A0A087Y9A8_POEFO Loading...

Phosphopantothenate--cysteine ligase

Catalyzes the second step in the biosynthesis of coenzyme A from vitamin B5, where cysteine is conjugated to 4'-phosphopantothenate to form 4-phosphopantothenoylcysteine. Has a preference for ATP over CTP as a cosubstrate.

AlphaFold DB , UniProt , Accession A0A087Y9A8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 322 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
1M34.1Very low51Low246 Ų246112 Ų112100%1.21261%0.607SS**  0112.80-69.6176.2-159.900106.4
2A29.6Very low53Low101 Ų101111.5 Ų111.584%0.83560%0.595SS**PPolyproline II helixtrans-79123.6174.200000107.6
3E29.5Very low55.2Low178 Ų178103.2 Ų103.283%0.83255%0.551SS**PPolyproline II helixtrans-55.9138.5170-71.8178.5160.800109.3R5E3-R5 PolarHBondContact O-N 3.36Å; E3-R5 VanDerWaalsContact O-N 3.08Å
4P40.6Very low56.6Low119 Ų119100.4 Ų100.477%0.77355%0.549SS*.PPolyproline II helixtrans-63.1117.8176.624.9-30000108.4I6P4-I6 PolarHBondContact O-N 3.44Å
5R42.6Very low58Low247 Ų247104.2 Ų104.293%0.93256%0.561SS**  trans-58.5104.4169.2-88.5-177.9174.7172.9-1.3107.9E3 S7E3-R5 PolarHBondContact O-N 3.36Å; E3-R5 VanDerWaalsContact O-N 3.08Å; R5-S7 PolarHBondContact O-N 3.31Å
6I49.1Very low59.6Low132 Ų132100.8 Ų100.868%0.67754%0.541SS*.  trans-61.2117.4168.8-60.9175.2000106.1P4 D10P4-I6 PolarHBondContact O-N 3.44Å; I6-D10 HydrophobicContact CG2-CB 3.77Å
7S58.5Low61.2Low21 Ų2195.4 Ų95.415%0.14751%0.511CS..  trans-61.5145.6175.375.30000108.4R5 I9 D10 G11R5-S7 PolarHBondContact O-N 3.31Å; S7-I9 PolarHBondContact O-N 3.04Å; S7-D10 WeakPolarHBondContact CB-OD2 3.26Å; S7-D10 PolarHBondContact N-OD2 3.02Å; S7-D10 WeakPolarHBondContact O-CB 3.32Å; S7-D10 PolarHBondContact O-N 3.32Å; S7-D10 PolarHBondContact OG-N 3.44Å; S7-D10 VanDerWaalsContact OG-N 3.16Å; S7-D10 PolarHBondContact OG-OD2 2.96Å; S7-G11 PolarHBondContact O-N 3.24Å
8S65.6Low62.5Low97 Ų9794.2 Ų94.268%0.67852%0.516SS*.Hα-helixtrans-57.1-18177.362.10000113.1K12S8-K12 WeakPolarHBondContact O-CG 3.45Å; S8-K12 PolarHBondContact O-N 3.28Å
9I71.8Confident63.9Low42 Ų4293.8 Ų93.822%0.21552%0.517CS..Hα-helixtrans-81.9-34.3176.4-60.2171.6000111.2S7 K12 L13 P223S7-I9 PolarHBondContact O-N 3.04Å; I9-K12 PolarHBondContact O-N 3.03Å; I9-L13 WeakPolarHBondContact O-CB 3.48Å; I9-L13 PolarHBondContact O-N 3.49Å; I9-P223 HydrophobicContact CB-CG 4.5Å; I9-P223 HydrophobicContact CD1-CB 4.17Å; I9-P223 HydrophobicContact CD1-CG 3.76Å; I9-P223 HydrophobicContact CG2-CG 4.08Å
10D71.1Confident65.2Low26 Ų2689.9 Ų89.914%0.13950%0.496CS..Hα-helixtrans-65.2-40.4177.1-69.2-45.6000112I6 S7 L13 A14 K167 W228I6-D10 HydrophobicContact CG2-CB 3.77Å; S7-D10 WeakPolarHBondContact CB-OD2 3.26Å; S7-D10 PolarHBondContact N-OD2 3.02Å; S7-D10 WeakPolarHBondContact O-CB 3.32Å; S7-D10 PolarHBondContact O-N 3.32Å; S7-D10 PolarHBondContact OG-N 3.44Å; S7-D10 VanDerWaalsContact OG-N 3.16Å; S7-D10 PolarHBondContact OG-OD2 2.96Å; D10-L13 PolarHBondContact O-N 3.09Å; D10-A14 PolarHBondContact O-N 3.35Å; D10-K167 VanDerWaalsContact CG-NZ 3.32Å; D10-K167 WeakPolarHBondContact OD1-CE 3.45Å; D10-K167 IonicContact OD1-NZ 3.64Å; D10-K167 PolarHBondContact OD1-NZ 3.03Å; D10-W228 PolarHBondContact OD1-NE1 3.49Å
11G69Low66.4Low23 Ų2391.6 Ų91.624%0.23752%0.515CS..Hα-helixtrans-61.7-50.8172.400000111.7S7 L13 A14 E15S7-G11 PolarHBondContact O-N 3.24Å; G11-L13 VanDerWaalsContact C-N 3.31Å; G11-L13 PolarHBondContact O-N 3.5Å; G11-A14 PolarHBondContact O-N 2.9Å; G11-E15 WeakPolarHBondContact O-CB 3.49Å; G11-E15 WeakPolarHBondContact O-CG 3.43Å; G11-E15 PolarHBondContact O-N 3.37Å
12K75.1Confident69.2Low106 Ų10682.9 Ų82.946%0.46147%0.471SS..Hα-helixtrans-58.9-39176.6-75.8-177.2177.2-168.90113.3S8 I9 E15 E16S8-K12 WeakPolarHBondContact O-CG 3.45Å; S8-K12 PolarHBondContact O-N 3.28Å; I9-K12 PolarHBondContact O-N 3.03Å; K12-E15 PolarHBondContact O-N 2.9Å; K12-E16 VanDerWaalsContact O-CB 3.27Å; K12-E16 WeakPolarHBondContact O-CB 3.37Å; K12-E16 WeakPolarHBondContact O-CG 3.25Å; K12-E16 PolarHBondContact O-N 3.34Å
13L81.5Confident72.2Confident4 Ų478.5 Ų78.52%0.02143%0.434CS..Hα-helixtrans-65-43.3179.2-171.872.6000111.1I9 D10 G11 F17 L163 K167I9-L13 WeakPolarHBondContact O-CB 3.48Å; I9-L13 PolarHBondContact O-N 3.49Å; D10-L13 PolarHBondContact O-N 3.09Å; G11-L13 VanDerWaalsContact C-N 3.31Å; G11-L13 PolarHBondContact O-N 3.5Å; L13-F17 HydrophobicContact CD1-CB 4.31Å; L13-F17 HydrophobicContact CD1-CD2 3.7Å; L13-F17 HydrophobicContact CD1-CE2 4.31Å; L13-F17 HydrophobicContact CD1-CG 4.16Å; L13-F17 WeakPolarHBondContact O-CB 3.44Å; L13-F17 PolarHBondContact O-N 3.16Å; L13-F17 VanDerWaalsContact O-N 3.12Å; L13-L163 HydrophobicContact CD1-CB 3.67Å; L13-L163 HydrophobicContact CD1-CD1 3.75Å; L13-L163 HydrophobicContact CD1-CG 4.31Å; L13-K167 HydrophobicContact CD2-CD 3.83Å
14A74.9Confident75.4Confident63 Ų6375.4 Ų75.452%0.52142%0.419SS..Hα-helixtrans-70.3-32.9178.400000112.9D10 G11D10-A14 PolarHBondContact O-N 3.35Å; G11-A14 PolarHBondContact O-N 2.9Å
15E76.9Confident78.1Confident158 Ų15874.5 Ų74.574%0.73841%0.405SS*.Hα-helixtrans-77.2-41.4179.4-73.3172-173.600112.9G11 K12G11-E15 WeakPolarHBondContact O-CB 3.49Å; G11-E15 WeakPolarHBondContact O-CG 3.43Å; G11-E15 PolarHBondContact O-N 3.37Å; K12-E15 PolarHBondContact O-N 2.9Å
16E83.8Confident80.7Confident50 Ų5063.4 Ų63.423%0.23436%0.364CS..Hα-helixtrans-94.3-22.9-171-63.3179.1178.400113.6K12 Y192K12-E16 VanDerWaalsContact O-CB 3.27Å; K12-E16 WeakPolarHBondContact O-CB 3.37Å; K12-E16 WeakPolarHBondContact O-CG 3.25Å; K12-E16 PolarHBondContact O-N 3.34Å; E16-Y192 HydrophobicContact CB-CE2 4.22Å; E16-Y192 PolarHBondContact OE2-OH 3.48Å
17F86.3Confident83Confident9 Ų959.7 Ų59.74%0.03934%0.343CS..SBendtrans-124.3119.8-174.1-61.8-87000110.9L13 V19 L159 S160 L163 H164 Y192 P218L13-F17 HydrophobicContact CD1-CB 4.31Å; L13-F17 HydrophobicContact CD1-CD2 3.7Å; L13-F17 HydrophobicContact CD1-CE2 4.31Å; L13-F17 HydrophobicContact CD1-CG 4.16Å; L13-F17 WeakPolarHBondContact O-CB 3.44Å; L13-F17 PolarHBondContact O-N 3.16Å; L13-F17 VanDerWaalsContact O-N 3.12Å; F17-V19 PolarHBondContact O-N 3.22Å; F17-L159 HydrophobicContact CE1-CD2 3.78Å; F17-L159 HydrophobicContact CE1-CG 4.16Å; F17-L159 HydrophobicContact CZ-CD2 4.41Å; F17-S160 WeakPolarHBondContact CB-OG 3.41Å; F17-L163 HydrophobicContact CD1-CD1 3.91Å; F17-L163 HydrophobicContact CD2-CD1 4.16Å; F17-L163 HydrophobicContact CE1-CD1 3.72Å; F17-L163 HydrophobicContact CE2-CD1 3.97Å; F17-L163 HydrophobicContact CG-CD1 4.12Å; F17-L163 HydrophobicContact CZ-CD1 3.74Å; F17-H164 PolarHBondContact O-NE2 3.42Å; F17-Y192 HydrophobicContact CD1-CD2 4.4Å; F17-Y192 AromaticContact CE1-CD2 3.48Å; F17-Y192 HydrophobicContact CE1-CD2 3.48Å; F17-Y192 VanDerWaalsContact CE1-CD2 3.48Å; F17-Y192 AromaticContact CE1-CE2 3.88Å; F17-Y192 HydrophobicContact CE1-CE2 3.88Å; F17-Y192 AromaticContact CE1-CG 3.87Å; F17-Y192 HydrophobicContact CE1-CG 3.87Å; F17-Y192 HydrophobicContact CE2-CD2 4.46Å; F17-Y192 HydrophobicContact CE2-CE2 4.05Å; F17-Y192 HydrophobicContact CZ-CD1 4.05Å; F17-Y192 AromaticContact CZ-CD2 3.52Å; F17-Y192 HydrophobicContact CZ-CD2 3.52Å; F17-Y192 HydrophobicContact CZ-CE1 4.07Å; F17-Y192 AromaticContact CZ-CE2 3.52Å; F17-Y192 HydrophobicContact CZ-CE2 3.52Å; F17-Y192 AromaticContact CZ-CG 3.82Å; F17-Y192 HydrophobicContact CZ-CG 3.82Å; F17-Y192 AromaticContact CZ-CZ 3.83Å; F17-P218 HydrophobicContact CE2-CG 4.4Å
18A85.9Confident84.9Confident73 Ų7365.2 Ų65.260%0.60337%0.366SS*.PPolyproline II helixtrans-58.7125.7178.600000111.5P20 S160 H164A18-P20 WeakPolarHBondContact O-CD 3.4Å; A18-S160 PolarHBondContact N-OG 2.9Å; A18-S160 VanDerWaalsContact N-OG 3.13Å; A18-S160 PolarHBondContact O-OG 2.84Å; A18-H164 PolarHBondContact O-CD2 3.27Å
19V88.9Confident86.5Confident87 Ų8765.4 Ų65.453%0.52736%0.355SS..PPolyproline II helixtrans-71.2122.7178.7-174.30000109.2F17F17-V19 PolarHBondContact O-N 3.22Å
20P88.9Confident87.8Confident15 Ų1563.5 Ų63.510%0.09735%0.346CS..PPolyproline II helixtrans-62.4136.7173.2-19.130.2000111.1A18 H22 V23 E161 H164A18-P20 WeakPolarHBondContact O-CD 3.4Å; P20-H22 PolarHBondContact O-N 3.08Å; P20-V23 HydrophobicContact CB-CG2 4.03Å; P20-V23 HydrophobicContact CG-CG2 3.92Å; P20-V23 PolarHBondContact O-N 3.2Å; P20-E161 HydrophobicContact CB-CG 4.34Å; P20-E161 HydrophobicContact CG-CB 4.17Å; P20-E161 HydrophobicContact CG-CG 3.74Å; P20-H164 HydrophobicContact CG-CB 4.29Å
21S91.1Very high89.1Confident127 Ų12763.9 Ų63.989%0.88835%0.352SS*.THydrogen-bonded Turntrans-59.9-23.2-176.653.80000114.5
22H91.8Very high90.5Very high62 Ų6265.9 Ų65.929%0.28737%0.366SS..THydrogen-bonded Turntrans-100.77.6-175.361.4-92.2000113.9P20 E24 E25 V26P20-H22 PolarHBondContact O-N 3.08Å; H22-E24 PolarHBondContact O-N 3.09Å; H22-E25 PolarHBondContact O-N 3.41Å; H22-V26 WeakPolarHBondContact O-CB 3.26Å; H22-V26 WeakPolarHBondContact O-CG2 3.13Å; H22-V26 PolarHBondContact O-N 3.03Å
23V94.6Very high91.6Very high10 Ų1061.5 Ų61.56%0.06135%0.347CS..Hα-helixtrans-62.1-42.5-173.6137.90000113.4P20 V26 K27 H164 L165P20-V23 HydrophobicContact CB-CG2 4.03Å; P20-V23 HydrophobicContact CG-CG2 3.92Å; P20-V23 PolarHBondContact O-N 3.2Å; V23-V26 PolarHBondContact O-N 3.2Å; V23-K27 WeakPolarHBondContact O-CB 3.08Å; V23-K27 PolarHBondContact O-N 3.35Å; V23-H164 HydrophobicContact CG2-CB 3.88Å; V23-L165 HydrophobicContact CG2-CD2 3.82Å; V23-L165 HydrophobicContact CG2-CG 4.24Å
24E95.6Very high92.4Very high113 Ų11361.3 Ų61.353%0.52835%0.346SS..Hα-helixtrans-69.3-41.3-179.1-66.6-55.4139.200111.4H22 V26 K27 E28H22-E24 PolarHBondContact O-N 3.09Å; E24-V26 VanDerWaalsContact C-N 3.31Å; E24-V26 PolarHBondContact O-N 3.29Å; E24-K27 WeakPolarHBondContact O-CB 3.48Å; E24-K27 PolarHBondContact O-N 3.01Å; E24-K27 IonicContact OE2-NZ 3.84Å; E24-E28 WeakPolarHBondContact O-CG 3.2Å; E24-E28 PolarHBondContact O-N 3.47Å
25E96.9Very high93.6Very high100 Ų10060.8 Ų60.847%0.46734%0.342SS..Hα-helixtrans-59.6-43.7174.3-172.1-163.1147.600111.4H22 E28 K29H22-E25 PolarHBondContact O-N 3.41Å; E25-E28 PolarHBondContact O-N 2.88Å; E25-K29 WeakPolarHBondContact O-CG 3.32Å; E25-K29 PolarHBondContact O-N 3.02Å; E25-K29 VanDerWaalsContact OE1-CE 3.3Å; E25-K29 WeakPolarHBondContact OE1-CE 3.24Å; E25-K29 IonicContact OE1-NZ 3.57Å; E25-K29 PolarHBondContact OE1-NZ 3.38Å
