophobicContact CD1-CZ 4.25Å; L118-F182 HydrophobicContact CD2-CE1 4.01Å
119M94.4Very high90.6Very high6 Ų641.8 Ų41.83%0.0323%0.233CC..  trans-86.4129.9-175.2-58.9179.4-69.400110.5I91 M93 L98 S117 L133 I137 M149I91-M119 HydrophobicContact CG2-CE 3.74Å; I91-M119 HydrophobicContact CG2-SD 4.01Å; M93-M119 HydrophobicContact CG-SD 3.86Å; M93-M119 VanDerWaalsContact O-CG 3.28Å; M93-M119 WeakPolarHBondContact O-CG 3.48Å; L98-M119 HydrophobicContact CD1-CE 3.59Å; L98-M119 HydrophobicContact CD1-SD 3.97Å; L98-M119 HydrophobicContact CD2-CE 3.74Å; L98-M119 HydrophobicContact CD2-SD 4.43Å; L98-M119 HydrophobicContact CG-CE 4.23Å; S117-M119 VanDerWaalsContact OG-CE 3.26Å; S117-M119 WeakPolarHBondContact OG-CE 3.38Å; S117-M119 PolarHBondContact OG-N 2.73Å; M119-L133 HydrophobicContact CB-CD1 3.63Å; M119-L133 HydrophobicContact CE-CB 4.09Å; M119-L133 HydrophobicContact CE-CD1 4.21Å; M119-I137 HydrophobicContact CE-CD1 3.83Å; M119-M149 WeakPolarHBondContact O-CE 3.48Å
120K90.2Very high90.2Very high45 Ų4541.7 Ų41.720%0.19623%0.232CC..  trans-101.292.5-178.6-58.8-171.5179.1-165.90110.5M149 G150 D262K120-M149 HydrophobicContact CD-SD 4.45Å; K120-M149 HydrophobicContact CG-CE 4.47Å; K120-M149 HydrophobicContact CG-SD 3.71Å; K120-G150 PolarHBondContact NZ-O 2.65Å; K120-D262 IonicContact NZ-OD1 3.9Å; K120-D262 PolarHBondContact NZ-OD1 3.41Å; K120-D262 IonicContact NZ-OD2 2.94Å; K120-D262 PolarHBondContact NZ-OD2 3.12Å
121G89.6Confident90Very high0 Ų042.2 Ų42.20%023%0.234CC..  trans176.6-174.4-178.300000111.7
122L91.1Very high89.9Confident0 Ų036.3 Ų36.30%020%0.196CC..  trans-128.7173.1176.8-57168.7000108.7I130 L132 L200 A203 L204 T304 E307 V308L122-I130 HydrophobicContact CB-CG2 4.1Å; L122-I130 HydrophobicContact CD1-CD1 3.88Å; L122-I130 HydrophobicContact CD1-CG2 3.77Å; L122-I130 HydrophobicContact CD2-CG2 3.87Å; L122-I130 HydrophobicContact CG-CG2 4.1Å; L122-L132 HydrophobicContact CD2-CD2 4.22Å; L122-L200 HydrophobicContact CD2-CD2 3.72Å; L122-A203 HydrophobicContact CD1-CB 4.36Å; L122-A203 HydrophobicContact CD2-CB 3.83Å; L122-A203 HydrophobicContact CG-CB 3.8Å; L122-L204 HydrophobicContact CD1-CD2 4.42Å; L122-T304 HydrophobicContact CD1-CG2 3.76Å; L122-T304 HydrophobicContact CG-CG2 4.24Å; L122-E307 WeakPolarHBondContact CB-OE2 3.38Å; L122-V308 HydrophobicContact CD1-CG2 4.24Å
123A87.8Confident89.9Confident19 Ų1931.2 Ų31.216%0.15716%0.164CC..EExtended strand (participates in β ladder)trans-123.9152.8165.700000109.2K131 L133A123-K131 HydrophobicContact CB-CB 4.45Å; A123-K131 PolarHBondContact N-O 3.24Å; A123-K131 PolarHBondContact O-N 2.89Å; A123-L133 HydrophobicContact CB-CD2 4.01Å
124L81.2Confident89.9Confident81 Ų8131.1 Ų31.142%0.42416%0.164SC..EExtended strand (participates in β ladder)trans-83.6132.2165.2-70.8171.9000110.1G129 E307L124-G129 WeakPolarHBondContact CA-O 3.29Å; L124-E307 HydrophobicContact CD1-CG 4.17Å; L124-E307 HydrophobicContact CD2-CB 3.88Å; L124-E307 HydrophobicContact CD2-CG 4.06Å; L124-E307 HydrophobicContact CG-CB 4.22Å; L124-E307 HydrophobicContact CG-CG 3.81Å
125S78.7Confident89.8Confident29 Ų2932.4 Ų32.420%0.20317%0.171CC..  trans-76.3163.316253.30000110.6D127 H128 G129S125-D127 WeakPolarHBondContact CB-OD1 3.44Å; S125-D127 PolarHBondContact O-N 2.79Å; S125-D127 VanDerWaalsContact O-N 3.1Å; S125-D127 PolarHBondContact OG-OD1 3.18Å; S125-H128 WeakPolarHBondContact O-CA 3.38Å; S125-H128 PolarHBondContact O-N 2.99Å; S125-G129 PolarHBondContact N-O 3.46Å; S125-G129 VanDerWaalsContact OG-C 3.23Å; S125-G129 WeakPolarHBondContact OG-CA 3.44Å; S125-G129 PolarHBondContact OG-N 3.33Å; S125-G129 PolarHBondContact OG-O 3.41Å
126D76.8Confident89.6Confident170 Ų17032.9 Ų32.991%0.90917%0.174SC*.THydrogen-bonded Turntrans-58.9-24179.9-61.6-32.9000113H128D126-H128 VanDerWaalsContact C-N 3.3Å
127D78.6Confident89.6Confident87 Ų8732.9 Ų32.947%0.46517%0.174SC..THydrogen-bonded Turntrans-90.315.2175.680.9-44.5000113.4S125 G129 R314S125-D127 WeakPolarHBondContact CB-OD1 3.44Å; S125-D127 PolarHBondContact O-N 2.79Å; S125-D127 VanDerWaalsContact O-N 3.1Å; S125-D127 PolarHBondContact OG-OD1 3.18Å; D127-G129 PolarHBondContact O-N 2.94Å; D127-G129 PolarHBondContact OD1-N 2.81Å; D127-R314 PolarHBondContact O-NH1 3.33Å; D127-R314 IonicContact OD2-NH1 3.69Å; D127-R314 PolarHBondContact OD2-NH1 3.12Å
128H70.9Confident89.6Confident120 Ų12035.5 Ų35.556%0.55618%0.184SC*.SBendtrans5921.4-173.2-54.5-76.1000114.1S125 D126S125-H128 WeakPolarHBondContact O-CA 3.38Å; S125-H128 PolarHBondContact O-N 2.99Å; D126-H128 VanDerWaalsContact C-N 3.3Å
129G82Confident89.5Confident10 Ų1039.9 Ų39.910%0.10321%0.207CC..  trans-75.8165.6164.900000111.3L124 S125 D127L124-G129 WeakPolarHBondContact CA-O 3.29Å; S125-G129 PolarHBondContact N-O 3.46Å; S125-G129 VanDerWaalsContact OG-C 3.23Å; S125-G129 WeakPolarHBondContact OG-CA 3.44Å; S125-G129 PolarHBondContact OG-N 3.33Å; S125-G129 PolarHBondContact OG-O 3.41Å; D127-G129 PolarHBondContact O-N 2.94Å; D127-G129 PolarHBondContact OD1-N 2.81Å
130I90.1Very high89.6Confident16 Ų1641.4 Ų41.48%0.08222%0.217CC..EExtended strand (participates in β ladder)trans-86.8130.7169.9-69-178000108.7L122 F239 F244 V308 M311L122-I130 HydrophobicContact CB-CG2 4.1Å; L122-I130 HydrophobicContact CD1-CD1 3.88Å; L122-I130 HydrophobicContact CD1-CG2 3.77Å; L122-I130 HydrophobicContact CD2-CG2 3.87Å; L122-I130 HydrophobicContact CG-CG2 4.1Å; I130-F239 HydrophobicContact CD1-CE1 3.97Å; I130-F239 HydrophobicContact CD1-CE2 4.4Å; I130-F239 HydrophobicContact CD1-CZ 3.41Å; I130-F239 VanDerWaalsContact CD1-CZ 3.41Å; I130-F244 HydrophobicContact CB-CZ 4.49Å; I130-F244 HydrophobicContact CG2-CZ 4.13Å; I130-V308 HydrophobicContact CD1-CB 4.45Å; I130-V308 HydrophobicContact CD1-CG2 3.76Å; I130-M311 HydrophobicContact CB-SD 3.91Å; I130-M311 HydrophobicContact CD1-CB 4.3Å; I130-M311 HydrophobicContact CD1-SD 3.71Å; I130-M311 HydrophobicContact CG1-CB 4.22Å; I130-M311 HydrophobicContact CG1-SD 3.66Å
131K92.8Very high90Very high61 Ų6139.9 Ų39.927%0.26521%0.211SC..EExtended strand (participates in β ladder)trans-116.6135.8171.7-168.4170.3-179.4176.20110A123 D135 C136 D139A123-K131 HydrophobicContact CB-CB 4.45Å; A123-K131 PolarHBondContact N-O 3.24Å; A123-K131 PolarHBondContact O-N 2.89Å; K131-D135 HydrophobicContact CG-CB 4.36Å; K131-C136 VanDerWaalsContact CD-SG 3.56Å; K131-D139 WeakPolarHBondContact CE-OD2 3.37Å; K131-D139 IonicContact NZ-OD2 3.57Å; K131-D139 PolarHBondContact NZ-OD2 2.81Å
132L95.7Very high90.4Very high0 Ų044.5 Ų44.50%024%0.243CC..  trans-70.6145.3174.3-58.7-178.8000110.2L122 T134 D135 C136 V196 E199 L200 F244L122-L132 HydrophobicContact CD2-CD2 4.22Å; L132-T134 VanDerWaalsContact C-N 3.27Å; L132-T134 PolarHBondContact O-N 3.23Å; L132-D135 HydrophobicContact CB-CB 4.14Å; L132-D135 PolarHBondContact O-N 3.16Å; L132-C136 PolarHBondContact O-N 3.4Å; L132-C136 PolarHBondContact O-SG 2.92Å; L132-V196 HydrophobicContact CD1-CB 4.25Å; L132-V196 HydrophobicContact CD1-CG1 4.02Å; L132-V196 HydrophobicContact CD1-CG2 3.77Å; L132-E199 HydrophobicContact CD2-CG 4.39Å; L132-L200 HydrophobicContact CD2-CD1 4.25Å; L132-L200 HydrophobicContact CD2-CD2 3.82Å; L132-L200 HydrophobicContact CD2-CG 3.77Å; L132-F244 HydrophobicContact CD1-CE1 4.46Å; L132-F244 HydrophobicContact CD2-CE1 4.3Å; L132-F244 HydrophobicContact CD2-CZ 4.39Å; L132-F244 HydrophobicContact CG-CE1 4.22Å
133L95.9Very high90.8Very high2 Ų244.8 Ų44.81%0.0124%0.244CC..Hα-helixtrans-68.4-32.8177.5-59.9-179.7000110.7H95 L98 M119 A123 D135 C136 I137 E199H95-L133 HydrophobicContact CB-CD1 3.87Å; H95-L133 HydrophobicContact CB-CD2 4.21Å; L98-L133 HydrophobicContact CD2-CB 4.19Å; L98-L133 HydrophobicContact CD2-CD2 3.91Å; M119-L133 HydrophobicContact CB-CD1 3.63Å; M119-L133 HydrophobicContact CE-CB 4.09Å; M119-L133 HydrophobicContact CE-CD1 4.21Å; A123-L133 HydrophobicContact CB-CD2 4.01Å; L133-D135 VanDerWaalsContact C-N 3.35Å; L133-C136 WeakPolarHBondContact O-CB 3.47Å; L133-C136 PolarHBondContact O-N 3.09Å; L133-I137 WeakPolarHBondContact O-CD1 3.48Å; L133-I137 VanDerWaalsContact O-CG1 3.28Å; L133-I137 WeakPolarHBondContact O-CG1 3.16Å; L133-I137 PolarHBondContact O-N 2.85Å; L133-E199 WeakPolarHBondContact CA-OE1 3.48Å; L133-E199 WeakPolarHBondContact CB-OE1 3.33Å; L133-E199 PolarHBondContact N-OE1 3.41Å
134T98.1Very high91.3Very high0 Ų046.7 Ų46.70%026%0.255CS..Hα-helixtrans-61.1-41.5170.755.60000112.3L132 I137 R138 V147 E195 E199L132-T134 VanDerWaalsContact C-N 3.27Å; L132-T134 PolarHBondContact O-N 3.23Å; T134-I137 WeakPolarHBondContact O-CB 3.29Å; T134-I137 PolarHBondContact O-N 3.05Å; T134-R138 WeakPolarHBondContact O-CG 3.39Å; T134-R138 PolarHBondContact O-N 3.33Å; T134-R138 PolarHBondContact OG1-NH1 3.41Å; T134-V147 HydrophobicContact CG2-CB 3.93Å; T134-V147 HydrophobicContact CG2-CG2 4.26Å; T134-E195 WeakPolarHBondContact CB-OE1 3.17Å; T134-E195 PolarHBondContact OG1-OE1 3.2Å; T134-E199 VanDerWaalsContact CB-OE2 3.31Å; T134-E199 WeakPolarHBondContact CB-OE2 3.42Å; T134-E199 WeakPolarHBondContact CG2-OE2 3.48Å; T134-E199 PolarHBondContact N-OE1 3.47Å; T134-E199 VanDerWaalsContact N-OE1 3.11Å; T134-E199 PolarHBondContact OG1-OE2 3.2Å
135D96.8Very high92.1Very high29 Ų2942.9 Ų42.916%0.15524%0.235CC..Hα-helixtrans-66.2-39.6175.7-70.6-18.3000110.9K131 L132 L133 I137 R138 D139 R247K131-D135 HydrophobicContact CG-CB 4.36Å; L132-D135 HydrophobicContact CB-CB 4.14Å; L132-D135 PolarHBondContact O-N 3.16Å; L133-D135 VanDerWaalsContact C-N 3.35Å; D135-I137 VanDerWaalsContact C-N 3.33Å; D135-I137 PolarHBondContact O-N 3.03Å; D135-R138 PolarHBondContact O-N 3.4Å; D135-R138 IonicContact OD1-CZ 3.67Å; D135-R138 IonicContact OD1-NH1 3.19Å; D135-R138 PolarHBondContact OD1-NH1 3.47Å; D135-D139 WeakPolarHBondContact O-CB 3.16Å; D135-D139 VanDerWaalsContact O-CG 3.22Å; D135-D139 PolarHBondContact O-N 3.1Å; D135-R247 IonicContact OD1-NH1 2.61Å; D135-R247 IonicContact OD1-NH2 2.6Å; D135-R247 IonicContact OD2-CZ 2.8Å; D135-R247 IonicContact OD2-NH1 3.51Å; D135-R247 PolarHBondContact OD2-NH1 3.29Å; D135-R247 IonicContact OD2-NH2 3.06Å
136C96.1Very high93.1Very high10 Ų1041.5 Ų41.57%0.06823%0.226CC..Hα-helixtrans-58.2-43170.5-67.10000112.6L98 K131 L132 L133 D139 V140L98-C136 HydrophobicContact CD2-CB 4.33Å; K131-C136 VanDerWaalsContact CD-SG 3.56Å; L132-C136 PolarHBondContact O-N 3.4Å; L132-C136 PolarHBondContact O-SG 2.92Å; L133-C136 WeakPolarHBondContact O-CB 3.47Å; L133-C136 PolarHBondContact O-N 3.09Å; C136-D139 PolarHBondContact O-N 3.48Å; C136-V140 WeakPolarHBondContact O-CG2 3.37Å; C136-V140 PolarHBondContact O-N 2.92Å; C136-V140 VanDerWaalsContact O-N 3.16Å
137I98.3Very high94.1Very high0 Ų033.4 Ų33.40%018%0.182CC..Hα-helixtrans-63.3-46.2177.5-68.7158.8000110.7I91 L98 L102 A115 M119 L133 T134 D135 D139 V140 L141 C145I91-I137 HydrophobicContact CB-CD1 4.43Å; I91-I137 HydrophobicContact CD1-CD1 3.82Å; I91-I137 HydrophobicContact CD1-CG1 3.98Å; I91-I137 HydrophobicContact CD1-CG2 3.87Å; I91-I137 HydrophobicContact CG2-CD1 4.36Å; L98-I137 HydrophobicContact CD1-CG1 4.19Å; L102-I137 HydrophobicContact CD1-CG1 4Å; L102-I137 HydrophobicContact CD2-CG1 4.15Å; A115-I137 HydrophobicContact CB-CG2 3.85Å; M119-I137 HydrophobicContact CE-CD1 3.83Å; L133-I137 WeakPolarHBondContact O-CD1 3.48Å; L133-I137 VanDerWaalsContact O-CG1 3.28Å; L133-I137 WeakPolarHBondContact O-CG1 3.16Å; L133-I137 PolarHBondContact O-N 2.85Å; T134-I137 WeakPolarHBondContact O-CB 3.29Å; T134-I137 PolarHBondContact O-N 3.05Å; D135-I137 VanDerWaalsContact C-N 3.33Å; D135-I137 PolarHBondContact O-N 3.03Å; I137-D139 PolarHBondContact O-N 2.84Å; I137-V140 PolarHBondContact O-N 3.23Å; I137-L141 HydrophobicContact CG2-CD1 4.12Å; I137-L141 WeakPolarHBondContact O-CB 3.38Å; I137-L141 PolarHBondContact O-N 2.62Å; I137-C145 HydrophobicContact CB-CB 4.33Å; I137-C145 HydrophobicContact CG2-CB 4.05Å
138R97.9Very high95.1Very high56 Ų5629.4 Ų29.421%0.21116%0.161CC..Hα-helixtrans-58.8-46.8177.4-72.8173-179.4111.92.9112T134 D135 V140 S142 C145 E195T134-R138 WeakPolarHBondContact O-CG 3.39Å; T134-R138 PolarHBondContact O-N 3.33Å; T134-R138 PolarHBondContact OG1-NH1 3.41Å; D135-R138 PolarHBondContact O-N 3.4Å; D135-R138 IonicContact OD1-CZ 3.67Å; D135-R138 IonicContact OD1-NH1 3.19Å; D135-R138 PolarHBondContact OD1-NH1 3.47Å; R138-V140 PolarHBondContact O-N 3.33Å; R138-S142 WeakPolarHBondContact O-CA 3.28Å; R138-S142 PolarHBondContact O-N 3.19Å; R138-C145 HydrophobicContact CG-CB 4.02Å; R138-C145 PolarHBondContact NH2-O 2.83Å; R138-E195 IonicContact CZ-OE1 2.8Å; R138-E195 IonicContact CZ-OE2 3.02Å; R138-E195 IonicContact NH1-OE1 2.7Å; R138-E195 PolarHBondContact NH1-OE1 3.29Å; R138-E195 IonicContact NH2-OE1 3.44Å; R138-E195 PolarHBondContact NH2-OE1 3.11Å; R138-E195 IonicContact NH2-OE2 2.62Å; R138-E195 PolarHBondContact NH2-OE2 3.36Å
139D96.4Very high96.4Very high97 Ų9723.7 Ų23.752%0.51913%0.134SC..Hα-helixtrans-65.6-40.7-176-71.2-10.7000112K131 D135 C136 I137K131-D139 WeakPolarHBondContact CE-OD2 3.37Å; K131-D139 IonicContact NZ-OD2 3.57Å; K131-D139 PolarHBondContact NZ-OD2 2.81Å; D135-D139 WeakPolarHBondContact O-CB 3.16Å; D135-D139 VanDerWaalsContact O-CG 3.22Å; D135-D139 PolarHBondContact O-N 3.1Å; C136-D139 PolarHBondContact O-N 3.48Å; I137-D139 PolarHBondContact O-N 2.84Å
140V97.7Very high97Very high38 Ų3823.2 Ų23.223%0.2313%0.129CC..Hα-helixtrans-78.9-45.5-177-179.60000111.8L102 K106 C136 I137 R138L102-V140 HydrophobicContact CB-CB 4.09Å; L102-V140 HydrophobicContact CB-CG1 3.63Å; L102-V140 HydrophobicContact CD1-CB 4.14Å; L102-V140 HydrophobicContact CD1-CG2 4.24Å; K106-V140 HydrophobicContact CD-CG1 4.3Å; K106-V140 WeakPolarHBondContact CD-O 3.49Å; K106-V140 WeakPolarHBondContact CE-O 3.24Å; K106-V140 PolarHBondContact NZ-O 3.32Å; C136-V140 WeakPolarHBondContact O-CG2 3.37Å; C136-V140 PolarHBondContact O-N 2.92Å; C136-V140 VanDerWaalsContact O-N 3.16Å; I137-V140 PolarHBondContact O-N 3.23Å; R138-V140 PolarHBondContact O-N 3.33Å
141L98.3Very high97.1Very high13 Ų1323.3 Ų23.37%0.06813%0.133CC..Hα-helixtrans-93.9-14-173.1-60.7-172.7000114L89 L102 M105 K106 V109 I137 I143L89-L141 HydrophobicContact CD1-CD1 4.45Å; L102-L141 HydrophobicContact CB-CD2 4.42Å; L102-L141 HydrophobicContact CD2-CD1 3.74Å; L102-L141 HydrophobicContact CD2-CD2 4.36Å; L102-L141 HydrophobicContact CD2-CG 3.97Å; M105-L141 HydrophobicContact CB-CD2 4.35Å; M105-L141 HydrophobicContact CE-CD1 4.28Å; K106-L141 HydrophobicContact CB-CD2 4.08Å; V109-L141 HydrophobicContact CG2-CD1 4.41Å; V109-L141 HydrophobicContact CG2-CD2 4.23Å; I137-L141 HydrophobicContact CG2-CD1 4.12Å; I137-L141 WeakPolarHBondContact O-CB 3.38Å; I137-L141 PolarHBondContact O-N 2.62Å; L141-I143 HydrophobicContact CB-CD1 4.16Å; L141-I143 HydrophobicContact CB-CG1 3.78Å; L141-I143 HydrophobicContact CD1-CD1 4.04Å; L141-I143 HydrophobicContact CD1-CG1 4.46Å; L141-I143 PolarHBondContact O-N 3.34Å
142S97.9Very high96.8Very high96 Ų9621.1 Ų21.167%0.67112%0.124SC*.  trans5637.2-177.6-520000113.6R138R138-S142 WeakPolarHBondContact O-CA 3.28Å; R138-S142 PolarHBondContact O-N 3.19Å
143I98.5Very high96.5Very high6 Ų625.1 Ų25.13%0.03115%0.145CC..SBendtrans-127.5155.7176.560.8173.6000110.8L89 V109 S113 A115 L141L89-I143 HydrophobicContact CD1-CD1 3.85Å; V109-I143 HydrophobicContact CG1-CD1 3.98Å; V109-I143 HydrophobicContact CG1-CG2 4.16Å; S113-I143 WeakPolarHBondContact O-CB 3.49Å; S113-I143 WeakPolarHBondContact O-CG2 3.49Å; A115-I143 HydrophobicContact CB-CD1 3.99Å; L141-I143 HydrophobicContact CB-CD1 4.16Å; L141-I143 HydrophobicContact CB-CG1 3.78Å; L141-I143 HydrophobicContact CD1-CD1 4.04Å; L141-I143 HydrophobicContact CD1-CG1 4.46Å; L141-I143 PolarHBondContact O-N 3.34Å
144P98.5Very high96.3Very high60 Ų6025.7 Ų25.739%0.3915%0.15SC..  trans-59.7145.4171.9-24.737.8000111.2Y114 A115 M174Y114-P144 CarbonylContact C-O 3.58Å; Y114-P144 WeakPolarHBondContact CA-O 3.23Å; Y114-P144 WeakPolarHBondContact CB-O 3.33Å; A115-P144 PolarHBondContact N-O 3.31Å; P144-M174 HydrophobicContact CB-CE 3.97Å; P144-M174 HydrophobicContact CB-SD 4.04Å; P144-M174 HydrophobicContact CG-CE 3.93Å
145C98.7Very high96Very high1 Ų129 Ų291%0.00717%0.17CC..EExtended strand (participates in β ladder)trans-131.3126.5176.7-166.90000109.3A115 I137 R138A115-C145 HydrophobicContact CB-CB 4.27Å; A115-C145 CarbonylContact O-C 3.59Å; A115-C145 VanDerWaalsContact O-CA 3.29Å; A115-C145 WeakPolarHBondContact O-CA 3.35Å; I137-C145 HydrophobicContact CB-CB 4.33Å; I137-C145 HydrophobicContact CG2-CB 4.05Å; R138-C145 HydrophobicContact CG-CB 4.02Å; R138-C145 PolarHBondContact NH2-O 2.83Å
146A98.8Very high95.9Very high0 Ų032.1 Ų32.10%018%0.184CC..EExtended strand (participates in β ladder)trans-92172.8167.700000110.1A115 I116 S117 I169 L178A115-A146 PolarHBondContact O-N 2.9Å; I116-A146 CarbonylContact C-O 3.54Å; I116-A146 VanDerWaalsContact CA-O 3.29Å; I116-A146 WeakPolarHBondContact CA-O 3.48Å; I116-A146 HydrophobicContact CB-CB 4.1Å; I116-A146 HydrophobicContact CD1-CB 4.27Å; I116-A146 HydrophobicContact CG1-CB 3.86Å; S117-A146 PolarHBondContact N-O 3.08Å; A146-I169 HydrophobicContact CB-CB 3.77Å; A146-I169 HydrophobicContact CB-CD1 3.93Å; A146-I169 HydrophobicContact CB-CG1 4.01Å; A146-I169 HydrophobicContact CB-CG2 4.47Å; A146-L178 HydrophobicContact CB-CD1 3.57Å
147V98.8Very high95.9Very high0 Ų031.7 Ų31.70%018%0.181CC..EExtended strand (participates in β ladder)trans-127.2147.1170.775.70000111.2S117 T134 M149 I167 G168 E195 T198 E199S117-V147 CarbonylContact O-C 3.58Å; S117-V147 WeakPolarHBondContact O-CA 3.35Å; S117-V147 WeakPolarHBondContact O-CG2 3.4Å; T134-V147 HydrophobicContact CG2-CB 3.93Å; T134-V147 HydrophobicContact CG2-CG2 4.26Å; V147-M149 HydrophobicContact CG2-CE 3.36Å; V147-M149 HydrophobicContact CG2-CG 4.05Å; V147-M149 HydrophobicContact CG2-SD 4.42Å; V147-I167 CarbonylContact O-C 3.6Å; V147-I167 VanDerWaalsContact O-CA 3.24Å; V147-I167 WeakPolarHBondContact O-CA 3.31Å; V147-G168 PolarHBondContact N-O 3.27Å; V147-G168 PolarHBondContact O-N 3.3Å; V147-E195 HydrophobicContact CB-CG 4.12Å; V147-E195 HydrophobicContact CG1-CG 3.65Å; V147-T198 HydrophobicContact CG1-CG2 3.6Å; V147-E199 HydrophobicContact CB-CB 4.44Å; V147-E199 HydrophobicContact CG1-CB 4.27Å; V147-E199 HydrophobicContact CG2-CB 3.94Å; V147-E199 HydrophobicContact CG2-CG 4.06Å
148L98.7Very high95.8Very high2 Ų231.9 Ų31.91%0.0118%0.182CC..EExtended strand (participates in β ladder)trans-123.9123167.5-178.8159.5000109.8W14 I116 S117 L118 A165 T166 I167 F182 F187 I189W14-L148 HydrophobicContact CZ2-CD2 4.38Å; I116-L148 HydrophobicContact CD1-CB 3.76Å; I116-L148 HydrophobicContact CG1-CB 4.35Å; S117-L148 PolarHBondContact O-N 2.86Å; L118-L148 HydrophobicContact CD1-CB 3.96Å; L118-L148 HydrophobicContact CD2-CD2 4.45Å; L118-L148 HydrophobicContact CG-CB 3.97Å; L118-L148 HydrophobicContact CG-CD2 4.18Å; L118-L148 HydrophobicContact CG-CG 4.49Å; L148-A165 HydrophobicContact CD1-CB 4.44Å; L148-A165 HydrophobicContact CD2-CB 3.87Å; L148-A165 HydrophobicContact CG-CB 4.1Å; L148-T166 WeakPolarHBondContact CA-O 3.42Å; L148-I167 HydrophobicContact CB-CG1 4.08Å; L148-I167 HydrophobicContact CD1-CD1 4.01Å; L148-I167 HydrophobicContact CD1-CG1 3.86Å; L148-I167 HydrophobicContact CG-CG1 4.01Å; L148-F182 HydrophobicContact CD1-CD1 3.68Å; L148-F182 HydrophobicContact CD1-CE1 3.88Å; L148-F182 HydrophobicContact CD1-CG 4.06Å; L148-F182 HydrophobicContact CD1-CZ 4.45Å; L148-F187 HydrophobicContact CD1-CZ 4.33Å; L148-F187 HydrophobicContact CD2-CZ 4.35Å; L148-I189 HydrophobicContact CD1-CD1 4.3Å
149M97.9Very high95.8Very high0 Ų034.9 Ų34.90%020%0.198CC..EExtended strand (participates in β ladder)trans-132.8157.5176.3-61.7-59.7175.600110.3M119 K120 V147 T166 T198 E199 C258M119-M149 WeakPolarHBondContact O-CE 3.48Å; K120-M149 HydrophobicContact CD-SD 4.45Å; K120-M149 HydrophobicContact CG-CE 4.47Å; K120-M149 HydrophobicContact CG-SD 3.71Å; V147-M149 HydrophobicContact CG2-CE 3.36Å; V147-M149 HydrophobicContact CG2-CG 4.05Å; V147-M149 HydrophobicContact CG2-SD 4.42Å; M149-T166 PolarHBondContact N-O 3.22Å; M149-T166 PolarHBondContact O-N 3.32Å; M149-T198 HydrophobicContact CB-CG2 3.88Å; M149-T198 HydrophobicContact CG-CG2 4.01Å; M149-T198 VanDerWaalsContact CG-O 3.24Å; M149-T198 WeakPolarHBondContact CG-O 3.3Å; M149-E199 HydrophobicContact CE-CG 4.08Å; M149-C258 HydrophobicContact CB-CB 3.48Å; M149-C258 VanDerWaalsContact CB-CB 3.48Å
150G95.1Very high95.9Very high0 Ų035 Ų350%020%0.196CC..SBendtrans160.3164.2-175.800000113K120 N152K120-G150 PolarHBondContact NZ-O 2.65Å; G150-N152 VanDerWaalsContact CA-OD1 3.31Å; G150-N152 WeakPolarHBondContact CA-OD1 3.35Å; G150-N152 PolarHBondContact O-N 2.82Å; G150-N152 PolarHBondContact O-OD1 2.94Å; G150-N152 VanDerWaalsContact O-OD1 3.12Å