26V97.1Very high94.6Very high13 Ų1359.4 Ų59.48%0.07933%0.33CS..Hα-helixtrans-67.1-37.8177.4166.80000111.5H22 V23 E24 K29 M30 I154 L165H22-V26 WeakPolarHBondContact O-CB 3.26Å; H22-V26 WeakPolarHBondContact O-CG2 3.13Å; H22-V26 PolarHBondContact O-N 3.03Å; V23-V26 PolarHBondContact O-N 3.2Å; E24-V26 VanDerWaalsContact C-N 3.31Å; E24-V26 PolarHBondContact O-N 3.29Å; V26-K29 PolarHBondContact O-N 3.45Å; V26-M30 HydrophobicContact CG1-CE 3.69Å; V26-M30 HydrophobicContact CG1-CG 4.45Å; V26-M30 HydrophobicContact CG1-SD 4.28Å; V26-M30 WeakPolarHBondContact O-CG 3.46Å; V26-M30 PolarHBondContact O-N 3.13Å; V26-I154 HydrophobicContact CG1-CD1 3.75Å; V26-I154 HydrophobicContact CG1-CG1 4.14Å; V26-I154 HydrophobicContact CG1-CG2 3.7Å; V26-I154 HydrophobicContact CG2-CD1 4.44Å; V26-L165 HydrophobicContact CB-CD2 4.1Å; V26-L165 HydrophobicContact CG1-CD2 3.67Å
27K98.2Very high95.3Very high55 Ų5557.5 Ų57.524%0.23932%0.321CS..Hα-helixtrans-59.2-46.5173.8-175.2177.1166.2-178.60111.8V23 E24 M30 A31 A168V23-K27 WeakPolarHBondContact O-CB 3.08Å; V23-K27 PolarHBondContact O-N 3.35Å; E24-K27 WeakPolarHBondContact O-CB 3.48Å; E24-K27 PolarHBondContact O-N 3.01Å; E24-K27 IonicContact OE2-NZ 3.84Å; K27-M30 PolarHBondContact O-N 3.28Å; K27-A31 WeakPolarHBondContact O-CB 3.44Å; K27-A31 PolarHBondContact O-N 3.34Å; K27-A168 HydrophobicContact CB-CB 3.94Å; K27-A168 HydrophobicContact CD-CB 4.38Å; K27-A168 HydrophobicContact CG-CB 4.19Å
28E98.3Very high95.8Very high136 Ų13658.1 Ų58.164%0.63633%0.328SS*.Hα-helixtrans-61.3-44.1176.8-71.4179173.300111.7E24 E25 M30 A31 A32E24-E28 WeakPolarHBondContact O-CG 3.2Å; E24-E28 PolarHBondContact O-N 3.47Å; E25-E28 PolarHBondContact O-N 2.88Å; E28-M30 PolarHBondContact O-N 3.22Å; E28-A31 PolarHBondContact O-N 2.8Å; E28-A32 WeakPolarHBondContact O-CB 3.42Å; E28-A32 PolarHBondContact O-N 3Å
29K98.4Very high96.4Very high102 Ų10263.9 Ų63.944%0.44334%0.34SS..Hα-helixtrans-58.2-46174.5-75.1170.8171.91710112E25 V26 F33E25-K29 WeakPolarHBondContact O-CG 3.32Å; E25-K29 PolarHBondContact O-N 3.02Å; E25-K29 VanDerWaalsContact OE1-CE 3.3Å; E25-K29 WeakPolarHBondContact OE1-CE 3.24Å; E25-K29 IonicContact OE1-NZ 3.57Å; E25-K29 PolarHBondContact OE1-NZ 3.38Å; V26-K29 PolarHBondContact O-N 3.45Å; K29-F33 WeakPolarHBondContact O-CB 3.34Å; K29-F33 PolarHBondContact O-N 3.46Å
30M98.7Very high96.8Very high2 Ų263.4 Ų63.41%0.0135%0.345CS..Hα-helixtrans-65.5-40177.6-69.6-174.5-67.700112V26 K27 E28 F33 A34 I88 L152 I154 A168 A169 A172V26-M30 HydrophobicContact CG1-CE 3.69Å; V26-M30 HydrophobicContact CG1-CG 4.45Å; V26-M30 HydrophobicContact CG1-SD 4.28Å; V26-M30 WeakPolarHBondContact O-CG 3.46Å; V26-M30 PolarHBondContact O-N 3.13Å; K27-M30 PolarHBondContact O-N 3.28Å; E28-M30 PolarHBondContact O-N 3.22Å; M30-F33 PolarHBondContact O-N 3.48Å; M30-A34 WeakPolarHBondContact O-CB 3.49Å; M30-A34 PolarHBondContact O-N 2.84Å; M30-I88 HydrophobicContact CB-CD1 3.96Å; M30-I88 HydrophobicContact CG-CD1 3.98Å; M30-I88 HydrophobicContact CG-CG2 4.15Å; M30-I88 HydrophobicContact SD-CD1 4.49Å; M30-I88 HydrophobicContact SD-CG2 4.04Å; M30-L152 HydrophobicContact CG-CD2 4.04Å; M30-I154 HydrophobicContact CG-CG1 4.46Å; M30-I154 HydrophobicContact SD-CG1 4.47Å; M30-A168 HydrophobicContact CE-CB 3.81Å; M30-A169 VanDerWaalsContact CE-CA 3.49Å; M30-A169 HydrophobicContact CE-CB 3.83Å; M30-A169 VanDerWaalsContact CE-N 3.33Å; M30-A169 HydrophobicContact SD-CB 3.48Å; M30-A169 WeakPolarHBondContact SD-CB 3.36Å; M30-A172 HydrophobicContact CB-CB 3.86Å
31A98.7Very high97.1Very high34 Ų3465.3 Ų65.328%0.28137%0.367SS..Hα-helixtrans-65.8-45.4178.100000111.8K27 E28 F33 A34 A35 A172K27-A31 WeakPolarHBondContact O-CB 3.44Å; K27-A31 PolarHBondContact O-N 3.34Å; E28-A31 PolarHBondContact O-N 2.8Å; A31-F33 VanDerWaalsContact C-N 3.34Å; A31-F33 PolarHBondContact O-N 2.67Å; A31-A34 PolarHBondContact O-N 3.36Å; A31-A35 WeakPolarHBondContact O-CB 3.29Å; A31-A35 PolarHBondContact O-N 3.44Å; A31-A172 HydrophobicContact CB-CB 4.03Å
32A98.7Very high97.5Very high64 Ų6463.3 Ų63.353%0.52934%0.34SS..Hα-helixtrans-61.5-42.5175.700000111.7E28 R36E28-A32 WeakPolarHBondContact O-CB 3.42Å; E28-A32 PolarHBondContact O-N 3Å; A32-R36 WeakPolarHBondContact O-CB 3.48Å; A32-R36 PolarHBondContact O-N 2.86Å
33F98.8Very high97.8Very high14 Ų1462.4 Ų62.46%0.06133%0.334CS..Hα-helixtrans-61.3-46.9175.2-176.9-90.9000112.1K29 M30 A31 H37 V44 A86 I88 G149 L152K29-F33 WeakPolarHBondContact O-CB 3.34Å; K29-F33 PolarHBondContact O-N 3.46Å; M30-F33 PolarHBondContact O-N 3.48Å; A31-F33 VanDerWaalsContact C-N 3.34Å; A31-F33 PolarHBondContact O-N 2.67Å; F33-H37 AromaticContact CD1-CD2 3.84Å; F33-H37 AromaticContact CD2-CD2 3.99Å; F33-H37 AromaticContact CE1-CD2 3.58Å; F33-H37 AromaticContact CE2-CD2 3.76Å; F33-H37 AromaticContact CE2-NE2 3.5Å; F33-H37 AromaticContact CZ-CD2 3.56Å; F33-H37 AromaticContact CZ-NE2 3.52Å; F33-H37 PolarHBondContact O-CD2 3.49Å; F33-H37 VanDerWaalsContact O-CD2 3.31Å; F33-H37 PolarHBondContact O-N 2.89Å; F33-V44 HydrophobicContact CD1-CG1 4.28Å; F33-V44 HydrophobicContact CE1-CG1 4.07Å; F33-A86 HydrophobicContact CE1-CB 3.72Å; F33-A86 HydrophobicContact CZ-CB 3.71Å; F33-I88 HydrophobicContact CD1-CD1 4.04Å; F33-I88 HydrophobicContact CD1-CG1 3.68Å; F33-I88 HydrophobicContact CE1-CG1 3.76Å; F33-G149 WeakPolarHBondContact CE2-O 3.43Å; F33-L152 HydrophobicContact CB-CD2 3.77Å; F33-L152 HydrophobicContact CD1-CB 4.41Å; F33-L152 HydrophobicContact CD1-CD2 4.45Å; F33-L152 HydrophobicContact CD2-CB 3.72Å; F33-L152 HydrophobicContact CD2-CD2 4.19Å; F33-L152 HydrophobicContact CD2-CG 4.48Å; F33-L152 HydrophobicContact CE1-CB 4.37Å; F33-L152 HydrophobicContact CE2-CB 3.66Å; F33-L152 HydrophobicContact CG-CB 4.09Å; F33-L152 HydrophobicContact CG-CD2 3.91Å; F33-L152 HydrophobicContact CZ-CB 3.99Å
34A98.7Very high98Very high0 Ų062 Ų620%033%0.331CS..Hα-helixtrans-62.3-47.3178.200000111.7M30 A31 R36 H37 A38 L173 I176M30-A34 WeakPolarHBondContact O-CB 3.49Å; M30-A34 PolarHBondContact O-N 2.84Å; A31-A34 PolarHBondContact O-N 3.36Å; A34-R36 PolarHBondContact O-N 3.37Å; A34-H37 PolarHBondContact O-N 3.43Å; A34-A38 VanDerWaalsContact O-CB 3.27Å; A34-A38 WeakPolarHBondContact O-CB 3.41Å; A34-A38 PolarHBondContact O-N 2.95Å; A34-L173 HydrophobicContact CB-CD1 4.37Å; A34-I176 HydrophobicContact CB-CD1 4.38Å; A34-I176 HydrophobicContact CB-CG2 4.16Å
35A98.5Very high98.1Very high53 Ų5356.6 Ų56.644%0.43831%0.306SS..Hα-helixtrans-61.6-44.8179.400000112.3A31 H37 A38 K39A31-A35 WeakPolarHBondContact O-CB 3.29Å; A31-A35 PolarHBondContact O-N 3.44Å; A35-H37 PolarHBondContact O-N 3.03Å; A35-A38 PolarHBondContact O-N 3.31Å; A35-K39 WeakPolarHBondContact O-CB 3.35Å; A35-K39 PolarHBondContact O-N 3.41Å
36R98.5Very high98.2Very high129 Ų12951.8 Ų51.849%0.48728%0.284SS..Hα-helixtrans-57.2-49.5177.2-179-177.865.4170.1-2.4111.5A32 A34 K39 A40 G149A32-R36 WeakPolarHBondContact O-CB 3.48Å; A32-R36 PolarHBondContact O-N 2.86Å; A34-R36 PolarHBondContact O-N 3.37Å; R36-K39 PolarHBondContact O-N 3.06Å; R36-A40 PolarHBondContact O-N 3.46Å; R36-G149 PolarHBondContact NH2-O 2.86Å
37H98.6Very high98.3Very high9 Ų951.2 Ų51.24%0.04228%0.28CS..Hα-helixtrans-73.1-37.1-177-77.8-57.5000112.5F33 A34 A35 K39 A40 G41 R42 V44 A86 G149F33-H37 AromaticContact CD1-CD2 3.84Å; F33-H37 AromaticContact CD2-CD2 3.99Å; F33-H37 AromaticContact CE1-CD2 3.58Å; F33-H37 AromaticContact CE2-CD2 3.76Å; F33-H37 AromaticContact CE2-NE2 3.5Å; F33-H37 AromaticContact CZ-CD2 3.56Å; F33-H37 AromaticContact CZ-NE2 3.52Å; F33-H37 PolarHBondContact O-CD2 3.49Å; F33-H37 VanDerWaalsContact O-CD2 3.31Å; F33-H37 PolarHBondContact O-N 2.89Å; A34-H37 PolarHBondContact O-N 3.43Å; A35-H37 PolarHBondContact O-N 3.03Å; H37-K39 VanDerWaalsContact C-N 3.34Å; H37-K39 PolarHBondContact O-N 3.48Å; H37-A40 CarbonylContact O-C 3.47Å; H37-A40 WeakPolarHBondContact O-CA 3.27Å; H37-A40 PolarHBondContact O-N 2.95Å; H37-A40 VanDerWaalsContact O-N 3.11Å; H37-G41 PolarHBondContact O-N 2.79Å; H37-R42 HydrophobicContact CB-CB 4.14Å; H37-R42 WeakPolarHBondContact O-CB 3.46Å; H37-R42 PolarHBondContact O-N 3.13Å; H37-V44 HydrophobicContact CB-CG2 3.81Å; H37-A86 HydrophobicContact CB-CB 4.1Å; H37-A86 WeakPolarHBondContact CD2-CB 3.36Å; H37-A86 VanDerWaalsContact CG-CB 3.46Å; H37-A86 WeakPolarHBondContact NE2-CB 3.43Å; H37-G149 PolarHBondContact NE2-O 2.91Å
38A96.9Very high98.4Very high22 Ų2248.6 Ų48.618%0.18227%0.268CS..Hα-helixtrans-62.6-39.2173.600000112.7A34 A35 A40 G41 I176A34-A38 VanDerWaalsContact O-CB 3.27Å; A34-A38 WeakPolarHBondContact O-CB 3.41Å; A34-A38 PolarHBondContact O-N 2.95Å; A35-A38 PolarHBondContact O-N 3.31Å; A38-A40 VanDerWaalsContact C-N 3.26Å; A38-A40 PolarHBondContact O-N 3.06Å; A38-G41 PolarHBondContact O-N 3.17Å; A38-I176 HydrophobicContact CB-CB 4.12Å; A38-I176 HydrophobicContact CB-CG2 3.45Å; A38-I176 VanDerWaalsContact CB-CG2 3.45Å
39K97.6Very high98.4Very high195 Ų19542.1 Ų42.185%0.84824%0.238SC*.Hα-helixtrans-61.6-34.5173.3-173.8179.3-179.9-178.90112A35 R36 H37 G41A35-K39 WeakPolarHBondContact O-CB 3.35Å; A35-K39 PolarHBondContact O-N 3.41Å; R36-K39 PolarHBondContact O-N 3.06Å; H37-K39 VanDerWaalsContact C-N 3.34Å; H37-K39 PolarHBondContact O-N 3.48Å; K39-G41 PolarHBondContact O-N 3.37Å
40A97.2Very high98.4Very high77 Ų7737.3 Ų37.364%0.63622%0.217SC*.THydrogen-bonded Turntrans-80.27.5174.100000113.8R36 H37 A38 R42R36-A40 PolarHBondContact O-N 3.46Å; H37-A40 CarbonylContact O-C 3.47Å; H37-A40 WeakPolarHBondContact O-CA 3.27Å; H37-A40 PolarHBondContact O-N 2.95Å; H37-A40 VanDerWaalsContact O-N 3.11Å; A38-A40 VanDerWaalsContact C-N 3.26Å; A38-A40 PolarHBondContact O-N 3.06Å; A40-R42 PolarHBondContact O-N 2.88Å
41G96.8Very high98.3Very high54 Ų5437.3 Ų37.356%0.55722%0.218SC*.THydrogen-bonded Turntrans72.89.1-178.400000114.4H37 A38 K39H37-G41 PolarHBondContact O-N 2.79Å; A38-G41 PolarHBondContact O-N 3.17Å; K39-G41 PolarHBondContact O-N 3.37Å
42R98.1Very high98.2Very high85 Ų8535.7 Ų35.732%0.32120%0.204SC..  trans-88.6139.9-176.4-168.4176.5-64.7-80.33.9111.3H37 A40 G84 A86H37-R42 HydrophobicContact CB-CB 4.14Å; H37-R42 WeakPolarHBondContact O-CB 3.46Å; H37-R42 PolarHBondContact O-N 3.13Å; A40-R42 PolarHBondContact O-N 2.88Å; R42-G84 VanDerWaalsContact CG-O 3.26Å; R42-G84 WeakPolarHBondContact CG-O 3.47Å; R42-G84 PolarHBondContact NH1-O 2.91Å; R42-A86 HydrophobicContact CG-CB 4.44Å
43R98.6Very high98.1Very high44 Ų4434.1 Ų34.117%0.16619%0.186CC..  trans-76.4148.7172-64.3166.5-68.4175.86110S83 Y85 A86 N311 I314R43-S83 PolarHBondContact NH2-O 2.75Å; R43-Y85 HydrophobicContact CB-CD1 3.54Å; R43-Y85 HydrophobicContact CB-CE1 3.44Å; R43-Y85 VanDerWaalsContact CB-CE1 3.44Å; R43-Y85 HydrophobicContact CB-CG 4.25Å; R43-Y85 HydrophobicContact CG-CE1 4.32Å; R43-Y85 PolarHBondContact NH1-OH 2.94Å; R43-Y85 WeakPolarHBondContact O-CA 3.43Å; R43-A86 PolarHBondContact O-N 2.97Å; R43-N311 PolarHBondContact NH1-OD1 2.89Å; R43-I314 HydrophobicContact CG-CD1 4.17Å
44V98.9Very high98Very high0 Ų033.7 Ų33.70%018%0.184CC..EExtended strand (participates in β ladder)trans-121.1132179.2-175.20000109.3F33 H37 A86 I88 L173 I176 K179 A180 M181F33-V44 HydrophobicContact CD1-CG1 4.28Å; F33-V44 HydrophobicContact CE1-CG1 4.07Å; H37-V44 HydrophobicContact CB-CG2 3.81Å; V44-A86 CarbonylContact C-O 3.57Å; V44-A86 VanDerWaalsContact CA-O 3.32Å; V44-A86 WeakPolarHBondContact CA-O 3.34Å; V44-A86 HydrophobicContact CG2-CB 4.43Å; V44-I88 HydrophobicContact CG1-CD1 4.32Å; V44-I88 HydrophobicContact CG1-CG1 4.17Å; V44-L173 HydrophobicContact CG1-CD2 4.38Å; V44-I176 HydrophobicContact CB-CD1 3.65Å; V44-I176 HydrophobicContact CG2-CD1 3.77Å; V44-K179 PolarHBondContact N-O 3.44Å; V44-K179 VanDerWaalsContact N-O 3.09Å; V44-A180 CarbonylContact O-C 3.57Å; V44-A180 WeakPolarHBondContact O-CA 3.5Å; V44-M181 PolarHBondContact O-N 3.19Å
45V98.9Very high97.8Very high0 Ų034.8 Ų34.80%019%0.191CC..EExtended strand (participates in β ladder)trans-115.8128.5173.761.40000110.1I47 F80 Y85 A86 V87 I88 M181V45-I47 HydrophobicContact CG1-CD1 4.34Å; V45-I47 HydrophobicContact CG1-CG1 4.28Å; V45-I47 HydrophobicContact CG2-CG1 3.99Å; V45-F80 HydrophobicContact CG1-CB 3.97Å; V45-F80 HydrophobicContact CG1-CD1 4.15Å; V45-F80 HydrophobicContact CG1-CD2 4.22Å; V45-F80 HydrophobicContact CG1-CG 3.87Å; V45-F80 HydrophobicContact CG2-CE2 4.36Å; V45-F80 HydrophobicContact CG2-CZ 4.38Å; V45-Y85 HydrophobicContact CB-CD1 3.91Å; V45-Y85 HydrophobicContact CB-CE1 4.45Å; V45-Y85 HydrophobicContact CG1-CD1 4.02Å; V45-Y85 HydrophobicContact CG1-CG 4.25Å; V45-A86 PolarHBondContact N-O 2.9Å; V45-V87 HydrophobicContact CG1-CB 4.38Å; V45-V87 HydrophobicContact CG1-CG2 3.7Å; V45-V87 WeakPolarHBondContact O-CA 3.46Å; V45-I88 PolarHBondContact O-N 3.44Å; V45-M181 CarbonylContact C-O 3.55Å; V45-M181 VanDerWaalsContact CA-O 3.3Å; V45-M181 WeakPolarHBondContact CA-O 3.36Å; V45-M181 HydrophobicContact CB-CB 4.06Å; V45-M181 HydrophobicContact CB-CG 4.47Å; V45-M181 HydrophobicContact CG2-CB 3.87Å; V45-M181 HydrophobicContact CG2-CG 3.77Å; V45-M181 HydrophobicContact CG2-SD 3.85Å
46L98.9Very high97.7Very high0 Ų032.9 Ų32.90%017%0.174CC..EExtended strand (participates in β ladder)trans-85.6119.6162.5-179.575.3000108.2T48 I88 L90 L166 A169 L173 M181 F182 Y183L46-T48 HydrophobicContact CD2-CG2 4.48Å; L46-I88 WeakPolarHBondContact CA-O 3.13Å; L46-I88 HydrophobicContact CD1-CB 3.69Å; L46-I88 HydrophobicContact CD1-CG2 3.44Å; L46-I88 VanDerWaalsContact CD1-CG2 3.44Å; L46-L90 HydrophobicContact CD1-CB 4.01Å; L46-L166 HydrophobicContact CD2-CD1 3.6Å; L46-A169 HydrophobicContact CD1-CB 3.92Å; L46-A169 HydrophobicContact CD2-CB 3.57Å; L46-A169 HydrophobicContact CG-CB 4.37Å; L46-L173 HydrophobicContact CB-CD2 4.05Å; L46-M181 PolarHBondContact N-O 3.06Å; L46-F182 HydrophobicContact CB-CD1 4.12Å; L46-F182 HydrophobicContact CB-CE1 4.24Å; L46-F182 HydrophobicContact CD2-CD1 3.56Å; L46-F182 HydrophobicContact CD2-CE1 3.54Å; L46-F182 HydrophobicContact CG-CD1 4.43Å; L46-Y183 PolarHBondContact O-N 3.48Å
47I98.9Very high97.5Very high0 Ų026.8 Ų26.80%015%0.151CC..EExtended strand (participates in β ladder)trans-105.8124172.5-64.8174.5000108V45 A77 F80 V87 I88 F89 L90 Y183V45-I47 HydrophobicContact CG1-CD1 4.34Å; V45-I47 HydrophobicContact CG1-CG1 4.28Å; V45-I47 HydrophobicContact CG2-CG1 3.99Å; I47-A77 HydrophobicContact CD1-CB 3.72Å; I47-F80 HydrophobicContact CD1-CD2 3.65Å; I47-F80 HydrophobicContact CD1-CE2 4.29Å; I47-F80 HydrophobicContact CG1-CD2 4.34Å; I47-V87 HydrophobicContact CB-CG1 4.47Å; I47-V87 HydrophobicContact CD1-CG1 3.71Å; I47-V87 HydrophobicContact CD1-CG2 4.41Å; I47-V87 HydrophobicContact CG1-CG1 4.17Å; I47-I88 PolarHBondContact N-O 3.46Å; I47-F89 HydrophobicContact CB-CD2 4.04Å; I47-F89 HydrophobicContact CG2-CD2 3.81Å; I47-F89 HydrophobicContact CG2-CE2 3.79Å; I47-L90 PolarHBondContact O-N 3.37Å; I47-Y183 WeakPolarHBondContact CA-O 3.42Å; I47-Y183 HydrophobicContact CB-CD1 4.42Å; I47-Y183 HydrophobicContact CG1-CD1 4.08Å; I47-Y183 HydrophobicContact CG1-CG 4.41Å; I47-Y183 HydrophobicContact CG2-CD1 3.97Å
48T98.8Very high97.1Very high0 Ų029.7 Ų29.70%017%0.172CC..EExtended strand (participates in β ladder)trans-95.5131.5167.5710000110.2L46 L90 Y162 L166 Y183 L184 A185 A186L46-T48 HydrophobicContact CD2-CG2 4.48Å; T48-L90 CarbonylContact C-O 3.57Å; T48-L90 WeakPolarHBondContact CA-O 3.38Å; T48-L90 HydrophobicContact CG2-CD2 4.23Å; T48-Y162 HydrophobicContact CG2-CE2 3.84Å; T48-L166 HydrophobicContact CG2-CD1 4.27Å; T48-Y183 PolarHBondContact N-O 3.19Å; T48-L184 HydrophobicContact CG2-CD2 3.74Å; T48-L184 VanDerWaalsContact OG1-C 3.29Å; T48-L184 VanDerWaalsContact OG1-CA 3.25Å; T48-L184 WeakPolarHBondContact OG1-CA 3.23Å; T48-A185 CarbonylContact O-C 3.51Å; T48-A185 WeakPolarHBondContact O-CA 3.42Å; T48-A185 WeakPolarHBondContact O-CB 3.43Å; T48-A185 PolarHBondContact O-N 3.44Å; T48-A185 PolarHBondContact OG1-N 2.6Å; T48-A185 VanDerWaalsContact OG1-N 3.12Å; T48-A186 PolarHBondContact O-N 2.86Å; T48-A186 VanDerWaalsContact O-N 3.08Å; T48-A186 WeakPolarHBondContact OG1-CB 3.49Å; T48-A186 PolarHBondContact OG1-N 3.49Å
49S98.6Very high96.8Very high1 Ų136 Ų361%0.00719%0.191CC..EExtended strand (participates in β ladder)trans-139.3147.8-175.6-166.10000113.6G70 G73 L90 H91 R92 F156S49-G70 WeakPolarHBondContact OG-CA 3.25Å; S49-G70 PolarHBondContact OG-O 2.88Å; S49-G73 WeakPolarHBondContact OG-CA 3.26Å; S49-L90 PolarHBondContact N-O 2.86Å; S49-H91 CarbonylContact O-C 3.56Å; S49-H91 VanDerWaalsContact O-CA 3.28Å; S49-H91 WeakPolarHBondContact O-CA 3.25Å; S49-R92 PolarHBondContact O-N 2.99Å; S49-F156 WeakPolarHBondContact O-CZ 3.34Å
50G98Very high96.6Very high0 Ų029.5 Ų29.50%017%0.168CC..SBendtrans84.4-178.6179.600000113.9A186 A187G50-A186 CarbonylContact O-C 3.49Å; G50-A186 VanDerWaalsContact O-CA 3.29Å; G50-A186 WeakPolarHBondContact O-CA 3.45Å; G50-A186 WeakPolarHBondContact O-CB 3.36Å; G50-A187 PolarHBondContact O-N 3.26Å
51G97Very high96.4Very high2 Ų229.9 Ų29.92%0.02116%0.162CC..BIsolated β-bridgetrans-93149.3-17800000113.3N66 R92 F156G51-N66 WeakPolarHBondContact CA-O 3.5Å; G51-R92 WeakPolarHBondContact O-CB 3.28Å; G51-R92 VanDerWaalsContact O-CD 3.23Å; G51-R92 WeakPolarHBondContact O-CD 3.42Å; G51-R92 VanDerWaalsContact O-CG 3.28Å; G51-R92 WeakPolarHBondContact O-CG 3.32Å; G51-R92 PolarHBondContact O-NH1 3.46Å; G51-F156 WeakPolarHBondContact O-CE2 3.48Å
52T97.3Very high96.3Very high0 Ų030.9 Ų30.90%015%0.149CC..  trans-90.5146.8165.957.40000110.4N66 F156 L159 Y162 A187 V188 S189T52-N66 PolarHBondContact O-N 3.25Å; T52-N66 VanDerWaalsContact O-N 3.16Å; T52-F156 HydrophobicContact CG2-CD2 4.34Å; T52-F156 HydrophobicContact CG2-CE2 3.74Å; T52-F156 HydrophobicContact CG2-CZ 4.45Å; T52-L159 HydrophobicContact CG2-CD1 4.44Å; T52-Y162 HydrophobicContact CG2-CD1 4.13Å; T52-Y162 HydrophobicContact CG2-CD2 4.26Å; T52-Y162 HydrophobicContact CG2-CG 3.76Å; T52-A187 PolarHBondContact N-O 2.87Å; T52-A187 PolarHBondContact OG1-O 3.11Å; T52-V188 WeakPolarHBondContact OG1-CA 3.49Å; T52-S189 PolarHBondContact O-OG 3.41Å; T52-S189 PolarHBondContact OG1-N 3.41Å; T52-S189 PolarHBondContact OG1-OG 3.36Å
53K96.5Very high96.2Very high31 Ų3131.3 Ų31.314%0.13515%0.153CC..EExtended strand (participates in β ladder)trans-107.8150.4168.180.6-170.2-174.7178.80112.4F63 L64 N157 T158 L159K53-F63 HydrophobicContact CB-CB 4.24Å; K53-F63 HydrophobicContact CB-CD2 3.69Å; K53-F63 HydrophobicContact CB-CE2 4.35Å; K53-F63 HydrophobicContact CB-CG 4.16Å; K53-F63 HydrophobicContact CD-CB 4.46Å; K53-F63 HydrophobicContact CD-CD1 4.3Å; K53-F63 HydrophobicContact CD-CD2 4.05Å; K53-F63 HydrophobicContact CD-CE2 4.35Å; K53-F63 HydrophobicContact CD-CG 4.02Å; K53-F63 HydrophobicContact CG-CB 4.41Å; K53-F63 HydrophobicContact CG-CD2 4.33Å; K53-F63 HydrophobicContact CG-CG 4.38Å; K53-L64 CarbonylContact C-O 3.51Å; K53-L64 WeakPolarHBondContact CA-O 3.28Å; K53-N157 WeakPolarHBondContact CE-ND2 3.49Å; K53-N157 WeakPolarHBondContact CG-O 3.18Å; K53-N157 PolarHBondContact N-O 3.06Å; K53-N157 PolarHBondContact NZ-ND2 2.91Å; K53-T158 HydrophobicContact CG-CG2 4.09Å; K53-T158 CarbonylContact O-C 3.55Å; K53-T158 VanDerWaalsContact O-CA 3.27Å; K53-T158 WeakPolarHBondContact O-CA 3.32Å; K53-L159 PolarHBondContact O-N 2.98Å
54V96.4Very high96.1Very high5 Ų532.7 Ų32.73%0.0316%0.164CC..EExtended strand (participates in β ladder)trans-117.2111.4174.5177.20000108.4F63 L64 L159 S189 F191 M214V54-F63 CarbonylContact O-C 3.31Å; V54-F63 WeakPolarHBondContact O-CA 3.2Å; V54-F63 VanDerWaalsContact O-CB 3.27Å; V54-F63 WeakPolarHBondContact O-CB 3.45Å; V54-L64 HydrophobicContact CB-CB 4.33Å; V54-L64 PolarHBondContact N-O 3.28Å; V54-L64 PolarHBondContact O-N 2.87Å; V54-L159 HydrophobicContact CG2-CB 4.15Å; V54-L159 HydrophobicContact CG2-CD2 4.16Å; V54-S189 WeakPolarHBondContact CG2-OG 3.35Å; V54-F191 WeakPolarHBondContact CG2-O 3.25Å; V54-M214 HydrophobicContact CB-CE 4.5Å; V54-M214 HydrophobicContact CG1-CE 3.92Å
55P95.3Very high96Very high23 Ų2336 Ų3615%0.14918%0.181CC..EExtended strand (participates in β ladder)trans-56.7142172.5-26.136.5000112.5T60 T158 M198P55-T60 HydrophobicContact CB-CG2 3.84Å; P55-T60 WeakPolarHBondContact CB-OG1 3.48Å; P55-T60 HydrophobicContact CG-CG2 4.31Å; P55-T158 HydrophobicContact CG-CG2 4.15Å; P55-M198 HydrophobicContact CB-CE 4.12Å; P55-M198 HydrophobicContact CB-SD 4.03Å; P55-M198 WeakPolarHBondContact O-CE 3.41Å
56L95.1Very high95.7Very high14 Ų1438 Ų387%0.07319%0.192CC..SBendtrans-92.2-19.2169.8-55.2-173.6000112.3R62 I193 P199 I203 L212L56-R62 HydrophobicContact CB-CB 4.44Å; L56-R62 HydrophobicContact CD1-CB 3.91Å; L56-R62 HydrophobicContact CG-CB 4.32Å; L56-R62 PolarHBondContact N-O 2.86Å; L56-I193 HydrophobicContact CD2-CD1 3.9Å; L56-P199 WeakPolarHBondContact O-CD 3.37Å; L56-P199 WeakPolarHBondContact O-CG 3.46Å; L56-I203 HydrophobicContact CB-CD1 4.34Å; L56-L212 HydrophobicContact CD1-CD1 3.98Å; L56-L212 HydrophobicContact CD2-CD1 4.1Å
57E94.4Very high95.3Very high0 Ų046.7 Ų46.70%023%0.23CC..SBendtrans-137.8149.3-179.2-50.1103.1159.200110.3T60 V61 R62 P199 I203E57-T60 VanDerWaalsContact O-CA 3.29Å; E57-T60 WeakPolarHBondContact O-CA 3.36Å; E57-T60 PolarHBondContact O-N 2.95Å; E57-T60 PolarHBondContact O-OG1 3.44Å; E57-V61 PolarHBondContact OE2-N 3.4Å; E57-R62 IonicContact OE1-NH1 2.89Å; E57-R62 PolarHBondContact OE1-NH1 3.5Å; E57-R62 PolarHBondContact OE2-N 3.08Å; E57-P199 CarbonylContact C-O 3.55Å; E57-P199 VanDerWaalsContact CA-O 3.25Å; E57-P199 WeakPolarHBondContact CA-O 3.31Å; E57-P199 HydrophobicContact CG-CG 4.12Å; E57-I203 HydrophobicContact CG-CD1 4.15Å; E57-I203 HydrophobicContact CG-CG1 3.85Å; E57-I203 PolarHBondContact OE1-N 2.81Å; E57-I203 VanDerWaalsContact OE1-N 3.13Å