151A91.5Very high95.9Very high18 Ų1836.9 Ų36.915%0.14921%0.205CC..SBendtrans-70.267.8178.400000111.5S257 A261 D262 T265A151-S257 PolarHBondContact N-OG 2.8Å; A151-A261 HydrophobicContact CB-CB 4.26Å; A151-D262 HydrophobicContact CB-CB 4.32Å; A151-T265 HydrophobicContact CB-CG2 4.49Å
152N87.9Confident95.8Very high16 Ų1643.4 Ų43.49%0.08623%0.229CC..  trans-117.493.9-167.8-43.8125.2000111.3W14 G150 A154 V157 E164 F187W14-N152 HydrophobicContact CH2-CB 3.32Å; W14-N152 HydrophobicContact CZ2-CB 3.54Å; W14-N152 HydrophobicContact CZ3-CB 3.97Å; G150-N152 VanDerWaalsContact CA-OD1 3.31Å; G150-N152 WeakPolarHBondContact CA-OD1 3.35Å; G150-N152 PolarHBondContact O-N 2.82Å; G150-N152 PolarHBondContact O-OD1 2.94Å; G150-N152 VanDerWaalsContact O-OD1 3.12Å; N152-A154 PolarHBondContact O-N 3.23Å; N152-V157 HydrophobicContact CB-CG2 4.21Å; N152-E164 PolarHBondContact ND2-O 3.19Å; N152-F187 WeakPolarHBondContact ND2-CE2 3.4Å
153L89.7Confident95.7Very high83 Ų8339.6 Ų39.644%0.43520%0.203SC..  trans-78.7107.2169.3-65.2-179.4000108.8T155 E156 V157 T265L153-T155 VanDerWaalsContact C-N 3.25Å; L153-T155 PolarHBondContact O-N 2.81Å; L153-T155 VanDerWaalsContact O-N 3.09Å; L153-E156 HydrophobicContact CB-CB 4.26Å; L153-E156 HydrophobicContact CB-CG 4.17Å; L153-E156 PolarHBondContact O-N 2.74Å; L153-V157 WeakPolarHBondContact O-CG2 3.43Å; L153-V157 PolarHBondContact O-N 2.78Å; L153-T265 HydrophobicContact CD1-CG2 4.28Å; L153-T265 HydrophobicContact CG-CG2 4.22Å
154A90.5Very high95.6Very high14 Ų1443.6 Ų43.612%0.11622%0.221CC..Hα-helixtrans-48.1-45-171.200000114N13 W14 T17 N152 E156 V157 S158N13-A154 HydrophobicContact CB-CB 4.21Å; N13-A154 WeakPolarHBondContact OD1-CB 3.27Å; W14-A154 HydrophobicContact CB-CB 4.17Å; W14-A154 HydrophobicContact CD2-CB 4.36Å; W14-A154 HydrophobicContact CE3-CB 3.55Å; W14-A154 HydrophobicContact CZ3-CB 4.35Å; T17-A154 PolarHBondContact OG1-O 2.96Å; N152-A154 PolarHBondContact O-N 3.23Å; A154-E156 PolarHBondContact O-N 2.65Å; A154-V157 PolarHBondContact O-N 2.78Å; A154-S158 VanDerWaalsContact O-CB 3.25Å; A154-S158 WeakPolarHBondContact O-CB 3.48Å; A154-S158 PolarHBondContact O-N 3.3Å; A154-S158 PolarHBondContact O-OG 2.71Å
155T91.5Very high95.6Very high70 Ų7040.8 Ų40.843%0.42920%0.203SC..Hα-helixtrans-59.7-46.4177.1-52.80000112.5N13 L153 S158 Q159N13-T155 PolarHBondContact ND2-OG1 2.99Å; L153-T155 VanDerWaalsContact C-N 3.25Å; L153-T155 PolarHBondContact O-N 2.81Å; L153-T155 VanDerWaalsContact O-N 3.09Å; T155-S158 PolarHBondContact O-N 3.22Å; T155-S158 PolarHBondContact O-OG 3.49Å; T155-Q159 VanDerWaalsContact O-CG 3.3Å; T155-Q159 WeakPolarHBondContact O-CG 3.4Å; T155-Q159 PolarHBondContact O-N 3.16Å; T155-Q159 VanDerWaalsContact O-N 3.1Å
156E94.8Very high95.6Very high94 Ų9440.8 Ų40.844%0.43920%0.203SC..Hα-helixtrans-66.5-43.7179.8-67-179-17800111.5L153 A154 S158 Q159 E160 N161L153-E156 HydrophobicContact CB-CB 4.26Å; L153-E156 HydrophobicContact CB-CG 4.17Å; L153-E156 PolarHBondContact O-N 2.74Å; A154-E156 PolarHBondContact O-N 2.65Å; E156-S158 VanDerWaalsContact C-N 3.29Å; E156-S158 PolarHBondContact O-N 2.97Å; E156-Q159 CarbonylContact O-C 3.42Å; E156-Q159 WeakPolarHBondContact O-CA 3.47Å; E156-Q159 WeakPolarHBondContact O-CB 3.34Å; E156-Q159 PolarHBondContact O-N 3.49Å; E156-Q159 VanDerWaalsContact O-N 3.11Å; E156-E160 PolarHBondContact O-N 3.48Å; E156-N161 HydrophobicContact CB-CB 4.09Å; E156-N161 WeakPolarHBondContact O-CB 3.25Å; E156-N161 PolarHBondContact O-N 3.29Å
157V96.8Very high95.6Very high2 Ų240.8 Ų40.81%0.01220%0.203CC..Hα-helixtrans-64-37.6177.3-174.30000111W14 T17 I21 N152 L153 A154 Q159 E160 C163 Y186 F187W14-V157 HydrophobicContact CH2-CB 4.41Å; W14-V157 HydrophobicContact CH2-CG1 4.24Å; W14-V157 HydrophobicContact CH2-CG2 4.15Å; W14-V157 HydrophobicContact CZ3-CB 3.9Å; W14-V157 HydrophobicContact CZ3-CG1 4.06Å; W14-V157 HydrophobicContact CZ3-CG2 3.89Å; T17-V157 HydrophobicContact CG2-CB 3.98Å; T17-V157 HydrophobicContact CG2-CG1 3.96Å; I21-V157 HydrophobicContact CD1-CG1 3.83Å; N152-V157 HydrophobicContact CB-CG2 4.21Å; L153-V157 WeakPolarHBondContact O-CG2 3.43Å; L153-V157 PolarHBondContact O-N 2.78Å; A154-V157 PolarHBondContact O-N 2.78Å; V157-Q159 PolarHBondContact O-N 3.2Å; V157-E160 PolarHBondContact O-N 2.94Å; V157-C163 WeakPolarHBondContact CG2-SG 3.41Å; V157-Y186 HydrophobicContact CG1-CE2 4.23Å; V157-Y186 WeakPolarHBondContact O-CE2 3.32Å; V157-F187 HydrophobicContact CG1-CD2 4.41Å; V157-F187 HydrophobicContact CG1-CG 4.38Å
158S96.9Very high95.6Very high3 Ų340.8 Ų40.82%0.02120%0.203CC..Hα-helixtrans-66.6-26.4176.579.60000113.2K20 A154 T155 E156 E160K20-S158 PolarHBondContact NZ-O 3.47Å; A154-S158 VanDerWaalsContact O-CB 3.25Å; A154-S158 WeakPolarHBondContact O-CB 3.48Å; A154-S158 PolarHBondContact O-N 3.3Å; A154-S158 PolarHBondContact O-OG 2.71Å; T155-S158 PolarHBondContact O-N 3.22Å; T155-S158 PolarHBondContact O-OG 3.49Å; E156-S158 VanDerWaalsContact C-N 3.29Å; E156-S158 PolarHBondContact O-N 2.97Å; S158-E160 VanDerWaalsContact C-N 3.26Å
159Q97.3Very high95.6Very high119 Ų11941.3 Ų41.356%0.55621%0.206SC*.THydrogen-bonded Turntrans-87.16.2173-68.9172.9-24.500112.7T155 E156 V157 N161T155-Q159 VanDerWaalsContact O-CG 3.3Å; T155-Q159 WeakPolarHBondContact O-CG 3.4Å; T155-Q159 PolarHBondContact O-N 3.16Å; T155-Q159 VanDerWaalsContact O-N 3.1Å; E156-Q159 CarbonylContact O-C 3.42Å; E156-Q159 WeakPolarHBondContact O-CA 3.47Å; E156-Q159 WeakPolarHBondContact O-CB 3.34Å; E156-Q159 PolarHBondContact O-N 3.49Å; E156-Q159 VanDerWaalsContact O-N 3.11Å; V157-Q159 PolarHBondContact O-N 3.2Å; Q159-N161 VanDerWaalsContact C-N 3.26Å; Q159-N161 PolarHBondContact O-N 3.3Å
160E97.4Very high95.6Very high101 Ų10146.5 Ų46.547%0.47223%0.234SC..THydrogen-bonded Turntrans67.424176.9-47.5-172178.100113.9K20 E156 V157 S158 Y186K20-E160 VanDerWaalsContact NZ-CG 3.32Å; K20-E160 IonicContact NZ-OE1 2.76Å; K20-E160 PolarHBondContact NZ-OE1 2.94Å; E156-E160 PolarHBondContact O-N 3.48Å; V157-E160 PolarHBondContact O-N 2.94Å; S158-E160 VanDerWaalsContact C-N 3.26Å; E160-Y186 HydrophobicContact CB-CD1 3.64Å; E160-Y186 HydrophobicContact CB-CD2 4.17Å; E160-Y186 HydrophobicContact CB-CE1 3.79Å; E160-Y186 HydrophobicContact CB-CE2 4.31Å; E160-Y186 HydrophobicContact CB-CG 3.84Å; E160-Y186 HydrophobicContact CG-CD1 4Å; E160-Y186 HydrophobicContact CG-CE1 3.59Å; E160-Y186 HydrophobicContact CG-CE2 4.23Å; E160-Y186 HydrophobicContact CG-CG 4.48Å; E160-Y186 WeakPolarHBondContact O-CB 3.28Å
161N97.5Very high95.7Very high77 Ų7749.2 Ų49.241%0.41225%0.248SC..  trans-68.4141.8167.3-66.5-16.2000110E156 Q159 C163E156-N161 HydrophobicContact CB-CB 4.09Å; E156-N161 WeakPolarHBondContact O-CB 3.25Å; E156-N161 PolarHBondContact O-N 3.29Å; Q159-N161 VanDerWaalsContact C-N 3.26Å; Q159-N161 PolarHBondContact O-N 3.3Å; N161-C163 PolarHBondContact O-N 3.02Å
162Y97.2Very high95.9Very high149 Ų14953.3 Ų53.358%0.58427%0.273SS*.  trans-63.9131.9-177.2-176.7-86.6000111.9E164 Y186 R188Y162-E164 HydrophobicContact CE1-CG 3.89Å; Y162-Y186 CarbonylContact C-O 3.59Å; Y162-Y186 VanDerWaalsContact CA-O 3.28Å; Y162-Y186 WeakPolarHBondContact CA-O 3.29Å; Y162-R188 HydrophobicContact CE2-CG 3.63Å
163C95.6Very high96.4Very high16 Ų1660.2 Ų60.211%0.10830%0.303CS..EExtended strand (participates in β ladder)trans-155.2170.1169.363.40000111.5V157 N161 Y186 F187 R188V157-C163 WeakPolarHBondContact CG2-SG 3.41Å; N161-C163 PolarHBondContact O-N 3.02Å; C163-Y186 PolarHBondContact N-O 3.18Å; C163-F187 WeakPolarHBondContact O-CA 3.49Å; C163-F187 WeakPolarHBondContact SG-CD2 3.47Å; C163-R188 PolarHBondContact O-N 2.76Å
164E97.6Very high96.8Very high91 Ų9157.8 Ų57.843%0.42529%0.289SS..EExtended strand (participates in β ladder)trans-121.2152.1179.7-57.5-176.893.900109.7N152 Y162 R188 S257N152-E164 PolarHBondContact ND2-O 3.19Å; Y162-E164 HydrophobicContact CE1-CG 3.89Å; E164-R188 CarbonylContact C-O 3.53Å; E164-R188 VanDerWaalsContact CA-O 3.32Å; E164-R188 WeakPolarHBondContact CA-O 3.41Å; E164-R188 HydrophobicContact CG-CB 4.26Å; E164-S257 PolarHBondContact O-OG 3.08Å
165A98.3Very high97.2Very high1 Ų157.2 Ų57.21%0.00829%0.285CS..EExtended strand (participates in β ladder)trans-141.4153.9168.400000111L148 F187 R188 I189 V190L148-A165 HydrophobicContact CD1-CB 4.44Å; L148-A165 HydrophobicContact CD2-CB 3.87Å; L148-A165 HydrophobicContact CG-CB 4.1Å; A165-F187 HydrophobicContact CB-CE2 3.45Å; A165-F187 VanDerWaalsContact CB-CE2 3.45Å; A165-F187 HydrophobicContact CB-CZ 3.58Å; A165-R188 PolarHBondContact N-O 3.34Å; A165-I189 HydrophobicContact CB-CD1 3.88Å; A165-I189 WeakPolarHBondContact O-CA 3Å; A165-V190 PolarHBondContact O-N 2.73Å
166T98.8Very high97.5Very high0 Ų057.2 Ų57.20%029%0.287CS..EExtended strand (participates in β ladder)trans-108.2125.6179.3-48.90000108.6L148 M149 V190 I192 T198 E256 S257 C258L148-T166 WeakPolarHBondContact CA-O 3.42Å; M149-T166 PolarHBondContact N-O 3.22Å; M149-T166 PolarHBondContact O-N 3.32Å; T166-V190 CarbonylContact C-O 3.6Å; T166-V190 WeakPolarHBondContact CA-O 3.5Å; T166-I192 HydrophobicContact CG2-CD1 3.79Å; T166-I192 HydrophobicContact CG2-CG1 3.87Å; T166-I192 HydrophobicContact CG2-CG2 4.36Å; T166-T198 HydrophobicContact CG2-CG2 4.24Å; T166-E256 HydrophobicContact CG2-CB 4.08Å; T166-E256 HydrophobicContact CG2-CG 4.31Å; T166-E256 WeakPolarHBondContact OG1-CB 3.46Å; T166-S257 PolarHBondContact OG1-N 2.69Å; T166-C258 PolarHBondContact OG1-N 2.64Å
167I98.8Very high97.7Very high0 Ų053.5 Ų53.50%027%0.27CS..EExtended strand (participates in β ladder)trans-100.7122169-64.6-175.5000108.3I116 V147 L148 I169 L178 F182 I189 V190 V191 I192I116-I167 HydrophobicContact CD1-CD1 4.08Å; I116-I167 HydrophobicContact CD1-CG1 4.31Å; I116-I167 HydrophobicContact CD1-CG2 4.23Å; V147-I167 CarbonylContact O-C 3.6Å; V147-I167 VanDerWaalsContact O-CA 3.24Å; V147-I167 WeakPolarHBondContact O-CA 3.31Å; L148-I167 HydrophobicContact CB-CG1 4.08Å; L148-I167 HydrophobicContact CD1-CD1 4.01Å; L148-I167 HydrophobicContact CD1-CG1 3.86Å; L148-I167 HydrophobicContact CG-CG1 4.01Å; I167-I169 HydrophobicContact CG2-CG2 4.08Å; I167-L178 HydrophobicContact CD1-CB 3.77Å; I167-L178 HydrophobicContact CG2-CB 4.48Å; I167-L178 HydrophobicContact CG2-CD1 3.98Å; I167-F182 HydrophobicContact CD1-CD2 4.27Å; I167-I189 HydrophobicContact CB-CG2 4.32Å; I167-I189 HydrophobicContact CD1-CG2 3.53Å; I167-I189 HydrophobicContact CG1-CG2 3.72Å; I167-V190 PolarHBondContact N-O 3.36Å; I167-V191 HydrophobicContact CB-CG2 4.32Å; I167-V191 CarbonylContact O-C 3.57Å; I167-V191 WeakPolarHBondContact O-CA 3.48Å; I167-I192 PolarHBondContact O-N 3.32Å
168G98.7Very high97.8Very high0 Ų053.4 Ų53.40%027%0.27CS..EExtended strand (participates in β ladder)trans-97.9118172.300000110.5V147 I192V147-G168 PolarHBondContact N-O 3.27Å; V147-G168 PolarHBondContact O-N 3.3Å; G168-I192 WeakPolarHBondContact CA-O 3.27Å
169I98.4Very high97.9Very high14 Ų1456.7 Ų56.77%0.07228%0.284CS..  trans-163.8128.2172.6-173.861.7000110.8A146 I167 N171 M174 V191 I192A146-I169 HydrophobicContact CB-CB 3.77Å; A146-I169 HydrophobicContact CB-CD1 3.93Å; A146-I169 HydrophobicContact CB-CG1 4.01Å; A146-I169 HydrophobicContact CB-CG2 4.47Å; I167-I169 HydrophobicContact CG2-CG2 4.08Å; I169-N171 HydrophobicContact CD1-CB 4.48Å; I169-N171 HydrophobicContact CG1-CB 3.91Å; I169-N171 PolarHBondContact O-N 2.91Å; I169-N171 VanDerWaalsContact O-N 3.09Å; I169-M174 HydrophobicContact CG1-CB 4.32Å; I169-V191 HydrophobicContact CG2-CG1 4.07Å; I169-I192 PolarHBondContact N-O 3.32Å
170D96.4Very high97.9Very high109 Ų10955 Ų5558%0.58327%0.274SS*.SBendtrans-87.354.1171.9-164.825.2000112K193D170-K193 HydrophobicContact CB-CB 4.38Å; D170-K193 WeakPolarHBondContact OD1-CD 3.31Å; D170-K193 WeakPolarHBondContact OD1-CG 3.46Å; D170-K193 IonicContact OD1-NZ 3.25Å
171N97.9Very high98Very high56 Ų5650.1 Ų50.130%0.29925%0.252SS..  trans-147.5103.9173.7-174.7-50.8000109.2I169 K173 M174 G175I169-N171 HydrophobicContact CD1-CB 4.48Å; I169-N171 HydrophobicContact CG1-CB 3.91Å; I169-N171 PolarHBondContact O-N 2.91Å; I169-N171 VanDerWaalsContact O-N 3.09Å; N171-K173 PolarHBondContact O-N 3.16Å; N171-K173 WeakPolarHBondContact OD1-CB 3.5Å; N171-K173 PolarHBondContact OD1-N 3.47Å; N171-K173 VanDerWaalsContact OD1-N 3.11Å; N171-M174 HydrophobicContact CB-CB 4.06Å; N171-M174 HydrophobicContact CB-CG 4.14Å; N171-M174 HydrophobicContact CB-SD 4.03Å; N171-M174 PolarHBondContact O-N 3.5Å; N171-M174 PolarHBondContact OD1-N 2.56Å; N171-G175 PolarHBondContact O-N 2.91Å
172P96.8Very high98Very high105 Ų10546.5 Ų46.568%0.68223%0.232SC*.Hα-helixtrans-58.7-34.1-174.8-27.635.1000114S176P172-S176 WeakPolarHBondContact O-CB 3.42Å; P172-S176 PolarHBondContact O-N 2.97Å
173K97.6Very high98.1Very high161 Ų16141.7 Ų41.770%0.722%0.215SC*.Hα-helixtrans-70-47.7-179.8-174.4-179.8177.7-176.90111N171 S176 E177N171-K173 PolarHBondContact O-N 3.16Å; N171-K173 WeakPolarHBondContact OD1-CB 3.5Å; N171-K173 PolarHBondContact OD1-N 3.47Å; N171-K173 VanDerWaalsContact OD1-N 3.11Å; K173-S176 PolarHBondContact O-N 3.09Å; K173-E177 WeakPolarHBondContact O-CB 3.48Å; K173-E177 PolarHBondContact O-N 3.23Å
174M98.4Very high98.2Very high31 Ų3141.6 Ų41.615%0.15321%0.214CC..Hα-helixtrans-65.2-41.4175.8-65.5177.8179.600111.2Y114 P144 I169 N171 S176 E177 L178Y114-M174 HydrophobicContact CD1-CE 4.07Å; Y114-M174 HydrophobicContact CD1-CG 4.12Å; Y114-M174 HydrophobicContact CD1-SD 4.26Å; Y114-M174 HydrophobicContact CD2-CG 4.35Å; Y114-M174 HydrophobicContact CD2-SD 4.1Å; Y114-M174 HydrophobicContact CE1-CG 4.19Å; Y114-M174 HydrophobicContact CE2-CB 4.32Å; Y114-M174 HydrophobicContact CE2-CG 4.44Å; Y114-M174 HydrophobicContact CG-CE 3.99Å; Y114-M174 HydrophobicContact CG-CG 4.2Å; Y114-M174 HydrophobicContact CG-SD 3.85Å; P144-M174 HydrophobicContact CB-CE 3.97Å; P144-M174 HydrophobicContact CB-SD 4.04Å; P144-M174 HydrophobicContact CG-CE 3.93Å; I169-M174 HydrophobicContact CG1-CB 4.32Å; N171-M174 HydrophobicContact CB-CB 4.06Å; N171-M174 HydrophobicContact CB-CG 4.14Å; N171-M174 HydrophobicContact CB-SD 4.03Å; N171-M174 PolarHBondContact O-N 3.5Å; N171-M174 PolarHBondContact OD1-N 2.56Å; M174-S176 PolarHBondContact O-N 3.47Å; M174-E177 PolarHBondContact O-N 2.88Å; M174-L178 WeakPolarHBondContact O-CB 3.39Å; M174-L178 VanDerWaalsContact O-CG 3.26Å; M174-L178 WeakPolarHBondContact O-CG 3.3Å; M174-L178 PolarHBondContact O-N 3.11Å
175G98.6Very high98.2Very high2 Ų244.2 Ų44.22%0.02123%0.231CC..Hα-helixtrans-59-46.8176.100000112.6N171 E177 K179N171-G175 PolarHBondContact O-N 2.91Å; G175-E177 VanDerWaalsContact C-N 3.32Å; G175-E177 PolarHBondContact O-N 3.29Å; G175-K179 WeakPolarHBondContact O-CB 3.43Å; G175-K179 PolarHBondContact O-N 3.16Å
176S98.3Very high98.2Very high70 Ų7045.5 Ų45.549%0.4924%0.236SC..Hα-helixtrans-63.5-37.6175.7-178.50000112.5P172 K173 M174 K180P172-S176 WeakPolarHBondContact O-CB 3.42Å; P172-S176 PolarHBondContact O-N 2.97Å; K173-S176 PolarHBondContact O-N 3.09Å; M174-S176 PolarHBondContact O-N 3.47Å; S176-K180 WeakPolarHBondContact O-CG 3.05Å; S176-K180 PolarHBondContact O-N 2.92Å
177E98.5Very high98.1Very high16 Ų1645.5 Ų45.58%0.07524%0.236CC..Hα-helixtrans-68.2-49.7177.8-178.3170.4-155.500112R4 Y32 Y114 K173 M174 G175 K179 K180 L181R4-E177 IonicContact CZ-OE1 2.68Å; R4-E177 IonicContact CZ-OE2 2.8Å; R4-E177 VanDerWaalsContact CZ-OE2 3.25Å; R4-E177 IonicContact NE-OE1 3.78Å; R4-E177 PolarHBondContact NE-OE1 3.01Å; R4-E177 IonicContact NH1-OE1 3.93Å; R4-E177 PolarHBondContact NH1-OE1 3.07Å; R4-E177 IonicContact NH1-OE2 3.81Å; R4-E177 PolarHBondContact NH1-OE2 3.25Å; R4-E177 IonicContact NH2-OE1 3.57Å; R4-E177 IonicContact NH2-OE2 2.89Å; R4-E177 PolarHBondContact NH2-OE2 3.4Å; Y32-E177 WeakPolarHBondContact OH-CG 3.49Å; Y32-E177 PolarHBondContact OH-OE1 3.27Å; Y114-E177 WeakPolarHBondContact CE1-OE2 3.2Å; Y114-E177 VanDerWaalsContact OH-CD 3.27Å; Y114-E177 WeakPolarHBondContact OH-CG 3.14Å; Y114-E177 PolarHBondContact OH-OE2 3.38Å; Y114-E177 VanDerWaalsContact OH-OE2 3.12Å; K173-E177 WeakPolarHBondContact O-CB 3.48Å; K173-E177 PolarHBondContact O-N 3.23Å; M174-E177 PolarHBondContact O-N 2.88Å; G175-E177 VanDerWaalsContact C-N 3.32Å; G175-E177 PolarHBondContact O-N 3.29Å; E177-K179 VanDerWaalsContact C-N 3.26Å; E177-K179 PolarHBondContact O-N 3.44Å; E177-K180 WeakPolarHBondContact O-CA 3.33Å; E177-K180 WeakPolarHBondContact O-CB 3.42Å; E177-K180 PolarHBondContact O-N 3.33Å; E177-L181 HydrophobicContact CG-CD1 4.29Å; E177-L181 WeakPolarHBondContact O-CG 3.35Å; E177-L181 PolarHBondContact O-N 3.45Å
178L98.8Very high98.1Very high0 Ų049.6 Ų49.60%025%0.251CS..Hα-helixtrans-57.6-42.2175.8-73.4168.7000110.7V88 Y114 I116 A146 I167 M174 K180 L181 F182V88-L178 HydrophobicContact CG1-CD2 4.37Å; Y114-L178 HydrophobicContact CE2-CD1 3.95Å; Y114-L178 HydrophobicContact CE2-CD2 3.81Å; Y114-L178 HydrophobicContact CE2-CG 3.83Å; I116-L178 HydrophobicContact CB-CD2 4.05Å; I116-L178 HydrophobicContact CD1-CD1 3.95Å; I116-L178 HydrophobicContact CD1-CD2 3.83Å; I116-L178 HydrophobicContact CD1-CG 4.39Å; I116-L178 HydrophobicContact CG2-CD2 3.87Å; A146-L178 HydrophobicContact CB-CD1 3.57Å; I167-L178 HydrophobicContact CD1-CB 3.77Å; I167-L178 HydrophobicContact CG2-CB 4.48Å; I167-L178 HydrophobicContact CG2-CD1 3.98Å; M174-L178 WeakPolarHBondContact O-CB 3.39Å; M174-L178 VanDerWaalsContact O-CG 3.26Å; M174-L178 WeakPolarHBondContact O-CG 3.3Å; M174-L178 PolarHBondContact O-N 3.11Å; L178-K180 VanDerWaalsContact C-N 3.3Å; L178-K180 PolarHBondContact O-N 2.84Å; L178-L181 PolarHBondContact O-N 2.98Å; L178-L181 VanDerWaalsContact O-N 3.11Å; L178-F182 HydrophobicContact CD2-CD2 4.29Å; L178-F182 HydrophobicContact CD2-CE2 3.78Å; L178-F182 VanDerWaalsContact O-CD2 3.27Å; L178-F182 WeakPolarHBondContact O-CD2 3.42Å; L178-F182 PolarHBondContact O-N 3Å
179K98.6Very high98.1Very high73 Ų7349.7 Ų49.732%0.31725%0.252SS..Hα-helixtrans-57.1-41.8173.7-175.3160.6-177.1147.50112.5G175 E177 Q183 I189 V191G175-K179 WeakPolarHBondContact O-CB 3.43Å; G175-K179 PolarHBondContact O-N 3.16Å; E177-K179 VanDerWaalsContact C-N 3.26Å; E177-K179 PolarHBondContact O-N 3.44Å; K179-Q183 HydrophobicContact CG-CB 4.41Å; K179-Q183 WeakPolarHBondContact O-CB 3.06Å; K179-Q183 PolarHBondContact O-N 3.05Å; K179-I189 HydrophobicContact CB-CG2 4.4Å; K179-I189 VanDerWaalsContact CE-O 3.29Å; K179-I189 WeakPolarHBondContact CE-O 3.29Å; K179-I189 HydrophobicContact CG-CB 4.28Å; K179-I189 HydrophobicContact CG-CG2 4.36Å; K179-I189 PolarHBondContact NZ-O 3.32Å; K179-V191 HydrophobicContact CB-CG2 4.03Å; K179-V191 HydrophobicContact CD-CG2 4.17Å
180K97.8Very high98.1Very high82 Ų8251.3 Ų51.336%0.35726%0.262SS..Hα-helixtrans-63.8-41.4174.8-70.6175.3172.6-173.30112.6F29 E31 S176 E177 L178F29-K180 HydrophobicContact CE1-CD 4.26Å; F29-K180 HydrophobicContact CE1-CG 4.44Å; F29-K180 HydrophobicContact CE2-CB 3.98Å; F29-K180 HydrophobicContact CZ-CB 4.03Å; F29-K180 HydrophobicContact CZ-CD 4.37Å; F29-K180 HydrophobicContact CZ-CG 4.11Å; E31-K180 IonicContact OE1-NZ 3.29Å; E31-K180 PolarHBondContact OE1-NZ 2.78Å; E31-K180 VanDerWaalsContact OE1-NZ 3.17Å; S176-K180 WeakPolarHBondContact O-CG 3.05Å; S176-K180 PolarHBondContact O-N 2.92Å; E177-K180 WeakPolarHBondContact O-CA 3.33Å; E177-K180 WeakPolarHBondContact O-CB 3.42Å; E177-K180 PolarHBondContact O-N 3.33Å; L178-K180 VanDerWaalsContact C-N 3.3Å; L178-K180 PolarHBondContact O-N 2.84Å
181L98.7Very high98.2Very high0 Ų048.6 Ų48.60%025%0.249CC..Hα-helixtrans-68-39.5-177.7-68.7175.8000112.2V6 V22 N25 I26 Y32 V88 E177 L178V6-L181 HydrophobicContact CG2-CD1 4.18Å; V6-L181 HydrophobicContact CG2-CD2 3.92Å; V22-L181 HydrophobicContact CG1-CD2 4.47Å; N25-L181 WeakPolarHBondContact CB-O 3.39Å; N25-L181 PolarHBondContact ND2-O 3.46Å; I26-L181 HydrophobicContact CG2-CD2 3.57Å; Y32-L181 HydrophobicContact CD1-CD2 4.47Å; Y32-L181 HydrophobicContact CE1-CD2 3.89Å; Y32-L181 HydrophobicContact CE2-CD2 4.07Å; V88-L181 HydrophobicContact CB-CD1 4.4Å; V88-L181 HydrophobicContact CG1-CD1 3.98Å; V88-L181 HydrophobicContact CG2-CD1 4.22Å; E177-L181 HydrophobicContact CG-CD1 4.29Å; E177-L181 WeakPolarHBondContact O-CG 3.35Å; E177-L181 PolarHBondContact O-N 3.45Å; L178-L181 PolarHBondContact O-N 2.98Å; L178-L181 VanDerWaalsContact O-N 3.11Å