58S90.1Very high95Very high70 Ų7048.5 Ų48.549%0.4924%0.243SC..SBendtrans-69.3-39.9-178.379.10000111.5T60 M198 P199 E200S58-T60 VanDerWaalsContact C-N 3.29Å; S58-T60 PolarHBondContact O-N 3.14Å; S58-T60 VanDerWaalsContact O-N 3.17Å; S58-M198 PolarHBondContact N-SD 3.26Å; S58-M198 VanDerWaalsContact N-SD 3.42Å; S58-P199 PolarHBondContact N-O 3.05Å; S58-E200 VanDerWaalsContact OG-CA 3.3Å; S58-E200 WeakPolarHBondContact OG-CA 3.44Å; S58-E200 WeakPolarHBondContact OG-CG 3.33Å; S58-E200 PolarHBondContact OG-O 3.48Å
59R91.3Very high94.9Very high155 Ų15551.1 Ų51.159%0.58526%0.262SS*.SBendtrans-85.478.9161-57-171.4-168.1-163.41.2108.6V61 E200R59-V61 PolarHBondContact O-N 2.95Å; R59-E200 VanDerWaalsContact CB-O 3.25Å; R59-E200 WeakPolarHBondContact CB-O 3.49Å; R59-E200 HydrophobicContact CG-CG 4.36Å; R59-E200 WeakPolarHBondContact CG-O 3.3Å; R59-E200 IonicContact CZ-OE1 3.27Å; R59-E200 VanDerWaalsContact CZ-OE1 3.27Å; R59-E200 PolarHBondContact N-O 3.13Å; R59-E200 IonicContact NE-OE1 3.06Å; R59-E200 PolarHBondContact NE-OE1 2.86Å; R59-E200 IonicContact NH2-OE1 2.75Å; R59-E200 PolarHBondContact NH2-OE1 2.92Å
60T92.4Very high94.8Very high59 Ų5951.1 Ų51.136%0.36226%0.262SS..  trans-60.5119.6-165.5-49.70000112.9P55 E57 S58 R62 F63P55-T60 HydrophobicContact CB-CG2 3.84Å; P55-T60 WeakPolarHBondContact CB-OG1 3.48Å; P55-T60 HydrophobicContact CG-CG2 4.31Å; E57-T60 VanDerWaalsContact O-CA 3.29Å; E57-T60 WeakPolarHBondContact O-CA 3.36Å; E57-T60 PolarHBondContact O-N 2.95Å; E57-T60 PolarHBondContact O-OG1 3.44Å; S58-T60 VanDerWaalsContact C-N 3.29Å; S58-T60 PolarHBondContact O-N 3.14Å; S58-T60 VanDerWaalsContact O-N 3.17Å; T60-R62 WeakPolarHBondContact CG2-O 3.26Å; T60-F63 HydrophobicContact CG2-CD1 4.45Å
61V93.6Very high94.7Very high84 Ų8455.1 Ų55.151%0.50928%0.277SS..SBendtrans-112.1-34.9166.4178.10000110.1E57 R59 K202E57-V61 PolarHBondContact OE2-N 3.4Å; R59-V61 PolarHBondContact O-N 2.95Å; V61-K202 HydrophobicContact CB-CG 4.34Å; V61-K202 HydrophobicContact CG1-CD 4.32Å; V61-K202 HydrophobicContact CG1-CG 4.4Å; V61-K202 HydrophobicContact CG2-CB 4.11Å; V61-K202 HydrophobicContact CG2-CD 4.5Å; V61-K202 HydrophobicContact CG2-CG 4.32Å
62R94.9Very high94.7Very high76 Ų7656.8 Ų56.829%0.28728%0.282SS..  trans-122.3152.4-179.8-54.8-176.5-169.6101.6-13110.8L56 E57 T60 I203L56-R62 HydrophobicContact CB-CB 4.44Å; L56-R62 HydrophobicContact CD1-CB 3.91Å; L56-R62 HydrophobicContact CG-CB 4.32Å; L56-R62 PolarHBondContact N-O 2.86Å; E57-R62 IonicContact OE1-NH1 2.89Å; E57-R62 PolarHBondContact OE1-NH1 3.5Å; E57-R62 PolarHBondContact OE2-N 3.08Å; T60-R62 WeakPolarHBondContact CG2-O 3.26Å; R62-I203 PolarHBondContact NH1-O 2.85Å; R62-I203 PolarHBondContact NH2-O 2.85Å
63F96.2Very high94.7Very high93 Ų9356.9 Ų56.941%0.40828%0.283SS..EExtended strand (participates in β ladder)trans-152152.9177.953.1-91.8000110.9K53 V54 T60 D65K53-F63 HydrophobicContact CB-CB 4.24Å; K53-F63 HydrophobicContact CB-CD2 3.69Å; K53-F63 HydrophobicContact CB-CE2 4.35Å; K53-F63 HydrophobicContact CB-CG 4.16Å; K53-F63 HydrophobicContact CD-CB 4.46Å; K53-F63 HydrophobicContact CD-CD1 4.3Å; K53-F63 HydrophobicContact CD-CD2 4.05Å; K53-F63 HydrophobicContact CD-CE2 4.35Å; K53-F63 HydrophobicContact CD-CG 4.02Å; K53-F63 HydrophobicContact CG-CB 4.41Å; K53-F63 HydrophobicContact CG-CD2 4.33Å; K53-F63 HydrophobicContact CG-CG 4.38Å; V54-F63 CarbonylContact O-C 3.31Å; V54-F63 WeakPolarHBondContact O-CA 3.2Å; V54-F63 VanDerWaalsContact O-CB 3.27Å; V54-F63 WeakPolarHBondContact O-CB 3.45Å; T60-F63 HydrophobicContact CG2-CD1 4.45Å; F63-D65 HydrophobicContact CD2-CB 4Å; F63-D65 HydrophobicContact CE2-CB 3.97Å
64L96.3Very high94.8Very high73 Ų7355.4 Ų55.438%0.38228%0.277SS..EExtended strand (participates in β ladder)trans-83.7133162.9-179.868.4000108.1K53 V54 M214K53-L64 CarbonylContact C-O 3.51Å; K53-L64 WeakPolarHBondContact CA-O 3.28Å; V54-L64 HydrophobicContact CB-CB 4.33Å; V54-L64 PolarHBondContact N-O 3.28Å; V54-L64 PolarHBondContact O-N 2.87Å; L64-M214 HydrophobicContact CD2-CE 3.77Å; L64-M214 HydrophobicContact CD2-SD 4.06Å
65D96.1Very high94.9Very high69 Ų6955.1 Ų55.137%0.36928%0.275SS..EExtended strand (participates in β ladder)trans-123.2135.2178.6-151.8-23.7000110.5F63 R92F63-D65 HydrophobicContact CD2-CB 4Å; F63-D65 HydrophobicContact CE2-CB 3.97Å; D65-R92 IonicContact OD1-CZ 3.5Å; D65-R92 IonicContact OD1-NH1 2.75Å; D65-R92 PolarHBondContact OD1-NH1 3.42Å; D65-R92 IonicContact OD2-CZ 3.49Å; D65-R92 IonicContact OD2-NH1 3.7Å; D65-R92 PolarHBondContact OD2-NH1 2.83Å; D65-R92 IonicContact OD2-NH2 2.73Å; D65-R92 PolarHBondContact OD2-NH2 3.38Å
66N93.7Very high95.1Very high43 Ų4354 Ų5423%0.2327%0.268CS..  trans-88.1116.6172.7-8737.8000109.4G51 T52 S68 A187 V188G51-N66 WeakPolarHBondContact CA-O 3.5Å; T52-N66 PolarHBondContact O-N 3.25Å; T52-N66 VanDerWaalsContact O-N 3.16Å; N66-S68 PolarHBondContact O-N 3.33Å; N66-S68 VanDerWaalsContact O-N 3.09Å; N66-A187 HydrophobicContact CB-CB 3.99Å; N66-A187 WeakPolarHBondContact CB-O 3.43Å; N66-V188 PolarHBondContact ND2-O 3.15Å; N66-V188 VanDerWaalsContact ND2-O 3.1Å
67F89.9Confident95.3Very high182 Ų18253.4 Ų53.480%0.79826%0.264SS*.  trans-61.4116-175.8178.6-99.8000112.5
68S93.4Very high95.5Very high38 Ų3854 Ų5427%0.26627%0.267SS..  trans-160.4120.8165.4173.70000109.8N66 G70N66-S68 PolarHBondContact O-N 3.33Å; N66-S68 VanDerWaalsContact O-N 3.09Å; S68-G70 PolarHBondContact O-N 3.15Å; S68-G70 PolarHBondContact OG-N 2.82Å
69S95.4Very high95.9Very high56 Ų5652.1 Ų52.139%0.39225%0.25SC..  trans-70.4-13.1176.662.40000113.5R71 L96S69-R71 VanDerWaalsContact C-N 3.32Å; S69-R71 PolarHBondContact OG-N 2.94Å; S69-L96 WeakPolarHBondContact O-CB 3.5Å; S69-L96 VanDerWaalsContact O-CG 3.24Å; S69-L96 WeakPolarHBondContact O-CG 3.21Å; S69-L96 PolarHBondContact O-N 2.89Å
70G97.2Very high96.3Very high1 Ų144.8 Ų44.81%0.0122%0.222CC..SBendtrans80.85.5-173.300000114.8S49 S68 R72 G73 A74S49-G70 WeakPolarHBondContact OG-CA 3.25Å; S49-G70 PolarHBondContact OG-O 2.88Å; S68-G70 PolarHBondContact O-N 3.15Å; S68-G70 PolarHBondContact OG-N 2.82Å; G70-R72 PolarHBondContact O-N 2.86Å; G70-G73 PolarHBondContact O-N 3.09Å; G70-A74 WeakPolarHBondContact O-CB 3.38Å; G70-A74 PolarHBondContact O-N 2.81Å
71R96.5Very high96.6Very high84 Ų8442.2 Ų42.232%0.31721%0.206SC..Hα-helixtrans-54.3-51.2-177.2-178.1173.2-68.2-85.4-5.2112.9S69 A74 S75 L96S69-R71 VanDerWaalsContact C-N 3.32Å; S69-R71 PolarHBondContact OG-N 2.94Å; R71-A74 PolarHBondContact O-N 2.94Å; R71-S75 WeakPolarHBondContact O-CB 3.41Å; R71-S75 PolarHBondContact O-N 2.74Å; R71-L96 HydrophobicContact CB-CD1 3.6Å; R71-L96 HydrophobicContact CG-CD1 4.29Å
72R96.6Very high96.8Very high37 Ų3743.3 Ų43.314%0.1421%0.206CC..Hα-helixtrans-59.4-50.6-177.8179.8174.5-52.6-78.715.8111G70 S76 R270 E299G70-R72 PolarHBondContact O-N 2.86Å; R72-S76 VanDerWaalsContact O-CB 3.24Å; R72-S76 WeakPolarHBondContact O-CB 3.15Å; R72-S76 PolarHBondContact O-N 3.38Å; R72-S76 PolarHBondContact O-OG 3.08Å; R72-R270 PolarHBondContact NH2-O 2.97Å; R72-E299 HydrophobicContact CG-CG 4.2Å; R72-E299 WeakPolarHBondContact CG-OE1 3.3Å; R72-E299 IonicContact CZ-OE1 2.91Å; R72-E299 IonicContact NH1-OE1 3.57Å; R72-E299 PolarHBondContact NH1-OE1 3.28Å
73G98.3Very high96.9Very high1 Ų141.8 Ų41.81%0.0121%0.207CC..Hα-helixtrans-62.6-44.7179.900000112.2S49 G70 S76 A77 F89S49-G73 WeakPolarHBondContact OG-CA 3.26Å; G70-G73 PolarHBondContact O-N 3.09Å; G73-S76 PolarHBondContact O-N 3.46Å; G73-A77 PolarHBondContact O-N 2.76Å; G73-F89 WeakPolarHBondContact O-CE2 3.27Å
74A98.6Very high97Very high0 Ų038.5 Ų38.50%020%0.199CC..Hα-helixtrans-63.2-46.3179.800000112.5G70 R71 A77 F89 L96 R101G70-A74 WeakPolarHBondContact O-CB 3.38Å; G70-A74 PolarHBondContact O-N 2.81Å; R71-A74 PolarHBondContact O-N 2.94Å; A74-A77 WeakPolarHBondContact O-CB 3.45Å; A74-A77 PolarHBondContact O-N 3.28Å; A74-F89 HydrophobicContact CB-CZ 4.09Å; A74-L96 HydrophobicContact CB-CB 4.2Å; A74-L96 WeakPolarHBondContact CB-O 3.39Å; A74-R101 HydrophobicContact CB-CB 4.39Å
75S98.3Very high97.2Very high0 Ų035 Ų350%018%0.181CC..Hα-helixtrans-64.1-43.9175171.40000111.5R71 A77 E78 Y79 E297 E299R71-S75 WeakPolarHBondContact O-CB 3.41Å; R71-S75 PolarHBondContact O-N 2.74Å; S75-A77 VanDerWaalsContact C-N 3.27Å; S75-A77 PolarHBondContact O-N 2.79Å; S75-E78 WeakPolarHBondContact O-CB 3.4Å; S75-E78 PolarHBondContact O-N 3.34Å; S75-E78 VanDerWaalsContact O-N 3.11Å; S75-Y79 VanDerWaalsContact O-CD2 3.23Å; S75-Y79 WeakPolarHBondContact O-CD2 3.41Å; S75-Y79 PolarHBondContact O-N 3.06Å; S75-Y79 WeakPolarHBondContact OG-CE2 3.32Å; S75-E297 PolarHBondContact OG-OE2 3.25Å; S75-E299 WeakPolarHBondContact OG-CB 3.44Å
76S98.8Very high97.3Very high0 Ų031.8 Ų31.80%016%0.163CC..Hα-helixtrans-60.7-36.1177.8-58.30000112.3R72 G73 E78 Y79 F80 Y183 E299R72-S76 VanDerWaalsContact O-CB 3.24Å; R72-S76 WeakPolarHBondContact O-CB 3.15Å; R72-S76 PolarHBondContact O-N 3.38Å; R72-S76 PolarHBondContact O-OG 3.08Å; G73-S76 PolarHBondContact O-N 3.46Å; S76-E78 VanDerWaalsContact C-N 3.3Å; S76-E78 PolarHBondContact O-N 3.07Å; S76-Y79 PolarHBondContact O-N 3.46Å; S76-F80 WeakPolarHBondContact O-CB 3.41Å; S76-F80 WeakPolarHBondContact O-CD2 3.41Å; S76-F80 PolarHBondContact O-N 3.47Å; S76-Y183 WeakPolarHBondContact OG-CE1 3.24Å; S76-Y183 VanDerWaalsContact OG-CZ 3.31Å; S76-Y183 PolarHBondContact OG-OH 3.01Å; S76-E299 WeakPolarHBondContact OG-CG 3.14Å
77A98.9Very high97.5Very high0 Ų029.7 Ų29.70%015%0.152CC..Hα-helixtrans-59.5-41.4176.600000112.2I47 G73 A74 S75 F80 I81 V87 F89 P98I47-A77 HydrophobicContact CD1-CB 3.72Å; G73-A77 PolarHBondContact O-N 2.76Å; A74-A77 WeakPolarHBondContact O-CB 3.45Å; A74-A77 PolarHBondContact O-N 3.28Å; S75-A77 VanDerWaalsContact C-N 3.27Å; S75-A77 PolarHBondContact O-N 2.79Å; A77-F80 PolarHBondContact O-N 2.94Å; A77-I81 VanDerWaalsContact O-CG1 3.25Å; A77-I81 WeakPolarHBondContact O-CG1 3.35Å; A77-I81 PolarHBondContact O-N 3.25Å; A77-V87 HydrophobicContact CB-CG1 4.07Å; A77-F89 HydrophobicContact CB-CD2 4.08Å; A77-F89 HydrophobicContact CB-CE2 4.28Å; A77-P98 HydrophobicContact CB-CB 4.22Å; A77-P98 HydrophobicContact CB-CG 3.63Å
78E98.7Very high98Very high13 Ų1321 Ų216%0.06111%0.114CC..Hα-helixtrans-61.9-51.5177.7-61.1162.4-155.300110.3S75 S76 F80 I81 E82 P98 Y99 R101S75-E78 WeakPolarHBondContact O-CB 3.4Å; S75-E78 PolarHBondContact O-N 3.34Å; S75-E78 VanDerWaalsContact O-N 3.11Å; S76-E78 VanDerWaalsContact C-N 3.3Å; S76-E78 PolarHBondContact O-N 3.07Å; E78-F80 VanDerWaalsContact C-N 3.35Å; E78-F80 PolarHBondContact O-N 3.06Å; E78-I81 WeakPolarHBondContact O-CB 3.42Å; E78-I81 PolarHBondContact O-N 3.12Å; E78-E82 WeakPolarHBondContact O-CG 3.4Å; E78-E82 PolarHBondContact O-N 3.12Å; E78-P98 HydrophobicContact CG-CB 4.09Å; E78-P98 WeakPolarHBondContact OE1-CA 3.3Å; E78-Y99 HydrophobicContact CB-CE1 4.23Å; E78-Y99 HydrophobicContact CG-CD1 4.03Å; E78-Y99 HydrophobicContact CG-CE1 3.73Å; E78-Y99 HydrophobicContact CG-CE2 4.26Å; E78-Y99 HydrophobicContact CG-CG 4.4Å; E78-Y99 PolarHBondContact OE1-N 3.19Å; E78-R101 VanDerWaalsContact CD-NE 3.34Å; E78-R101 WeakPolarHBondContact OE1-CD 3.47Å; E78-R101 IonicContact OE1-CZ 2.65Å; E78-R101 IonicContact OE1-NE 3.47Å; E78-R101 PolarHBondContact OE1-NE 2.9Å; E78-R101 IonicContact OE1-NH2 3.52Å; E78-R101 IonicContact OE2-CZ 2.6Å; E78-R101 IonicContact OE2-NE 2.72Å; E78-R101 PolarHBondContact OE2-NE 3.46Å; E78-R101 IonicContact OE2-NH2 3.49Å; E78-R101 PolarHBondContact OE2-NH2 3.01Å
79Y98.8Very high98.2Very high31 Ų3119.2 Ų19.212%0.12210%0.102CC..Hα-helixtrans-65.8-33.1179-67.6-65.6000113.4S75 S76 E82 S83 E297 E299 E300S75-Y79 VanDerWaalsContact O-CD2 3.23Å; S75-Y79 WeakPolarHBondContact O-CD2 3.41Å; S75-Y79 PolarHBondContact O-N 3.06Å; S75-Y79 WeakPolarHBondContact OG-CE2 3.32Å; S76-Y79 PolarHBondContact O-N 3.46Å; Y79-E82 WeakPolarHBondContact CD1-OE2 3.49Å; Y79-E82 PolarHBondContact O-N 3.44Å; Y79-S83 WeakPolarHBondContact O-CB 3.35Å; Y79-S83 PolarHBondContact O-N 2.82Å; Y79-S83 PolarHBondContact O-OG 3.4Å; Y79-E297 HydrophobicContact CE2-CB 4.07Å; Y79-E297 WeakPolarHBondContact CE2-OE2 3.28Å; Y79-E297 PolarHBondContact OH-OE2 2.68Å; Y79-E299 HydrophobicContact CD2-CB 3.7Å; Y79-E299 HydrophobicContact CE2-CB 3.87Å; Y79-E300 HydrophobicContact CD1-CB 3.87Å; Y79-E300 HydrophobicContact CD1-CG 3.9Å; Y79-E300 HydrophobicContact CD2-CB 4.45Å; Y79-E300 HydrophobicContact CE1-CB 3.6Å; Y79-E300 HydrophobicContact CE1-CG 3.77Å; Y79-E300 HydrophobicContact CE2-CB 4.22Å; Y79-E300 HydrophobicContact CG-CB 4.3Å
80F98.9Very high98.4Very high0 Ų016.6 Ų16.60%08%0.083CC..Hα-helixtrans-66.7-41.4174.6-88.9-62.9000111.4V45 I47 S76 A77 E78 E82 S83 G84 Y85 V87 M181 Y183 V303 L306V45-F80 HydrophobicContact CG1-CB 3.97Å; V45-F80 HydrophobicContact CG1-CD1 4.15Å; V45-F80 HydrophobicContact CG1-CD2 4.22Å; V45-F80 HydrophobicContact CG1-CG 3.87Å; V45-F80 HydrophobicContact CG2-CE2 4.36Å; V45-F80 HydrophobicContact CG2-CZ 4.38Å; I47-F80 HydrophobicContact CD1-CD2 3.65Å; I47-F80 HydrophobicContact CD1-CE2 4.29Å; I47-F80 HydrophobicContact CG1-CD2 4.34Å; S76-F80 WeakPolarHBondContact O-CB 3.41Å; S76-F80 WeakPolarHBondContact O-CD2 3.41Å; S76-F80 PolarHBondContact O-N 3.47Å; A77-F80 PolarHBondContact O-N 2.94Å; E78-F80 VanDerWaalsContact C-N 3.35Å; E78-F80 PolarHBondContact O-N 3.06Å; F80-E82 VanDerWaalsContact C-N 3.34Å; F80-S83 CarbonylContact O-C 3.6Å; F80-S83 PolarHBondContact O-N 3.16Å; F80-G84 PolarHBondContact O-N 3.12Å; F80-Y85 HydrophobicContact CD1-CD1 4.48Å; F80-Y85 AromaticContact CD1-CD2 3.84Å; F80-Y85 HydrophobicContact CD1-CD2 3.84Å; F80-Y85 HydrophobicContact CD1-CE2 4.04Å; F80-Y85 HydrophobicContact CD1-CG 4.08Å; F80-Y85 HydrophobicContact CE1-CE2 4.44Å; F80-Y85 WeakPolarHBondContact O-CB 3.17Å; F80-Y85 PolarHBondContact O-N 3.04Å; F80-V87 HydrophobicContact CB-CG2 4.02Å; F80-M181 HydrophobicContact CE1-CE 4.38Å; F80-M181 HydrophobicContact CE1-SD 3.59Å; F80-M181 VanDerWaalsContact CE1-SD 3.59Å; F80-M181 HydrophobicContact CZ-SD 3.58Å; F80-M181 VanDerWaalsContact CZ-SD 3.58Å; F80-Y183 HydrophobicContact CE2-CD1 4.44Å; F80-Y183 AromaticContact CE2-CD2 3.73Å; F80-Y183 HydrophobicContact CE2-CD2 3.73Å; F80-Y183 HydrophobicContact CE2-CE2 4.06Å; F80-Y183 AromaticContact CE2-CG 3.92Å; F80-Y183 HydrophobicContact CE2-CG 3.92Å; F80-Y183 AromaticContact CZ-CD2 3.94Å; F80-Y183 HydrophobicContact CZ-CD2 3.94Å; F80-Y183 HydrophobicContact CZ-CE2 4.41Å; F80-Y183 HydrophobicContact CZ-CG 4.43Å; F80-V303 HydrophobicContact CB-CG1 4.48Å; F80-V303 HydrophobicContact CD1-CG1 3.66Å; F80-V303 HydrophobicContact CD1-CG2 4.49Å; F80-V303 HydrophobicContact CD2-CG1 4.35Å; F80-V303 HydrophobicContact CD2-CG2 3.76Å; F80-V303 HydrophobicContact CE1-CG1 3.88Å; F80-V303 HydrophobicContact CE1-CG2 4.44Å; F80-V303 HydrophobicContact CE2-CG2 3.71Å; F80-V303 HydrophobicContact CG-CG1 3.9Å; F80-V303 HydrophobicContact CG-CG2 4.16Å; F80-V303 HydrophobicContact CZ-CG1 4.32Å; F80-V303 HydrophobicContact CZ-CG2 4.06Å; F80-L306 HydrophobicContact CZ-CD1 4.48Å
81I98.8Very high98.5Very high5 Ų516.8 Ų16.83%0.0268%0.084CC..Hα-helixtrans-62.4-43.4174.8-70.9167.7000110.3A77 E78 S83 G84 V87 V145 L150 L151A77-I81 VanDerWaalsContact O-CG1 3.25Å; A77-I81 WeakPolarHBondContact O-CG1 3.35Å; A77-I81 PolarHBondContact O-N 3.25Å; E78-I81 WeakPolarHBondContact O-CB 3.42Å; E78-I81 PolarHBondContact O-N 3.12Å; I81-S83 VanDerWaalsContact C-N 3.27Å; I81-S83 PolarHBondContact O-N 3.11Å; I81-G84 PolarHBondContact O-N 3.45Å; I81-V87 HydrophobicContact CD1-CB 4.45Å; I81-V87 HydrophobicContact CD1-CG2 4.14Å; I81-V87 HydrophobicContact CG1-CB 4.3Å; I81-V87 HydrophobicContact CG1-CG2 3.56Å; I81-V145 HydrophobicContact CD1-CG1 3.95Å; I81-V145 HydrophobicContact CD1-CG2 4.38Å; I81-V145 HydrophobicContact CG2-CG2 3.74Å; I81-L150 HydrophobicContact CG2-CB 4.4Å; I81-L150 HydrophobicContact CG2-CD1 3.98Å; I81-L151 HydrophobicContact CD1-CB 4.28Å; I81-L151 HydrophobicContact CD1-CD1 4.48Å
82E98.1Very high98.6Very high108 Ų10814.1 Ų14.151%0.5057%0.074SC..Hα-helixtrans-61.8-35.6174.2-71.1172.7-177.500112.4E78 Y79 F80 G84E78-E82 WeakPolarHBondContact O-CG 3.4Å; E78-E82 PolarHBondContact O-N 3.12Å; Y79-E82 WeakPolarHBondContact CD1-OE2 3.49Å; Y79-E82 PolarHBondContact O-N 3.44Å; F80-E82 VanDerWaalsContact C-N 3.34Å; E82-G84 PolarHBondContact O-N 2.83Å; E82-G84 VanDerWaalsContact O-N 3.17Å
83S98.4Very high98.6Very high44 Ų4415.7 Ų15.731%0.3088%0.082SC..THydrogen-bonded Turntrans-76.58.2173.4-58.80000113.8R43 Y79 F80 I81R43-S83 PolarHBondContact NH2-O 2.75Å; Y79-S83 WeakPolarHBondContact O-CB 3.35Å; Y79-S83 PolarHBondContact O-N 2.82Å; Y79-S83 PolarHBondContact O-OG 3.4Å; F80-S83 CarbonylContact O-C 3.6Å; F80-S83 PolarHBondContact O-N 3.16Å; I81-S83 VanDerWaalsContact C-N 3.27Å; I81-S83 PolarHBondContact O-N 3.11Å
84G98.3Very high98.4Very high24 Ų2426.3 Ų26.325%0.24712%0.122CC..THydrogen-bonded Turntrans84.615.4173.600000115.3R42 F80 I81 E82R42-G84 VanDerWaalsContact CG-O 3.26Å; R42-G84 WeakPolarHBondContact CG-O 3.47Å; R42-G84 PolarHBondContact NH1-O 2.91Å; F80-G84 PolarHBondContact O-N 3.12Å; I81-G84 PolarHBondContact O-N 3.45Å; E82-G84 PolarHBondContact O-N 2.83Å; E82-G84 VanDerWaalsContact O-N 3.17Å
85Y98.9Very high98.3Very high0 Ų027.3 Ų27.30%013%0.129CC..  trans-81.7158.5172.2-72.8-108.4000111.8R43 V45 F80 T307 H310R43-Y85 HydrophobicContact CB-CD1 3.54Å; R43-Y85 HydrophobicContact CB-CE1 3.44Å; R43-Y85 VanDerWaalsContact CB-CE1 3.44Å; R43-Y85 HydrophobicContact CB-CG 4.25Å; R43-Y85 HydrophobicContact CG-CE1 4.32Å; R43-Y85 PolarHBondContact NH1-OH 2.94Å; R43-Y85 WeakPolarHBondContact O-CA 3.43Å; V45-Y85 HydrophobicContact CB-CD1 3.91Å; V45-Y85 HydrophobicContact CB-CE1 4.45Å; V45-Y85 HydrophobicContact CG1-CD1 4.02Å; V45-Y85 HydrophobicContact CG1-CG 4.25Å; F80-Y85 HydrophobicContact CD1-CD1 4.48Å; F80-Y85 AromaticContact CD1-CD2 3.84Å; F80-Y85 HydrophobicContact CD1-CD2 3.84Å; F80-Y85 HydrophobicContact CD1-CE2 4.04Å; F80-Y85 HydrophobicContact CD1-CG 4.08Å; F80-Y85 HydrophobicContact CE1-CE2 4.44Å; F80-Y85 WeakPolarHBondContact O-CB 3.17Å; F80-Y85 PolarHBondContact O-N 3.04Å; Y85-T307 HydrophobicContact CE2-CG2 4.03Å; Y85-H310 AromaticContact CE1-CE1 3.94Å; Y85-H310 AromaticContact CE1-ND1 3.56Å; Y85-H310 AromaticContact CZ-ND1 3.6Å; Y85-H310 PolarHBondContact OH-ND1 3.24Å
86A98.9Very high98.3Very high0 Ų028.2 Ų28.20%013%0.134CC..EExtended strand (participates in β ladder)trans-95.8143152.400000109.1F33 H37 R42 R43 V44 V45 L150F33-A86 HydrophobicContact CE1-CB 3.72Å; F33-A86 HydrophobicContact CZ-CB 3.71Å; H37-A86 HydrophobicContact CB-CB 4.1Å; H37-A86 WeakPolarHBondContact CD2-CB 3.36Å; H37-A86 VanDerWaalsContact CG-CB 3.46Å; H37-A86 WeakPolarHBondContact NE2-CB 3.43Å; R42-A86 HydrophobicContact CG-CB 4.44Å; R43-A86 PolarHBondContact O-N 2.97Å; V44-A86 CarbonylContact C-O 3.57Å; V44-A86 VanDerWaalsContact CA-O 3.32Å; V44-A86 WeakPolarHBondContact CA-O 3.34Å; V44-A86 HydrophobicContact CG2-CB 4.43Å; V45-A86 PolarHBondContact N-O 2.9Å; A86-L150 CarbonylContact C-O 3.51Å; A86-L150 WeakPolarHBondContact CA-O 3.39Å
87V98.9Very high98.3Very high0 Ų030.5 Ų30.50%014%0.143CC..EExtended strand (participates in β ladder)trans-116.9127.1-171.2177.30000110.4V45 I47 A77 F80 I81 F89 L150 L151 L152V45-V87 HydrophobicContact CG1-CB 4.38Å; V45-V87 HydrophobicContact CG1-CG2 3.7Å; V45-V87 WeakPolarHBondContact O-CA 3.46Å; I47-V87 HydrophobicContact CB-CG1 4.47Å; I47-V87 HydrophobicContact CD1-CG1 3.71Å; I47-V87 HydrophobicContact CD1-CG2 4.41Å; I47-V87 HydrophobicContact CG1-CG1 4.17Å; A77-V87 HydrophobicContact CB-CG1 4.07Å; F80-V87 HydrophobicContact CB-CG2 4.02Å; I81-V87 HydrophobicContact CD1-CB 4.45Å; I81-V87 HydrophobicContact CD1-CG2 4.14Å; I81-V87 HydrophobicContact CG1-CB 4.3Å; I81-V87 HydrophobicContact CG1-CG2 3.56Å; V87-F89 HydrophobicContact CG1-CB 4.21Å; V87-L150 PolarHBondContact N-O 2.91Å; V87-L151 HydrophobicContact CB-CD1 3.9Å; V87-L151 HydrophobicContact CG1-CD1 3.8Å; V87-L151 CarbonylContact O-C 3.6Å; V87-L151 WeakPolarHBondContact O-CA 3.34Å; V87-L152 PolarHBondContact O-N 3.27Å
88I98.9Very high98.3Very high0 Ų030.5 Ų30.50%014%0.143CC..EExtended strand (participates in β ladder)trans-95.2117.9159-55.4-177.4000106.8M30 F33 V44 V45 L46 I47 L152 I154 L173M30-I88 HydrophobicContact CB-CD1 3.96Å; M30-I88 HydrophobicContact CG-CD1 3.98Å; M30-I88 HydrophobicContact CG-CG2 4.15Å; M30-I88 HydrophobicContact SD-CD1 4.49Å; M30-I88 HydrophobicContact SD-CG2 4.04Å; F33-I88 HydrophobicContact CD1-CD1 4.04Å; F33-I88 HydrophobicContact CD1-CG1 3.68Å; F33-I88 HydrophobicContact CE1-CG1 3.76Å; V44-I88 HydrophobicContact CG1-CD1 4.32Å; V44-I88 HydrophobicContact CG1-CG1 4.17Å; V45-I88 PolarHBondContact O-N 3.44Å; L46-I88 WeakPolarHBondContact CA-O 3.13Å; L46-I88 HydrophobicContact CD1-CB 3.69Å; L46-I88 HydrophobicContact CD1-CG2 3.44Å; L46-I88 VanDerWaalsContact CD1-CG2 3.44Å; I47-I88 PolarHBondContact N-O 3.46Å; I88-L152 CarbonylContact C-O 3.45Å; I88-L152 WeakPolarHBondContact CA-O 3.36Å; I88-L152 HydrophobicContact CD1-CD2 4.42Å; I88-L152 HydrophobicContact CG1-CB 4.39Å; I88-L152 HydrophobicContact CG1-CD2 4.28Å; I88-L152 HydrophobicContact CG2-CD2 4.43Å; I88-I154 HydrophobicContact CG2-CG1 4.24Å; I88-L173 HydrophobicContact CD1-CD1 3.56Å