182F98.7Very high98.3Very high0 Ų047.1 Ų47.10%024%0.241CC..Hα-helixtrans-97.4-29.4-172.3-74-91.2000114.2I18 I21 I90 I116 L118 L148 I167 L178 F187 I189I18-F182 HydrophobicContact CD1-CD1 3.97Å; I18-F182 HydrophobicContact CD1-CE1 3.83Å; I18-F182 HydrophobicContact CG2-CD1 4.29Å; I18-F182 HydrophobicContact CG2-CE1 3.49Å; I18-F182 VanDerWaalsContact CG2-CE1 3.49Å; I18-F182 HydrophobicContact CG2-CZ 4.15Å; I21-F182 WeakPolarHBondContact CG2-O 3.37Å; I90-F182 HydrophobicContact CD1-CE1 4.48Å; I90-F182 HydrophobicContact CD1-CE2 4.1Å; I90-F182 HydrophobicContact CD1-CZ 3.68Å; I90-F182 HydrophobicContact CG1-CE2 4.4Å; I90-F182 HydrophobicContact CG1-CZ 3.96Å; I90-F182 HydrophobicContact CG2-CZ 4.05Å; I116-F182 HydrophobicContact CD1-CE2 4.14Å; I116-F182 HydrophobicContact CD1-CZ 4.32Å; I116-F182 HydrophobicContact CG2-CE2 4.12Å; I116-F182 HydrophobicContact CG2-CZ 4.01Å; L118-F182 HydrophobicContact CD1-CE1 4.47Å; L118-F182 HydrophobicContact CD1-CZ 4.25Å; L118-F182 HydrophobicContact CD2-CE1 4.01Å; L148-F182 HydrophobicContact CD1-CD1 3.68Å; L148-F182 HydrophobicContact CD1-CE1 3.88Å; L148-F182 HydrophobicContact CD1-CG 4.06Å; L148-F182 HydrophobicContact CD1-CZ 4.45Å; I167-F182 HydrophobicContact CD1-CD2 4.27Å; L178-F182 HydrophobicContact CD2-CD2 4.29Å; L178-F182 HydrophobicContact CD2-CE2 3.78Å; L178-F182 VanDerWaalsContact O-CD2 3.27Å; L178-F182 WeakPolarHBondContact O-CD2 3.42Å; L178-F182 PolarHBondContact O-N 3Å; F182-F187 HydrophobicContact CB-CE1 4.36Å; F182-F187 HydrophobicContact CD1-CE1 4.15Å; F182-F187 VanDerWaalsContact O-CD1 3.32Å; F182-F187 WeakPolarHBondContact O-CD1 3.16Å; F182-I189 HydrophobicContact CB-CD1 3.93Å; F182-I189 HydrophobicContact CB-CG1 3.8Å
183Q98.4Very high98.3Very high49 Ų4948.1 Ų48.123%0.22924%0.235CC..  trans-74133.3-170.1-174.1172.2-99.500113.3N25 K179 F187 R188 I189N25-Q183 PolarHBondContact ND2-O 3.45Å; N25-Q183 PolarHBondContact OD1-O 2.96Å; K179-Q183 HydrophobicContact CG-CB 4.41Å; K179-Q183 WeakPolarHBondContact O-CB 3.06Å; K179-Q183 PolarHBondContact O-N 3.05Å; Q183-F187 WeakPolarHBondContact CA-O 3.43Å; Q183-R188 VanDerWaalsContact OE1-CZ 3.25Å; Q183-I189 HydrophobicContact CB-CB 4.43Å; Q183-I189 HydrophobicContact CB-CG1 4.1Å
184T98.3Very high98.3Very high13 Ų1340.8 Ų40.88%0.0820%0.203CC..  trans-131.5-172.3168700000109.8I21 Y186 F187 R188I21-T184 HydrophobicContact CG2-CG2 3.95Å; T184-Y186 VanDerWaalsContact C-N 3.3Å; T184-Y186 HydrophobicContact CG2-CE1 4.25Å; T184-Y186 WeakPolarHBondContact OG1-CD1 3.31Å; T184-Y186 WeakPolarHBondContact OG1-CE1 3.39Å; T184-Y186 PolarHBondContact OG1-N 3.32Å; T184-F187 PolarHBondContact N-O 3.21Å; T184-F187 WeakPolarHBondContact OG1-CB 3.45Å; T184-F187 PolarHBondContact OG1-N 2.91Å; T184-R188 VanDerWaalsContact O-CD 3.3Å; T184-R188 WeakPolarHBondContact O-CD 3.24Å; T184-R188 PolarHBondContact O-NH1 2.78Å
185D97.3Very high98.3Very high147 Ų14740 Ų4079%0.78620%0.199SC*.SBendtrans-71.1-29.3174.6-61.4-30.2000111.9
186Y97.8Very high98.2Very high27 Ų2740.1 Ų40.111%0.10620%0.2CC..SBendtrans-102.1-14.3179.761.8-95.9000113.8I21 V157 E160 Y162 C163 T184I21-Y186 HydrophobicContact CD1-CE2 4.32Å; I21-Y186 HydrophobicContact CG1-CE2 4.39Å; V157-Y186 HydrophobicContact CG1-CE2 4.23Å; V157-Y186 WeakPolarHBondContact O-CE2 3.32Å; E160-Y186 HydrophobicContact CB-CD1 3.64Å; E160-Y186 HydrophobicContact CB-CD2 4.17Å; E160-Y186 HydrophobicContact CB-CE1 3.79Å; E160-Y186 HydrophobicContact CB-CE2 4.31Å; E160-Y186 HydrophobicContact CB-CG 3.84Å; E160-Y186 HydrophobicContact CG-CD1 4Å; E160-Y186 HydrophobicContact CG-CE1 3.59Å; E160-Y186 HydrophobicContact CG-CE2 4.23Å; E160-Y186 HydrophobicContact CG-CG 4.48Å; E160-Y186 WeakPolarHBondContact O-CB 3.28Å; Y162-Y186 CarbonylContact C-O 3.59Å; Y162-Y186 VanDerWaalsContact CA-O 3.28Å; Y162-Y186 WeakPolarHBondContact CA-O 3.29Å; C163-Y186 PolarHBondContact N-O 3.18Å; T184-Y186 VanDerWaalsContact C-N 3.3Å; T184-Y186 HydrophobicContact CG2-CE1 4.25Å; T184-Y186 WeakPolarHBondContact OG1-CD1 3.31Å; T184-Y186 WeakPolarHBondContact OG1-CE1 3.39Å; T184-Y186 PolarHBondContact OG1-N 3.32Å
187F98.3Very high98.3Very high0 Ų036.8 Ų36.80%018%0.176CC..EExtended strand (participates in β ladder)trans-122.595.4177.2-170.6-140.2000110.3W14 I18 I21 L148 N152 V157 C163 A165 F182 Q183 T184 I189W14-F187 HydrophobicContact CH2-CE2 4.35Å; W14-F187 AromaticContact CH2-CZ 3.99Å; W14-F187 HydrophobicContact CH2-CZ 3.99Å; W14-F187 HydrophobicContact CZ2-CZ 4.16Å; I18-F187 HydrophobicContact CD1-CE1 4.11Å; I21-F187 HydrophobicContact CD1-CB 4.35Å; I21-F187 HydrophobicContact CD1-CD1 3.59Å; I21-F187 HydrophobicContact CD1-CE1 4.13Å; I21-F187 HydrophobicContact CD1-CG 4.18Å; I21-F187 HydrophobicContact CG2-CD1 4.43Å; L148-F187 HydrophobicContact CD1-CZ 4.33Å; L148-F187 HydrophobicContact CD2-CZ 4.35Å; N152-F187 WeakPolarHBondContact ND2-CE2 3.4Å; V157-F187 HydrophobicContact CG1-CD2 4.41Å; V157-F187 HydrophobicContact CG1-CG 4.38Å; C163-F187 WeakPolarHBondContact O-CA 3.49Å; C163-F187 WeakPolarHBondContact SG-CD2 3.47Å; A165-F187 HydrophobicContact CB-CE2 3.45Å; A165-F187 VanDerWaalsContact CB-CE2 3.45Å; A165-F187 HydrophobicContact CB-CZ 3.58Å; F182-F187 HydrophobicContact CB-CE1 4.36Å; F182-F187 HydrophobicContact CD1-CE1 4.15Å; F182-F187 VanDerWaalsContact O-CD1 3.32Å; F182-F187 WeakPolarHBondContact O-CD1 3.16Å; Q183-F187 WeakPolarHBondContact CA-O 3.43Å; T184-F187 PolarHBondContact N-O 3.21Å; T184-F187 WeakPolarHBondContact OG1-CB 3.45Å; T184-F187 PolarHBondContact OG1-N 2.91Å; F187-I189 HydrophobicContact CD1-CD1 4.12Å; F187-I189 HydrophobicContact CE1-CD1 3.83Å; F187-I189 HydrophobicContact CE2-CD1 4.29Å; F187-I189 HydrophobicContact CZ-CD1 3.93Å
188R98.3Very high98.3Very high86 Ų8636 Ų3633%0.32517%0.173SC..EExtended strand (participates in β ladder)trans-93.1133.1-173.7-60.3-56-60176.8-6.7111.4Y162 C163 E164 A165 Q183 T184Y162-R188 HydrophobicContact CE2-CG 3.63Å; C163-R188 PolarHBondContact O-N 2.76Å; E164-R188 CarbonylContact C-O 3.53Å; E164-R188 VanDerWaalsContact CA-O 3.32Å; E164-R188 WeakPolarHBondContact CA-O 3.41Å; E164-R188 HydrophobicContact CG-CB 4.26Å; A165-R188 PolarHBondContact N-O 3.34Å; Q183-R188 VanDerWaalsContact OE1-CZ 3.25Å; T184-R188 VanDerWaalsContact O-CD 3.3Å; T184-R188 WeakPolarHBondContact O-CD 3.24Å; T184-R188 PolarHBondContact O-NH1 2.78Å
189I98.6Very high98.2Very high3 Ų336 Ų362%0.01517%0.173CC..EExtended strand (participates in β ladder)trans-111.8120.6-174.8-57.8-57.3000110.9L148 A165 I167 K179 F182 Q183 F187 V191L148-I189 HydrophobicContact CD1-CD1 4.3Å; A165-I189 HydrophobicContact CB-CD1 3.88Å; A165-I189 WeakPolarHBondContact O-CA 3Å; I167-I189 HydrophobicContact CB-CG2 4.32Å; I167-I189 HydrophobicContact CD1-CG2 3.53Å; I167-I189 HydrophobicContact CG1-CG2 3.72Å; K179-I189 HydrophobicContact CB-CG2 4.4Å; K179-I189 VanDerWaalsContact CE-O 3.29Å; K179-I189 WeakPolarHBondContact CE-O 3.29Å; K179-I189 HydrophobicContact CG-CB 4.28Å; K179-I189 HydrophobicContact CG-CG2 4.36Å; K179-I189 PolarHBondContact NZ-O 3.32Å; F182-I189 HydrophobicContact CB-CD1 3.93Å; F182-I189 HydrophobicContact CB-CG1 3.8Å; Q183-I189 HydrophobicContact CB-CB 4.43Å; Q183-I189 HydrophobicContact CB-CG1 4.1Å; F187-I189 HydrophobicContact CD1-CD1 4.12Å; F187-I189 HydrophobicContact CE1-CD1 3.83Å; F187-I189 HydrophobicContact CE2-CD1 4.29Å; F187-I189 HydrophobicContact CZ-CD1 3.93Å; I189-V191 HydrophobicContact CG2-CG2 4.03Å
190V98.4Very high98.2Very high48 Ų4832.6 Ų32.629%0.29116%0.158SC..EExtended strand (participates in β ladder)trans-96.1136.5162.9-179.60000108.1A165 T166 I167 I192 E256A165-V190 PolarHBondContact O-N 2.73Å; T166-V190 CarbonylContact C-O 3.6Å; T166-V190 WeakPolarHBondContact CA-O 3.5Å; I167-V190 PolarHBondContact N-O 3.36Å; V190-I192 HydrophobicContact CG1-CG2 3.94Å; V190-E256 WeakPolarHBondContact CG1-OE2 3.26Å
191V98.7Very high98.2Very high51 Ų5128.7 Ų28.731%0.30914%0.141SC..EExtended strand (participates in β ladder)trans-114.4124.8177.5-1770000107.8I167 I169 K179 I189I167-V191 HydrophobicContact CB-CG2 4.32Å; I167-V191 CarbonylContact O-C 3.57Å; I167-V191 WeakPolarHBondContact O-CA 3.48Å; I169-V191 HydrophobicContact CG2-CG1 4.07Å; K179-V191 HydrophobicContact CB-CG2 4.03Å; K179-V191 HydrophobicContact CD-CG2 4.17Å; I189-V191 HydrophobicContact CG2-CG2 4.03Å
192I98.5Very high98.1Very high25 Ų2528.7 Ų28.713%0.12814%0.141CC..EExtended strand (participates in β ladder)trans-126.6164.4177.471.3173.9000110.3T166 I167 G168 I169 V190 D194 T198 T253 E256T166-I192 HydrophobicContact CG2-CD1 3.79Å; T166-I192 HydrophobicContact CG2-CG1 3.87Å; T166-I192 HydrophobicContact CG2-CG2 4.36Å; I167-I192 PolarHBondContact O-N 3.32Å; G168-I192 WeakPolarHBondContact CA-O 3.27Å; I169-I192 PolarHBondContact N-O 3.32Å; V190-I192 HydrophobicContact CG1-CG2 3.94Å; I192-D194 HydrophobicContact CD1-CB 4.19Å; I192-T198 WeakPolarHBondContact CD1-OG1 2.94Å; I192-T253 HydrophobicContact CD1-CG2 3.54Å; I192-T253 WeakPolarHBondContact CD1-OG1 3.31Å; I192-E256 HydrophobicContact CD1-CG 4.42Å; I192-E256 HydrophobicContact CG2-CG 4.43Å
193K98.1Very high98Very high126 Ų12628.7 Ų28.755%0.54814%0.141SC..SBendtrans-80.3-30.3179.4-64.7-176171.7-165.50113.2D170 E195D170-K193 HydrophobicContact CB-CB 4.38Å; D170-K193 WeakPolarHBondContact OD1-CD 3.31Å; D170-K193 WeakPolarHBondContact OD1-CG 3.46Å; D170-K193 IonicContact OD1-NZ 3.25Å; K193-E195 VanDerWaalsContact C-N 3.32Å; K193-E195 PolarHBondContact O-N 2.59Å
194D98.2Very high98Very high7 Ų726.3 Ų26.34%0.03713%0.13CC..  trans-76.980.4-174-179.29.2000111.9I192 V196 A197 T198 P249 Q250 T253I192-D194 HydrophobicContact CD1-CB 4.19Å; D194-V196 PolarHBondContact OD1-N 2.96Å; D194-A197 WeakPolarHBondContact OD1-CB 3.43Å; D194-A197 PolarHBondContact OD1-N 2.87Å; D194-A197 WeakPolarHBondContact OD2-CB 3.07Å; D194-T198 WeakPolarHBondContact O-CB 3.28Å; D194-T198 PolarHBondContact O-N 3.22Å; D194-T198 PolarHBondContact O-OG1 3.33Å; D194-P249 WeakPolarHBondContact OD2-CA 3.49Å; D194-Q250 HydrophobicContact CB-CB 4.21Å; D194-Q250 HydrophobicContact CB-CG 4.05Å; D194-Q250 PolarHBondContact OD2-N 2.9Å; D194-T253 WeakPolarHBondContact CB-OG1 3.43Å; D194-T253 WeakPolarHBondContact OD2-CB 3.49Å; D194-T253 PolarHBondContact OD2-OG1 2.91Å
195E97.3Very high97.9Very high15 Ų1526 Ų267%0.0713%0.127CC..Hα-helixtrans-65.6-40.1176.2-174-168.9127.400112.7T134 R138 V147 K193 T198 E199T134-E195 WeakPolarHBondContact CB-OE1 3.17Å; T134-E195 PolarHBondContact OG1-OE1 3.2Å; R138-E195 IonicContact CZ-OE1 2.8Å; R138-E195 IonicContact CZ-OE2 3.02Å; R138-E195 IonicContact NH1-OE1 2.7Å; R138-E195 PolarHBondContact NH1-OE1 3.29Å; R138-E195 IonicContact NH2-OE1 3.44Å; R138-E195 PolarHBondContact NH2-OE1 3.11Å; R138-E195 IonicContact NH2-OE2 2.62Å; R138-E195 PolarHBondContact NH2-OE2 3.36Å; V147-E195 HydrophobicContact CB-CG 4.12Å; V147-E195 HydrophobicContact CG1-CG 3.65Å; K193-E195 VanDerWaalsContact C-N 3.32Å; K193-E195 PolarHBondContact O-N 2.59Å; E195-T198 WeakPolarHBondContact O-CB 3.11Å; E195-T198 PolarHBondContact O-N 3.02Å; E195-E199 PolarHBondContact O-N 3.09Å
196V97.6Very high97.9Very high5 Ų519.5 Ų19.53%0.039%0.092CC..Hα-helixtrans-67.4-47.9-171.9171.60000111L132 D194 T198 E199 L200 F244 R247L132-V196 HydrophobicContact CD1-CB 4.25Å; L132-V196 HydrophobicContact CD1-CG1 4.02Å; L132-V196 HydrophobicContact CD1-CG2 3.77Å; D194-V196 PolarHBondContact OD1-N 2.96Å; V196-T198 VanDerWaalsContact C-N 3.32Å; V196-E199 PolarHBondContact O-N 3.05Å; V196-L200 HydrophobicContact CG1-CD1 3.6Å; V196-L200 WeakPolarHBondContact O-CB 3.38Å; V196-L200 WeakPolarHBondContact O-CG 3.37Å; V196-L200 PolarHBondContact O-N 3.28Å; V196-F244 HydrophobicContact CG1-CB 3.73Å; V196-F244 HydrophobicContact CG1-CD1 3.78Å; V196-F244 HydrophobicContact CG1-CG 3.87Å; V196-R247 HydrophobicContact CB-CB 4.11Å; V196-R247 HydrophobicContact CG1-CB 4.16Å; V196-R247 HydrophobicContact CG2-CB 3.73Å; V196-R247 HydrophobicContact CG2-CG 4.08Å
197A98.5Very high97.9Very high0 Ų018.2 Ų18.20%09%0.087CC..Hα-helixtrans-69.9-33.4176.100000111.6D194 E199 L200 C201 I240 P249 T253 F254D194-A197 WeakPolarHBondContact OD1-CB 3.43Å; D194-A197 PolarHBondContact OD1-N 2.87Å; D194-A197 WeakPolarHBondContact OD2-CB 3.07Å; A197-E199 VanDerWaalsContact C-N 3.34Å; A197-E199 PolarHBondContact O-N 3.01Å; A197-L200 PolarHBondContact O-N 2.92Å; A197-C201 VanDerWaalsContact O-CB 3.24Å; A197-C201 WeakPolarHBondContact O-CB 3.4Å; A197-C201 PolarHBondContact O-N 3.22Å; A197-C201 PolarHBondContact O-SG 3.42Å; A197-I240 HydrophobicContact CB-CD1 4.26Å; A197-I240 HydrophobicContact CB-CG2 3.97Å; A197-P249 HydrophobicContact CB-CB 4Å; A197-T253 HydrophobicContact CB-CG2 3.78Å; A197-F254 HydrophobicContact CB-CZ 4.4Å
198T98.7Very high97.9Very high0 Ų018.2 Ų18.20%09%0.087CC..Hα-helixtrans-56-50.3174.2-60.40000110.4V147 M149 T166 I192 D194 E195 V196 G202 C258V147-T198 HydrophobicContact CG1-CG2 3.6Å; M149-T198 HydrophobicContact CB-CG2 3.88Å; M149-T198 HydrophobicContact CG-CG2 4.01Å; M149-T198 VanDerWaalsContact CG-O 3.24Å; M149-T198 WeakPolarHBondContact CG-O 3.3Å; T166-T198 HydrophobicContact CG2-CG2 4.24Å; I192-T198 WeakPolarHBondContact CD1-OG1 2.94Å; D194-T198 WeakPolarHBondContact O-CB 3.28Å; D194-T198 PolarHBondContact O-N 3.22Å; D194-T198 PolarHBondContact O-OG1 3.33Å; E195-T198 WeakPolarHBondContact O-CB 3.11Å; E195-T198 PolarHBondContact O-N 3.02Å; V196-T198 VanDerWaalsContact C-N 3.32Å; T198-G202 PolarHBondContact O-N 2.62Å; T198-C258 HydrophobicContact CG2-CB 3.91Å
199E98.2Very high97.9Very high0 Ų014.1 Ų14.10%07%0.072CC..Hα-helixtrans-65.8-48.1-179.4-172.3167.2-178.700112.7L132 L133 T134 V147 M149 E195 V196 A197 C201 G202 A203L132-E199 HydrophobicContact CD2-CG 4.39Å; L133-E199 WeakPolarHBondContact CA-OE1 3.48Å; L133-E199 WeakPolarHBondContact CB-OE1 3.33Å; L133-E199 PolarHBondContact N-OE1 3.41Å; T134-E199 VanDerWaalsContact CB-OE2 3.31Å; T134-E199 WeakPolarHBondContact CB-OE2 3.42Å; T134-E199 WeakPolarHBondContact CG2-OE2 3.48Å; T134-E199 PolarHBondContact N-OE1 3.47Å; T134-E199 VanDerWaalsContact N-OE1 3.11Å; T134-E199 PolarHBondContact OG1-OE2 3.2Å; V147-E199 HydrophobicContact CB-CB 4.44Å; V147-E199 HydrophobicContact CG1-CB 4.27Å; V147-E199 HydrophobicContact CG2-CB 3.94Å; V147-E199 HydrophobicContact CG2-CG 4.06Å; M149-E199 HydrophobicContact CE-CG 4.08Å; E195-E199 PolarHBondContact O-N 3.09Å; V196-E199 PolarHBondContact O-N 3.05Å; A197-E199 VanDerWaalsContact C-N 3.34Å; A197-E199 PolarHBondContact O-N 3.01Å; E199-C201 VanDerWaalsContact C-N 3.34Å; E199-C201 PolarHBondContact O-N 2.73Å; E199-G202 PolarHBondContact O-N 2.78Å; E199-G202 VanDerWaalsContact O-N 3.14Å; E199-A203 PolarHBondContact O-N 3.22Å; E199-A203 VanDerWaalsContact O-N 3.07Å
200L98.3Very high97.9Very high0 Ų014 Ų140%07%0.071CC..Hα-helixtrans-65.4-36.3-178.5-74.6163.3000112.1L122 L132 V196 A197 G202 A203 L204 I240 F244L122-L200 HydrophobicContact CD2-CD2 3.72Å; L132-L200 HydrophobicContact CD2-CD1 4.25Å; L132-L200 HydrophobicContact CD2-CD2 3.82Å; L132-L200 HydrophobicContact CD2-CG 3.77Å; V196-L200 HydrophobicContact CG1-CD1 3.6Å; V196-L200 WeakPolarHBondContact O-CB 3.38Å; V196-L200 WeakPolarHBondContact O-CG 3.37Å; V196-L200 PolarHBondContact O-N 3.28Å; A197-L200 PolarHBondContact O-N 2.92Å; L200-G202 VanDerWaalsContact C-N 3.32Å; L200-G202 PolarHBondContact O-N 3.42Å; L200-A203 PolarHBondContact O-N 2.89Å; L200-L204 HydrophobicContact CB-CD1 4.26Å; L200-L204 VanDerWaalsContact O-CB 3.32Å; L200-L204 WeakPolarHBondContact O-CB 3.26Å; L200-L204 VanDerWaalsContact O-CG 3.24Å; L200-L204 WeakPolarHBondContact O-CG 3.36Å; L200-L204 PolarHBondContact O-N 2.61Å; L200-I240 HydrophobicContact CB-CD1 3.5Å; L200-I240 HydrophobicContact CB-CG1 3.58Å; L200-I240 HydrophobicContact CD1-CB 4.39Å; L200-I240 HydrophobicContact CD1-CD1 4.49Å; L200-I240 HydrophobicContact CD1-CG1 3.8Å; L200-I240 HydrophobicContact CD1-CG2 4.15Å; L200-I240 HydrophobicContact CG-CG1 4.26Å; L200-F244 HydrophobicContact CD1-CB 4.34Å; L200-F244 HydrophobicContact CD1-CD1 4.24Å; L200-F244 HydrophobicContact CD1-CD2 3.42Å; L200-F244 VanDerWaalsContact CD1-CD2 3.42Å; L200-F244 HydrophobicContact CD1-CE1 4.44Å; L200-F244 HydrophobicContact CD1-CE2 3.67Å; L200-F244 HydrophobicContact CD1-CG 3.74Å; L200-F244 HydrophobicContact CD1-CZ 4.18Å; L200-F244 HydrophobicContact CD2-CE2 4.06Å; L200-F244 HydrophobicContact CD2-CZ 4.38Å
201C98.4Very high97.9Very high0 Ų011.7 Ų11.70%06%0.057CC..Hα-helixtrans-59.2-45.3172.3-77.70000111.3A197 E199 A203 K205 M236 C258A197-C201 VanDerWaalsContact O-CB 3.24Å; A197-C201 WeakPolarHBondContact O-CB 3.4Å; A197-C201 PolarHBondContact O-N 3.22Å; A197-C201 PolarHBondContact O-SG 3.42Å; E199-C201 VanDerWaalsContact C-N 3.34Å; E199-C201 PolarHBondContact O-N 2.73Å; C201-A203 VanDerWaalsContact C-N 3.29Å; C201-A203 PolarHBondContact O-N 3.48Å; C201-K205 WeakPolarHBondContact O-CB 3.47Å; C201-K205 PolarHBondContact O-N 3Å; C201-M236 HydrophobicContact CB-CE 4.11Å; C201-M236 WeakPolarHBondContact O-CE 3.42Å; C201-C258 VanDerWaalsContact CB-O 3.27Å; C201-C258 WeakPolarHBondContact CB-O 3.16Å
202G96Very high97.9Very high0 Ų09.2 Ų9.20%04%0.042CC..Hα-helixtrans-61.8-33.6177.100000113.9T198 E199 L200 K205T198-G202 PolarHBondContact O-N 2.62Å; E199-G202 PolarHBondContact O-N 2.78Å; E199-G202 VanDerWaalsContact O-N 3.14Å; L200-G202 VanDerWaalsContact C-N 3.32Å; L200-G202 PolarHBondContact O-N 3.42Å; G202-K205 WeakPolarHBondContact O-CE 3.39Å; G202-K205 WeakPolarHBondContact O-CG 2.95Å
203A95.6Very high97.9Very high0 Ų08 Ų80%04%0.036CC..Hα-helixtrans-80.7-56.3177.900000112.8L122 E199 L200 C201 K205 N206 T304L122-A203 HydrophobicContact CD1-CB 4.36Å; L122-A203 HydrophobicContact CD2-CB 3.83Å; L122-A203 HydrophobicContact CG-CB 3.8Å; E199-A203 PolarHBondContact O-N 3.22Å; E199-A203 VanDerWaalsContact O-N 3.07Å; L200-A203 PolarHBondContact O-N 2.89Å; C201-A203 VanDerWaalsContact C-N 3.29Å; C201-A203 PolarHBondContact O-N 3.48Å; A203-K205 VanDerWaalsContact C-N 3.31Å; A203-K205 PolarHBondContact O-N 3.36Å; A203-N206 WeakPolarHBondContact O-CB 3.41Å; A203-N206 PolarHBondContact O-N 2.84Å; A203-N206 VanDerWaalsContact O-N 3.15Å; A203-N206 PolarHBondContact O-ND2 3.25Å; A203-T304 HydrophobicContact CB-CG2 4.37Å
204L98.1Very high97.9Very high0 Ų02 Ų20%01%0.01CC..Hα-helixtrans-66.7-29.2-170.1-63.5172.1000113L122 L200 N206 I207 M236 F239 I240 V308 F324L122-L204 HydrophobicContact CD1-CD2 4.42Å; L200-L204 HydrophobicContact CB-CD1 4.26Å; L200-L204 VanDerWaalsContact O-CB 3.32Å; L200-L204 WeakPolarHBondContact O-CB 3.26Å; L200-L204 VanDerWaalsContact O-CG 3.24Å; L200-L204 WeakPolarHBondContact O-CG 3.36Å; L200-L204 PolarHBondContact O-N 2.61Å; L204-N206 PolarHBondContact O-N 3.03Å; L204-I207 HydrophobicContact CD2-CD1 4.17Å; L204-I207 WeakPolarHBondContact O-CB 3.36Å; L204-I207 PolarHBondContact O-N 3.07Å; L204-M236 HydrophobicContact CB-CB 4.46Å; L204-M236 HydrophobicContact CB-CE 4.42Å; L204-M236 HydrophobicContact CB-CG 3.73Å; L204-M236 HydrophobicContact CD1-CB 4.39Å; L204-M236 HydrophobicContact CD1-CG 4.49Å; L204-F239 HydrophobicContact CD1-CB 4.23Å; L204-F239 HydrophobicContact CD1-CD1 3.72Å; L204-F239 HydrophobicContact CD1-CG 4.17Å; L204-F239 HydrophobicContact CD2-CD1 4.28Å; L204-F239 HydrophobicContact CD2-CE1 4.46Å; L204-I240 HydrophobicContact CD1-CD1 4.37Å; L204-I240 HydrophobicContact CD1-CG1 4.05Å; L204-V308 HydrophobicContact CD2-CG2 3.55Å; L204-F324 HydrophobicContact CB-CZ 4.27Å; L204-F324 HydrophobicContact CD2-CE2 4.28Å; L204-F324 HydrophobicContact CD2-CZ 4.49Å
205K97.2Very high97.9Very high7 Ų71.7 Ų1.73%0.031%0.009CC..Hα-helixtrans-54.8-29.2175.175.1-173.8-178.8107.40112.8C201 G202 A203 I207 V208 A209 M236 D262 L263 T266C201-K205 WeakPolarHBondContact O-CB 3.47Å; C201-K205 PolarHBondContact O-N 3Å; G202-K205 WeakPolarHBondContact O-CE 3.39Å; G202-K205 WeakPolarHBondContact O-CG 2.95Å; A203-K205 VanDerWaalsContact C-N 3.31Å; A203-K205 PolarHBondContact O-N 3.36Å; K205-I207 VanDerWaalsContact C-N 3.25Å; K205-I207 PolarHBondContact O-N 3.46Å; K205-V208 PolarHBondContact O-N 3.14Å; K205-A209 WeakPolarHBondContact O-CB 3.23Å; K205-A209 PolarHBondContact O-N 3.44Å; K205-M236 HydrophobicContact CB-CE 4.02Å; K205-M236 HydrophobicContact CB-SD 4.28Å; K205-D262 HydrophobicContact CD-CB 3.92Å; K205-D262 VanDerWaalsContact CD-OD2 3.31Å; K205-D262 WeakPolarHBondContact CD-OD2 3.5Å; K205-D262 WeakPolarHBondContact CE-OD1 3.4Å; K205-D262 WeakPolarHBondContact CE-OD2 3.45Å; K205-D262 IonicContact NZ-OD1 2.99Å; K205-D262 PolarHBondContact NZ-OD1 3.41Å; K205-D262 IonicContact NZ-OD2 2.73Å; K205-D262 PolarHBondContact NZ-OD2 3.21Å; K205-L263 HydrophobicContact CB-CB 4.32Å; K205-L263 HydrophobicContact CB-CD1 3.82Å; K205-T266 PolarHBondContact NZ-OG1 3.06Å