89F98.9Very high98.2Very high0 Ų030.3 Ų30.30%014%0.142CC..EExtended strand (participates in β ladder)trans-106.386.8-174.8-168.3-113.2000110.1I47 G73 A74 A77 V87 H91 Y97 P98 L151 L152 I154I47-F89 HydrophobicContact CB-CD2 4.04Å; I47-F89 HydrophobicContact CG2-CD2 3.81Å; I47-F89 HydrophobicContact CG2-CE2 3.79Å; G73-F89 WeakPolarHBondContact O-CE2 3.27Å; A74-F89 HydrophobicContact CB-CZ 4.09Å; A77-F89 HydrophobicContact CB-CD2 4.08Å; A77-F89 HydrophobicContact CB-CE2 4.28Å; V87-F89 HydrophobicContact CG1-CB 4.21Å; F89-H91 HydrophobicContact CD1-CB 3.65Å; F89-H91 AromaticContact CD1-CG 3.51Å; F89-H91 AromaticContact CD1-ND1 3.55Å; F89-H91 HydrophobicContact CE1-CB 3.32Å; F89-H91 AromaticContact CE1-CD2 3.74Å; F89-H91 AromaticContact CE1-CG 3.37Å; F89-H91 AromaticContact CE1-ND1 3.92Å; F89-H91 HydrophobicContact CG-CB 4.43Å; F89-H91 HydrophobicContact CZ-CB 3.87Å; F89-H91 PolarHBondContact O-N 3.01Å; F89-H91 PolarHBondContact O-ND1 2.83Å; F89-Y97 HydrophobicContact CD1-CD2 4.39Å; F89-Y97 HydrophobicContact CE1-CD2 4.4Å; F89-P98 HydrophobicContact CD1-CG 4.15Å; F89-P98 HydrophobicContact CD2-CG 4.29Å; F89-P98 VanDerWaalsContact CE1-CD 3.44Å; F89-P98 HydrophobicContact CE1-CG 4.09Å; F89-P98 HydrophobicContact CE2-CG 4.24Å; F89-P98 HydrophobicContact CG-CG 4.26Å; F89-P98 HydrophobicContact CZ-CG 4.13Å; F89-L151 HydrophobicContact CB-CD1 3.74Å; F89-L152 PolarHBondContact N-O 3.17Å; F89-I154 PolarHBondContact O-N 3.32Å; F89-I154 VanDerWaalsContact O-O 3.04Å
90L98.8Very high98Very high1 Ų132.3 Ų32.31%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-80.4104175.817960.3000108.6L46 I47 T48 S49 I154 F156 Y162 L165 L166L46-L90 HydrophobicContact CD1-CB 4.01Å; I47-L90 PolarHBondContact O-N 3.37Å; T48-L90 CarbonylContact C-O 3.57Å; T48-L90 WeakPolarHBondContact CA-O 3.38Å; T48-L90 HydrophobicContact CG2-CD2 4.23Å; S49-L90 PolarHBondContact N-O 2.86Å; L90-I154 CarbonylContact C-O 3.58Å; L90-I154 VanDerWaalsContact CA-O 3.3Å; L90-I154 WeakPolarHBondContact CA-O 3.34Å; L90-I154 HydrophobicContact CD1-CB 4.05Å; L90-I154 HydrophobicContact CD1-CG2 3.67Å; L90-F156 HydrophobicContact CD1-CB 4.46Å; L90-F156 HydrophobicContact CD1-CD1 3.76Å; L90-F156 HydrophobicContact CG-CD1 3.8Å; L90-F156 HydrophobicContact CG-CE1 4.18Å; L90-Y162 HydrophobicContact CD2-CD2 4.46Å; L90-L165 HydrophobicContact CD1-CB 3.89Å; L90-L165 HydrophobicContact CD1-CD1 3.99Å; L90-L165 HydrophobicContact CD2-CB 4.21Å; L90-L166 HydrophobicContact CD2-CB 4.37Å
91H98.8Very high97.8Very high5 Ų532.7 Ų32.72%0.02316%0.159CC..EExtended strand (participates in β ladder)trans-136.3153.5-167.673.6-63.4000113.9S49 F89 H93 Y97 I154 E155 F156S49-H91 CarbonylContact O-C 3.56Å; S49-H91 VanDerWaalsContact O-CA 3.28Å; S49-H91 WeakPolarHBondContact O-CA 3.25Å; F89-H91 HydrophobicContact CD1-CB 3.65Å; F89-H91 AromaticContact CD1-CG 3.51Å; F89-H91 AromaticContact CD1-ND1 3.55Å; F89-H91 HydrophobicContact CE1-CB 3.32Å; F89-H91 AromaticContact CE1-CD2 3.74Å; F89-H91 AromaticContact CE1-CG 3.37Å; F89-H91 AromaticContact CE1-ND1 3.92Å; F89-H91 HydrophobicContact CG-CB 4.43Å; F89-H91 HydrophobicContact CZ-CB 3.87Å; F89-H91 PolarHBondContact O-N 3.01Å; F89-H91 PolarHBondContact O-ND1 2.83Å; H91-H93 PolarHBondContact O-N 2.92Å; H91-Y97 AromaticContact NE2-CD2 3.79Å; H91-I154 PolarHBondContact N-O 2.86Å; H91-I154 PolarHBondContact ND1-O 2.93Å; H91-I154 VanDerWaalsContact ND1-O 3.13Å; H91-E155 CarbonylContact O-C 3.57Å; H91-E155 VanDerWaalsContact O-CA 3.31Å; H91-E155 WeakPolarHBondContact O-CA 3.4Å; H91-F156 VanDerWaalsContact C-CD1 3.42Å; H91-F156 WeakPolarHBondContact O-CD1 3.44Å; H91-F156 PolarHBondContact O-N 2.94Å
92R98.3Very high97.5Very high28 Ų2836 Ų3611%0.10618%0.177CC..EExtended strand (participates in β ladder)trans-63.3128.3175175.858.6175.5-75.6-8.2109.7S49 G51 D65 R94 S95 F156 N157S49-R92 PolarHBondContact O-N 2.99Å; G51-R92 WeakPolarHBondContact O-CB 3.28Å; G51-R92 VanDerWaalsContact O-CD 3.23Å; G51-R92 WeakPolarHBondContact O-CD 3.42Å; G51-R92 VanDerWaalsContact O-CG 3.28Å; G51-R92 WeakPolarHBondContact O-CG 3.32Å; G51-R92 PolarHBondContact O-NH1 3.46Å; D65-R92 IonicContact OD1-CZ 3.5Å; D65-R92 IonicContact OD1-NH1 2.75Å; D65-R92 PolarHBondContact OD1-NH1 3.42Å; D65-R92 IonicContact OD2-CZ 3.49Å; D65-R92 IonicContact OD2-NH1 3.7Å; D65-R92 PolarHBondContact OD2-NH1 2.83Å; D65-R92 IonicContact OD2-NH2 2.73Å; D65-R92 PolarHBondContact OD2-NH2 3.38Å; R92-R94 PolarHBondContact O-N 3.41Å; R92-S95 VanDerWaalsContact O-CB 3.23Å; R92-S95 WeakPolarHBondContact O-CB 3.37Å; R92-S95 PolarHBondContact O-N 2.63Å; R92-S95 PolarHBondContact O-OG 2.89Å; R92-F156 CarbonylContact C-O 3.59Å; R92-F156 VanDerWaalsContact CA-O 3.26Å; R92-F156 WeakPolarHBondContact CA-O 3.37Å; R92-F156 HydrophobicContact CB-CE2 3.98Å; R92-F156 HydrophobicContact CB-CZ 4.04Å; R92-F156 WeakPolarHBondContact CD-O 3.27Å; R92-N157 PolarHBondContact NE-O 2.87Å; R92-N157 PolarHBondContact NE-OD1 2.82Å; R92-N157 PolarHBondContact NH2-OD1 3.29Å
93H96.7Very high97.3Very high69 Ų6932.7 Ų32.732%0.31916%0.16SC..THydrogen-bonded Turntrans-49.2128.4171.4-178.971.5000110.3H91 S95 E155 F156H91-H93 PolarHBondContact O-N 2.92Å; H93-S95 VanDerWaalsContact C-N 3.25Å; H93-S95 PolarHBondContact O-N 3.46Å; H93-E155 IonicContact CE1-OE2 2.9Å; H93-E155 IonicContact CG-OE2 2.94Å; H93-E155 IonicContact ND1-OE1 3.94Å; H93-E155 PolarHBondContact ND1-OE1 3.4Å; H93-E155 IonicContact ND1-OE2 3.23Å; H93-E155 PolarHBondContact ND1-OE2 3.37Å; H93-F156 PolarHBondContact N-O 2.78Å
94R94.8Very high96.8Very high225 Ų22533.8 Ų33.885%0.84917%0.168SC*.THydrogen-bonded Turntrans65.114.2-174.9-56.9171.4-172.1-164.8-3.3116.1R92R92-R94 PolarHBondContact O-N 3.41Å
95S97.4Very high96.3Very high21 Ų2138.6 Ų38.615%0.14719%0.193CC..SBendtrans-77.2171.4162.467.90000111R92 H93 Y97R92-S95 VanDerWaalsContact O-CB 3.23Å; R92-S95 WeakPolarHBondContact O-CB 3.37Å; R92-S95 PolarHBondContact O-N 2.63Å; R92-S95 PolarHBondContact O-OG 2.89Å; H93-S95 VanDerWaalsContact C-N 3.25Å; H93-S95 PolarHBondContact O-N 3.46Å; S95-Y97 PolarHBondContact O-N 2.69Å
96L98.2Very high95.9Very high19 Ų1941.1 Ų41.110%0.09921%0.206CC..  trans-58.9135.2176.8-67.8171.5000110.9S69 R71 A74 R101 S104S69-L96 WeakPolarHBondContact O-CB 3.5Å; S69-L96 VanDerWaalsContact O-CG 3.24Å; S69-L96 WeakPolarHBondContact O-CG 3.21Å; S69-L96 PolarHBondContact O-N 2.89Å; R71-L96 HydrophobicContact CB-CD1 3.6Å; R71-L96 HydrophobicContact CG-CD1 4.29Å; A74-L96 HydrophobicContact CB-CB 4.2Å; A74-L96 WeakPolarHBondContact CB-O 3.39Å; L96-R101 HydrophobicContact CB-CB 3.93Å; L96-R101 HydrophobicContact CD2-CB 3.99Å; L96-R101 HydrophobicContact CG-CB 4.37Å; L96-S104 VanDerWaalsContact CD2-CB 3.45Å; L96-S104 WeakPolarHBondContact CD2-OG 3.45Å
97Y98Very high95.5Very high47 Ų4745.2 Ų45.218%0.18423%0.228CC..  trans-113144.7-177.7-177.6-86.4000110.2F89 H91 S95 Y99 T100 R101 Y142 L151 P153F89-Y97 HydrophobicContact CD1-CD2 4.39Å; F89-Y97 HydrophobicContact CE1-CD2 4.4Å; H91-Y97 AromaticContact NE2-CD2 3.79Å; S95-Y97 PolarHBondContact O-N 2.69Å; Y97-Y99 PolarHBondContact O-N 2.68Å; Y97-T100 WeakPolarHBondContact CB-OG1 3.25Å; Y97-T100 HydrophobicContact CD1-CG2 4.42Å; Y97-T100 PolarHBondContact O-N 3.42Å; Y97-T100 PolarHBondContact O-OG1 2.92Å; Y97-R101 VanDerWaalsContact O-CB 3.29Å; Y97-R101 WeakPolarHBondContact O-CB 3.36Å; Y97-R101 PolarHBondContact O-N 3.32Å; Y97-Y142 HydrophobicContact CE1-CE2 4.21Å; Y97-L151 HydrophobicContact CE1-CD2 4.29Å; Y97-L151 WeakPolarHBondContact OH-CD2 3.38Å; Y97-P153 HydrophobicContact CE2-CB 3.75Å; Y97-P153 HydrophobicContact CE2-CG 4.39Å
98P98.3Very high95.2Very high0 Ų051.7 Ų51.70%026%0.259CS..THydrogen-bonded Turntrans-51.7139.1-179.8-27.335.2000112A77 E78 F89 T100 L151A77-P98 HydrophobicContact CB-CB 4.22Å; A77-P98 HydrophobicContact CB-CG 3.63Å; E78-P98 HydrophobicContact CG-CB 4.09Å; E78-P98 WeakPolarHBondContact OE1-CA 3.3Å; F89-P98 HydrophobicContact CD1-CG 4.15Å; F89-P98 HydrophobicContact CD2-CG 4.29Å; F89-P98 VanDerWaalsContact CE1-CD 3.44Å; F89-P98 HydrophobicContact CE1-CG 4.09Å; F89-P98 HydrophobicContact CE2-CG 4.24Å; F89-P98 HydrophobicContact CG-CG 4.26Å; F89-P98 HydrophobicContact CZ-CG 4.13Å; P98-T100 PolarHBondContact O-N 2.99Å; P98-L151 HydrophobicContact CB-CD2 4.25Å; P98-L151 HydrophobicContact CG-CD2 4.23Å
99Y96.9Very high94.9Very high9 Ų957.6 Ų57.64%0.03529%0.29CS..THydrogen-bonded Turntrans70.1-51.3-175.8-49.3-75.1000114.2E78 Y97 R101 L102 V138 R141 Y142 V145E78-Y99 HydrophobicContact CB-CE1 4.23Å; E78-Y99 HydrophobicContact CG-CD1 4.03Å; E78-Y99 HydrophobicContact CG-CE1 3.73Å; E78-Y99 HydrophobicContact CG-CE2 4.26Å; E78-Y99 HydrophobicContact CG-CG 4.4Å; E78-Y99 PolarHBondContact OE1-N 3.19Å; Y97-Y99 PolarHBondContact O-N 2.68Å; Y99-R101 VanDerWaalsContact C-N 3.25Å; Y99-R101 PolarHBondContact O-N 3.31Å; Y99-L102 PolarHBondContact O-N 3.16Å; Y99-V138 HydrophobicContact CD1-CG1 4.36Å; Y99-R141 HydrophobicContact CE1-CG 3.78Å; Y99-Y142 AromaticContact CD2-CD2 3.65Å; Y99-Y142 HydrophobicContact CD2-CD2 3.65Å; Y99-Y142 HydrophobicContact CD2-CE2 4.46Å; Y99-Y142 HydrophobicContact CE2-CD2 4.37Å; Y99-Y142 HydrophobicContact CG-CD2 4.19Å; Y99-V145 HydrophobicContact CE2-CB 4.49Å; Y99-V145 HydrophobicContact CE2-CG1 4.3Å; Y99-V145 HydrophobicContact CE2-CG2 4.22Å; Y99-V145 WeakPolarHBondContact OH-CG2 3.33Å
100T95.1Very high94.6Very high74 Ų7462.8 Ų62.845%0.45432%0.318SS..G310 helixtrans-72.6-18.2-179.262.40000113.2Y97 P98 L102 F103 S104Y97-T100 WeakPolarHBondContact CB-OG1 3.25Å; Y97-T100 HydrophobicContact CD1-CG2 4.42Å; Y97-T100 PolarHBondContact O-N 3.42Å; Y97-T100 PolarHBondContact O-OG1 2.92Å; P98-T100 PolarHBondContact O-N 2.99Å; T100-L102 PolarHBondContact O-N 2.95Å; T100-F103 PolarHBondContact O-N 3.43Å; T100-S104 PolarHBondContact O-N 3.23Å
101R95.3Very high94.4Very high7 Ų762.8 Ų62.83%0.02632%0.318CS..G310 helixtrans-53.5-24.1173.166.8172.7-173.5101.8-1.5114.4A74 E78 L96 Y97 Y99 F103 S104 E297A74-R101 HydrophobicContact CB-CB 4.39Å; E78-R101 VanDerWaalsContact CD-NE 3.34Å; E78-R101 WeakPolarHBondContact OE1-CD 3.47Å; E78-R101 IonicContact OE1-CZ 2.65Å; E78-R101 IonicContact OE1-NE 3.47Å; E78-R101 PolarHBondContact OE1-NE 2.9Å; E78-R101 IonicContact OE1-NH2 3.52Å; E78-R101 IonicContact OE2-CZ 2.6Å; E78-R101 IonicContact OE2-NE 2.72Å; E78-R101 PolarHBondContact OE2-NE 3.46Å; E78-R101 IonicContact OE2-NH2 3.49Å; E78-R101 PolarHBondContact OE2-NH2 3.01Å; L96-R101 HydrophobicContact CB-CB 3.93Å; L96-R101 HydrophobicContact CD2-CB 3.99Å; L96-R101 HydrophobicContact CG-CB 4.37Å; Y97-R101 VanDerWaalsContact O-CB 3.29Å; Y97-R101 WeakPolarHBondContact O-CB 3.36Å; Y97-R101 PolarHBondContact O-N 3.32Å; Y99-R101 VanDerWaalsContact C-N 3.25Å; Y99-R101 PolarHBondContact O-N 3.31Å; R101-F103 PolarHBondContact O-N 2.94Å; R101-S104 PolarHBondContact O-OG 3.27Å; R101-E297 IonicContact CZ-OE1 3.67Å; R101-E297 IonicContact CZ-OE2 3.47Å; R101-E297 IonicContact NH1-OE1 2.72Å; R101-E297 PolarHBondContact NH1-OE1 3.43Å; R101-E297 IonicContact NH1-OE2 3.29Å; R101-E297 IonicContact NH2-OE1 3.75Å; R101-E297 PolarHBondContact NH2-OE1 3.31Å; R101-E297 IonicContact NH2-OE2 2.78Å; R101-E297 PolarHBondContact NH2-OE2 2.85Å
102L92.3Very high94.1Very high76 Ų7665.5 Ų65.540%0.39833%0.332SS..G310 helixtrans-73-18.9-179.8-62.2175.9000111.8Y99 T100 V138Y99-L102 PolarHBondContact O-N 3.16Å; T100-L102 PolarHBondContact O-N 2.95Å; L102-V138 HydrophobicContact CD1-CG2 3.84Å
103F92.4Very high93.8Very high37 Ų3768.9 Ų68.916%0.16235%0.349CS..SBendtrans-1215.2-172.5-44.8-56.7000112.6T100 R101 T105 I106 L132 I135 V138T100-F103 PolarHBondContact O-N 3.43Å; R101-F103 PolarHBondContact O-N 2.94Å; F103-T105 PolarHBondContact O-N 3.41Å; F103-I106 PolarHBondContact O-N 3.19Å; F103-L132 HydrophobicContact CB-CD2 3.85Å; F103-L132 HydrophobicContact CD1-CB 4.44Å; F103-L132 HydrophobicContact CD1-CD2 3.41Å; F103-L132 VanDerWaalsContact CD1-CD2 3.41Å; F103-L132 HydrophobicContact CD1-CG 4.47Å; F103-L132 HydrophobicContact CE1-CB 4.36Å; F103-L132 HydrophobicContact CE1-CD2 4.16Å; F103-L132 HydrophobicContact CG-CD2 3.78Å; F103-I135 HydrophobicContact CD2-CD1 4Å; F103-I135 HydrophobicContact CE1-CD1 4.34Å; F103-I135 HydrophobicContact CE2-CD1 3.36Å; F103-I135 HydrophobicContact CZ-CB 4.38Å; F103-I135 HydrophobicContact CZ-CD1 3.55Å; F103-V138 HydrophobicContact CE2-CB 4.29Å; F103-V138 HydrophobicContact CE2-CG1 3.91Å; F103-V138 HydrophobicContact CZ-CB 4.2Å; F103-V138 HydrophobicContact CZ-CG1 4.26Å; F103-V138 HydrophobicContact CZ-CG2 4.12Å
104S89.1Confident93.6Very high68 Ų6872 Ų7248%0.47637%0.368SS..THydrogen-bonded Turntrans-64.1-17.9-17166.50000115L96 T100 R101L96-S104 VanDerWaalsContact CD2-CB 3.45Å; L96-S104 WeakPolarHBondContact CD2-OG 3.45Å; T100-S104 PolarHBondContact O-N 3.23Å; R101-S104 PolarHBondContact O-OG 3.27Å
105T88.1Confident93.2Very high125 Ų12569 Ų6977%0.76736%0.356SS*.THydrogen-bonded Turntrans-95.9-5.3179.354.50000112.8F103F103-T105 PolarHBondContact O-N 3.41Å
106I90.4Very high92.6Very high52 Ų5272.2 Ų72.227%0.26738%0.384SS..SBendtrans-97.4130.7-176.3-61.2169.9000107.5F103 M108 A111 V131 L132F103-I106 PolarHBondContact O-N 3.19Å; I106-M108 PolarHBondContact O-N 2.78Å; I106-A111 HydrophobicContact CG2-CB 4.43Å; I106-V131 WeakPolarHBondContact CD1-O 3.32Å; I106-V131 HydrophobicContact CG2-CG1 3.75Å; I106-L132 HydrophobicContact CB-CD2 4.29Å; I106-L132 HydrophobicContact CD1-CD2 3.43Å; I106-L132 VanDerWaalsContact CD1-CD2 3.43Å; I106-L132 HydrophobicContact CG1-CD2 4.45Å; I106-L132 HydrophobicContact CG2-CD2 4.06Å
107N90.7Very high91.8Very high86 Ų8673 Ų7346%0.4640%0.397SS..  trans-68.3119.1168.4175.75.5000108.1L109 D110N107-L109 PolarHBondContact O-N 2.98Å; N107-L109 VanDerWaalsContact O-N 3.16Å; N107-L109 PolarHBondContact OD1-N 2.83Å; N107-D110 HydrophobicContact CB-CB 4.49Å; N107-D110 WeakPolarHBondContact CB-OD2 3.35Å; N107-D110 PolarHBondContact ND2-OD1 2.86Å; N107-D110 WeakPolarHBondContact O-CB 3.43Å; N107-D110 PolarHBondContact O-N 3.2Å
108M91Very high90.9Very high136 Ų13679.1 Ų79.167%0.6743%0.433SS*.G310 helixtrans-56.3-36.6-173.8-172.3167.67000112.3I106 D110 A111 L112I106-M108 PolarHBondContact O-N 2.78Å; M108-D110 VanDerWaalsContact C-N 3.28Å; M108-D110 PolarHBondContact O-N 2.92Å; M108-A111 PolarHBondContact O-N 2.87Å; M108-A111 VanDerWaalsContact O-N 3.14Å; M108-L112 HydrophobicContact CG-CD1 4.32Å; M108-L112 WeakPolarHBondContact O-CG 3.41Å
109L93.5Very high89.7Confident124 Ų12481.5 Ų81.565%0.64946%0.458SS*.G310 helixtrans-67.4-28.2-179.1-64.5-178.8000113.2N107 A111 L112N107-L109 PolarHBondContact O-N 2.98Å; N107-L109 VanDerWaalsContact O-N 3.16Å; N107-L109 PolarHBondContact OD1-N 2.83Å; L109-A111 PolarHBondContact O-N 2.96Å; L109-L112 HydrophobicContact CD2-CD1 4.43Å; L109-L112 PolarHBondContact O-N 2.93Å
110D93.1Very high88.5Confident110 Ų11091 Ų9159%0.58850%0.503SS*.G310 helixtrans-71.4-18177.3-60.1-17.3000111.7N107 M108N107-D110 HydrophobicContact CB-CB 4.49Å; N107-D110 WeakPolarHBondContact CB-OD2 3.35Å; N107-D110 PolarHBondContact ND2-OD1 2.86Å; N107-D110 WeakPolarHBondContact O-CB 3.43Å; N107-D110 PolarHBondContact O-N 3.2Å; M108-D110 VanDerWaalsContact C-N 3.28Å; M108-D110 PolarHBondContact O-N 2.92Å
111A93.5Very high87.3Confident0 Ų091.9 Ų91.90%053%0.526CS..G310 helixtrans-97.3-0.7178.800000113.9I106 M108 L109 V127 D128 V131 L132I106-A111 HydrophobicContact CG2-CB 4.43Å; M108-A111 PolarHBondContact O-N 2.87Å; M108-A111 VanDerWaalsContact O-N 3.14Å; L109-A111 PolarHBondContact O-N 2.96Å; A111-V127 WeakPolarHBondContact O-CA 3.43Å; A111-D128 PolarHBondContact O-N 2.84Å; A111-V131 HydrophobicContact CB-CB 4.18Å; A111-V131 HydrophobicContact CB-CG1 3.78Å; A111-L132 HydrophobicContact CB-CD1 3.47Å; A111-L132 VanDerWaalsContact CB-CD1 3.47Å; A111-L132 HydrophobicContact CB-CD2 4.35Å; A111-L132 HydrophobicContact CB-CG 3.61Å
112L94.1Very high86.1Confident62 Ų6293.7 Ų93.733%0.32554%0.542SS..EExtended strand (participates in β ladder)trans-108.7136.3-177.8-60.4179.8000110.8M108 L109 V125 L126 V127M108-L112 HydrophobicContact CG-CD1 4.32Å; M108-L112 WeakPolarHBondContact O-CG 3.41Å; L109-L112 HydrophobicContact CD2-CD1 4.43Å; L109-L112 PolarHBondContact O-N 2.93Å; L112-V125 HydrophobicContact CB-CG1 4.01Å; L112-V125 HydrophobicContact CD1-CG1 4.08Å; L112-V125 HydrophobicContact CD2-CG1 3.83Å; L112-V125 HydrophobicContact CG-CG1 4.16Å; L112-L126 CarbonylContact C-O 3.6Å; L112-L126 WeakPolarHBondContact CA-O 3.18Å; L112-V127 HydrophobicContact CD2-CG2 4.03Å
113Q91.9Very high85.6Confident99 Ų9991.9 Ų91.946%0.46354%0.542SS..EExtended strand (participates in β ladder)trans-118.1134.2174.3-62.2179.71.100108.9L126 D128Q113-L126 HydrophobicContact CB-CB 4.33Å; Q113-L126 PolarHBondContact N-O 2.87Å; Q113-L126 PolarHBondContact O-N 3.42Å; Q113-D128 PolarHBondContact NE2-OD2 3.42Å; Q113-D128 VanDerWaalsContact NE2-OD2 3.12Å
114L90.9Very high85.5Confident134 Ų13495.8 Ų95.870%0.70256%0.561SS**EExtended strand (participates in β ladder)trans-95.1119176.4-174.566.5000109.6V125L114-V125 HydrophobicContact CD1-CG2 4.33Å
115R87.7Confident85.6Confident162 Ų16297 Ų9761%0.61157%0.565SS**EExtended strand (participates in β ladder)trans-93108165.4-171.7178.9-171.21704108G117 G123 E124 L126R115-G117 PolarHBondContact O-N 3.22Å; R115-G123 CarbonylContact O-C 3.54Å; R115-G123 WeakPolarHBondContact O-CA 3.38Å; R115-E124 HydrophobicContact CB-CB 4.36Å; R115-E124 PolarHBondContact N-O 2.97Å; R115-E124 PolarHBondContact O-N 3.01Å; R115-L126 HydrophobicContact CB-CD1 4Å
116A84.9Confident85.8Confident89 Ų8994.5 Ų94.574%0.73655%0.547SS*.EExtended strand (participates in β ladder)trans-59.5134.7179.300000111
117G81.6Confident86Confident36 Ų3695.1 Ų95.137%0.37155%0.553SS.*  trans-107.8176.3165.700000111R115 G119 A122R115-G117 PolarHBondContact O-N 3.22Å; G117-G119 PolarHBondContact O-N 3.05Å; G117-G119 VanDerWaalsContact O-N 3.11Å; G117-A122 WeakPolarHBondContact CA-O 3.42Å; G117-A122 PolarHBondContact N-O 3.17Å
118D78.4Confident86.1Confident175 Ų17592.7 Ų92.794%0.93654%0.54SS*.SBendtrans-77.696.4178.4-63.7-31.4000110.1
119G73Confident86.1Confident51 Ų5191.9 Ų91.953%0.52654%0.535SS..SBendtrans140.6155.9173.400000114.6G117 G121 A122G117-G119 PolarHBondContact O-N 3.05Å; G117-G119 VanDerWaalsContact O-N 3.11Å; G119-G121 PolarHBondContact O-N 3.4Å; G119-A122 WeakPolarHBondContact O-CB 3.48Å; G119-A122 PolarHBondContact O-N 2.87Å; G119-A122 VanDerWaalsContact O-N 3.08Å
120E71.6Confident86Confident209 Ų20993.7 Ų93.798%0.97754%0.544SS*.THydrogen-bonded Turntrans-63.5120.6173.4-80.8-171.1160.800110.7A122E120-A122 PolarHBondContact O-N 3.26Å
121G69.5Low85.9Confident91 Ų9190.8 Ų90.894%0.93853%0.53SS*.THydrogen-bonded Turntrans770.1-175.700000114.8G119 G123G119-G121 PolarHBondContact O-N 3.4Å; G121-G123 PolarHBondContact O-N 3.44Å
122A71.4Confident85.8Confident45 Ų4591.6 Ų91.637%0.37254%0.535SS..  trans-82.9111.7171.200000109G117 G119 E120G117-A122 WeakPolarHBondContact CA-O 3.42Å; G117-A122 PolarHBondContact N-O 3.17Å; G119-A122 WeakPolarHBondContact O-CB 3.48Å; G119-A122 PolarHBondContact O-N 2.87Å; G119-A122 VanDerWaalsContact O-N 3.08Å; E120-A122 PolarHBondContact O-N 3.26Å
123G81.4Confident85.5Confident38 Ų3892.3 Ų92.339%0.39254%0.543SS..EExtended strand (participates in β ladder)trans-174.6150.6176.500000112.1R115 G121R115-G123 CarbonylContact O-C 3.54Å; R115-G123 WeakPolarHBondContact O-CA 3.38Å; G121-G123 PolarHBondContact O-N 3.44Å
124E90.3Very high85.4Confident119 Ų11991.9 Ų91.956%0.55654%0.544SS*.EExtended strand (participates in β ladder)trans-91.6132.7172.4-67.4-179.3167.300109.3R115R115-E124 HydrophobicContact CB-CB 4.36Å; R115-E124 PolarHBondContact N-O 2.97Å; R115-E124 PolarHBondContact O-N 3.01Å
125V91.5Very high85.6Confident94 Ų9486.9 Ų86.957%0.5752%0.517SS*.EExtended strand (participates in β ladder)trans-92114.2171.5-179.50000108.3L112 L114L112-V125 HydrophobicContact CB-CG1 4.01Å; L112-V125 HydrophobicContact CD1-CG1 4.08Å; L112-V125 HydrophobicContact CD2-CG1 3.83Å; L112-V125 HydrophobicContact CG-CG1 4.16Å; L114-V125 HydrophobicContact CD1-CG2 4.33Å
126L92.3Very high85.9Confident72 Ų7281.9 Ų81.938%0.37751%0.511SS..EExtended strand (participates in β ladder)trans-99150.4177.1-60.9168.4000109.5L112 Q113 R115L112-L126 CarbonylContact C-O 3.6Å; L112-L126 WeakPolarHBondContact CA-O 3.18Å; Q113-L126 HydrophobicContact CB-CB 4.33Å; Q113-L126 PolarHBondContact N-O 2.87Å; Q113-L126 PolarHBondContact O-N 3.42Å; R115-L126 HydrophobicContact CB-CD1 4Å
127V93.5Very high86.4Confident65 Ų6585.9 Ų85.939%0.39451%0.507SS..EExtended strand (participates in β ladder)trans-101.7128.6176.5179.80000109.8A111 L112 Q129 L132 I135A111-V127 WeakPolarHBondContact O-CA 3.43Å; L112-V127 HydrophobicContact CD2-CG2 4.03Å; V127-Q129 PolarHBondContact O-N 2.85Å; V127-L132 HydrophobicContact CG1-CB 4.31Å; V127-L132 HydrophobicContact CG1-CD1 3.75Å; V127-L132 HydrophobicContact CG1-CG 4.49Å; V127-I135 HydrophobicContact CG1-CG1 4.31Å; V127-I135 HydrophobicContact CG1-CG2 3.92Å