206N96.4Very high97.9Very high9 Ų93.8 Ų3.85%0.0482%0.018CC..Hα-helixtrans-65.6-32.8-178.7-69.1-34000111.2A203 L204 A209 V210 N272A203-N206 WeakPolarHBondContact O-CB 3.41Å; A203-N206 PolarHBondContact O-N 2.84Å; A203-N206 VanDerWaalsContact O-N 3.15Å; A203-N206 PolarHBondContact O-ND2 3.25Å; L204-N206 PolarHBondContact O-N 3.03Å; N206-A209 PolarHBondContact O-N 3.44Å; N206-V210 WeakPolarHBondContact O-CG2 3.33Å; N206-V210 PolarHBondContact O-N 2.94Å; N206-N272 WeakPolarHBondContact CB-ND2 3.43Å; N206-N272 VanDerWaalsContact CG-ND2 3.31Å; N206-N272 PolarHBondContact OD1-ND2 2.83Å
207I98.3Very high97.9Very high0 Ų04.6 Ų4.60%03%0.027CC..Hα-helixtrans-66-48.3173.9-53.8175.7000109.4L204 K205 A209 V210 A211 T304 A305 V308 F324 V327L204-I207 HydrophobicContact CD2-CD1 4.17Å; L204-I207 WeakPolarHBondContact O-CB 3.36Å; L204-I207 PolarHBondContact O-N 3.07Å; K205-I207 VanDerWaalsContact C-N 3.25Å; K205-I207 PolarHBondContact O-N 3.46Å; I207-A209 VanDerWaalsContact C-N 3.26Å; I207-A209 PolarHBondContact O-N 3.17Å; I207-V210 WeakPolarHBondContact O-CB 3.42Å; I207-V210 PolarHBondContact O-N 3.12Å; I207-V210 VanDerWaalsContact O-N 3.08Å; I207-A211 PolarHBondContact O-N 3.07Å; I207-A211 VanDerWaalsContact O-N 3.09Å; I207-T304 HydrophobicContact CD1-CG2 3.9Å; I207-T304 HydrophobicContact CG1-CG2 4.04Å; I207-A305 HydrophobicContact CD1-CB 4.33Å; I207-A305 HydrophobicContact CG1-CB 4.11Å; I207-A305 HydrophobicContact CG2-CB 4.12Å; I207-V308 HydrophobicContact CD1-CB 4.06Å; I207-V308 HydrophobicContact CD1-CG1 4.44Å; I207-V308 HydrophobicContact CD1-CG2 3.78Å; I207-F324 HydrophobicContact CB-CD1 4.08Å; I207-F324 HydrophobicContact CB-CE1 4.29Å; I207-F324 HydrophobicContact CD1-CD1 4.29Å; I207-F324 HydrophobicContact CD1-CG 4.34Å; I207-F324 HydrophobicContact CG2-CB 4.36Å; I207-F324 HydrophobicContact CG2-CD1 3.6Å; I207-F324 HydrophobicContact CG2-CE1 4.28Å; I207-F324 HydrophobicContact CG2-CG 4.25Å; I207-V327 HydrophobicContact CG2-CB 3.8Å; I207-V327 HydrophobicContact CG2-CG1 3.82Å; I207-V327 HydrophobicContact CG2-CG2 4.05Å
208V98.7Very high97.9Very high0 Ų06.9 Ų6.90%04%0.039CC..Hα-helixtrans-63.1-34178.8-1710000111.7K205 V210 A211 A212 V228 M236 L263 F324K205-V208 PolarHBondContact O-N 3.14Å; V208-V210 VanDerWaalsContact C-N 3.35Å; V208-V210 PolarHBondContact O-N 3.29Å; V208-A211 WeakPolarHBondContact O-CB 3.09Å; V208-A211 PolarHBondContact O-N 3.36Å; V208-A212 PolarHBondContact O-N 3.23Å; V208-V228 HydrophobicContact CG1-CG1 4.17Å; V208-M236 HydrophobicContact CG2-CG 4.22Å; V208-M236 HydrophobicContact CG2-SD 3.98Å; V208-L263 HydrophobicContact CB-CD1 3.63Å; V208-L263 HydrophobicContact CG1-CD1 3.74Å; V208-L263 HydrophobicContact CG2-CD1 4.13Å; V208-F324 HydrophobicContact CG2-CE1 3.81Å
209A98.4Very high97.9Very high0 Ų010 Ų100%07%0.072CC..Hα-helixtrans-65.8-35.4174.500000112.9K205 N206 I207 A212 G213 T266 N272 K273K205-A209 WeakPolarHBondContact O-CB 3.23Å; K205-A209 PolarHBondContact O-N 3.44Å; N206-A209 PolarHBondContact O-N 3.44Å; I207-A209 VanDerWaalsContact C-N 3.26Å; I207-A209 PolarHBondContact O-N 3.17Å; A209-A212 PolarHBondContact O-N 3.26Å; A209-G213 PolarHBondContact O-N 3.42Å; A209-T266 HydrophobicContact CB-CG2 3.56Å; A209-T266 WeakPolarHBondContact CB-O 3.46Å; A209-N272 HydrophobicContact CB-CB 3.67Å; A209-K273 WeakPolarHBondContact O-CA 3.24Å
210V98.6Very high97.8Very high0 Ų014.3 Ų14.30%09%0.089CC..Hα-helixtrans-63.7-46.5170.1179.20000110N206 I207 V208 A212 G213 V214 N272 G276 L279 V327N206-V210 WeakPolarHBondContact O-CG2 3.33Å; N206-V210 PolarHBondContact O-N 2.94Å; I207-V210 WeakPolarHBondContact O-CB 3.42Å; I207-V210 PolarHBondContact O-N 3.12Å; I207-V210 VanDerWaalsContact O-N 3.08Å; V208-V210 VanDerWaalsContact C-N 3.35Å; V208-V210 PolarHBondContact O-N 3.29Å; V210-A212 VanDerWaalsContact C-N 3.31Å; V210-A212 PolarHBondContact O-N 3.07Å; V210-G213 CarbonylContact O-C 3.46Å; V210-G213 WeakPolarHBondContact O-CA 3.24Å; V210-G213 PolarHBondContact O-N 3.15Å; V210-V214 HydrophobicContact CG1-CG2 4.4Å; V210-V214 WeakPolarHBondContact O-CG2 3.32Å; V210-V214 PolarHBondContact O-N 3.27Å; V210-N272 WeakPolarHBondContact CA-O 3.27Å; V210-N272 HydrophobicContact CG2-CB 3.93Å; V210-G276 WeakPolarHBondContact O-CA 3.13Å; V210-L279 HydrophobicContact CG1-CD1 3.78Å; V210-V327 HydrophobicContact CB-CG1 3.86Å; V210-V327 HydrophobicContact CG1-CG1 3.76Å; V210-V327 HydrophobicContact CG2-CG1 4.5Å
211A98.8Very high97.6Very high0 Ų016.4 Ų16.40%011%0.111CC..Hα-helixtrans-57-42175.900000113I207 V208 G213 V214 I215 V228 I323 V327 F340I207-A211 PolarHBondContact O-N 3.07Å; I207-A211 VanDerWaalsContact O-N 3.09Å; V208-A211 WeakPolarHBondContact O-CB 3.09Å; V208-A211 PolarHBondContact O-N 3.36Å; A211-G213 VanDerWaalsContact C-N 3.3Å; A211-G213 PolarHBondContact O-N 3.05Å; A211-V214 PolarHBondContact O-N 3.08Å; A211-I215 PolarHBondContact O-N 3.04Å; A211-I215 VanDerWaalsContact O-N 3.15Å; A211-V228 HydrophobicContact CB-CG1 3.63Å; A211-I323 HydrophobicContact CB-CG2 3.68Å; A211-V327 HydrophobicContact CB-CG2 3.79Å; A211-F340 HydrophobicContact CB-CE1 4.08Å; A211-F340 HydrophobicContact CB-CE2 4.39Å; A211-F340 HydrophobicContact CB-CZ 3.48Å; A211-F340 VanDerWaalsContact CB-CZ 3.48Å
212A98.6Very high97.5Very high0 Ų021 Ų210%014%0.135CC..Hα-helixtrans-63.6-37.7175.900000111.7V208 A209 V210 I215 E216 K225 V228 C267V208-A212 PolarHBondContact O-N 3.23Å; A209-A212 PolarHBondContact O-N 3.26Å; V210-A212 VanDerWaalsContact C-N 3.31Å; V210-A212 PolarHBondContact O-N 3.07Å; A212-I215 VanDerWaalsContact O-CD1 3.31Å; A212-I215 WeakPolarHBondContact O-CD1 3.3Å; A212-I215 WeakPolarHBondContact O-CG1 3.39Å; A212-E216 PolarHBondContact O-N 3.13Å; A212-K225 HydrophobicContact CB-CG 4.27Å; A212-V228 HydrophobicContact CB-CG1 4.34Å; A212-C267 HydrophobicContact CB-CB 3.77Å
213G98.2Very high97.6Very high0 Ų028.1 Ų28.10%017%0.173CC..Hα-helixtrans-64.9-40.9171.500000113.2A209 V210 A211 I215 E216 G217 K273 G276 I277A209-G213 PolarHBondContact O-N 3.42Å; V210-G213 CarbonylContact O-C 3.46Å; V210-G213 WeakPolarHBondContact O-CA 3.24Å; V210-G213 PolarHBondContact O-N 3.15Å; A211-G213 VanDerWaalsContact C-N 3.3Å; A211-G213 PolarHBondContact O-N 3.05Å; G213-I215 PolarHBondContact O-N 2.63Å; G213-E216 PolarHBondContact O-N 2.71Å; G213-G217 PolarHBondContact O-N 3Å; G213-K273 VanDerWaalsContact CA-O 3.31Å; G213-K273 WeakPolarHBondContact CA-O 3.48Å; G213-G276 CarbonylContact O-C 3.56Å; G213-I277 WeakPolarHBondContact O-CA 3.39Å; G213-I277 VanDerWaalsContact O-CG1 3.26Å; G213-I277 WeakPolarHBondContact O-CG1 3.3Å; G213-I277 PolarHBondContact O-N 3.38Å
214V98.6Very high97.7Very high0 Ų029.6 Ų29.60%018%0.182CC..Hα-helixtrans-59.8-48.4179.4170.30000110.8V210 A211 E216 G217 L218 G276 A280 L330 F340V210-V214 HydrophobicContact CG1-CG2 4.4Å; V210-V214 WeakPolarHBondContact O-CG2 3.32Å; V210-V214 PolarHBondContact O-N 3.27Å; A211-V214 PolarHBondContact O-N 3.08Å; V214-E216 VanDerWaalsContact C-N 3.25Å; V214-E216 PolarHBondContact O-N 3.39Å; V214-G217 PolarHBondContact O-N 2.95Å; V214-L218 HydrophobicContact CG1-CD1 3.97Å; V214-L218 VanDerWaalsContact O-CG 3.28Å; V214-L218 WeakPolarHBondContact O-CG 3.32Å; V214-L218 PolarHBondContact O-N 3.37Å; V214-G276 WeakPolarHBondContact CA-O 3.33Å; V214-G276 WeakPolarHBondContact CG2-O 3.4Å; V214-A280 HydrophobicContact CG1-CB 4.31Å; V214-A280 WeakPolarHBondContact O-CB 3.23Å; V214-L330 HydrophobicContact CG1-CD1 4.02Å; V214-L330 HydrophobicContact CG2-CD1 3.89Å; V214-F340 HydrophobicContact CG1-CB 4.09Å; V214-F340 HydrophobicContact CG1-CD1 4.14Å; V214-F340 HydrophobicContact CG1-CD2 4.3Å; V214-F340 HydrophobicContact CG1-CG 3.9Å
215I98Very high97.6Very high0 Ų030.1 Ų30.10%019%0.185CC..Hα-helixtrans-65.1-31.6179.864.969.2000112.5A211 A212 G213 L218 G219 Y220 T224 K225 V228 F340 L344A211-I215 PolarHBondContact O-N 3.04Å; A211-I215 VanDerWaalsContact O-N 3.15Å; A212-I215 VanDerWaalsContact O-CD1 3.31Å; A212-I215 WeakPolarHBondContact O-CD1 3.3Å; A212-I215 WeakPolarHBondContact O-CG1 3.39Å; G213-I215 PolarHBondContact O-N 2.63Å; I215-L218 PolarHBondContact O-N 3.22Å; I215-G219 PolarHBondContact O-N 3.41Å; I215-Y220 HydrophobicContact CB-CD2 4.3Å; I215-Y220 WeakPolarHBondContact O-CB 3.44Å; I215-Y220 PolarHBondContact O-N 2.68Å; I215-T224 HydrophobicContact CB-CG2 4.18Å; I215-T224 HydrophobicContact CG1-CG2 4.47Å; I215-T224 HydrophobicContact CG2-CG2 4.21Å; I215-K225 HydrophobicContact CD1-CB 3.74Å; I215-K225 HydrophobicContact CD1-CG 4.01Å; I215-V228 HydrophobicContact CB-CG2 4.46Å; I215-V228 HydrophobicContact CG1-CG2 3.9Å; I215-V228 HydrophobicContact CG2-CG2 3.71Å; I215-F340 HydrophobicContact CG2-CD1 3.69Å; I215-F340 HydrophobicContact CG2-CE1 3.85Å; I215-L344 HydrophobicContact CG2-CD1 4.32Å
216E97.4Very high97.7Very high59 Ų5932.1 Ų32.128%0.27620%0.202SC..Hα-helixtrans-72.2-42.8177.9-175.8170.5132.200110.1A212 G213 V214 L218 G219 K225 K273 I277A212-E216 PolarHBondContact O-N 3.13Å; G213-E216 PolarHBondContact O-N 2.71Å; V214-E216 VanDerWaalsContact C-N 3.25Å; V214-E216 PolarHBondContact O-N 3.39Å; E216-L218 PolarHBondContact O-N 3.15Å; E216-G219 PolarHBondContact O-N 2.58Å; E216-K225 WeakPolarHBondContact OE2-CE 3.38Å; E216-K225 IonicContact OE2-NZ 2.75Å; E216-K225 PolarHBondContact OE2-NZ 3.46Å; E216-K273 VanDerWaalsContact CD-NZ 3.27Å; E216-K273 WeakPolarHBondContact OE1-CE 3.45Å; E216-K273 IonicContact OE1-NZ 2.77Å; E216-K273 PolarHBondContact OE1-NZ 3.15Å; E216-K273 WeakPolarHBondContact OE2-CE 3.47Å; E216-K273 IonicContact OE2-NZ 3.35Å; E216-K273 PolarHBondContact OE2-NZ 3.27Å; E216-I277 HydrophobicContact CB-CG1 4.32Å; E216-I277 HydrophobicContact CG-CD1 4.34Å
217G97.5Very high97.7Very high21 Ų2133.5 Ų33.522%0.21622%0.215CC..Hα-helixtrans-64.7-26.2174.600000113.7G213 V214 G219 T281G213-G217 PolarHBondContact O-N 3Å; V214-G217 PolarHBondContact O-N 2.95Å; G217-G219 PolarHBondContact O-N 2.87Å; G217-T281 WeakPolarHBondContact O-CG2 3.27Å
218L98.1Very high97.7Very high48 Ų4833.5 Ų33.525%0.25122%0.215SC..THydrogen-bonded Turntrans-79.2-3.6171.3-68.6171000113.6V214 I215 E216 Y220 A280 P337 F340V214-L218 HydrophobicContact CG1-CD1 3.97Å; V214-L218 VanDerWaalsContact O-CG 3.28Å; V214-L218 WeakPolarHBondContact O-CG 3.32Å; V214-L218 PolarHBondContact O-N 3.37Å; I215-L218 PolarHBondContact O-N 3.22Å; E216-L218 PolarHBondContact O-N 3.15Å; L218-Y220 HydrophobicContact CB-CD2 3.72Å; L218-Y220 HydrophobicContact CB-CE2 3.84Å; L218-Y220 HydrophobicContact CD1-CD2 4.43Å; L218-Y220 HydrophobicContact CD1-CE2 4.12Å; L218-A280 HydrophobicContact CD2-CB 4.24Å; L218-A280 HydrophobicContact CG-CB 4.01Å; L218-P337 WeakPolarHBondContact CD1-O 3.38Å; L218-P337 HydrophobicContact CD2-CB 3.94Å; L218-F340 HydrophobicContact CD1-CB 4.36Å
219G97.7Very high97.7Very high67 Ų6734.4 Ų34.469%0.69122%0.22SC*.THydrogen-bonded Turntrans83.413.8179.200000114.9I215 E216 G217I215-G219 PolarHBondContact O-N 3.41Å; E216-G219 PolarHBondContact O-N 2.58Å; G217-G219 PolarHBondContact O-N 2.87Å
220Y97.6Very high97.7Very high89 Ų8939.2 Ų39.235%0.34924%0.238SC..  trans-76.4146.8171.9-66.9-80000111.5I215 L218 T224 I341I215-Y220 HydrophobicContact CB-CD2 4.3Å; I215-Y220 WeakPolarHBondContact O-CB 3.44Å; I215-Y220 PolarHBondContact O-N 2.68Å; L218-Y220 HydrophobicContact CB-CD2 3.72Å; L218-Y220 HydrophobicContact CB-CE2 3.84Å; L218-Y220 HydrophobicContact CD1-CD2 4.43Å; L218-Y220 HydrophobicContact CD1-CE2 4.12Å; Y220-T224 HydrophobicContact CD1-CG2 4.26Å; Y220-T224 HydrophobicContact CG-CG2 4.01Å; Y220-I341 HydrophobicContact CE1-CD1 4.19Å; Y220-I341 HydrophobicContact CE1-CG1 4.34Å; Y220-I341 HydrophobicContact CE2-CB 4.43Å
221G94.1Very high97.7Very high45 Ų4539.2 Ų39.246%0.46424%0.238SC..  trans-84.3-172.9-18000000114.6N223 T224 K225G221-N223 VanDerWaalsContact C-N 3.31Å; G221-N223 PolarHBondContact O-N 3.08Å; G221-T224 PolarHBondContact O-N 3.43Å; G221-T224 VanDerWaalsContact O-N 3.15Å; G221-K225 PolarHBondContact O-N 3.28Å
222D95.7Very high97.7Very high96 Ų9639.2 Ų39.251%0.51324%0.238SC..Hα-helixtrans-67.2-25.2-172-67.9-38.3000114.4T224 K225 A226D222-T224 VanDerWaalsContact C-N 3.34Å; D222-T224 PolarHBondContact O-N 3.22Å; D222-K225 WeakPolarHBondContact O-CB 3.47Å; D222-K225 PolarHBondContact O-N 2.82Å; D222-K225 IonicContact OD1-NZ 3.04Å; D222-K225 PolarHBondContact OD1-NZ 3.5Å; D222-A226 WeakPolarHBondContact O-CB 3.45Å; D222-A226 PolarHBondContact O-N 3.29Å
223N97.3Very high97.7Very high150 Ų15040.6 Ų40.680%0.80224%0.244SC*.Hα-helixtrans-61-43.7172.8-73.6-10.4000111.6G221 A226 A227G221-N223 VanDerWaalsContact C-N 3.31Å; G221-N223 PolarHBondContact O-N 3.08Å; N223-A226 PolarHBondContact O-N 3.32Å; N223-A227 PolarHBondContact O-N 3.32Å; N223-A227 VanDerWaalsContact O-N 3.11Å
224T97.6Very high97.7Very high30 Ų3043 Ų4318%0.18426%0.256CS..Hα-helixtrans-69.1-38.3176.6-520000110.7I215 Y220 G221 D222 A226 A227 V228 I341 L344I215-T224 HydrophobicContact CB-CG2 4.18Å; I215-T224 HydrophobicContact CG1-CG2 4.47Å; I215-T224 HydrophobicContact CG2-CG2 4.21Å; Y220-T224 HydrophobicContact CD1-CG2 4.26Å; Y220-T224 HydrophobicContact CG-CG2 4.01Å; G221-T224 PolarHBondContact O-N 3.43Å; G221-T224 VanDerWaalsContact O-N 3.15Å; D222-T224 VanDerWaalsContact C-N 3.34Å; D222-T224 PolarHBondContact O-N 3.22Å; T224-A226 PolarHBondContact O-N 2.82Å; T224-A227 WeakPolarHBondContact O-CB 3.42Å; T224-A227 PolarHBondContact O-N 2.83Å; T224-V228 WeakPolarHBondContact O-CG2 3.23Å; T224-V228 PolarHBondContact O-N 3.07Å; T224-I341 HydrophobicContact CG2-CD1 3.94Å; T224-L344 HydrophobicContact CG2-CD1 4Å
225K97.4Very high97.7Very high12 Ų1243.2 Ų43.25%0.05226%0.257CS..Hα-helixtrans-59.5-45.4174.1-161.1178.5-72.2153.50112.1A212 I215 E216 G221 D222 A227 V228 I229 Y268A212-K225 HydrophobicContact CB-CG 4.27Å; I215-K225 HydrophobicContact CD1-CB 3.74Å; I215-K225 HydrophobicContact CD1-CG 4.01Å; E216-K225 WeakPolarHBondContact OE2-CE 3.38Å; E216-K225 IonicContact OE2-NZ 2.75Å; E216-K225 PolarHBondContact OE2-NZ 3.46Å; G221-K225 PolarHBondContact O-N 3.28Å; D222-K225 WeakPolarHBondContact O-CB 3.47Å; D222-K225 PolarHBondContact O-N 2.82Å; D222-K225 IonicContact OD1-NZ 3.04Å; D222-K225 PolarHBondContact OD1-NZ 3.5Å; K225-A227 VanDerWaalsContact C-N 3.29Å; K225-A227 PolarHBondContact O-N 2.95Å; K225-V228 WeakPolarHBondContact O-CB 3.46Å; K225-V228 PolarHBondContact O-N 2.8Å; K225-V228 VanDerWaalsContact O-N 3.17Å; K225-I229 HydrophobicContact CG-CD1 4.32Å; K225-I229 WeakPolarHBondContact O-CG1 3.28Å; K225-I229 PolarHBondContact O-N 3.37Å; K225-Y268 HydrophobicContact CD-CD1 4.38Å; K225-Y268 HydrophobicContact CD-CE1 4.03Å
226A97.8Very high97.7Very high49 Ų4943.2 Ų43.241%0.40526%0.257SS..Hα-helixtrans-61.2-38.9176.500000111.5D222 N223 T224 I229 R230D222-A226 WeakPolarHBondContact O-CB 3.45Å; D222-A226 PolarHBondContact O-N 3.29Å; N223-A226 PolarHBondContact O-N 3.32Å; T224-A226 PolarHBondContact O-N 2.82Å; A226-I229 PolarHBondContact O-N 3.06Å; A226-R230 WeakPolarHBondContact O-CB 3.46Å; A226-R230 PolarHBondContact O-N 2.99Å
227A98.2Very high97.8Very high38 Ų3843 Ų4331%0.31426%0.255SS..Hα-helixtrans-63.2-42.9173.500000112.3N223 T224 K225 R230 L231N223-A227 PolarHBondContact O-N 3.32Å; N223-A227 VanDerWaalsContact O-N 3.11Å; T224-A227 WeakPolarHBondContact O-CB 3.42Å; T224-A227 PolarHBondContact O-N 2.83Å; K225-A227 VanDerWaalsContact C-N 3.29Å; K225-A227 PolarHBondContact O-N 2.95Å; A227-R230 PolarHBondContact O-N 3.5Å; A227-L231 VanDerWaalsContact O-CB 3.31Å; A227-L231 WeakPolarHBondContact O-CB 3.38Å; A227-L231 WeakPolarHBondContact O-CG 3.38Å; A227-L231 PolarHBondContact O-N 3.11Å
228V98.5Very high97.8Very high0 Ų043.5 Ų43.50%026%0.255CS..Hα-helixtrans-59.5-46.6173.5172.90000111.3V208 A211 A212 I215 T224 K225 R230 G232 F340 L344V208-V228 HydrophobicContact CG1-CG1 4.17Å; A211-V228 HydrophobicContact CB-CG1 3.63Å; A212-V228 HydrophobicContact CB-CG1 4.34Å; I215-V228 HydrophobicContact CB-CG2 4.46Å; I215-V228 HydrophobicContact CG1-CG2 3.9Å; I215-V228 HydrophobicContact CG2-CG2 3.71Å; T224-V228 WeakPolarHBondContact O-CG2 3.23Å; T224-V228 PolarHBondContact O-N 3.07Å; K225-V228 WeakPolarHBondContact O-CB 3.46Å; K225-V228 PolarHBondContact O-N 2.8Å; K225-V228 VanDerWaalsContact O-N 3.17Å; V228-R230 PolarHBondContact O-N 3.48Å; V228-G232 WeakPolarHBondContact O-CA 3.36Å; V228-G232 PolarHBondContact O-N 3.28Å; V228-F340 HydrophobicContact CG2-CE1 4.39Å; V228-L344 HydrophobicContact CG2-CD1 3.47Å; V228-L344 VanDerWaalsContact CG2-CD1 3.47Å; V228-L344 HydrophobicContact CG2-CD2 3.88Å; V228-L344 HydrophobicContact CG2-CG 4.31Å
229I98.4Very high97.8Very high18 Ų1841.2 Ų41.29%0.09224%0.243CC..Hα-helixtrans-60.3-48.9179.5-68.6167.2000110K225 A226 F233 L263 I264 C267 Y268K225-I229 HydrophobicContact CG-CD1 4.32Å; K225-I229 WeakPolarHBondContact O-CG1 3.28Å; K225-I229 PolarHBondContact O-N 3.37Å; A226-I229 PolarHBondContact O-N 3.06Å; I229-F233 VanDerWaalsContact O-CB 3.28Å; I229-F233 WeakPolarHBondContact O-CB 3.34Å; I229-F233 PolarHBondContact O-N 3.41Å; I229-L263 HydrophobicContact CG2-CD2 4.04Å; I229-L263 HydrophobicContact CG2-CG 4.22Å; I229-I264 HydrophobicContact CG2-CG1 4.2Å; I229-C267 HydrophobicContact CD1-CB 3.75Å; I229-C267 HydrophobicContact CG1-CB 3.68Å; I229-Y268 HydrophobicContact CD1-CD2 4.41Å; I229-Y268 HydrophobicContact CD1-CE2 3.79Å
230R98.3Very high97.9Very high101 Ų10138 Ų3838%0.38121%0.21SC..Hα-helixtrans-63-49.3-179.9-170.3-161.67281-9.7112.2A226 A227 V228 F233 M234A226-R230 WeakPolarHBondContact O-CB 3.46Å; A226-R230 PolarHBondContact O-N 2.99Å; A227-R230 PolarHBondContact O-N 3.5Å; V228-R230 PolarHBondContact O-N 3.48Å; R230-F233 WeakPolarHBondContact O-CB 3.35Å; R230-F233 PolarHBondContact O-N 3.09Å; R230-M234 WeakPolarHBondContact O-CG 3.48Å; R230-M234 PolarHBondContact O-N 3.5Å; R230-M234 VanDerWaalsContact O-N 3.11Å
231L98.6Very high97.9Very high1 Ų137.2 Ų37.21%0.00521%0.207CC..Hα-helixtrans-68-41.4-178.3-72.4174.7000111.6A227 F233 M234 E235 I323 L344 H347 E349A227-L231 VanDerWaalsContact O-CB 3.31Å; A227-L231 WeakPolarHBondContact O-CB 3.38Å; A227-L231 WeakPolarHBondContact O-CG 3.38Å; A227-L231 PolarHBondContact O-N 3.11Å; L231-F233 VanDerWaalsContact C-N 3.31Å; L231-F233 PolarHBondContact O-N 3.37Å; L231-M234 WeakPolarHBondContact O-CB 3.41Å; L231-M234 PolarHBondContact O-N 2.91Å; L231-M234 VanDerWaalsContact O-N 3.09Å; L231-E235 PolarHBondContact O-N 2.86Å; L231-I323 HydrophobicContact CB-CD1 3.56Å; L231-L344 HydrophobicContact CD1-CB 4.08Å; L231-L344 HydrophobicContact CD1-CD2 3.8Å; L231-H347 HydrophobicContact CD1-CB 3.87Å; L231-H347 HydrophobicContact CD2-CB 3.95Å; L231-E349 HydrophobicContact CD2-CB 3.87Å; L231-E349 HydrophobicContact CD2-CG 4.28Å
232G98.6Very high98Very high0 Ų038.8 Ų38.80%020%0.202CC..Hα-helixtrans-62-37.9173.700000112.5V228 M234 E235 M236V228-G232 WeakPolarHBondContact O-CA 3.36Å; V228-G232 PolarHBondContact O-N 3.28Å; G232-M234 VanDerWaalsContact C-N 3.33Å; G232-M234 PolarHBondContact O-N 3.22Å; G232-E235 PolarHBondContact O-N 2.88Å; G232-M236 VanDerWaalsContact O-CG 3.23Å; G232-M236 WeakPolarHBondContact O-CG 3.45Å; G232-M236 PolarHBondContact O-N 3.36Å
233F98.4Very high98Very high29 Ų2935.7 Ų35.713%0.12718%0.184CC..Hα-helixtrans-61.2-40.4171.8-176.4-104.2000112.3I229 R230 L231 M236 K237 F254 V260 L263I229-F233 VanDerWaalsContact O-CB 3.28Å; I229-F233 WeakPolarHBondContact O-CB 3.34Å; I229-F233 PolarHBondContact O-N 3.41Å; R230-F233 WeakPolarHBondContact O-CB 3.35Å; R230-F233 PolarHBondContact O-N 3.09Å; L231-F233 VanDerWaalsContact C-N 3.31Å; L231-F233 PolarHBondContact O-N 3.37Å; F233-M236 WeakPolarHBondContact O-CB 3.12Å; F233-M236 PolarHBondContact O-N 2.94Å; F233-K237 PolarHBondContact O-N 3.3Å; F233-F254 HydrophobicContact CE1-CB 4.48Å; F233-F254 HydrophobicContact CE2-CB 4.09Å; F233-F254 HydrophobicContact CE2-CD1 4.5Å; F233-F254 WeakPolarHBondContact CE2-O 3.38Å; F233-F254 HydrophobicContact CZ-CB 3.61Å; F233-F254 WeakPolarHBondContact CZ-O 3.34Å; F233-V260 HydrophobicContact CE2-CB 3.97Å; F233-V260 HydrophobicContact CZ-CB 4.33Å; F233-L263 HydrophobicContact CB-CD2 3.61Å; F233-L263 HydrophobicContact CD2-CD2 3.8Å; F233-L263 HydrophobicContact CG-CD2 4.18Å
234M98.4Very high97.9Very high51 Ų5129.5 Ų29.525%0.25115%0.15SC..Hα-helixtrans-67.3-39.1174.8-62.9-53.4156.800112.2R230 L231 G232 K237 S238 E349R230-M234 WeakPolarHBondContact O-CG 3.48Å; R230-M234 PolarHBondContact O-N 3.5Å; R230-M234 VanDerWaalsContact O-N 3.11Å; L231-M234 WeakPolarHBondContact O-CB 3.41Å; L231-M234 PolarHBondContact O-N 2.91Å; L231-M234 VanDerWaalsContact O-N 3.09Å; G232-M234 VanDerWaalsContact C-N 3.33Å; G232-M234 PolarHBondContact O-N 3.22Å; M234-K237 PolarHBondContact O-N 3.01Å; M234-S238 VanDerWaalsContact O-CB 3.3Å; M234-S238 WeakPolarHBondContact O-CB 3.38Å; M234-S238 PolarHBondContact O-N 2.77Å; M234-E349 HydrophobicContact CB-CG 3.88Å; M234-E349 HydrophobicContact CG-CG 4.27Å
235E98.6Very high97.9Very high3 Ų330.6 Ų30.61%0.01416%0.163CC..Hα-helixtrans-62.9-41.9172.5-76-166.6-158.100112L231 G232 K237 S238 F239 Y321 P322 I323 F324 H347L231-E235 PolarHBondContact O-N 2.86Å; G232-E235 PolarHBondContact O-N 2.88Å; E235-K237 PolarHBondContact O-N 3.45Å; E235-S238 PolarHBondContact O-N 3.36Å; E235-F239 WeakPolarHBondContact O-CB 3.42Å; E235-F239 PolarHBondContact O-N 2.95Å; E235-Y321 HydrophobicContact CB-CD1 4.03Å; E235-Y321 HydrophobicContact CG-CD1 4.08Å; E235-Y321 WeakPolarHBondContact OE2-CA 3.48Å; E235-P322 WeakPolarHBondContact OE1-CD 3.47Å; E235-P322 WeakPolarHBondContact OE1-CG 3.26Å; E235-P322 VanDerWaalsContact OE1-N 3.12Å; E235-I323 VanDerWaalsContact OE1-CB 3.26Å; E235-I323 WeakPolarHBondContact OE1-CB 3.41Å; E235-I323 WeakPolarHBondContact OE1-CG1 3.29Å; E235-I323 PolarHBondContact OE1-N 3.39Å; E235-I323 PolarHBondContact OE2-N 3.06Å; E235-F324 HydrophobicContact CB-CD1 4.4Å; E235-F324 HydrophobicContact CB-CD2 4.33Å; E235-F324 HydrophobicContact CB-CE1 3.97Å; E235-F324 HydrophobicContact CB-CE2 3.91Å; E235-F324 HydrophobicContact CB-CZ 3.72Å; E235-F324 WeakPolarHBondContact OE2-CD1 3.48Å; E235-F324 WeakPolarHBondContact OE2-CG 3.29Å; E235-F324 PolarHBondContact OE2-N 3.15Å; E235-H347 IonicContact OE1-CD2 2.9Å; E235-H347 IonicContact OE1-NE2 3.89Å; E235-H347 PolarHBondContact OE1-NE2 3.41Å
236M98.6Very high97.9Very high0 Ų035.6 Ų35.60%019%0.19CC..Hα-helixtrans-57.2-51.5174.2-69.1167.961.700110.8C201 L204 K205 V208 G232 F233 F239 I240 L263 F324C201-M236 HydrophobicContact CB-CE 4.11Å; C201-M236 WeakPolarHBondContact O-CE 3.42Å; L204-M236 HydrophobicContact CB-CB 4.46Å; L204-M236 HydrophobicContact CB-CE 4.42Å; L204-M236 HydrophobicContact CB-CG 3.73Å; L204-M236 HydrophobicContact CD1-CB 4.39Å; L204-M236 HydrophobicContact CD1-CG 4.49Å; K205-M236 HydrophobicContact CB-CE 4.02Å; K205-M236 HydrophobicContact CB-SD 4.28Å; V208-M236 HydrophobicContact CG2-CG 4.22Å; V208-M236 HydrophobicContact CG2-SD 3.98Å; G232-M236 VanDerWaalsContact O-CG 3.23Å; G232-M236 WeakPolarHBondContact O-CG 3.45Å; G232-M236 PolarHBondContact O-N 3.36Å; F233-M236 WeakPolarHBondContact O-CB 3.12Å; F233-M236 PolarHBondContact O-N 2.94Å; M236-F239 PolarHBondContact O-N 3.24Å; M236-I240 VanDerWaalsContact O-CG1 3.27Å; M236-I240 WeakPolarHBondContact O-CG1 3.12Å; M236-I240 PolarHBondContact O-N 2.85Å; M236-L263 HydrophobicContact SD-CD1 4Å; M236-L263 HydrophobicContact SD-CD2 4.01Å; M236-L263 HydrophobicContact SD-CG 4.49Å; M236-F324 HydrophobicContact CB-CZ 4.45Å; M236-F324 HydrophobicContact CG-CE1 4.4Å; M236-F324 HydrophobicContact CG-CZ 3.81Å
237K98.4Very high97.8Very high56 Ų5637.7 Ų37.724%0.24319%0.187CC..Hα-helixtrans-60.9-51.2178.8180178.9166.4175.60112F233 M234 E235 F239 I240 Y241 E251 F254F233-K237 PolarHBondContact O-N 3.3Å; M234-K237 PolarHBondContact O-N 3.01Å; E235-K237 PolarHBondContact O-N 3.45Å; K237-F239 VanDerWaalsContact C-N 3.26Å; K237-F239 PolarHBondContact O-N 3.14Å; K237-I240 PolarHBondContact O-N 3.02Å; K237-Y241 HydrophobicContact CG-CD2 3.86Å; K237-Y241 HydrophobicContact CG-CE2 3.97Å; K237-Y241 WeakPolarHBondContact O-CD2 3.44Å; K237-Y241 PolarHBondContact O-N 2.85Å; K237-E251 VanDerWaalsContact CE-CD 3.49Å; K237-E251 WeakPolarHBondContact CE-OE1 3.31Å; K237-E251 VanDerWaalsContact CE-OE2 3.23Å; K237-E251 WeakPolarHBondContact CE-OE2 3.4Å; K237-E251 IonicContact NZ-OE1 2.58Å; K237-E251 PolarHBondContact NZ-OE1 3.1Å; K237-E251 IonicContact NZ-OE2 2.71Å; K237-E251 PolarHBondContact NZ-OE2 2.89Å; K237-F254 VanDerWaalsContact CA-CE1 3.47Å; K237-F254 HydrophobicContact CB-CD1 4.03Å; K237-F254 HydrophobicContact CB-CE1 3.67Å; K237-F254 HydrophobicContact CB-CZ 4.07Å; K237-F254 HydrophobicContact CG-CD1 4.3Å; K237-F254 HydrophobicContact CG-CD2 4.47Å; K237-F254 HydrophobicContact CG-CE1 3.91Å; K237-F254 HydrophobicContact CG-CE2 4.12Å; K237-F254 HydrophobicContact CG-CZ 3.82Å
238S98.1Very high97.7Very high31 Ų3143 Ų4322%0.21721%0.205CC..Hα-helixtrans-57.1-41.9177.6174.60000111.1M234 E235 Q242 K320 Y321M234-S238 VanDerWaalsContact O-CB 3.3Å; M234-S238 WeakPolarHBondContact O-CB 3.38Å; M234-S238 PolarHBondContact O-N 2.77Å; E235-S238 PolarHBondContact O-N 3.36Å; S238-Q242 WeakPolarHBondContact O-CB 3.48Å; S238-Q242 PolarHBondContact O-N 3.38Å; S238-K320 WeakPolarHBondContact OG-CE 3.44Å; S238-Y321 PolarHBondContact O-OH 3.04Å; S238-Y321 PolarHBondContact OG-OH 3.5Å
239F98Very high97.7Very high0 Ų043.6 Ų43.60%021%0.209CC..Hα-helixtrans-62.7-48.1-179.4-174.4-83.5000111.5I130 L204 E235 M236 K237 Q242 F243 F244 V308 M311 L312 Y321 F324I130-F239 HydrophobicContact CD1-CE1 3.97Å; I130-F239 HydrophobicContact CD1-CE2 4.4Å; I130-F239 HydrophobicContact CD1-CZ 3.41Å; I130-F239 VanDerWaalsContact CD1-CZ 3.41Å; L204-F239 HydrophobicContact CD1-CB 4.23Å; L204-F239 HydrophobicContact CD1-CD1 3.72Å; L204-F239 HydrophobicContact CD1-CG 4.17Å; L204-F239 HydrophobicContact CD2-CD1 4.28Å; L204-F239 HydrophobicContact CD2-CE1 4.46Å; E235-F239 WeakPolarHBondContact O-CB 3.42Å; E235-F239 PolarHBondContact O-N 2.95Å; M236-F239 PolarHBondContact O-N 3.24Å; K237-F239 VanDerWaalsContact C-N 3.26Å; K237-F239 PolarHBondContact O-N 3.14Å; F239-Q242 PolarHBondContact O-N 3.39Å; F239-F243 HydrophobicContact CD1-CD2 4.03Å; F239-F243 AromaticContact CD2-CD2 3.63Å; F239-F243 HydrophobicContact CD2-CD2 3.63Å; F239-F243 AromaticContact CD2-CE2 3.54Å; F239-F243 HydrophobicContact CD2-CE2 3.54Å; F239-F243 AromaticContact CE1-CD2 3.85Å; F239-F243 HydrophobicContact CE1-CD2 3.85Å; F239-F243 AromaticContact CE2-CD2 3.41Å; F239-F243 HydrophobicContact CE2-CD2 3.41Å; F239-F243 VanDerWaalsContact CE2-CD2 3.41Å; F239-F243 AromaticContact CE2-CE2 3.32Å; F239-F243 HydrophobicContact CE2-CE2 3.32Å; F239-F243 HydrophobicContact CE2-CZ 4.45Å; F239-F243 AromaticContact CG-CD2 3.91Å; F239-F243 HydrophobicContact CG-CD2 3.91Å; F239-F243 HydrophobicContact CG-CE2 4.24Å; F239-F243 AromaticContact CZ-CD2 3.49Å; F239-F243 HydrophobicContact CZ-CD2 3.49Å; F239-F243 VanDerWaalsContact CZ-CD2 3.49Å; F239-F243 AromaticContact CZ-CE2 3.88Å; F239-F243 HydrophobicContact CZ-CE2 3.88Å; F239-F243 HydrophobicContact CZ-CG 4.37Å; F239-F243 VanDerWaalsContact O-CD2 3.3Å; F239-F243 WeakPolarHBondContact O-CD2 3.27Å; F239-F243 PolarHBondContact O-N 2.97Å; F239-F243 VanDerWaalsContact O-N 3.08Å; F239-F244 HydrophobicContact CE1-CE2 4.17Å; F239-V308 HydrophobicContact CD2-CG1 4.19Å; F239-V308 HydrophobicContact CE2-CG1 3.77Å; F239-V308 HydrophobicContact CE2-CG2 4.37Å; F239-V308 HydrophobicContact CZ-CG1 4.46Å; F239-V308 HydrophobicContact CZ-CG2 4.29Å; F239-M311 HydrophobicContact CE2-SD 4.42Å; F239-M311 HydrophobicContact CZ-SD 3.74Å; F239-L312 HydrophobicContact CD2-CD2 4.16Å; F239-L312 HydrophobicContact CE2-CD2 3.99Å; F239-L312 HydrophobicContact CE2-CG 4.3Å; F239-Y321 HydrophobicContact CB-CD1 4.47Å; F239-Y321 HydrophobicContact CB-CE1 3.8Å; F239-Y321 HydrophobicContact CD2-CE1 4.31Å; F239-F324 HydrophobicContact CB-CE2 4.1Å; F239-F324 HydrophobicContact CD2-CD2 4.46Å; F239-F324 HydrophobicContact CD2-CE2 4.37Å; F239-F324 HydrophobicContact CG-CE2 4.37Å
240I98.4Very high97.6Very high0 Ų047.1 Ų47.10%023%0.225CC..Hα-helixtrans-61.4-48.9-179.9-65172.8000110.5A197 L200 L204 M236 K237 Q242 F243 F244 P249 F254A197-I240 HydrophobicContact CB-CD1 4.26Å; A197-I240 HydrophobicContact CB-CG2 3.97Å; L200-I240 HydrophobicContact CB-CD1 3.5Å; L200-I240 HydrophobicContact CB-CG1 3.58Å; L200-I240 HydrophobicContact CD1-CB 4.39Å; L200-I240 HydrophobicContact CD1-CD1 4.49Å; L200-I240 HydrophobicContact CD1-CG1 3.8Å; L200-I240 HydrophobicContact CD1-CG2 4.15Å; L200-I240 HydrophobicContact CG-CG1 4.26Å; L204-I240 HydrophobicContact CD1-CD1 4.37Å; L204-I240 HydrophobicContact CD1-CG1 4.05Å; M236-I240 VanDerWaalsContact O-CG1 3.27Å; M236-I240 WeakPolarHBondContact O-CG1 3.12Å; M236-I240 PolarHBondContact O-N 2.85Å; K237-I240 PolarHBondContact O-N 3.02Å; I240-Q242 VanDerWaalsContact C-N 3.33Å; I240-Q242 PolarHBondContact O-N 3.48Å; I240-F243 PolarHBondContact O-N 3.04Å; I240-F244 CarbonylContact O-C 3.59Å; I240-F244 WeakPolarHBondContact O-CA 3.02Å; I240-F244 WeakPolarHBondContact O-CB 3.14Å; I240-F244 PolarHBondContact O-N 3.02Å; I240-P249 HydrophobicContact CG2-CB 3.71Å; I240-P249 HydrophobicContact CG2-CG 4.03Å; I240-F254 HydrophobicContact CB-CZ 4.29Å; I240-F254 HydrophobicContact CD1-CE1 3.8Å; I240-F254 HydrophobicContact CD1-CZ 4.05Å; I240-F254 HydrophobicContact CG2-CZ 4.35Å
241Y98.1Very high97.6Very high71 Ų7147 Ų4728%0.27823%0.229SC..Hα-helixtrans-67.1-31.6176.4-80.6-76.4000113.1K237 A245 P249 E251 F254K237-Y241 HydrophobicContact CG-CD2 3.86Å; K237-Y241 HydrophobicContact CG-CE2 3.97Å; K237-Y241 WeakPolarHBondContact O-CD2 3.44Å; K237-Y241 PolarHBondContact O-N 2.85Å; Y241-A245 VanDerWaalsContact O-CB 3.23Å; Y241-A245 WeakPolarHBondContact O-CB 3.39Å; Y241-P249 HydrophobicContact CD1-CG 3.75Å; Y241-P249 HydrophobicContact CE1-CB 4.31Å; Y241-P249 HydrophobicContact CE1-CG 3.65Å; Y241-P249 HydrophobicContact CG-CG 4.29Å; Y241-P249 PolarHBondContact OH-O 3.03Å; Y241-E251 PolarHBondContact OH-N 3.19Å; Y241-F254 HydrophobicContact CD2-CE2 4.41Å; Y241-F254 HydrophobicContact CD2-CZ 4.33Å; Y241-F254 AromaticContact CE2-CE2 3.58Å; Y241-F254 HydrophobicContact CE2-CE2 3.58Å; Y241-F254 AromaticContact CE2-CZ 3.94Å; Y241-F254 HydrophobicContact CE2-CZ 3.94Å
242Q97Very high97.5Very high78 Ų7848.9 Ų48.936%0.36425%0.248SC..Hα-helixtrans-69.4-34.8-179.6176.566.669.800112.9S238 F239 I240 L317 Y321S238-Q242 WeakPolarHBondContact O-CB 3.48Å; S238-Q242 PolarHBondContact O-N 3.38Å; F239-Q242 PolarHBondContact O-N 3.39Å; I240-Q242 VanDerWaalsContact C-N 3.33Å; I240-Q242 PolarHBondContact O-N 3.48Å; Q242-L317 HydrophobicContact CG-CD1 3.96Å; Q242-Y321 VanDerWaalsContact CB-OH 3.27Å; Q242-Y321 WeakPolarHBondContact CB-OH 3.3Å
243F95.4Very high97.5Very high32 Ų3248.9 Ų48.914%0.1425%0.248CC..Hα-helixtrans-117.7-15.3-169.2-63.7-60.4000114.9F239 I240 M311 L312 K315 L317 Y321F239-F243 HydrophobicContact CD1-CD2 4.03Å; F239-F243 AromaticContact CD2-CD2 3.63Å; F239-F243 HydrophobicContact CD2-CD2 3.63Å; F239-F243 AromaticContact CD2-CE2 3.54Å; F239-F243 HydrophobicContact CD2-CE2 3.54Å; F239-F243 AromaticContact CE1-CD2 3.85Å; F239-F243 HydrophobicContact CE1-CD2 3.85Å; F239-F243 AromaticContact CE2-CD2 3.41Å; F239-F243 HydrophobicContact CE2-CD2 3.41Å; F239-F243 VanDerWaalsContact CE2-CD2 3.41Å; F239-F243 AromaticContact CE2-CE2 3.32Å; F239-F243 HydrophobicContact CE2-CE2 3.32Å; F239-F243 HydrophobicContact CE2-CZ 4.45Å; F239-F243 AromaticContact CG-CD2 3.91Å; F239-F243 HydrophobicContact CG-CD2 3.91Å; F239-F243 HydrophobicContact CG-CE2 4.24Å; F239-F243 AromaticContact CZ-CD2 3.49Å; F239-F243 HydrophobicContact CZ-CD2 3.49Å; F239-F243 VanDerWaalsContact CZ-CD2 3.49Å; F239-F243 AromaticContact CZ-CE2 3.88Å; F239-F243 HydrophobicContact CZ-CE2 3.88Å; F239-F243 HydrophobicContact CZ-CG 4.37Å; F239-F243 VanDerWaalsContact O-CD2 3.3Å; F239-F243 WeakPolarHBondContact O-CD2 3.27Å; F239-F243 PolarHBondContact O-N 2.97Å; F239-F243 VanDerWaalsContact O-N 3.08Å; I240-F243 PolarHBondContact O-N 3.04Å; F243-M311 HydrophobicContact CB-CE 3.77Å; F243-M311 HydrophobicContact CD1-CE 3.38Å; F243-M311 HydrophobicContact CD1-SD 4.25Å; F243-M311 HydrophobicContact CD2-CE 4.29Å; F243-M311 HydrophobicContact CD2-SD 4.25Å; F243-M311 HydrophobicContact CE1-CE 3.99Å; F243-M311 HydrophobicContact CG-CE 3.54Å; F243-M311 HydrophobicContact CG-SD 4.08Å; F243-L312 HydrophobicContact CE2-CD2 3.67Å; F243-L312 HydrophobicContact CZ-CD2 3.78Å; F243-K315 HydrophobicContact CE1-CB 4.35Å; F243-K315 HydrophobicContact CE1-CD 4.48Å; F243-K315 HydrophobicContact CE1-CG 3.9Å; F243-K315 HydrophobicContact CZ-CG 4.43Å; F243-L317 HydrophobicContact CE1-CD1 4.09Å; F243-L317 HydrophobicContact CZ-CD1 3.68Å; F243-Y321 HydrophobicContact CE2-CE2 4.5Å
244F96.2Very high97.5Very high19 Ų1947.7 Ų47.78%0.08324%0.243CC..Hα-helixtrans-132.121.5-176.8-62.7-93.4000112.7I130 L132 V196 L200 F239 I240 D246 R247 P249I130-F244 HydrophobicContact CB-CZ 4.49Å; I130-F244 HydrophobicContact CG2-CZ 4.13Å; L132-F244 HydrophobicContact CD1-CE1 4.46Å; L132-F244 HydrophobicContact CD2-CE1 4.3Å; L132-F244 HydrophobicContact CD2-CZ 4.39Å; L132-F244 HydrophobicContact CG-CE1 4.22Å; V196-F244 HydrophobicContact CG1-CB 3.73Å; V196-F244 HydrophobicContact CG1-CD1 3.78Å; V196-F244 HydrophobicContact CG1-CG 3.87Å; L200-F244 HydrophobicContact CD1-CB 4.34Å; L200-F244 HydrophobicContact CD1-CD1 4.24Å; L200-F244 HydrophobicContact CD1-CD2 3.42Å; L200-F244 VanDerWaalsContact CD1-CD2 3.42Å; L200-F244 HydrophobicContact CD1-CE1 4.44Å; L200-F244 HydrophobicContact CD1-CE2 3.67Å; L200-F244 HydrophobicContact CD1-CG 3.74Å; L200-F244 HydrophobicContact CD1-CZ 4.18Å; L200-F244 HydrophobicContact CD2-CE2 4.06Å; L200-F244 HydrophobicContact CD2-CZ 4.38Å; F239-F244 HydrophobicContact CE1-CE2 4.17Å; I240-F244 CarbonylContact O-C 3.59Å; I240-F244 WeakPolarHBondContact O-CA 3.02Å; I240-F244 WeakPolarHBondContact O-CB 3.14Å; I240-F244 PolarHBondContact O-N 3.02Å; F244-D246 PolarHBondContact O-N 2.74Å; F244-R247 HydrophobicContact CB-CB 4.5Å; F244-R247 HydrophobicContact CB-CG 4.45Å; F244-R247 HydrophobicContact CD1-CG 4.37Å; F244-R247 WeakPolarHBondContact O-CA 3.46Å; F244-R247 WeakPolarHBondContact O-CB 3.44Å; F244-R247 PolarHBondContact O-N 3.24Å; F244-P249 VanDerWaalsContact O-CD 3.26Å; F244-P249 WeakPolarHBondContact O-CD 3.35Å
245A96.7Very high97.5Very high54 Ų5451.7 Ų51.745%0.44627%0.265SS..G310 helixtrans-57.2-32.117800000113.6Y241 R247 H248Y241-A245 VanDerWaalsContact O-CB 3.23Å; Y241-A245 WeakPolarHBondContact O-CB 3.39Å; A245-R247 PolarHBondContact O-N 2.99Å; A245-H248 PolarHBondContact O-N 2.54Å
246D96.4Very high97.4Very high117 Ų11754.2 Ų54.263%0.62628%0.276SS*.G310 helixtrans-64.8-18.6174.964.4-52.4000113F244 H248F244-D246 PolarHBondContact O-N 2.74Å; D246-H248 VanDerWaalsContact C-N 3.33Å
247R96.4Very high97.3Very high92 Ų9254.8 Ų54.835%0.34728%0.281SS..G310 helixtrans-91.86.9173.9-54.6-68.2-67.7-87.7-0.9113.3D135 V196 F244 A245D135-R247 IonicContact OD1-NH1 2.61Å; D135-R247 IonicContact OD1-NH2 2.6Å; D135-R247 IonicContact OD2-CZ 2.8Å; D135-R247 IonicContact OD2-NH1 3.51Å; D135-R247 PolarHBondContact OD2-NH1 3.29Å; D135-R247 IonicContact OD2-NH2 3.06Å; V196-R247 HydrophobicContact CB-CB 4.11Å; V196-R247 HydrophobicContact CG1-CB 4.16Å; V196-R247 HydrophobicContact CG2-CB 3.73Å; V196-R247 HydrophobicContact CG2-CG 4.08Å; F244-R247 HydrophobicContact CB-CB 4.5Å; F244-R247 HydrophobicContact CB-CG 4.45Å; F244-R247 HydrophobicContact CD1-CG 4.37Å; F244-R247 WeakPolarHBondContact O-CA 3.46Å; F244-R247 WeakPolarHBondContact O-CB 3.44Å; F244-R247 PolarHBondContact O-N 3.24Å; A245-R247 PolarHBondContact O-N 2.99Å
248H96.1Very high97.3Very high150 Ų15052.1 Ų52.169%0.69427%0.269SS*.  trans55.753.7173.8-52.3-59.7000115.9A245 D246A245-H248 PolarHBondContact O-N 2.54Å; D246-H248 VanDerWaalsContact C-N 3.33Å
249P97.8Very high97.2Very high12 Ų1250.7 Ų50.78%0.07826%0.259CS..  trans-60.2146174.427.2-35.1000111.9D194 A197 I240 Y241 F244D194-P249 WeakPolarHBondContact OD2-CA 3.49Å; A197-P249 HydrophobicContact CB-CB 4Å; I240-P249 HydrophobicContact CG2-CB 3.71Å; I240-P249 HydrophobicContact CG2-CG 4.03Å; Y241-P249 HydrophobicContact CD1-CG 3.75Å; Y241-P249 HydrophobicContact CE1-CB 4.31Å; Y241-P249 HydrophobicContact CE1-CG 3.65Å; Y241-P249 HydrophobicContact CG-CG 4.29Å; Y241-P249 PolarHBondContact OH-O 3.03Å; F244-P249 VanDerWaalsContact O-CD 3.26Å; F244-P249 WeakPolarHBondContact O-CD 3.35Å
250Q98.1Very high97.2Very high93 Ų9353.1 Ų53.144%0.43527%0.274SS..  trans-112.5134.4-172.6-62-176.5-13.200111.3D194 G252 T253 F254D194-Q250 HydrophobicContact CB-CB 4.21Å; D194-Q250 HydrophobicContact CB-CG 4.05Å; D194-Q250 PolarHBondContact OD2-N 2.9Å; Q250-G252 PolarHBondContact O-N 3.03Å; Q250-T253 VanDerWaalsContact O-CB 3.29Å; Q250-T253 WeakPolarHBondContact O-CB 3.21Å; Q250-T253 PolarHBondContact O-N 3.32Å; Q250-T253 PolarHBondContact O-OG1 3Å; Q250-F254 WeakPolarHBondContact O-CD2 3.45Å
251E97Very high97Very high99 Ų9954.8 Ų54.846%0.46329%0.288SS..G310 helixtrans-55.4-36.9177.5-74.7-66.9166.300112.7K237 Y241 T253 F254K237-E251 VanDerWaalsContact CE-CD 3.49Å; K237-E251 WeakPolarHBondContact CE-OE1 3.31Å; K237-E251 VanDerWaalsContact CE-OE2 3.23Å; K237-E251 WeakPolarHBondContact CE-OE2 3.4Å; K237-E251 IonicContact NZ-OE1 2.58Å; K237-E251 PolarHBondContact NZ-OE1 3.1Å; K237-E251 IonicContact NZ-OE2 2.71Å; K237-E251 PolarHBondContact NZ-OE2 2.89Å; Y241-E251 PolarHBondContact OH-N 3.19Å; E251-T253 VanDerWaalsContact C-N 3.26Å; E251-T253 PolarHBondContact O-N 3.5Å; E251-F254 PolarHBondContact O-N 3.21Å
252G97.7Very high96.9Very high39 Ų3951.6 Ų51.640%0.40228%0.275SS..G310 helixtrans-59.3-34.7177.500000113.4Q250 F254 L255 E256Q250-G252 PolarHBondContact O-N 3.03Å; G252-F254 PolarHBondContact O-N 3.42Å; G252-F254 VanDerWaalsContact O-N 3.16Å; G252-L255 WeakPolarHBondContact O-CB 3.31Å; G252-L255 PolarHBondContact O-N 3.47Å; G252-E256 PolarHBondContact O-N 3.35Å
253T98.4Very high97Very high1 Ų147.9 Ų47.91%0.00626%0.258CS..G310 helixtrans-58.9-31.9-178.1-51.60000112.8I192 D194 A197 Q250 E251 L255 E256I192-T253 HydrophobicContact CD1-CG2 3.54Å; I192-T253 WeakPolarHBondContact CD1-OG1 3.31Å; D194-T253 WeakPolarHBondContact CB-OG1 3.43Å; D194-T253 WeakPolarHBondContact OD2-CB 3.49Å; D194-T253 PolarHBondContact OD2-OG1 2.91Å; A197-T253 HydrophobicContact CB-CG2 3.78Å; Q250-T253 VanDerWaalsContact O-CB 3.29Å; Q250-T253 WeakPolarHBondContact O-CB 3.21Å; Q250-T253 PolarHBondContact O-N 3.32Å; Q250-T253 PolarHBondContact O-OG1 3Å; E251-T253 VanDerWaalsContact C-N 3.26Å; E251-T253 PolarHBondContact O-N 3.5Å; T253-L255 PolarHBondContact O-N 2.94Å; T253-E256 WeakPolarHBondContact O-CB 3.43Å; T253-E256 PolarHBondContact O-N 3.08Å
254F98.3Very high97Very high3 Ų349.9 Ų49.91%0.01327%0.269CS..G310 helixtrans-71.4-22.4-179.9-63.3-84000112.8A197 F233 K237 I240 Y241 Q250 E251 G252 V260A197-F254 HydrophobicContact CB-CZ 4.4Å; F233-F254 HydrophobicContact CE1-CB 4.48Å; F233-F254 HydrophobicContact CE2-CB 4.09Å; F233-F254 HydrophobicContact CE2-CD1 4.5Å; F233-F254 WeakPolarHBondContact CE2-O 3.38Å; F233-F254 HydrophobicContact CZ-CB 3.61Å; F233-F254 WeakPolarHBondContact CZ-O 3.34Å; K237-F254 VanDerWaalsContact CA-CE1 3.47Å; K237-F254 HydrophobicContact CB-CD1 4.03Å; K237-F254 HydrophobicContact CB-CE1 3.67Å; K237-F254 HydrophobicContact CB-CZ 4.07Å; K237-F254 HydrophobicContact CG-CD1 4.3Å; K237-F254 HydrophobicContact CG-CD2 4.47Å; K237-F254 HydrophobicContact CG-CE1 3.91Å; K237-F254 HydrophobicContact CG-CE2 4.12Å; K237-F254 HydrophobicContact CG-CZ 3.82Å; I240-F254 HydrophobicContact CB-CZ 4.29Å; I240-F254 HydrophobicContact CD1-CE1 3.8Å; I240-F254 HydrophobicContact CD1-CZ 4.05Å; I240-F254 HydrophobicContact CG2-CZ 4.35Å; Y241-F254 HydrophobicContact CD2-CE2 4.41Å; Y241-F254 HydrophobicContact CD2-CZ 4.33Å; Y241-F254 AromaticContact CE2-CE2 3.58Å; Y241-F254 HydrophobicContact CE2-CE2 3.58Å; Y241-F254 AromaticContact CE2-CZ 3.94Å; Y241-F254 HydrophobicContact CE2-CZ 3.94Å; Q250-F254 WeakPolarHBondContact O-CD2 3.45Å; E251-F254 PolarHBondContact O-N 3.21Å; G252-F254 PolarHBondContact O-N 3.42Å; G252-F254 VanDerWaalsContact O-N 3.16Å; F254-V260 PolarHBondContact O-N 2.95Å
255L97.5Very high96.9Very high136 Ų13651.5 Ų51.571%0.71228%0.281SS*.G310 helixtrans-89.2-12.1176.3-56179.3000112.7G252 T253G252-L255 WeakPolarHBondContact O-CB 3.31Å; G252-L255 PolarHBondContact O-N 3.47Å; T253-L255 PolarHBondContact O-N 2.94Å
256E97.5Very high96.7Very high55 Ų5549.7 Ų49.726%0.25727%0.265SS..SBendtrans-72.6169.4176-64.2-67165.700112.1T166 V190 I192 G252 T253 C258 G259T166-E256 HydrophobicContact CG2-CB 4.08Å; T166-E256 HydrophobicContact CG2-CG 4.31Å; T166-E256 WeakPolarHBondContact OG1-CB 3.46Å; V190-E256 WeakPolarHBondContact CG1-OE2 3.26Å; I192-E256 HydrophobicContact CD1-CG 4.42Å; I192-E256 HydrophobicContact CG2-CG 4.43Å; G252-E256 PolarHBondContact O-N 3.35Å; T253-E256 WeakPolarHBondContact O-CB 3.43Å; T253-E256 PolarHBondContact O-N 3.08Å; E256-C258 PolarHBondContact O-N 3Å; E256-G259 PolarHBondContact O-N 3.24Å
257S96.1Very high96.7Very high13 Ų1344.1 Ų44.19%0.09124%0.235CC..Iπ-helixtrans-56.1-37.1-179.9-172.20000113.2A151 E164 T166 G259 D262A151-S257 PolarHBondContact N-OG 2.8Å; E164-S257 PolarHBondContact O-OG 3.08Å; T166-S257 PolarHBondContact OG1-N 2.69Å; S257-G259 PolarHBondContact O-N 3.09Å; S257-D262 VanDerWaalsContact O-CB 3.27Å; S257-D262 WeakPolarHBondContact O-CB 3.22Å; S257-D262 PolarHBondContact O-N 2.9Å
258C97.6Very high96.6Very high0 Ų045.1 Ų45.10%024%0.239CC..Iπ-helixtrans-63.3-27.6176.660.50000114.4M149 T166 T198 C201 E256M149-C258 HydrophobicContact CB-CB 3.48Å; M149-C258 VanDerWaalsContact CB-CB 3.48Å; T166-C258 PolarHBondContact OG1-N 2.64Å; T198-C258 HydrophobicContact CG2-CB 3.91Å; C201-C258 VanDerWaalsContact CB-O 3.27Å; C201-C258 WeakPolarHBondContact CB-O 3.16Å; E256-C258 PolarHBondContact O-N 3Å
259G97.3Very high96.2Very high0 Ų039.2 Ų39.20%022%0.219CC..Iπ-helixtrans-88.8-101.3-177.300000111.5E256 S257 A261 L263E256-G259 PolarHBondContact O-N 3.24Å; S257-G259 PolarHBondContact O-N 3.09Å; G259-A261 PolarHBondContact O-N 2.83Å; G259-L263 WeakPolarHBondContact O-CB 3.38Å; G259-L263 PolarHBondContact O-N 3.33Å; G259-L263 VanDerWaalsContact O-N 3.15Å
260V96.9Very high95.7Very high51 Ų5140.9 Ų40.931%0.30924%0.239SC..Iπ-helixtrans-63-41.1-172.165.30000113.3F233 F254 I264F233-V260 HydrophobicContact CE2-CB 3.97Å; F233-V260 HydrophobicContact CZ-CB 4.33Å; F254-V260 PolarHBondContact O-N 2.95Å; V260-I264 HydrophobicContact CG2-CD1 3.86Å; V260-I264 VanDerWaalsContact O-CG1 3.3Å; V260-I264 WeakPolarHBondContact O-CG1 3.37Å; V260-I264 PolarHBondContact O-N 2.97Å
261A95.7Very high95.3Very high36 Ų3641.9 Ų41.930%0.29824%0.238SC..Iπ-helixtrans-69.3-49.1-175.500000111.6A151 G259 L263 I264 T265A151-A261 HydrophobicContact CB-CB 4.26Å; G259-A261 PolarHBondContact O-N 2.83Å; A261-L263 VanDerWaalsContact C-N 3.27Å; A261-L263 PolarHBondContact O-N 3.11Å; A261-I264 PolarHBondContact O-N 2.93Å; A261-T265 PolarHBondContact O-N 3.35Å; A261-T265 PolarHBondContact O-OG1 3.42Å
262D96.1Very high95.2Very high3 Ų337.7 Ų37.72%0.01622%0.219CC..Hα-helixtrans-63.7-36.2179.1-162.27.8000111.3K120 A151 K205 S257 T266K120-D262 IonicContact NZ-OD1 3.9Å; K120-D262 PolarHBondContact NZ-OD1 3.41Å; K120-D262 IonicContact NZ-OD2 2.94Å; K120-D262 PolarHBondContact NZ-OD2 3.12Å; A151-D262 HydrophobicContact CB-CB 4.32Å; K205-D262 HydrophobicContact CD-CB 3.92Å; K205-D262 VanDerWaalsContact CD-OD2 3.31Å; K205-D262 WeakPolarHBondContact CD-OD2 3.5Å; K205-D262 WeakPolarHBondContact CE-OD1 3.4Å; K205-D262 WeakPolarHBondContact CE-OD2 3.45Å; K205-D262 IonicContact NZ-OD1 2.99Å; K205-D262 PolarHBondContact NZ-OD1 3.41Å; K205-D262 IonicContact NZ-OD2 2.73Å; K205-D262 PolarHBondContact NZ-OD2 3.21Å; S257-D262 VanDerWaalsContact O-CB 3.27Å; S257-D262 WeakPolarHBondContact O-CB 3.22Å; S257-D262 PolarHBondContact O-N 2.9Å; D262-T266 WeakPolarHBondContact O-CB 3.44Å; D262-T266 PolarHBondContact O-N 2.86Å; D262-T266 PolarHBondContact O-OG1 2.97Å; D262-T266 PolarHBondContact OD1-OG1 3.05Å
263L97.5Very high95.1Very high1 Ų137 Ų371%0.00521%0.205CC..Hα-helixtrans-58.3-53.8172.5175.862.8000111.6K205 V208 I229 F233 M236 G259 A261 T266 C267K205-L263 HydrophobicContact CB-CB 4.32Å; K205-L263 HydrophobicContact CB-CD1 3.82Å; V208-L263 HydrophobicContact CB-CD1 3.63Å; V208-L263 HydrophobicContact CG1-CD1 3.74Å; V208-L263 HydrophobicContact CG2-CD1 4.13Å; I229-L263 HydrophobicContact CG2-CD2 4.04Å; I229-L263 HydrophobicContact CG2-CG 4.22Å; F233-L263 HydrophobicContact CB-CD2 3.61Å; F233-L263 HydrophobicContact CD2-CD2 3.8Å; F233-L263 HydrophobicContact CG-CD2 4.18Å; M236-L263 HydrophobicContact SD-CD1 4Å; M236-L263 HydrophobicContact SD-CD2 4.01Å; M236-L263 HydrophobicContact SD-CG 4.49Å; G259-L263 WeakPolarHBondContact O-CB 3.38Å; G259-L263 PolarHBondContact O-N 3.33Å; G259-L263 VanDerWaalsContact O-N 3.15Å; A261-L263 VanDerWaalsContact C-N 3.27Å; A261-L263 PolarHBondContact O-N 3.11Å; L263-T266 PolarHBondContact O-N 3.22Å; L263-C267 PolarHBondContact O-N 3.41Å; L263-C267 PolarHBondContact O-SG 3.48Å; L263-C267 VanDerWaalsContact O-SG 3.38Å
264I96.1Very high95Very high73 Ų7341.2 Ų41.237%0.37423%0.225SC..Hα-helixtrans-57.2-55.3-179.8-70.4167.1000110.1I229 V260 A261 T266 C267 Y268I229-I264 HydrophobicContact CG2-CG1 4.2Å; V260-I264 HydrophobicContact CG2-CD1 3.86Å; V260-I264 VanDerWaalsContact O-CG1 3.3Å; V260-I264 WeakPolarHBondContact O-CG1 3.37Å; V260-I264 PolarHBondContact O-N 2.97Å; A261-I264 PolarHBondContact O-N 2.93Å; I264-T266 PolarHBondContact O-N 2.89Å; I264-T266 VanDerWaalsContact O-N 3.13Å; I264-C267 PolarHBondContact O-N 3.49Å; I264-Y268 HydrophobicContact CG2-CD2 3.89Å; I264-Y268 HydrophobicContact CG2-CE2 3.99Å; I264-Y268 VanDerWaalsContact O-CD2 3.32Å; I264-Y268 WeakPolarHBondContact O-CD2 3.45Å; I264-Y268 PolarHBondContact O-N 3.17Å; I264-Y268 VanDerWaalsContact O-N 3.15Å
265T93.8Very high94.9Very high53 Ų5341 Ų4133%0.32522%0.224SC..Hα-helixtrans-55-38.1-178.1-610000112.1A151 L153 A261 G269A151-T265 HydrophobicContact CB-CG2 4.49Å; L153-T265 HydrophobicContact CD1-CG2 4.28Å; L153-T265 HydrophobicContact CG-CG2 4.22Å; A261-T265 PolarHBondContact O-N 3.35Å; A261-T265 PolarHBondContact O-OG1 3.42Å; T265-G269 PolarHBondContact O-N 3.45Å
266T93.1Very high94.9Very high17 Ų1734.6 Ų34.610%0.10419%0.19CC..Hα-helixtrans-77.6-30.6-179.7-47.30000113K205 A209 D262 L263 I264 Y268K205-T266 PolarHBondContact NZ-OG1 3.06Å; A209-T266 HydrophobicContact CB-CG2 3.56Å; A209-T266 WeakPolarHBondContact CB-O 3.46Å; D262-T266 WeakPolarHBondContact O-CB 3.44Å; D262-T266 PolarHBondContact O-N 2.86Å; D262-T266 PolarHBondContact O-OG1 2.97Å; D262-T266 PolarHBondContact OD1-OG1 3.05Å; L263-T266 PolarHBondContact O-N 3.22Å; I264-T266 PolarHBondContact O-N 2.89Å; I264-T266 VanDerWaalsContact O-N 3.13Å; T266-Y268 VanDerWaalsContact C-N 3.31Å
267C96.6Very high94.9Very high0 Ų033.7 Ų33.70%019%0.187CC..Hα-helixtrans-72.9-25.9176.1-73.70000112.6A212 I229 L263 I264A212-C267 HydrophobicContact CB-CB 3.77Å; I229-C267 HydrophobicContact CD1-CB 3.75Å; I229-C267 HydrophobicContact CG1-CB 3.68Å; L263-C267 PolarHBondContact O-N 3.41Å; L263-C267 PolarHBondContact O-SG 3.48Å; L263-C267 VanDerWaalsContact O-SG 3.38Å; I264-C267 PolarHBondContact O-N 3.49Å
268Y93.9Very high94.9Very high112 Ų11233.3 Ų33.344%0.43918%0.184SC..Hα-helixtrans-86.8-15.5177-79.2-84.1000114K225 I229 I264 T266 K273K225-Y268 HydrophobicContact CD-CD1 4.38Å; K225-Y268 HydrophobicContact CD-CE1 4.03Å; I229-Y268 HydrophobicContact CD1-CD2 4.41Å; I229-Y268 HydrophobicContact CD1-CE2 3.79Å; I264-Y268 HydrophobicContact CG2-CD2 3.89Å; I264-Y268 HydrophobicContact CG2-CE2 3.99Å; I264-Y268 VanDerWaalsContact O-CD2 3.32Å; I264-Y268 WeakPolarHBondContact O-CD2 3.45Å; I264-Y268 PolarHBondContact O-N 3.17Å; I264-Y268 VanDerWaalsContact O-N 3.15Å; T266-Y268 VanDerWaalsContact C-N 3.31Å; Y268-K273 WeakPolarHBondContact O-CD 3.48Å
269G87.3Confident94.9Very high26 Ų2633.3 Ų33.327%0.26818%0.184SC..SBendtrans-156177.4-176.400000116.2T265T265-G269 PolarHBondContact O-N 3.45Å
270G86.7Confident94.9Very high48 Ų4834.1 Ų34.150%0.49519%0.191SC..Hα-helixtrans81.9-177.717300000115.9N272 K273 Q274G270-N272 PolarHBondContact O-N 3.24Å; G270-K273 PolarHBondContact O-N 2.87Å; G270-Q274 WeakPolarHBondContact O-CG 3.33Å; G270-Q274 PolarHBondContact O-N 2.79Å
271R90.4Very high94.9Very high113 Ų11335.9 Ų35.943%0.42620%0.202SC..Hα-helixtrans-61.7-39.8-167-70.6172.2-75.3166.9-7.7114.1Q274 M275 L294 S298 A299R271-Q274 PolarHBondContact O-N 3.36Å; R271-M275 WeakPolarHBondContact O-CB 3.44Å; R271-M275 PolarHBondContact O-N 2.94Å; R271-L294 HydrophobicContact CB-CD1 4Å; R271-L294 HydrophobicContact CB-CD2 4.24Å; R271-L294 HydrophobicContact CG-CD1 4.28Å; R271-L294 HydrophobicContact CG-CD2 4.23Å; R271-S298 PolarHBondContact NH1-O 3.45Å; R271-A299 HydrophobicContact CB-CB 4.36Å
272N95Very high94.9Very high12 Ų1235.3 Ų35.36%0.06420%0.195CC..Hα-helixtrans-67-42.6-178-66-42.2000111.6N206 A209 V210 G270 M275 G276 Q300 G301N206-N272 WeakPolarHBondContact CB-ND2 3.43Å; N206-N272 VanDerWaalsContact CG-ND2 3.31Å; N206-N272 PolarHBondContact OD1-ND2 2.83Å; A209-N272 HydrophobicContact CB-CB 3.67Å; V210-N272 WeakPolarHBondContact CA-O 3.27Å; V210-N272 HydrophobicContact CG2-CB 3.93Å; G270-N272 PolarHBondContact O-N 3.24Å; N272-M275 WeakPolarHBondContact O-CB 3.42Å; N272-M275 PolarHBondContact O-N 3.44Å; N272-G276 PolarHBondContact O-N 2.99Å; N272-Q300 PolarHBondContact OD1-N 3.49Å; N272-G301 PolarHBondContact OD1-N 3.26Å
273K96Very high94.7Very high25 Ų2542 Ų4211%0.10923%0.23CC..Hα-helixtrans-59.1-49.1172.3-179-161.7160.2178.10111.1A209 G213 E216 Y268 G270 M275 G276 I277A209-K273 WeakPolarHBondContact O-CA 3.24Å; G213-K273 VanDerWaalsContact CA-O 3.31Å; G213-K273 WeakPolarHBondContact CA-O 3.48Å; E216-K273 VanDerWaalsContact CD-NZ 3.27Å; E216-K273 WeakPolarHBondContact OE1-CE 3.45Å; E216-K273 IonicContact OE1-NZ 2.77Å; E216-K273 PolarHBondContact OE1-NZ 3.15Å; E216-K273 WeakPolarHBondContact OE2-CE 3.47Å; E216-K273 IonicContact OE2-NZ 3.35Å; E216-K273 PolarHBondContact OE2-NZ 3.27Å; Y268-K273 WeakPolarHBondContact O-CD 3.48Å; G270-K273 PolarHBondContact O-N 2.87Å; K273-M275 VanDerWaalsContact C-N 3.27Å; K273-M275 PolarHBondContact O-N 3.21Å; K273-G276 PolarHBondContact O-N 3.35Å; K273-G276 VanDerWaalsContact O-N 3.08Å; K273-I277 HydrophobicContact CG-CD1 4.41Å; K273-I277 PolarHBondContact O-N 3.47Å
274Q95.7Very high94.5Very high88 Ų8844.2 Ų44.241%0.41124%0.241SC..Hα-helixtrans-60.2-38.5178.8-67.4-59.3-34.300112.2G270 R271 I277 A278 L294G270-Q274 WeakPolarHBondContact O-CG 3.33Å; G270-Q274 PolarHBondContact O-N 2.79Å; R271-Q274 PolarHBondContact O-N 3.36Å; Q274-I277 PolarHBondContact O-N 2.73Å; Q274-A278 PolarHBondContact O-N 3.08Å; Q274-L294 HydrophobicContact CB-CD2 3.76Å
275M95.7Very high94.3Very high0 Ų044.5 Ų44.50%025%0.248CC..Hα-helixtrans-63.1-43.3173.2-172.856.861.900111.7R271 N272 K273 I277 A278 L279 L286 L289 E290 L294 A299 P302R271-M275 WeakPolarHBondContact O-CB 3.44Å; R271-M275 PolarHBondContact O-N 2.94Å; N272-M275 WeakPolarHBondContact O-CB 3.42Å; N272-M275 PolarHBondContact O-N 3.44Å; K273-M275 VanDerWaalsContact C-N 3.27Å; K273-M275 PolarHBondContact O-N 3.21Å; M275-I277 PolarHBondContact O-N 3.05Å; M275-A278 PolarHBondContact O-N 3.34Å; M275-L279 HydrophobicContact CG-CD1 4.18Å; M275-L279 HydrophobicContact CG-CG 4.42Å; M275-L279 WeakPolarHBondContact O-CB 3.31Å; M275-L279 VanDerWaalsContact O-CG 3.29Å; M275-L279 WeakPolarHBondContact O-CG 3.14Å; M275-L279 PolarHBondContact O-N 2.81Å; M275-L279 HydrophobicContact SD-CG 4.49Å; M275-L286 HydrophobicContact CG-CD2 4.22Å; M275-L286 HydrophobicContact SD-CD2 3.64Å; M275-L289 HydrophobicContact CE-CB 3.9Å; M275-L289 HydrophobicContact SD-CB 3.74Å; M275-L289 HydrophobicContact SD-CD1 3.85Å; M275-L289 HydrophobicContact SD-CG 4.47Å; M275-E290 HydrophobicContact CE-CB 4.37Å; M275-E290 HydrophobicContact CE-CG 3.45Å; M275-E290 VanDerWaalsContact CE-CG 3.45Å; M275-L294 HydrophobicContact CE-CD1 3.65Å; M275-L294 HydrophobicContact CE-CG 4.24Å; M275-A299 HydrophobicContact CB-CB 4.13Å; M275-A299 HydrophobicContact CE-CB 4.3Å; M275-A299 HydrophobicContact CG-CB 4.38Å; M275-P302 HydrophobicContact CG-CG 4Å
276G97.7Very high94.2Very high0 Ų044.1 Ų44.10%024%0.243CC..Hα-helixtrans-59-44.4175.400000113.3V210 G213 V214 N272 K273 A278 L279 A280V210-G276 WeakPolarHBondContact O-CA 3.13Å; G213-G276 CarbonylContact O-C 3.56Å; V214-G276 WeakPolarHBondContact CA-O 3.33Å; V214-G276 WeakPolarHBondContact CG2-O 3.4Å; N272-G276 PolarHBondContact O-N 2.99Å; K273-G276 PolarHBondContact O-N 3.35Å; K273-G276 VanDerWaalsContact O-N 3.08Å; G276-A278 VanDerWaalsContact C-N 3.34Å; G276-A278 PolarHBondContact O-N 3.31Å; G276-L279 PolarHBondContact O-N 3.19Å; G276-A280 PolarHBondContact O-N 2.88Å; G276-A280 VanDerWaalsContact O-N 3.09Å
277I97.6Very high94.1Very high37 Ų3746.9 Ų46.919%0.1927%0.268CS..Hα-helixtrans-58.7-49.3175.3-67.3169.4000109.7G213 E216 K273 Q274 M275 L279 A280 T281G213-I277 WeakPolarHBondContact O-CA 3.39Å; G213-I277 VanDerWaalsContact O-CG1 3.26Å; G213-I277 WeakPolarHBondContact O-CG1 3.3Å; G213-I277 PolarHBondContact O-N 3.38Å; E216-I277 HydrophobicContact CB-CG1 4.32Å; E216-I277 HydrophobicContact CG-CD1 4.34Å; K273-I277 HydrophobicContact CG-CD1 4.41Å; K273-I277 PolarHBondContact O-N 3.47Å; Q274-I277 PolarHBondContact O-N 2.73Å; M275-I277 PolarHBondContact O-N 3.05Å; I277-L279 VanDerWaalsContact C-N 3.35Å; I277-L279 PolarHBondContact O-N 2.95Å; I277-A280 PolarHBondContact O-N 2.67Å; I277-A280 VanDerWaalsContact O-N 3.12Å; I277-T281 HydrophobicContact CG2-CG2 4.5Å; I277-T281 WeakPolarHBondContact O-CG2 3.31Å; I277-T281 PolarHBondContact O-N 3.31Å; I277-T281 PolarHBondContact O-OG1 3.48Å; I277-T281 VanDerWaalsContact O-OG1 3.11Å
278A96.7Very high93.9Very high4 Ų450 Ų503%0.03328%0.282CS..Hα-helixtrans-61.7-41.2-179.800000112.7Q274 M275 G276 A280 T281 T282 L289 R293Q274-A278 PolarHBondContact O-N 3.08Å; M275-A278 PolarHBondContact O-N 3.34Å; G276-A278 VanDerWaalsContact C-N 3.34Å; G276-A278 PolarHBondContact O-N 3.31Å; A278-A280 VanDerWaalsContact C-N 3.25Å; A278-A280 PolarHBondContact O-N 3.45Å; A278-T281 PolarHBondContact O-N 3.26Å; A278-T282 PolarHBondContact O-N 3.22Å; A278-T282 PolarHBondContact O-OG1 3.18Å; A278-L289 HydrophobicContact CB-CD1 3.89Å; A278-L289 HydrophobicContact CB-CD2 3.83Å; A278-L289 HydrophobicContact CB-CG 4.34Å; A278-R293 HydrophobicContact CB-CG 4.18Å
279L97.1Very high93.9Very high0 Ų044.7 Ų44.70%026%0.262CS..Hα-helixtrans-60.9-33.7175.5-74.4171.2000112.6V210 M275 G276 I277 L286 L289 R333 P337V210-L279 HydrophobicContact CG1-CD1 3.78Å; M275-L279 HydrophobicContact CG-CD1 4.18Å; M275-L279 HydrophobicContact CG-CG 4.42Å; M275-L279 WeakPolarHBondContact O-CB 3.31Å; M275-L279 VanDerWaalsContact O-CG 3.29Å; M275-L279 WeakPolarHBondContact O-CG 3.14Å; M275-L279 PolarHBondContact O-N 2.81Å; M275-L279 HydrophobicContact SD-CG 4.49Å; G276-L279 PolarHBondContact O-N 3.19Å; I277-L279 VanDerWaalsContact C-N 3.35Å; I277-L279 PolarHBondContact O-N 2.95Å; L279-L286 HydrophobicContact CD1-CD2 4.48Å; L279-L286 HydrophobicContact CD2-CD2 3.86Å; L279-L286 HydrophobicContact CG-CD2 4.46Å; L279-L289 HydrophobicContact CD2-CD1 4.12Å; L279-L289 HydrophobicContact CG-CD1 4.43Å; L279-R333 PolarHBondContact O-NH1 3.35Å; L279-P337 WeakPolarHBondContact O-CG 3.47Å
280A97.5Very high94.1Very high18 Ų1845.4 Ų45.415%0.14926%0.258CS..Hα-helixtrans-77.4-31.6177.300000113.5V214 L218 G276 I277 A278 P337V214-A280 HydrophobicContact CG1-CB 4.31Å; V214-A280 WeakPolarHBondContact O-CB 3.23Å; L218-A280 HydrophobicContact CD2-CB 4.24Å; L218-A280 HydrophobicContact CG-CB 4.01Å; G276-A280 PolarHBondContact O-N 2.88Å; G276-A280 VanDerWaalsContact O-N 3.09Å; I277-A280 PolarHBondContact O-N 2.67Å; I277-A280 VanDerWaalsContact O-N 3.12Å; A278-A280 VanDerWaalsContact C-N 3.25Å; A278-A280 PolarHBondContact O-N 3.45Å; A280-P337 HydrophobicContact CB-CB 4.35Å
281T96.7Very high94.3Very high87 Ų8750.6 Ų50.653%0.53427%0.267SS..Hα-helixtrans-100.8-14.2-172.760.20000114.6G217 I277 A278G217-T281 WeakPolarHBondContact O-CG2 3.27Å; I277-T281 HydrophobicContact CG2-CG2 4.5Å; I277-T281 WeakPolarHBondContact O-CG2 3.31Å; I277-T281 PolarHBondContact O-N 3.31Å; I277-T281 PolarHBondContact O-OG1 3.48Å; I277-T281 VanDerWaalsContact O-OG1 3.11Å; A278-T281 PolarHBondContact O-N 3.26Å
282T95.4Very high94.2Very high25 Ų2549.5 Ų49.515%0.15327%0.267CS..  trans-138163.6-178.293.20000112.3A278 E284 R333A278-T282 PolarHBondContact O-N 3.22Å; A278-T282 PolarHBondContact O-OG1 3.18Å; T282-E284 PolarHBondContact OG1-N 3.06Å; T282-E284 PolarHBondContact OG1-OE2 3.2Å; T282-R333 VanDerWaalsContact O-CZ 3.25Å; T282-R333 PolarHBondContact O-NH1 3.26Å; T282-R333 PolarHBondContact O-NH2 3.04Å
283N92.2Very high93.8Very high142 Ų14255.2 Ų55.276%0.75929%0.287SS*.  trans-105.513175.3-71.2-33.7000113.1
284E93Very high93.3Very high49 Ų4954.5 Ų54.523%0.22929%0.285CS..  trans-70.1150-175.9-68.4161148.400111.5T282 Q288 L289 R333T282-E284 PolarHBondContact OG1-N 3.06Å; T282-E284 PolarHBondContact OG1-OE2 3.2Å; E284-Q288 PolarHBondContact OE1-NE2 3.29Å; E284-L289 HydrophobicContact CB-CD2 3.88Å; E284-L289 HydrophobicContact CB-CG 4.11Å; E284-L289 VanDerWaalsContact OE2-CD2 3.26Å; E284-L289 WeakPolarHBondContact OE2-CD2 3.16Å; E284-R333 PolarHBondContact O-NE 3.28Å; E284-R333 PolarHBondContact O-NH2 3.24Å
285P92.4Very high92.6Very high79 Ų7958 Ų5851%0.51330%0.301SS..  trans-65.5150.5174.627.9-34000111.1A287 Q288 L289P285-A287 VanDerWaalsContact C-N 3.28Å; P285-A287 PolarHBondContact O-N 3.02Å; P285-Q288 HydrophobicContact CG-CB 3.93Å; P285-Q288 WeakPolarHBondContact O-CB 3.48Å; P285-Q288 PolarHBondContact O-N 3.17Å; P285-L289 PolarHBondContact O-N 2.97Å; P285-L289 VanDerWaalsContact O-N 3.11Å
286L91.3Very high91.6Very high44 Ų4460.6 Ų60.623%0.2333%0.328CS..Hα-helixtrans-52.1-43.6-177.6-75.1176.6000113.5M275 L279 Q288 L289 E290 P302 C331M275-L286 HydrophobicContact CG-CD2 4.22Å; M275-L286 HydrophobicContact SD-CD2 3.64Å; L279-L286 HydrophobicContact CD1-CD2 4.48Å; L279-L286 HydrophobicContact CD2-CD2 3.86Å; L279-L286 HydrophobicContact CG-CD2 4.46Å; L286-Q288 PolarHBondContact O-N 2.91Å; L286-L289 WeakPolarHBondContact O-CB 3.42Å; L286-L289 PolarHBondContact O-N 3.21Å; L286-L289 VanDerWaalsContact O-N 3.08Å; L286-E290 WeakPolarHBondContact O-CG 3.45Å; L286-E290 PolarHBondContact O-N 3.18Å; L286-P302 HydrophobicContact CD1-CB 3.79Å; L286-P302 HydrophobicContact CD1-CG 4.42Å; L286-P302 HydrophobicContact CD2-CB 4.45Å; L286-P302 HydrophobicContact CD2-CG 4.21Å; L286-C331 HydrophobicContact CD1-CB 3.88Å
287A90.4Very high90.7Very high75 Ų7565.7 Ų65.762%0.6235%0.351SS*.Hα-helixtrans-60.1-34.2-179.800000112.5P285 K291P285-A287 VanDerWaalsContact C-N 3.28Å; P285-A287 PolarHBondContact O-N 3.02Å; A287-K291 WeakPolarHBondContact O-CB 3.35Å; A287-K291 PolarHBondContact O-N 3.04Å
288Q94.1Very high90Very high66 Ų6665.5 Ų65.531%0.30835%0.353SS..Hα-helixtrans-72.7-43.5174.7-174.6-179.2-13.800110.7E284 P285 L286 E290 K291 E292E284-Q288 PolarHBondContact OE1-NE2 3.29Å; P285-Q288 HydrophobicContact CG-CB 3.93Å; P285-Q288 WeakPolarHBondContact O-CB 3.48Å; P285-Q288 PolarHBondContact O-N 3.17Å; L286-Q288 PolarHBondContact O-N 2.91Å; Q288-E290 PolarHBondContact O-N 2.94Å; Q288-K291 WeakPolarHBondContact O-CB 3.32Å; Q288-K291 PolarHBondContact O-N 3.35Å; Q288-E292 HydrophobicContact CG-CG 4.28Å; Q288-E292 WeakPolarHBondContact CG-OE1 3.2Å; Q288-E292 PolarHBondContact NE2-OE1 3.06Å; Q288-E292 WeakPolarHBondContact O-CB 3.1Å; Q288-E292 WeakPolarHBondContact O-CG 3.01Å; Q288-E292 PolarHBondContact O-N 3.25Å
289L93Very high89.6Confident0 Ų065.3 Ų65.30%035%0.352CS..Hα-helixtrans-60.3-42.4176.4-67.3-177.1000112.6M275 A278 L279 E284 P285 L286 K291 E292 R293M275-L289 HydrophobicContact CE-CB 3.9Å; M275-L289 HydrophobicContact SD-CB 3.74Å; M275-L289 HydrophobicContact SD-CD1 3.85Å; M275-L289 HydrophobicContact SD-CG 4.47Å; A278-L289 HydrophobicContact CB-CD1 3.89Å; A278-L289 HydrophobicContact CB-CD2 3.83Å; A278-L289 HydrophobicContact CB-CG 4.34Å; L279-L289 HydrophobicContact CD2-CD1 4.12Å; L279-L289 HydrophobicContact CG-CD1 4.43Å; E284-L289 HydrophobicContact CB-CD2 3.88Å; E284-L289 HydrophobicContact CB-CG 4.11Å; E284-L289 VanDerWaalsContact OE2-CD2 3.26Å; E284-L289 WeakPolarHBondContact OE2-CD2 3.16Å; P285-L289 PolarHBondContact O-N 2.97Å; P285-L289 VanDerWaalsContact O-N 3.11Å; L286-L289 WeakPolarHBondContact O-CB 3.42Å; L286-L289 PolarHBondContact O-N 3.21Å; L286-L289 VanDerWaalsContact O-N 3.08Å; L289-K291 VanDerWaalsContact C-N 3.34Å; L289-E292 PolarHBondContact O-N 3.43Å; L289-R293 HydrophobicContact CD2-CG 4.22Å; L289-R293 WeakPolarHBondContact O-CA 3.32Å; L289-R293 WeakPolarHBondContact O-CB 3.36Å; L289-R293 PolarHBondContact O-N 2.98Å
290E90.8Very high89.2Confident41 Ų4166.7 Ų66.719%0.19236%0.358CS..Hα-helixtrans-63.2-42.3175.6-69.9-172.8144.900111.3M275 L286 Q288 L294 H295 G296 S298 A299M275-E290 HydrophobicContact CE-CB 4.37Å; M275-E290 HydrophobicContact CE-CG 3.45Å; M275-E290 VanDerWaalsContact CE-CG 3.45Å; L286-E290 WeakPolarHBondContact O-CG 3.45Å; L286-E290 PolarHBondContact O-N 3.18Å; Q288-E290 PolarHBondContact O-N 2.94Å; E290-L294 HydrophobicContact CG-CD1 4.31Å; E290-L294 CarbonylContact O-C 3.6Å; E290-L294 VanDerWaalsContact O-C 3.3Å; E290-L294 WeakPolarHBondContact O-CA 3.41Å; E290-L294 WeakPolarHBondContact O-CB 3.23Å; E290-L294 PolarHBondContact O-N 3.25Å; E290-H295 PolarHBondContact O-N 3.04Å; E290-G296 PolarHBondContact O-N 2.85Å; E290-S298 WeakPolarHBondContact OE1-CA 3.5Å; E290-S298 WeakPolarHBondContact OE1-CB 3.36Å; E290-S298 PolarHBondContact OE1-OG 3.35Å; E290-A299 PolarHBondContact OE1-N 3.2Å
291K90.9Very high89Confident157 Ų15765.8 Ų65.868%0.68335%0.351SS*.Hα-helixtrans-63-48.3177.5-174.3179.5177.7-175.70112.1A287 Q288 L289 H295 G296A287-K291 WeakPolarHBondContact O-CB 3.35Å; A287-K291 PolarHBondContact O-N 3.04Å; Q288-K291 WeakPolarHBondContact O-CB 3.32Å; Q288-K291 PolarHBondContact O-N 3.35Å; L289-K291 VanDerWaalsContact C-N 3.34Å; K291-H295 WeakPolarHBondContact O-CA 3.47Å; K291-H295 PolarHBondContact O-N 2.75Å; K291-G296 PolarHBondContact O-N 2.82Å
292E90Very high88.9Confident91 Ų9162 Ų6243%0.42533%0.328SS..Hα-helixtrans-86.5-43.6-170.6-67.7176.3-173.500113.2Q288 L289Q288-E292 HydrophobicContact CG-CG 4.28Å; Q288-E292 WeakPolarHBondContact CG-OE1 3.2Å; Q288-E292 PolarHBondContact NE2-OE1 3.06Å; Q288-E292 WeakPolarHBondContact O-CB 3.1Å; Q288-E292 WeakPolarHBondContact O-CG 3.01Å; Q288-E292 PolarHBondContact O-N 3.25Å; L289-E292 PolarHBondContact O-N 3.43Å
293R86.1Confident88.7Confident131 Ų13164.4 Ų64.449%0.49434%0.34SS..Hα-helixtrans-91.8-27.9-174.8-53-62.9179.8171.1-2.1113.1A278 L289A278-R293 HydrophobicContact CB-CG 4.18Å; L289-R293 HydrophobicContact CD2-CG 4.22Å; L289-R293 WeakPolarHBondContact O-CA 3.32Å; L289-R293 WeakPolarHBondContact O-CB 3.36Å; L289-R293 PolarHBondContact O-N 2.98Å
294L84.8Confident88.7Confident10 Ų1057.7 Ų57.75%0.05230%0.304CS..SBendtrans-112.411.6-178.4-51.2-175.9000112.9R271 Q274 M275 E290 G296 Q297 A299R271-L294 HydrophobicContact CB-CD1 4Å; R271-L294 HydrophobicContact CB-CD2 4.24Å; R271-L294 HydrophobicContact CG-CD1 4.28Å; R271-L294 HydrophobicContact CG-CD2 4.23Å; Q274-L294 HydrophobicContact CB-CD2 3.76Å; M275-L294 HydrophobicContact CE-CD1 3.65Å; M275-L294 HydrophobicContact CE-CG 4.24Å; E290-L294 HydrophobicContact CG-CD1 4.31Å; E290-L294 CarbonylContact O-C 3.6Å; E290-L294 VanDerWaalsContact O-C 3.3Å; E290-L294 WeakPolarHBondContact O-CA 3.41Å; E290-L294 WeakPolarHBondContact O-CB 3.23Å; E290-L294 PolarHBondContact O-N 3.25Å; L294-G296 PolarHBondContact O-N 3.09Å; L294-Q297 HydrophobicContact CB-CB 4.29Å; L294-Q297 WeakPolarHBondContact CB-O 3.38Å; L294-Q297 WeakPolarHBondContact CD1-O 3.49Å; L294-Q297 VanDerWaalsContact O-CB 3.29Å; L294-Q297 WeakPolarHBondContact O-CB 3.35Å; L294-Q297 WeakPolarHBondContact O-CG 3.26Å; L294-Q297 PolarHBondContact O-N 2.97Å; L294-A299 HydrophobicContact CD1-CB 3.83Å
295H81.8Confident88.8Confident162 Ų16255.3 Ų55.375%0.7529%0.293SS*.THydrogen-bonded Turntrans53.539.5179.4-51.9-65.5000113.1E290 K291 Q297E290-H295 PolarHBondContact O-N 3.04Å; K291-H295 WeakPolarHBondContact O-CA 3.47Å; K291-H295 PolarHBondContact O-N 2.75Å; H295-Q297 VanDerWaalsContact C-N 3.31Å; H295-Q297 PolarHBondContact O-N 3.37Å
296G75.3Confident88.9Confident55 Ų5553.4 Ų53.457%0.56728%0.283SS*.THydrogen-bonded Turntrans81.72-178.800000114.8E290 K291 L294E290-G296 PolarHBondContact O-N 2.85Å; K291-G296 PolarHBondContact O-N 2.82Å; L294-G296 PolarHBondContact O-N 3.09Å
297Q78.8Confident89Confident106 Ų10652.2 Ų52.250%0.49528%0.277SS..PPolyproline II helixtrans-80.8134172.8-60.5-18043.500110.7L294 H295L294-Q297 HydrophobicContact CB-CB 4.29Å; L294-Q297 WeakPolarHBondContact CB-O 3.38Å; L294-Q297 WeakPolarHBondContact CD1-O 3.49Å; L294-Q297 VanDerWaalsContact O-CB 3.29Å; L294-Q297 WeakPolarHBondContact O-CB 3.35Å; L294-Q297 WeakPolarHBondContact O-CG 3.26Å; L294-Q297 PolarHBondContact O-N 2.97Å; H295-Q297 VanDerWaalsContact C-N 3.31Å; H295-Q297 PolarHBondContact O-N 3.37Å
298S82.6Confident89.3Confident33 Ų3348.7 Ų48.723%0.23125%0.247CC..PPolyproline II helixtrans-78.5143176.3177.70000112.7R271 E290R271-S298 PolarHBondContact NH1-O 3.45Å; E290-S298 WeakPolarHBondContact OE1-CA 3.5Å; E290-S298 WeakPolarHBondContact OE1-CB 3.36Å; E290-S298 PolarHBondContact OE1-OG 3.35Å
299A88.1Confident89.4Confident1 Ų146.5 Ų46.51%0.00824%0.236CC..PPolyproline II helixtrans-92.5132.1168.500000109.8R271 M275 E290 L294 P302R271-A299 HydrophobicContact CB-CB 4.36Å; M275-A299 HydrophobicContact CB-CB 4.13Å; M275-A299 HydrophobicContact CE-CB 4.3Å; M275-A299 HydrophobicContact CG-CB 4.38Å; E290-A299 PolarHBondContact OE1-N 3.2Å; L294-A299 HydrophobicContact CD1-CB 3.83Å; A299-P302 HydrophobicContact CB-CG 4.43Å; A299-P302 WeakPolarHBondContact O-CD 3.3Å
300Q88.5Confident89.4Confident28 Ų2847.9 Ų47.913%0.13125%0.247CC..Hα-helixtrans-80.3-26.7-176.2-61-64.4-74.600112.6H95 N272 L303 T304H95-Q300 PolarHBondContact CE1-OE1 2.87Å; H95-Q300 PolarHBondContact ND1-OE1 3.45Å; N272-Q300 PolarHBondContact OD1-N 3.49Å; Q300-L303 PolarHBondContact O-N 3.08Å; Q300-L303 VanDerWaalsContact O-N 3.12Å; Q300-T304 PolarHBondContact O-N 3.43Å; Q300-T304 PolarHBondContact O-OG1 3.27Å; Q300-T304 VanDerWaalsContact O-OG1 3.14Å
301G93.5Very high89.6Confident0 Ų047 Ų470%024%0.244CC..Hα-helixtrans-53.6-48.8-177.700000114N272 L303 T304 A305N272-G301 PolarHBondContact OD1-N 3.26Å; G301-L303 VanDerWaalsContact C-N 3.35Å; G301-L303 PolarHBondContact O-N 3.38Å; G301-T304 PolarHBondContact O-N 3.12Å; G301-A305 VanDerWaalsContact O-CB 3.22Å; G301-A305 WeakPolarHBondContact O-CB 3.47Å; G301-A305 PolarHBondContact O-N 2.92Å
302P94Very high89.9Confident8 Ų839.5 Ų39.55%0.05221%0.211CC..Hα-helixtrans-57.7-40.7175.1-28.836.4000114.6M275 L286 A299 A306 C331M275-P302 HydrophobicContact CG-CG 4Å; L286-P302 HydrophobicContact CD1-CB 3.79Å; L286-P302 HydrophobicContact CD1-CG 4.42Å; L286-P302 HydrophobicContact CD2-CB 4.45Å; L286-P302 HydrophobicContact CD2-CG 4.21Å; A299-P302 HydrophobicContact CB-CG 4.43Å; A299-P302 WeakPolarHBondContact O-CD 3.3Å; P302-A306 PolarHBondContact O-N 2.89Å; P302-A306 VanDerWaalsContact O-N 3.08Å; P302-C331 HydrophobicContact CB-CB 4.49Å
303L90.2Very high90.2Very high75 Ų7540.2 Ų40.239%0.39321%0.214SC..Hα-helixtrans-66.3-53.4177.8-65.3173.7000110.1Q300 G301 A305 A306 E307Q300-L303 PolarHBondContact O-N 3.08Å; Q300-L303 VanDerWaalsContact O-N 3.12Å; G301-L303 VanDerWaalsContact C-N 3.35Å; G301-L303 PolarHBondContact O-N 3.38Å; L303-A305 PolarHBondContact O-N 3.36Å; L303-A306 WeakPolarHBondContact O-CB 3.43Å; L303-A306 PolarHBondContact O-N 3.28Å; L303-E307 WeakPolarHBondContact O-CG 3.47Å; L303-E307 PolarHBondContact O-N 3.46Å; L303-E307 VanDerWaalsContact O-N 3.08Å
304T92.9Very high90.4Very high0 Ų041.3 Ų41.30%022%0.219CC..Hα-helixtrans-59-36.7178.1-490000111.8L122 A203 I207 Q300 G301 E307 V308L122-T304 HydrophobicContact CD1-CG2 3.76Å; L122-T304 HydrophobicContact CG-CG2 4.24Å; A203-T304 HydrophobicContact CB-CG2 4.37Å; I207-T304 HydrophobicContact CD1-CG2 3.9Å; I207-T304 HydrophobicContact CG1-CG2 4.04Å; Q300-T304 PolarHBondContact O-N 3.43Å; Q300-T304 PolarHBondContact O-OG1 3.27Å; Q300-T304 VanDerWaalsContact O-OG1 3.14Å; G301-T304 PolarHBondContact O-N 3.12Å; T304-E307 WeakPolarHBondContact CA-OE2 3.07Å; T304-E307 PolarHBondContact O-N 3.35Å; T304-V308 HydrophobicContact CG2-CG2 4.45Å; T304-V308 WeakPolarHBondContact O-CB 3.42Å; T304-V308 VanDerWaalsContact O-CG2 3.31Å; T304-V308 WeakPolarHBondContact O-CG2 3.45Å; T304-V308 PolarHBondContact O-N 3.3Å
305A96.1Very high90.9Very high0 Ų046.6 Ų46.60%024%0.241CC..Hα-helixtrans-64.4-38.9175.800000112.3I207 G301 L303 Y309 V327 H328I207-A305 HydrophobicContact CD1-CB 4.33Å; I207-A305 HydrophobicContact CG1-CB 4.11Å; I207-A305 HydrophobicContact CG2-CB 4.12Å; G301-A305 VanDerWaalsContact O-CB 3.22Å; G301-A305 WeakPolarHBondContact O-CB 3.47Å; G301-A305 PolarHBondContact O-N 2.92Å; L303-A305 PolarHBondContact O-N 3.36Å; A305-Y309 WeakPolarHBondContact O-CB 3.26Å; A305-Y309 PolarHBondContact O-N 3.46Å; A305-V327 HydrophobicContact CB-CG1 3.87Å; A305-H328 HydrophobicContact CB-CB 4.19Å
306A94Very high91.6Very high38 Ų3842 Ų4231%0.31424%0.238SC..Hα-helixtrans-65.7-40.917500000112.4P302 L303 Y309 A310 H328P302-A306 PolarHBondContact O-N 2.89Å; P302-A306 VanDerWaalsContact O-N 3.08Å; L303-A306 WeakPolarHBondContact O-CB 3.43Å; L303-A306 PolarHBondContact O-N 3.28Å; A306-Y309 PolarHBondContact O-N 2.98Å; A306-A310 PolarHBondContact O-N 3.32Å; A306-H328 VanDerWaalsContact CA-ND1 3.28Å; A306-H328 WeakPolarHBondContact CA-ND1 3.31Å
307E92.9Very high92.7Very high20 Ų2041.3 Ų41.39%0.09322%0.221CC..Hα-helixtrans-66.1-45.3178.5-58.6174.2130.100111.5L122 L124 L303 T304 A310 M311L122-E307 WeakPolarHBondContact CB-OE2 3.38Å; L124-E307 HydrophobicContact CD1-CG 4.17Å; L124-E307 HydrophobicContact CD2-CB 3.88Å; L124-E307 HydrophobicContact CD2-CG 4.06Å; L124-E307 HydrophobicContact CG-CB 4.22Å; L124-E307 HydrophobicContact CG-CG 3.81Å; L303-E307 WeakPolarHBondContact O-CG 3.47Å; L303-E307 PolarHBondContact O-N 3.46Å; L303-E307 VanDerWaalsContact O-N 3.08Å; T304-E307 WeakPolarHBondContact CA-OE2 3.07Å; T304-E307 PolarHBondContact O-N 3.35Å; E307-A310 PolarHBondContact O-N 3.32Å; E307-M311 PolarHBondContact O-N 2.98Å
308V96Very high93.6Very high0 Ų037.9 Ų37.90%021%0.206CC..Hα-helixtrans-63.7-44.8175.2168.70000111.2L122 I130 L204 I207 F239 T304 A310 M311 L312 F324L122-V308 HydrophobicContact CD1-CG2 4.24Å; I130-V308 HydrophobicContact CD1-CB 4.45Å; I130-V308 HydrophobicContact CD1-CG2 3.76Å; L204-V308 HydrophobicContact CD2-CG2 3.55Å; I207-V308 HydrophobicContact CD1-CB 4.06Å; I207-V308 HydrophobicContact CD1-CG1 4.44Å; I207-V308 HydrophobicContact CD1-CG2 3.78Å; F239-V308 HydrophobicContact CD2-CG1 4.19Å; F239-V308 HydrophobicContact CE2-CG1 3.77Å; F239-V308 HydrophobicContact CE2-CG2 4.37Å; F239-V308 HydrophobicContact CZ-CG1 4.46Å; F239-V308 HydrophobicContact CZ-CG2 4.29Å; T304-V308 HydrophobicContact CG2-CG2 4.45Å; T304-V308 WeakPolarHBondContact O-CB 3.42Å; T304-V308 VanDerWaalsContact O-CG2 3.31Å; T304-V308 WeakPolarHBondContact O-CG2 3.45Å; T304-V308 PolarHBondContact O-N 3.3Å; V308-A310 PolarHBondContact O-N 3.15Å; V308-M311 PolarHBondContact O-N 3.2Å; V308-L312 HydrophobicContact CG1-CD1 3.69Å; V308-L312 HydrophobicContact CG1-CG 4.07Å; V308-L312 WeakPolarHBondContact O-CB 3.28Å; V308-L312 VanDerWaalsContact O-CG 3.26Å; V308-L312 WeakPolarHBondContact O-CG 3.34Å; V308-L312 PolarHBondContact O-N 3.22Å; V308-F324 HydrophobicContact CG1-CB 4.06Å; V308-F324 HydrophobicContact CG1-CD2 3.76Å; V308-F324 HydrophobicContact CG1-CG 4.24Å
309Y96.7Very high94.2Very high21 Ų2144.9 Ų44.98%0.08224%0.235CC..Hα-helixtrans-58.3-46.6178.8-178.6-83.9000112A305 A306 M311 L312 E313 L318 T325 H328 K329A305-Y309 WeakPolarHBondContact O-CB 3.26Å; A305-Y309 PolarHBondContact O-N 3.46Å; A306-Y309 PolarHBondContact O-N 2.98Å; Y309-M311 VanDerWaalsContact C-N 3.3Å; Y309-M311 PolarHBondContact O-N 3.41Å; Y309-L312 PolarHBondContact O-N 3.49Å; Y309-E313 HydrophobicContact CD1-CB 4.46Å; Y309-E313 HydrophobicContact CE1-CB 4.11Å; Y309-E313 HydrophobicContact CE1-CG 4.39Å; Y309-E313 VanDerWaalsContact CE1-OE1 3.31Å; Y309-E313 WeakPolarHBondContact CE1-OE1 3.09Å; Y309-E313 WeakPolarHBondContact O-CB 3.2Å; Y309-E313 PolarHBondContact O-N 3.43Å; Y309-E313 PolarHBondContact OH-OE1 2.89Å; Y309-L318 HydrophobicContact CD2-CD2 3.69Å; Y309-L318 HydrophobicContact CE2-CD1 4.19Å; Y309-L318 HydrophobicContact CE2-CD2 3.59Å; Y309-L318 HydrophobicContact CG-CD2 4.27Å; Y309-T325 HydrophobicContact CD2-CG2 4.25Å; Y309-T325 HydrophobicContact CE2-CG2 3.96Å; Y309-H328 AromaticContact CD1-CD2 3.42Å; Y309-H328 VanDerWaalsContact CD1-CD2 3.42Å; Y309-H328 WeakPolarHBondContact CD1-CD2 3.31Å; Y309-H328 AromaticContact CD1-NE2 3.7Å; Y309-H328 HydrophobicContact CD2-CB 3.81Å; Y309-H328 AromaticContact CD2-CD2 3.31Å; Y309-H328 WeakPolarHBondContact CD2-CD2 3.16Å; Y309-H328 AromaticContact CD2-CG 3.8Å; Y309-H328 AromaticContact CE1-CD2 3.93Å; Y309-H328 AromaticContact CE2-CD2 3.79Å; Y309-H328 HydrophobicContact CG-CB 3.97Å; Y309-H328 AromaticContact CG-CD2 3.12Å; Y309-H328 AromaticContact CG-CG 3.59Å; Y309-H328 AromaticContact CG-NE2 3.85Å; Y309-K329 HydrophobicContact CE2-CG 4.11Å
310A94.4Very high94.6Very high28 Ų2848.8 Ų48.823%0.23125%0.252CS..Hα-helixtrans-57.5-43.3178.700000111.9A306 E307 V308 R314A306-A310 PolarHBondContact O-N 3.32Å; E307-A310 PolarHBondContact O-N 3.32Å; V308-A310 PolarHBondContact O-N 3.15Å; A310-R314 PolarHBondContact O-N 3.31Å
311M94.4Very high95.1Very high23 Ų2347.5 Ų47.511%0.11325%0.245CC..Hα-helixtrans-65.8-44.1176.9-170.7179.6-166.300112.2I130 F239 F243 E307 V308 Y309 K315I130-M311 HydrophobicContact CB-SD 3.91Å; I130-M311 HydrophobicContact CD1-CB 4.3Å; I130-M311 HydrophobicContact CD1-SD 3.71Å; I130-M311 HydrophobicContact CG1-CB 4.22Å; I130-M311 HydrophobicContact CG1-SD 3.66Å; F239-M311 HydrophobicContact CE2-SD 4.42Å; F239-M311 HydrophobicContact CZ-SD 3.74Å; F243-M311 HydrophobicContact CB-CE 3.77Å; F243-M311 HydrophobicContact CD1-CE 3.38Å; F243-M311 HydrophobicContact CD1-SD 4.25Å; F243-M311 HydrophobicContact CD2-CE 4.29Å; F243-M311 HydrophobicContact CD2-SD 4.25Å; F243-M311 HydrophobicContact CE1-CE 3.99Å; F243-M311 HydrophobicContact CG-CE 3.54Å; F243-M311 HydrophobicContact CG-SD 4.08Å; E307-M311 PolarHBondContact O-N 2.98Å; V308-M311 PolarHBondContact O-N 3.2Å; Y309-M311 VanDerWaalsContact C-N 3.3Å; Y309-M311 PolarHBondContact O-N 3.41Å; M311-K315 WeakPolarHBondContact O-CB 3.5Å; M311-K315 VanDerWaalsContact O-CG 3.23Å; M311-K315 WeakPolarHBondContact O-CG 3.47Å; M311-K315 PolarHBondContact O-N 2.86Å
312L96.5Very high95.4Very high0 Ų048.5 Ų48.50%025%0.252CS..Hα-helixtrans-67.4-40.6-179.3-69.3179.7000112.7F239 F243 V308 Y309 K315 G316 L317 L318 Y321 F324F239-L312 HydrophobicContact CD2-CD2 4.16Å; F239-L312 HydrophobicContact CE2-CD2 3.99Å; F239-L312 HydrophobicContact CE2-CG 4.3Å; F243-L312 HydrophobicContact CE2-CD2 3.67Å; F243-L312 HydrophobicContact CZ-CD2 3.78Å; V308-L312 HydrophobicContact CG1-CD1 3.69Å; V308-L312 HydrophobicContact CG1-CG 4.07Å; V308-L312 WeakPolarHBondContact O-CB 3.28Å; V308-L312 VanDerWaalsContact O-CG 3.26Å; V308-L312 WeakPolarHBondContact O-CG 3.34Å; V308-L312 PolarHBondContact O-N 3.22Å; Y309-L312 PolarHBondContact O-N 3.49Å; L312-K315 CarbonylContact O-C 3.56Å; L312-K315 PolarHBondContact O-N 3.41Å; L312-G316 PolarHBondContact O-N 2.99Å; L312-L317 HydrophobicContact CD2-CB 4.09Å; L312-L317 PolarHBondContact O-N 3.28Å; L312-L318 HydrophobicContact CB-CD2 3.72Å; L312-L318 HydrophobicContact CB-CG 4.44Å; L312-Y321 HydrophobicContact CD1-CD2 3.84Å; L312-Y321 HydrophobicContact CD1-CG 3.89Å; L312-Y321 HydrophobicContact CD2-CD2 3.29Å; L312-Y321 HydrophobicContact CD2-CE2 3.48Å; L312-Y321 VanDerWaalsContact CD2-CE2 3.48Å; L312-Y321 HydrophobicContact CD2-CG 4.06Å; L312-Y321 HydrophobicContact CG-CD2 4.19Å; L312-F324 HydrophobicContact CD1-CB 4.43Å
313E95.7Very high95.6Very high106 Ų10648.1 Ų48.150%0.49525%0.25SC..Hα-helixtrans-61.8-48.7177.4-174.2169.4-109.400110.8Y309 K315 G316 L318Y309-E313 HydrophobicContact CD1-CB 4.46Å; Y309-E313 HydrophobicContact CE1-CB 4.11Å; Y309-E313 HydrophobicContact CE1-CG 4.39Å; Y309-E313 VanDerWaalsContact CE1-OE1 3.31Å; Y309-E313 WeakPolarHBondContact CE1-OE1 3.09Å; Y309-E313 WeakPolarHBondContact O-CB 3.2Å; Y309-E313 PolarHBondContact O-N 3.43Å; Y309-E313 PolarHBondContact OH-OE1 2.89Å; E313-K315 PolarHBondContact O-N 3.47Å; E313-G316 PolarHBondContact O-N 3.09Å; E313-L318 HydrophobicContact CB-CD1 4.02Å; E313-L318 HydrophobicContact CB-CD2 4.17Å; E313-L318 HydrophobicContact CB-CG 4.25Å; E313-L318 HydrophobicContact CG-CD1 4.07Å
314R92.1Very high96Very high154 Ų15444.6 Ų44.658%0.58123%0.231SC*.Hα-helixtrans-59.4-31.8176.8-177.5177.3171.9-157.9-6.2112.8D127 A310D127-R314 PolarHBondContact O-NH1 3.33Å; D127-R314 IonicContact OD2-NH1 3.69Å; D127-R314 PolarHBondContact OD2-NH1 3.12Å; A310-R314 PolarHBondContact O-N 3.31Å
315K94.8Very high96.3Very high121 Ų12145.1 Ų45.153%0.52623%0.234SC..THydrogen-bonded Turntrans-90.5-2.8-178.9-64.5-73.5-176.5-179.50113.2F243 M311 L312 E313 L317F243-K315 HydrophobicContact CE1-CB 4.35Å; F243-K315 HydrophobicContact CE1-CD 4.48Å; F243-K315 HydrophobicContact CE1-CG 3.9Å; F243-K315 HydrophobicContact CZ-CG 4.43Å; M311-K315 WeakPolarHBondContact O-CB 3.5Å; M311-K315 VanDerWaalsContact O-CG 3.23Å; M311-K315 WeakPolarHBondContact O-CG 3.47Å; M311-K315 PolarHBondContact O-N 2.86Å; L312-K315 CarbonylContact O-C 3.56Å; L312-K315 PolarHBondContact O-N 3.41Å; E313-K315 PolarHBondContact O-N 3.47Å; K315-L317 VanDerWaalsContact C-N 3.27Å; K315-L317 HydrophobicContact CB-CB 4.48Å; K315-L317 HydrophobicContact CB-CD1 3.94Å; K315-L317 HydrophobicContact CB-CG 4.08Å; K315-L317 PolarHBondContact O-N 3.41Å
316G96.5Very high96.4Very high66 Ų6645.2 Ų45.268%0.6824%0.235SC*.THydrogen-bonded Turntrans6531.1-176.900000112.9L312 E313L312-G316 PolarHBondContact O-N 2.99Å; E313-G316 PolarHBondContact O-N 3.09Å
317L97.5Very high96.6Very high39 Ų3943.4 Ų43.420%0.20422%0.22CC..  trans-1139.3-172.4-69.5176.7000114Q242 F243 L312 K315 E319 K320 Y321Q242-L317 HydrophobicContact CG-CD1 3.96Å; F243-L317 HydrophobicContact CE1-CD1 4.09Å; F243-L317 HydrophobicContact CZ-CD1 3.68Å; L312-L317 HydrophobicContact CD2-CB 4.09Å; L312-L317 PolarHBondContact O-N 3.28Å; K315-L317 VanDerWaalsContact C-N 3.27Å; K315-L317 HydrophobicContact CB-CB 4.48Å; K315-L317 HydrophobicContact CB-CD1 3.94Å; K315-L317 HydrophobicContact CB-CG 4.08Å; K315-L317 PolarHBondContact O-N 3.41Å; L317-E319 VanDerWaalsContact C-N 3.27Å; L317-E319 PolarHBondContact O-N 3.47Å; L317-K320 HydrophobicContact CD2-CD 4.25Å; L317-K320 WeakPolarHBondContact O-CB 3.44Å; L317-K320 PolarHBondContact O-N 2.85Å; L317-Y321 HydrophobicContact CB-CD2 4.4Å; L317-Y321 HydrophobicContact CB-CE2 4.21Å; L317-Y321 WeakPolarHBondContact O-CD2 3.39Å
318L97.7Very high96.9Very high35 Ų3543.8 Ų43.818%0.18322%0.222CC..G310 helixtrans-52.9-42.1-177.9-67.5173.6000113.2Y309 L312 E313 K320 Y321 T325Y309-L318 HydrophobicContact CD2-CD2 3.69Å; Y309-L318 HydrophobicContact CE2-CD1 4.19Å; Y309-L318 HydrophobicContact CE2-CD2 3.59Å; Y309-L318 HydrophobicContact CG-CD2 4.27Å; L312-L318 HydrophobicContact CB-CD2 3.72Å; L312-L318 HydrophobicContact CB-CG 4.44Å; E313-L318 HydrophobicContact CB-CD1 4.02Å; E313-L318 HydrophobicContact CB-CD2 4.17Å; E313-L318 HydrophobicContact CB-CG 4.25Å; E313-L318 HydrophobicContact CG-CD1 4.07Å; L318-K320 PolarHBondContact O-N 3.43Å; L318-Y321 CarbonylContact O-C 3.52Å; L318-Y321 PolarHBondContact O-N 3.08Å; L318-T325 HydrophobicContact CB-CG2 4.18Å; L318-T325 HydrophobicContact CD2-CG2 4.06Å; L318-T325 PolarHBondContact O-OG1 3.25Å
319E96.2Very high97Very high179 Ų17946.7 Ų46.784%0.83623%0.234SC*.G310 helixtrans-69.1-19.7-179.7-61.9-174.7172.200113.8L317 Y321L317-E319 VanDerWaalsContact C-N 3.27Å; L317-E319 PolarHBondContact O-N 3.47Å; E319-Y321 VanDerWaalsContact C-N 3.32Å
320K97.2Very high97Very high84 Ų8445.7 Ų45.737%0.36523%0.231SC..G310 helixtrans-77.4-21175.9-173.2174.2176.1179.40112.2S238 L317 L318 P322S238-K320 WeakPolarHBondContact OG-CE 3.44Å; L317-K320 HydrophobicContact CD2-CD 4.25Å; L317-K320 WeakPolarHBondContact O-CB 3.44Å; L317-K320 PolarHBondContact O-N 2.85Å; L318-K320 PolarHBondContact O-N 3.43Å; K320-P322 VanDerWaalsContact C-CD 3.45Å; K320-P322 WeakPolarHBondContact O-CD 3.38Å
321Y98.5Very high97.2Very high0 Ų045 Ų450%022%0.224CC..  trans-127.464.7-177.4-57.2-87.7000110.7E235 S238 F239 Q242 F243 L312 L317 L318 E319 I323 F324 T325E235-Y321 HydrophobicContact CB-CD1 4.03Å; E235-Y321 HydrophobicContact CG-CD1 4.08Å; E235-Y321 WeakPolarHBondContact OE2-CA 3.48Å; S238-Y321 PolarHBondContact O-OH 3.04Å; S238-Y321 PolarHBondContact OG-OH 3.5Å; F239-Y321 HydrophobicContact CB-CD1 4.47Å; F239-Y321 HydrophobicContact CB-CE1 3.8Å; F239-Y321 HydrophobicContact CD2-CE1 4.31Å; Q242-Y321 VanDerWaalsContact CB-OH 3.27Å; Q242-Y321 WeakPolarHBondContact CB-OH 3.3Å; F243-Y321 HydrophobicContact CE2-CE2 4.5Å; L312-Y321 HydrophobicContact CD1-CD2 3.84Å; L312-Y321 HydrophobicContact CD1-CG 3.89Å; L312-Y321 HydrophobicContact CD2-CD2 3.29Å; L312-Y321 HydrophobicContact CD2-CE2 3.48Å; L312-Y321 VanDerWaalsContact CD2-CE2 3.48Å; L312-Y321 HydrophobicContact CD2-CG 4.06Å; L312-Y321 HydrophobicContact CG-CD2 4.19Å; L317-Y321 HydrophobicContact CB-CD2 4.4Å; L317-Y321 HydrophobicContact CB-CE2 4.21Å; L317-Y321 WeakPolarHBondContact O-CD2 3.39Å; L318-Y321 CarbonylContact O-C 3.52Å; L318-Y321 PolarHBondContact O-N 3.08Å; E319-Y321 VanDerWaalsContact C-N 3.32Å; Y321-I323 VanDerWaalsContact C-N 3.31Å; Y321-I323 PolarHBondContact O-N 3.11Å; Y321-F324 HydrophobicContact CD1-CD2 4.12Å; Y321-F324 HydrophobicContact CD1-CE2 4.36Å; Y321-F324 HydrophobicContact CG-CD2 4.49Å; Y321-F324 PolarHBondContact O-N 3.22Å; Y321-T325 WeakPolarHBondContact O-CB 3.28Å; Y321-T325 PolarHBondContact O-N 3.33Å; Y321-T325 PolarHBondContact O-OG1 3.06Å
322P98.4Very high97.2Very high22 Ų2246.5 Ų46.514%0.14324%0.235CC..Hα-helixtrans-62-33.5-173.226.6-37.2000113.7E235 K320 A326 C343 H347E235-P322 WeakPolarHBondContact OE1-CD 3.47Å; E235-P322 WeakPolarHBondContact OE1-CG 3.26Å; E235-P322 VanDerWaalsContact OE1-N 3.12Å; K320-P322 VanDerWaalsContact C-CD 3.45Å; K320-P322 WeakPolarHBondContact O-CD 3.38Å; P322-A326 WeakPolarHBondContact O-CB 3.4Å; P322-A326 PolarHBondContact O-N 3.19Å; P322-C343 HydrophobicContact CB-CB 4.07Å; P322-H347 VanDerWaalsContact CG-CD2 3.47Å; P322-H347 WeakPolarHBondContact CG-CD2 3.48Å
323I98.8Very high97.2Very high0 Ų050.1 Ų50.10%025%0.248CC..Hα-helixtrans-69.6-52.6178-64.7173.4000110A211 L231 E235 Y321 T325 A326 V327 F340 L344A211-I323 HydrophobicContact CB-CG2 3.68Å; L231-I323 HydrophobicContact CB-CD1 3.56Å; E235-I323 VanDerWaalsContact OE1-CB 3.26Å; E235-I323 WeakPolarHBondContact OE1-CB 3.41Å; E235-I323 WeakPolarHBondContact OE1-CG1 3.29Å; E235-I323 PolarHBondContact OE1-N 3.39Å; E235-I323 PolarHBondContact OE2-N 3.06Å; Y321-I323 VanDerWaalsContact C-N 3.31Å; Y321-I323 PolarHBondContact O-N 3.11Å; I323-T325 VanDerWaalsContact C-N 3.28Å; I323-T325 PolarHBondContact O-N 3.11Å; I323-A326 PolarHBondContact O-N 3.25Å; I323-V327 HydrophobicContact CG2-CG2 4.47Å; I323-V327 WeakPolarHBondContact O-CG2 3.46Å; I323-V327 PolarHBondContact O-N 2.97Å; I323-F340 HydrophobicContact CG2-CZ 4.26Å; I323-L344 HydrophobicContact CD1-CD2 3.73Å; I323-L344 HydrophobicContact CG1-CD2 4.01Å
324F98.7Very high97.2Very high0 Ų051.4 Ų51.40%025%0.254CS..Hα-helixtrans-59.4-43.9179.4-65.9-8.4000111.5L204 I207 V208 E235 M236 F239 V308 L312 Y321 V327 H328L204-F324 HydrophobicContact CB-CZ 4.27Å; L204-F324 HydrophobicContact CD2-CE2 4.28Å; L204-F324 HydrophobicContact CD2-CZ 4.49Å; I207-F324 HydrophobicContact CB-CD1 4.08Å; I207-F324 HydrophobicContact CB-CE1 4.29Å; I207-F324 HydrophobicContact CD1-CD1 4.29Å; I207-F324 HydrophobicContact CD1-CG 4.34Å; I207-F324 HydrophobicContact CG2-CB 4.36Å; I207-F324 HydrophobicContact CG2-CD1 3.6Å; I207-F324 HydrophobicContact CG2-CE1 4.28Å; I207-F324 HydrophobicContact CG2-CG 4.25Å; V208-F324 HydrophobicContact CG2-CE1 3.81Å; E235-F324 HydrophobicContact CB-CD1 4.4Å; E235-F324 HydrophobicContact CB-CD2 4.33Å; E235-F324 HydrophobicContact CB-CE1 3.97Å; E235-F324 HydrophobicContact CB-CE2 3.91Å; E235-F324 HydrophobicContact CB-CZ 3.72Å; E235-F324 WeakPolarHBondContact OE2-CD1 3.48Å; E235-F324 WeakPolarHBondContact OE2-CG 3.29Å; E235-F324 PolarHBondContact OE2-N 3.15Å; M236-F324 HydrophobicContact CB-CZ 4.45Å; M236-F324 HydrophobicContact CG-CE1 4.4Å; M236-F324 HydrophobicContact CG-CZ 3.81Å; F239-F324 HydrophobicContact CB-CE2 4.1Å; F239-F324 HydrophobicContact CD2-CD2 4.46Å; F239-F324 HydrophobicContact CD2-CE2 4.37Å; F239-F324 HydrophobicContact CG-CE2 4.37Å; V308-F324 HydrophobicContact CG1-CB 4.06Å; V308-F324 HydrophobicContact CG1-CD2 3.76Å; V308-F324 HydrophobicContact CG1-CG 4.24Å; L312-F324 HydrophobicContact CD1-CB 4.43Å; Y321-F324 HydrophobicContact CD1-CD2 4.12Å; Y321-F324 HydrophobicContact CD1-CE2 4.36Å; Y321-F324 HydrophobicContact CG-CD2 4.49Å; Y321-F324 PolarHBondContact O-N 3.22Å; F324-V327 PolarHBondContact O-N 3.48Å; F324-H328 PolarHBondContact O-N 2.95Å
325T98.7Very high97.4Very high11 Ų1146.7 Ų46.77%0.06724%0.238CC..Hα-helixtrans-61-48.8176.9-62.50000111.8Y309 L318 Y321 I323 H328 K329Y309-T325 HydrophobicContact CD2-CG2 4.25Å; Y309-T325 HydrophobicContact CE2-CG2 3.96Å; L318-T325 HydrophobicContact CB-CG2 4.18Å; L318-T325 HydrophobicContact CD2-CG2 4.06Å; L318-T325 PolarHBondContact O-OG1 3.25Å; Y321-T325 WeakPolarHBondContact O-CB 3.28Å; Y321-T325 PolarHBondContact O-N 3.33Å; Y321-T325 PolarHBondContact O-OG1 3.06Å; I323-T325 VanDerWaalsContact C-N 3.28Å; I323-T325 PolarHBondContact O-N 3.11Å; T325-H328 PolarHBondContact O-N 3.05Å; T325-K329 HydrophobicContact CG2-CD 4.26Å; T325-K329 WeakPolarHBondContact O-CG 3.4Å; T325-K329 PolarHBondContact O-N 2.81Å
326A98.6Very high97.4Very high3 Ų344.7 Ų44.73%0.02523%0.233CC..Hα-helixtrans-67-38.1-178.100000112.1P322 I323 H328 K329 L330 F335 F340 C343P322-A326 WeakPolarHBondContact O-CB 3.4Å; P322-A326 PolarHBondContact O-N 3.19Å; I323-A326 PolarHBondContact O-N 3.25Å; A326-H328 VanDerWaalsContact C-N 3.35Å; A326-H328 PolarHBondContact O-N 3.23Å; A326-K329 PolarHBondContact O-N 3.16Å; A326-L330 WeakPolarHBondContact O-CB 3.44Å; A326-L330 VanDerWaalsContact O-CG 3.22Å; A326-L330 WeakPolarHBondContact O-CG 3.48Å; A326-L330 PolarHBondContact O-N 3.38Å; A326-F335 HydrophobicContact CB-CD1 4.46Å; A326-F335 HydrophobicContact CB-CE1 4.29Å; A326-F340 HydrophobicContact CB-CD2 3.79Å; A326-F340 HydrophobicContact CB-CE2 3.68Å; A326-C343 VanDerWaalsContact CB-SG 3.58Å
327V98.7Very high97.5Very high0 Ų042.2 Ų42.20%021%0.205CC..Hα-helixtrans-59.6-45.8175.1170.30000110.9I207 V210 A211 A305 I323 F324 L330 C331 F340I207-V327 HydrophobicContact CG2-CB 3.8Å; I207-V327 HydrophobicContact CG2-CG1 3.82Å; I207-V327 HydrophobicContact CG2-CG2 4.05Å; V210-V327 HydrophobicContact CB-CG1 3.86Å; V210-V327 HydrophobicContact CG1-CG1 3.76Å; V210-V327 HydrophobicContact CG2-CG1 4.5Å; A211-V327 HydrophobicContact CB-CG2 3.79Å; A305-V327 HydrophobicContact CB-CG1 3.87Å; I323-V327 HydrophobicContact CG2-CG2 4.47Å; I323-V327 WeakPolarHBondContact O-CG2 3.46Å; I323-V327 PolarHBondContact O-N 2.97Å; F324-V327 PolarHBondContact O-N 3.48Å; V327-L330 WeakPolarHBondContact O-CB 3.26Å; V327-L330 PolarHBondContact O-N 3.5Å; V327-C331 WeakPolarHBondContact O-CB 3.46Å; V327-C331 PolarHBondContact O-N 2.89Å; V327-C331 PolarHBondContact O-SG 2.86Å; V327-F340 HydrophobicContact CG2-CE2 4.28Å
328H98.1Very high97.4Very high27 Ų2747.5 Ų47.513%0.12523%0.227CC..Hα-helixtrans-61-47.5175.3178.265.4000112A305 A306 Y309 F324 T325 A326 L330 C331 T332A305-H328 HydrophobicContact CB-CB 4.19Å; A306-H328 VanDerWaalsContact CA-ND1 3.28Å; A306-H328 WeakPolarHBondContact CA-ND1 3.31Å; Y309-H328 AromaticContact CD1-CD2 3.42Å; Y309-H328 VanDerWaalsContact CD1-CD2 3.42Å; Y309-H328 WeakPolarHBondContact CD1-CD2 3.31Å; Y309-H328 AromaticContact CD1-NE2 3.7Å; Y309-H328 HydrophobicContact CD2-CB 3.81Å; Y309-H328 AromaticContact CD2-CD2 3.31Å; Y309-H328 WeakPolarHBondContact CD2-CD2 3.16Å; Y309-H328 AromaticContact CD2-CG 3.8Å; Y309-H328 AromaticContact CE1-CD2 3.93Å; Y309-H328 AromaticContact CE2-CD2 3.79Å; Y309-H328 HydrophobicContact CG-CB 3.97Å; Y309-H328 AromaticContact CG-CD2 3.12Å; Y309-H328 AromaticContact CG-CG 3.59Å; Y309-H328 AromaticContact CG-NE2 3.85Å; F324-H328 PolarHBondContact O-N 2.95Å; T325-H328 PolarHBondContact O-N 3.05Å; A326-H328 VanDerWaalsContact C-N 3.35Å; A326-H328 PolarHBondContact O-N 3.23Å; H328-L330 VanDerWaalsContact C-N 3.26Å; H328-L330 PolarHBondContact O-N 2.81Å; H328-C331 WeakPolarHBondContact O-CA 3.5Å; H328-C331 VanDerWaalsContact O-CB 3.29Å; H328-C331 WeakPolarHBondContact O-CB 3.19Å; H328-C331 PolarHBondContact O-N 3.01Å; H328-C331 VanDerWaalsContact O-N 3.1Å; H328-T332 PolarHBondContact O-N 3.31Å; H328-T332 PolarHBondContact O-OG1 2.77Å
329K98.3Very high97.4Very high61 Ų6149.7 Ų49.727%0.26524%0.238SC..Hα-helixtrans-64.6-29.8179.7-66.6-176.9176.1-175.30112.8Y309 T325 A326 T332 R333 Q334 F335Y309-K329 HydrophobicContact CE2-CG 4.11Å; T325-K329 HydrophobicContact CG2-CD 4.26Å; T325-K329 WeakPolarHBondContact O-CG 3.4Å; T325-K329 PolarHBondContact O-N 2.81Å; A326-K329 PolarHBondContact O-N 3.16Å; K329-T332 WeakPolarHBondContact CA-OG1 3.42Å; K329-T332 CarbonylContact O-C 3.42Å; K329-T332 PolarHBondContact O-OG1 3.06Å; K329-R333 CarbonylContact O-C 3.5Å; K329-R333 PolarHBondContact O-N 2.92Å; K329-Q334 HydrophobicContact CB-CB 4.23Å; K329-Q334 PolarHBondContact O-N 3.33Å; K329-F335 HydrophobicContact CB-CB 3.58Å; K329-F335 HydrophobicContact CB-CG 4.46Å; K329-F335 PolarHBondContact O-N 3.02Å
330L98.2Very high97.5Very high0 Ų041.1 Ų41.10%020%0.198CC..Hα-helixtrans-67.5-45.6171.2-76.3166.1000111.3V214 A326 V327 H328 T332 R333 F335 P337 F340V214-L330 HydrophobicContact CG1-CD1 4.02Å; V214-L330 HydrophobicContact CG2-CD1 3.89Å; A326-L330 WeakPolarHBondContact O-CB 3.44Å; A326-L330 VanDerWaalsContact O-CG 3.22Å; A326-L330 WeakPolarHBondContact O-CG 3.48Å; A326-L330 PolarHBondContact O-N 3.38Å; V327-L330 WeakPolarHBondContact O-CB 3.26Å; V327-L330 PolarHBondContact O-N 3.5Å; H328-L330 VanDerWaalsContact C-N 3.26Å; H328-L330 PolarHBondContact O-N 2.81Å; L330-T332 PolarHBondContact O-N 3.33Å; L330-R333 WeakPolarHBondContact O-CD 3.45Å; L330-R333 PolarHBondContact O-N 3.04Å; L330-F335 HydrophobicContact CD2-CB 4.49Å; L330-F335 HydrophobicContact CD2-CD1 4.02Å; L330-F335 WeakPolarHBondContact CD2-O 3.23Å; L330-F335 HydrophobicContact CG-CB 4.42Å; L330-F335 HydrophobicContact CG-CD1 4.02Å; L330-P337 HydrophobicContact CD2-CB 3.99Å; L330-P337 HydrophobicContact CD2-CG 3.63Å; L330-F340 HydrophobicContact CD1-CD2 3.61Å; L330-F340 HydrophobicContact CD1-CE2 4.07Å; L330-F340 HydrophobicContact CD1-CG 4.46Å
331C96.9Very high97.5Very high13 Ų1339.4 Ų39.49%0.08819%0.193CC..Hα-helixtrans-58.5-33.3175.5-75.80000112.8L286 P302 V327 H328L286-C331 HydrophobicContact CD1-CB 3.88Å; P302-C331 HydrophobicContact CB-CB 4.49Å; V327-C331 WeakPolarHBondContact O-CB 3.46Å; V327-C331 PolarHBondContact O-N 2.89Å; V327-C331 PolarHBondContact O-SG 2.86Å; H328-C331 WeakPolarHBondContact O-CA 3.5Å; H328-C331 VanDerWaalsContact O-CB 3.29Å; H328-C331 WeakPolarHBondContact O-CB 3.19Å; H328-C331 PolarHBondContact O-N 3.01Å; H328-C331 VanDerWaalsContact O-N 3.1Å
332T96.2Very high97.4Very high56 Ų5642.3 Ų42.334%0.34421%0.212SC..THydrogen-bonded Turntrans-95.14.5176.660.90000114H328 K329 L330 Q334H328-T332 PolarHBondContact O-N 3.31Å; H328-T332 PolarHBondContact O-OG1 2.77Å; K329-T332 WeakPolarHBondContact CA-OG1 3.42Å; K329-T332 CarbonylContact O-C 3.42Å; K329-T332 PolarHBondContact O-OG1 3.06Å; L330-T332 PolarHBondContact O-N 3.33Å; T332-Q334 PolarHBondContact O-N 2.98Å; T332-Q334 WeakPolarHBondContact OG1-CG 3.44Å
333R95Very high97.3Very high75 Ų7542 Ų4228%0.28321%0.21SC..THydrogen-bonded Turntrans59.326.5-178.9-53-59.2-175.3179.98.8114.6L279 T282 E284 K329 L330L279-R333 PolarHBondContact O-NH1 3.35Å; T282-R333 VanDerWaalsContact O-CZ 3.25Å; T282-R333 PolarHBondContact O-NH1 3.26Å; T282-R333 PolarHBondContact O-NH2 3.04Å; E284-R333 PolarHBondContact O-NE 3.28Å; E284-R333 PolarHBondContact O-NH2 3.24Å; K329-R333 CarbonylContact O-C 3.5Å; K329-R333 PolarHBondContact O-N 2.92Å; L330-R333 WeakPolarHBondContact O-CD 3.45Å; L330-R333 PolarHBondContact O-N 3.04Å
334Q95.4Very high97.2Very high133 Ų13342.4 Ų42.462%0.62121%0.213SC*.  trans-94.64.3175.8-63.1175.62.100113.1K329 T332K329-Q334 HydrophobicContact CB-CB 4.23Å; K329-Q334 PolarHBondContact O-N 3.33Å; T332-Q334 PolarHBondContact O-N 2.98Å; T332-Q334 WeakPolarHBondContact OG1-CG 3.44Å
335F96.3Very high97Very high55 Ų5545.7 Ų45.724%0.24124%0.239CC..SBendtrans-142.2132-179.5-168.1-99.5000110.2A326 K329 L330 P337 N339 F340A326-F335 HydrophobicContact CB-CD1 4.46Å; A326-F335 HydrophobicContact CB-CE1 4.29Å; K329-F335 HydrophobicContact CB-CB 3.58Å; K329-F335 HydrophobicContact CB-CG 4.46Å; K329-F335 PolarHBondContact O-N 3.02Å; L330-F335 HydrophobicContact CD2-CB 4.49Å; L330-F335 HydrophobicContact CD2-CD1 4.02Å; L330-F335 WeakPolarHBondContact CD2-O 3.23Å; L330-F335 HydrophobicContact CG-CB 4.42Å; L330-F335 HydrophobicContact CG-CD1 4.02Å; F335-P337 WeakPolarHBondContact O-CD 3.22Å; F335-N339 HydrophobicContact CE1-CB 3.98Å; F335-N339 HydrophobicContact CE2-CB 4.31Å; F335-N339 HydrophobicContact CZ-CB 3.68Å; F335-F340 HydrophobicContact CE1-CB 4.26Å; F335-F340 HydrophobicContact CE1-CD2 4.5Å
336D96.8Very high96.8Very high79 Ų7951.2 Ų51.242%0.42227%0.268SS..  trans-73.1122.1175.2-175.7-22.4000109.3K338 N339D336-K338 PolarHBondContact O-N 3.3Å; D336-K338 VanDerWaalsContact O-N 3.08Å; D336-K338 WeakPolarHBondContact OD1-CB 3.49Å; D336-K338 WeakPolarHBondContact OD1-CG 3.29Å; D336-K338 PolarHBondContact OD1-N 3.1Å; D336-N339 PolarHBondContact O-N 3.19Å
337P97.3Very high96.8Very high14 Ų1451.2 Ų51.29%0.09127%0.268CS..G310 helixtrans-48.2-35.7175.7-26.232.1000114.2L218 L279 A280 L330 F335 N339 F340L218-P337 WeakPolarHBondContact CD1-O 3.38Å; L218-P337 HydrophobicContact CD2-CB 3.94Å; L279-P337 WeakPolarHBondContact O-CG 3.47Å; A280-P337 HydrophobicContact CB-CB 4.35Å; L330-P337 HydrophobicContact CD2-CB 3.99Å; L330-P337 HydrophobicContact CD2-CG 3.63Å; F335-P337 WeakPolarHBondContact O-CD 3.22Å; P337-N339 PolarHBondContact O-N 3.02Å; P337-N339 VanDerWaalsContact O-N 3.13Å; P337-F340 WeakPolarHBondContact O-CB 3.16Å; P337-F340 PolarHBondContact O-N 3.23Å
338K96.1Very high96.6Very high151 Ų15152.4 Ų52.466%0.65728%0.276SS*.G310 helixtrans-60.6-27.2-178.9-63.8177.5-174.8175.40113D336 F340D336-K338 PolarHBondContact O-N 3.3Å; D336-K338 VanDerWaalsContact O-N 3.08Å; D336-K338 WeakPolarHBondContact OD1-CB 3.49Å; D336-K338 WeakPolarHBondContact OD1-CG 3.29Å; D336-K338 PolarHBondContact OD1-N 3.1Å; K338-F340 VanDerWaalsContact C-N 3.31Å
339N97.3Very high96.3Very high80 Ų8055.5 Ų55.543%0.42829%0.29SS..G310 helixtrans-84.2-3.9179-66-32.4000113.2F335 D336 P337 I341 C342F335-N339 HydrophobicContact CE1-CB 3.98Å; F335-N339 HydrophobicContact CE2-CB 4.31Å; F335-N339 HydrophobicContact CZ-CB 3.68Å; D336-N339 PolarHBondContact O-N 3.19Å; P337-N339 PolarHBondContact O-N 3.02Å; P337-N339 VanDerWaalsContact O-N 3.13Å; N339-I341 PolarHBondContact O-N 2.96Å; N339-C342 VanDerWaalsContact O-CB 3.25Å; N339-C342 WeakPolarHBondContact O-CB 3.36Å; N339-C342 PolarHBondContact O-N 3.05Å
340F97.8Very high95.9Very high0 Ų058 Ų580%030%0.302CS..Hα-helixtrans-61.5-31.3-177.8-169.7-94.1000112.6A211 V214 I215 L218 V228 I323 A326 V327 L330 F335 P337 K338 C342 C343A211-F340 HydrophobicContact CB-CE1 4.08Å; A211-F340 HydrophobicContact CB-CE2 4.39Å; A211-F340 HydrophobicContact CB-CZ 3.48Å; A211-F340 VanDerWaalsContact CB-CZ 3.48Å; V214-F340 HydrophobicContact CG1-CB 4.09Å; V214-F340 HydrophobicContact CG1-CD1 4.14Å; V214-F340 HydrophobicContact CG1-CD2 4.3Å; V214-F340 HydrophobicContact CG1-CG 3.9Å; I215-F340 HydrophobicContact CG2-CD1 3.69Å; I215-F340 HydrophobicContact CG2-CE1 3.85Å; L218-F340 HydrophobicContact CD1-CB 4.36Å; V228-F340 HydrophobicContact CG2-CE1 4.39Å; I323-F340 HydrophobicContact CG2-CZ 4.26Å; A326-F340 HydrophobicContact CB-CD2 3.79Å; A326-F340 HydrophobicContact CB-CE2 3.68Å; V327-F340 HydrophobicContact CG2-CE2 4.28Å; L330-F340 HydrophobicContact CD1-CD2 3.61Å; L330-F340 HydrophobicContact CD1-CE2 4.07Å; L330-F340 HydrophobicContact CD1-CG 4.46Å; F335-F340 HydrophobicContact CE1-CB 4.26Å; F335-F340 HydrophobicContact CE1-CD2 4.5Å; P337-F340 WeakPolarHBondContact O-CB 3.16Å; P337-F340 PolarHBondContact O-N 3.23Å; K338-F340 VanDerWaalsContact C-N 3.31Å; F340-C342 PolarHBondContact O-N 3.35Å; F340-C343 VanDerWaalsContact O-CB 3.23Å; F340-C343 WeakPolarHBondContact O-CB 3.49Å; F340-C343 PolarHBondContact O-N 2.94Å
341I97Very high95.1Very high48 Ų4870.4 Ų70.425%0.24635%0.35CS..Hα-helixtrans-59.4-29.4176.1-165.759.1000112.3Y220 T224 N339 C343 L344 A345Y220-I341 HydrophobicContact CE1-CD1 4.19Å; Y220-I341 HydrophobicContact CE1-CG1 4.34Å; Y220-I341 HydrophobicContact CE2-CB 4.43Å; T224-I341 HydrophobicContact CG2-CD1 3.94Å; N339-I341 PolarHBondContact O-N 2.96Å; I341-C343 VanDerWaalsContact C-N 3.27Å; I341-C343 PolarHBondContact O-N 2.96Å; I341-L344 HydrophobicContact CD1-CD1 4.09Å; I341-L344 PolarHBondContact O-N 2.74Å; I341-L344 VanDerWaalsContact O-N 3.12Å; I341-A345 PolarHBondContact O-N 3.32Å
342C96.4Very high95Very high60 Ų6073.3 Ų73.341%0.40536%0.363SS..Hα-helixtrans-66.7-28.8177.1-60.50000112.3N339 F340 L344 N346N339-C342 VanDerWaalsContact O-CB 3.25Å; N339-C342 WeakPolarHBondContact O-CB 3.36Å; N339-C342 PolarHBondContact O-N 3.05Å; F340-C342 PolarHBondContact O-N 3.35Å; C342-L344 PolarHBondContact O-N 3.06Å; C342-N346 WeakPolarHBondContact O-CB 3.15Å; C342-N346 PolarHBondContact O-N 2.92Å; C342-N346 PolarHBondContact O-ND2 3.12Å
343C97Very high95Very high16 Ų1674.2 Ų74.211%0.10836%0.364CS..Hα-helixtrans-65.1-30.5174.2-58.50000111.8P322 A326 F340 I341 H347P322-C343 HydrophobicContact CB-CB 4.07Å; A326-C343 VanDerWaalsContact CB-SG 3.58Å; F340-C343 VanDerWaalsContact O-CB 3.23Å; F340-C343 WeakPolarHBondContact O-CB 3.49Å; F340-C343 PolarHBondContact O-N 2.94Å; I341-C343 VanDerWaalsContact C-N 3.27Å; I341-C343 PolarHBondContact O-N 2.96Å; C343-H347 WeakPolarHBondContact O-CB 3.42Å
344L96.2Very high95Very high9 Ų974.2 Ų74.25%0.04737%0.368CS..Hα-helixtrans-84-50176.2-52.3177.5000110.8I215 T224 V228 L231 I323 I341 C342 N346 H347 H350I215-L344 HydrophobicContact CG2-CD1 4.32Å; T224-L344 HydrophobicContact CG2-CD1 4Å; V228-L344 HydrophobicContact CG2-CD1 3.47Å; V228-L344 VanDerWaalsContact CG2-CD1 3.47Å; V228-L344 HydrophobicContact CG2-CD2 3.88Å; V228-L344 HydrophobicContact CG2-CG 4.31Å; L231-L344 HydrophobicContact CD1-CB 4.08Å; L231-L344 HydrophobicContact CD1-CD2 3.8Å; I323-L344 HydrophobicContact CD1-CD2 3.73Å; I323-L344 HydrophobicContact CG1-CD2 4.01Å; I341-L344 HydrophobicContact CD1-CD1 4.09Å; I341-L344 PolarHBondContact O-N 2.74Å; I341-L344 VanDerWaalsContact O-N 3.12Å; C342-L344 PolarHBondContact O-N 3.06Å; L344-N346 VanDerWaalsContact C-N 3.27Å; L344-N346 PolarHBondContact O-N 3.26Å; L344-H347 VanDerWaalsContact O-CB 3.3Å; L344-H347 WeakPolarHBondContact O-CB 3.4Å; L344-H347 PolarHBondContact O-N 3.24Å; L344-H347 VanDerWaalsContact O-N 3.16Å; L344-H350 PolarHBondContact O-CD2 3.08Å; L344-H350 PolarHBondContact O-NE2 2.89Å
345A95Very high94.9Very high68 Ų6870.7 Ų70.756%0.56235%0.353SS*.Hα-helixtrans-60.4-36.3-176.400000113I341I341-A345 PolarHBondContact O-N 3.32Å
346N95Very high94.8Very high127 Ų12771.7 Ų71.768%0.67936%0.36SS*.THydrogen-bonded Turntrans-104.718.7-179.4-56.6-48.1000112.7C342 L344C342-N346 WeakPolarHBondContact O-CB 3.15Å; C342-N346 PolarHBondContact O-N 2.92Å; C342-N346 PolarHBondContact O-ND2 3.12Å; L344-N346 VanDerWaalsContact C-N 3.27Å; L344-N346 PolarHBondContact O-N 3.26Å
347H97.6Very high94.7Very high4 Ų471.2 Ų71.22%0.01936%0.356CS..  trans-60.7137.3-175.4-165-77.4000111.3L231 E235 P322 C343 L344 E349 H350L231-H347 HydrophobicContact CD1-CB 3.87Å; L231-H347 HydrophobicContact CD2-CB 3.95Å; E235-H347 IonicContact OE1-CD2 2.9Å; E235-H347 IonicContact OE1-NE2 3.89Å; E235-H347 PolarHBondContact OE1-NE2 3.41Å; P322-H347 VanDerWaalsContact CG-CD2 3.47Å; P322-H347 WeakPolarHBondContact CG-CD2 3.48Å; C343-H347 WeakPolarHBondContact O-CB 3.42Å; L344-H347 VanDerWaalsContact O-CB 3.3Å; L344-H347 WeakPolarHBondContact O-CB 3.4Å; L344-H347 PolarHBondContact O-N 3.24Å; L344-H347 VanDerWaalsContact O-N 3.16Å; H347-E349 VanDerWaalsContact CE1-CG 3.44Å; H347-E349 WeakPolarHBondContact CE1-CG 3.44Å; H347-E349 WeakPolarHBondContact ND1-CB 3.25Å; H347-E349 WeakPolarHBondContact ND1-CG 3.44Å; H347-E349 PolarHBondContact ND1-N 3.13Å; H347-E349 PolarHBondContact O-N 3.28Å; H347-E349 VanDerWaalsContact O-N 3.09Å; H347-H350 WeakPolarHBondContact O-CB 3.41Å; H347-H350 PolarHBondContact O-N 2.99Å
348P94.9Very high94.5Very high25 Ų2575.3 Ų75.316%0.16238%0.375CS..G310 helixtrans-51.2-36.1-178.6-31.535.9000115.4H350 R351P348-H350 PolarHBondContact O-N 3.02Å; P348-R351 PolarHBondContact O-N 3.2Å
349E92.4Very high94.4Very high91 Ų9169.5 Ų69.543%0.42535%0.353SS..G310 helixtrans-59.6-5.7175-65-66.6131.500115.9L231 M234 H347L231-E349 HydrophobicContact CD2-CB 3.87Å; L231-E349 HydrophobicContact CD2-CG 4.28Å; M234-E349 HydrophobicContact CB-CG 3.88Å; M234-E349 HydrophobicContact CG-CG 4.27Å; H347-E349 VanDerWaalsContact CE1-CG 3.44Å; H347-E349 WeakPolarHBondContact CE1-CG 3.44Å; H347-E349 WeakPolarHBondContact ND1-CB 3.25Å; H347-E349 WeakPolarHBondContact ND1-CG 3.44Å; H347-E349 PolarHBondContact ND1-N 3.13Å; H347-E349 PolarHBondContact O-N 3.28Å; H347-E349 VanDerWaalsContact O-N 3.09Å
350H90.4Very high94.2Very high113 Ų11368.6 Ų68.652%0.52335%0.347SS..G310 helixtrans-93.3-8172.6-68.3-53.5000113.8L344 H347 P348L344-H350 PolarHBondContact O-CD2 3.08Å; L344-H350 PolarHBondContact O-NE2 2.89Å; H347-H350 WeakPolarHBondContact O-CB 3.41Å; H347-H350 PolarHBondContact O-N 2.99Å; P348-H350 PolarHBondContact O-N 3.02Å
351R80.4Confident93.8Very high262 Ų26274.8 Ų74.899%0.98938%0.379SS*.  trans-95.80174.8-61.9-175.6-69.2-164.2-4.3109.7P348P348-R351 PolarHBondContact O-N 3.2Å

Retrieved 351 of 351 residues in 125.9 ms (Link to these results)

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