128D92.5Very high87.1Confident36 Ų3684.9 Ų84.919%0.19349%0.493CS..  trans-74.1107.8171.1-167.4-29.2000110.3A111 Q113 L130 V131 L132A111-D128 PolarHBondContact O-N 2.84Å; Q113-D128 PolarHBondContact NE2-OD2 3.42Å; Q113-D128 VanDerWaalsContact NE2-OD2 3.12Å; D128-L130 VanDerWaalsContact C-N 3.28Å; D128-L130 PolarHBondContact O-N 3.46Å; D128-L130 WeakPolarHBondContact OD1-CA 3.27Å; D128-L130 VanDerWaalsContact OD1-CB 3.27Å; D128-L130 WeakPolarHBondContact OD1-CB 3.14Å; D128-L130 PolarHBondContact OD1-N 3.5Å; D128-V131 HydrophobicContact CB-CB 4.23Å; D128-V131 HydrophobicContact CB-CG2 4Å; D128-V131 PolarHBondContact O-N 2.95Å; D128-V131 PolarHBondContact OD1-N 3.34Å; D128-L132 PolarHBondContact O-N 2.86Å
129Q91.5Very high87.9Confident119 Ų11980.9 Ų80.956%0.55647%0.471SS*.THydrogen-bonded Turntrans-76.8-12.9-179.2-60.9-167.946.700113.5V127 L132 P133 I135V127-Q129 PolarHBondContact O-N 2.85Å; Q129-L132 CarbonylContact O-C 3.54Å; Q129-L132 VanDerWaalsContact O-C 3.31Å; Q129-P133 VanDerWaalsContact O-CA 3.29Å; Q129-P133 WeakPolarHBondContact O-CA 3.42Å; Q129-I135 HydrophobicContact CG-CG2 3.96Å
130L90.4Very high89.1Confident161 Ų16185 Ų8584%0.84348%0.475SS*.THydrogen-bonded Turntrans-73.7-36.8170-61.2175.3000110.2D128D128-L130 VanDerWaalsContact C-N 3.28Å; D128-L130 PolarHBondContact O-N 3.46Å; D128-L130 WeakPolarHBondContact OD1-CA 3.27Å; D128-L130 VanDerWaalsContact OD1-CB 3.27Å; D128-L130 WeakPolarHBondContact OD1-CB 3.14Å; D128-L130 PolarHBondContact OD1-N 3.5Å
131V91.6Very high90.3Very high50 Ų5078.2 Ų78.230%0.30344%0.44SS..THydrogen-bonded Turntrans-75.8-41.4174.4-177.20000111I106 A111 D128 P133I106-V131 WeakPolarHBondContact CD1-O 3.32Å; I106-V131 HydrophobicContact CG2-CG1 3.75Å; A111-V131 HydrophobicContact CB-CB 4.18Å; A111-V131 HydrophobicContact CB-CG1 3.78Å; D128-V131 HydrophobicContact CB-CB 4.23Å; D128-V131 HydrophobicContact CB-CG2 4Å; D128-V131 PolarHBondContact O-N 2.95Å; D128-V131 PolarHBondContact OD1-N 3.34Å; V131-P133 VanDerWaalsContact C-CD 3.47Å; V131-P133 WeakPolarHBondContact O-CD 3.4Å
132L91.8Very high91.6Very high17 Ų1777.2 Ų77.29%0.08941%0.409CS..SBendtrans-114.576.1178-61.7177000111.7F103 I106 A111 V127 D128 Q129 N134 I135F103-L132 HydrophobicContact CB-CD2 3.85Å; F103-L132 HydrophobicContact CD1-CB 4.44Å; F103-L132 HydrophobicContact CD1-CD2 3.41Å; F103-L132 VanDerWaalsContact CD1-CD2 3.41Å; F103-L132 HydrophobicContact CD1-CG 4.47Å; F103-L132 HydrophobicContact CE1-CB 4.36Å; F103-L132 HydrophobicContact CE1-CD2 4.16Å; F103-L132 HydrophobicContact CG-CD2 3.78Å; I106-L132 HydrophobicContact CB-CD2 4.29Å; I106-L132 HydrophobicContact CD1-CD2 3.43Å; I106-L132 VanDerWaalsContact CD1-CD2 3.43Å; I106-L132 HydrophobicContact CG1-CD2 4.45Å; I106-L132 HydrophobicContact CG2-CD2 4.06Å; A111-L132 HydrophobicContact CB-CD1 3.47Å; A111-L132 VanDerWaalsContact CB-CD1 3.47Å; A111-L132 HydrophobicContact CB-CD2 4.35Å; A111-L132 HydrophobicContact CB-CG 3.61Å; V127-L132 HydrophobicContact CG1-CB 4.31Å; V127-L132 HydrophobicContact CG1-CD1 3.75Å; V127-L132 HydrophobicContact CG1-CG 4.49Å; D128-L132 PolarHBondContact O-N 2.86Å; Q129-L132 CarbonylContact O-C 3.54Å; Q129-L132 VanDerWaalsContact O-C 3.31Å; L132-N134 PolarHBondContact O-N 2.98Å; L132-I135 HydrophobicContact CB-CB 3.88Å; L132-I135 HydrophobicContact CB-CG1 4.35Å; L132-I135 HydrophobicContact CB-CG2 4.2Å; L132-I135 HydrophobicContact CD1-CD1 4.42Å; L132-I135 HydrophobicContact CD1-CG1 4.38Å; L132-I135 WeakPolarHBondContact O-CB 3.24Å; L132-I135 VanDerWaalsContact O-CG2 3.27Å; L132-I135 WeakPolarHBondContact O-CG2 3.37Å; L132-I135 PolarHBondContact O-N 3.46Å
133P88.5Confident92.9Very high76 Ų7678.3 Ų78.349%0.49441%0.408SS..THydrogen-bonded Turntrans-60.5140.2179.225.3-34.2000111Q129 V131 I135Q129-P133 VanDerWaalsContact O-CA 3.29Å; Q129-P133 WeakPolarHBondContact O-CA 3.42Å; V131-P133 VanDerWaalsContact C-CD 3.47Å; V131-P133 WeakPolarHBondContact O-CD 3.4Å; P133-I135 PolarHBondContact O-N 2.94Å
134N90.2Very high93.7Very high90 Ų9080.3 Ų80.348%0.48141%0.408SS..THydrogen-bonded Turntrans63.711.6-178.5-55.3-61.8000116L132 A136 R137 V138L132-N134 PolarHBondContact O-N 2.98Å; N134-A136 VanDerWaalsContact C-N 3.27Å; N134-A136 PolarHBondContact O-N 2.85Å; N134-R137 WeakPolarHBondContact O-CB 3.33Å; N134-R137 PolarHBondContact O-N 3.34Å; N134-V138 WeakPolarHBondContact O-CG2 3.16Å; N134-V138 PolarHBondContact O-N 2.99Å
135I94.1Very high94.1Very high30 Ų3074.8 Ų74.815%0.15438%0.382CS..Hα-helixtrans-54.5-40.1-177.7-173.160.6000113.4F103 V127 Q129 L132 P133 R137 V138 L139F103-I135 HydrophobicContact CD2-CD1 4Å; F103-I135 HydrophobicContact CE1-CD1 4.34Å; F103-I135 HydrophobicContact CE2-CD1 3.36Å; F103-I135 HydrophobicContact CZ-CB 4.38Å; F103-I135 HydrophobicContact CZ-CD1 3.55Å; V127-I135 HydrophobicContact CG1-CG1 4.31Å; V127-I135 HydrophobicContact CG1-CG2 3.92Å; Q129-I135 HydrophobicContact CG-CG2 3.96Å; L132-I135 HydrophobicContact CB-CB 3.88Å; L132-I135 HydrophobicContact CB-CG1 4.35Å; L132-I135 HydrophobicContact CB-CG2 4.2Å; L132-I135 HydrophobicContact CD1-CD1 4.42Å; L132-I135 HydrophobicContact CD1-CG1 4.38Å; L132-I135 WeakPolarHBondContact O-CB 3.24Å; L132-I135 VanDerWaalsContact O-CG2 3.27Å; L132-I135 WeakPolarHBondContact O-CG2 3.37Å; L132-I135 PolarHBondContact O-N 3.46Å; P133-I135 PolarHBondContact O-N 2.94Å; I135-R137 PolarHBondContact O-N 2.83Å; I135-V138 PolarHBondContact O-N 2.79Å; I135-L139 VanDerWaalsContact O-CB 3.25Å; I135-L139 WeakPolarHBondContact O-CB 3.37Å; I135-L139 PolarHBondContact O-N 3.44Å
136A94Very high94.4Very high57 Ų5777 Ų7747%0.47138%0.384SS..Hα-helixtrans-62.4-42.3179.100000112.2N134 K140N134-A136 VanDerWaalsContact C-N 3.27Å; N134-A136 PolarHBondContact O-N 2.85Å; A136-K140 WeakPolarHBondContact O-CB 3.45Å; A136-K140 PolarHBondContact O-N 3.17Å
137R95Very high94.7Very high172 Ų17280.1 Ų80.165%0.64940%0.401SS*.Hα-helixtrans-63.9-45.8176.2-175.4-178.171.5172.12.6110.9N134 I135 R141N134-R137 WeakPolarHBondContact O-CB 3.33Å; N134-R137 PolarHBondContact O-N 3.34Å; I135-R137 PolarHBondContact O-N 2.83Å; R137-R141 WeakPolarHBondContact O-CB 3.35Å; R137-R141 PolarHBondContact O-N 3.34Å
138V95.8Very high94.9Very high15 Ų1578.9 Ų78.99%0.09140%0.402CS..Hα-helixtrans-65.4-44.4-179.9177.20000111Y99 L102 F103 N134 I135 R141 Y142Y99-V138 HydrophobicContact CD1-CG1 4.36Å; L102-V138 HydrophobicContact CD1-CG2 3.84Å; F103-V138 HydrophobicContact CE2-CB 4.29Å; F103-V138 HydrophobicContact CE2-CG1 3.91Å; F103-V138 HydrophobicContact CZ-CB 4.2Å; F103-V138 HydrophobicContact CZ-CG1 4.26Å; F103-V138 HydrophobicContact CZ-CG2 4.12Å; N134-V138 WeakPolarHBondContact O-CG2 3.16Å; N134-V138 PolarHBondContact O-N 2.99Å; I135-V138 PolarHBondContact O-N 2.79Å; V138-R141 PolarHBondContact O-N 3.36Å; V138-Y142 WeakPolarHBondContact O-CB 3.36Å; V138-Y142 PolarHBondContact O-N 3.36Å
139L96Very high95.2Very high91 Ų9177.9 Ų77.948%0.47640%0.4SS..Hα-helixtrans-63-45.5177.7178.659.4000111.7I135 R141 Y142 N143I135-L139 VanDerWaalsContact O-CB 3.25Å; I135-L139 WeakPolarHBondContact O-CB 3.37Å; I135-L139 PolarHBondContact O-N 3.44Å; L139-R141 VanDerWaalsContact C-N 3.32Å; L139-R141 PolarHBondContact O-N 3.36Å; L139-Y142 PolarHBondContact O-N 2.99Å; L139-N143 VanDerWaalsContact O-CG 3.3Å; L139-N143 PolarHBondContact O-N 2.99Å; L139-N143 PolarHBondContact O-ND2 3.37Å
140K97.4Very high95.6Very high137 Ų13773.3 Ų73.360%0.59638%0.379SS*.Hα-helixtrans-55.8-49.5174.7-177.9-177.6176.2-176.50110.6A136 Y142 N143 E144A136-K140 WeakPolarHBondContact O-CB 3.45Å; A136-K140 PolarHBondContact O-N 3.17Å; K140-Y142 PolarHBondContact O-N 2.8Å; K140-N143 PolarHBondContact O-N 2.69Å; K140-E144 WeakPolarHBondContact CE-OE1 3.35Å; K140-E144 WeakPolarHBondContact O-CG 3.39Å; K140-E144 PolarHBondContact O-N 2.96Å; K140-E144 VanDerWaalsContact O-N 3.07Å
141R97.6Very high96Very high67 Ų6766.8 Ų66.825%0.25335%0.345SS..Hα-helixtrans-62.8-42.9179.4-17655.2174.8164.62.2112.3Y99 R137 V138 L139 N143 E144 V145Y99-R141 HydrophobicContact CE1-CG 3.78Å; R137-R141 WeakPolarHBondContact O-CB 3.35Å; R137-R141 PolarHBondContact O-N 3.34Å; V138-R141 PolarHBondContact O-N 3.36Å; L139-R141 VanDerWaalsContact C-N 3.32Å; L139-R141 PolarHBondContact O-N 3.36Å; R141-N143 VanDerWaalsContact C-N 3.32Å; R141-N143 PolarHBondContact O-N 2.72Å; R141-E144 WeakPolarHBondContact CD-OE2 3.34Å; R141-E144 IonicContact CZ-OE2 3.37Å; R141-E144 IonicContact NH1-OE2 3.52Å; R141-E144 PolarHBondContact NH1-OE2 3.2Å; R141-E144 WeakPolarHBondContact O-CB 3.29Å; R141-E144 PolarHBondContact O-N 3.32Å; R141-V145 WeakPolarHBondContact O-CG2 3.46Å; R141-V145 PolarHBondContact O-N 3.39Å
142Y97.9Very high96.3Very high71 Ų7165.9 Ų65.928%0.27834%0.338SS..Hα-helixtrans-60.6-41.1176.5178.4-105.6000112.2Y97 Y99 V138 L139 K140 V145 K146Y97-Y142 HydrophobicContact CE1-CE2 4.21Å; Y99-Y142 AromaticContact CD2-CD2 3.65Å; Y99-Y142 HydrophobicContact CD2-CD2 3.65Å; Y99-Y142 HydrophobicContact CD2-CE2 4.46Å; Y99-Y142 HydrophobicContact CE2-CD2 4.37Å; Y99-Y142 HydrophobicContact CG-CD2 4.19Å; V138-Y142 WeakPolarHBondContact O-CB 3.36Å; V138-Y142 PolarHBondContact O-N 3.36Å; L139-Y142 PolarHBondContact O-N 2.99Å; K140-Y142 PolarHBondContact O-N 2.8Å; Y142-V145 WeakPolarHBondContact O-CB 3.39Å; Y142-V145 PolarHBondContact O-N 2.87Å; Y142-K146 WeakPolarHBondContact O-CB 3.33Å; Y142-K146 PolarHBondContact O-N 2.96Å
143N98.3Very high96.6Very high67 Ų6767.8 Ų67.836%0.35835%0.351SS..Hα-helixtrans-63.2-44.6175.8-70.3-20.3000111.5L139 K140 R141 V145 K146 D147L139-N143 VanDerWaalsContact O-CG 3.3Å; L139-N143 PolarHBondContact O-N 2.99Å; L139-N143 PolarHBondContact O-ND2 3.37Å; K140-N143 PolarHBondContact O-N 2.69Å; R141-N143 VanDerWaalsContact C-N 3.32Å; R141-N143 PolarHBondContact O-N 2.72Å; N143-V145 VanDerWaalsContact C-N 3.26Å; N143-V145 PolarHBondContact O-N 3.4Å; N143-K146 PolarHBondContact O-N 3.29Å; N143-K146 VanDerWaalsContact O-N 3.13Å; N143-D147 WeakPolarHBondContact O-CB 3.47Å; N143-D147 PolarHBondContact O-N 2.89Å
144E98.4Very high97.1Very high81 Ų8164.8 Ų64.838%0.37933%0.331SS..Hα-helixtrans-57-40.4174.3-67.4167.2-175.600112.3K140 R141 G148K140-E144 WeakPolarHBondContact CE-OE1 3.35Å; K140-E144 WeakPolarHBondContact O-CG 3.39Å; K140-E144 PolarHBondContact O-N 2.96Å; K140-E144 VanDerWaalsContact O-N 3.07Å; R141-E144 WeakPolarHBondContact CD-OE2 3.34Å; R141-E144 IonicContact CZ-OE2 3.37Å; R141-E144 IonicContact NH1-OE2 3.52Å; R141-E144 PolarHBondContact NH1-OE2 3.2Å; R141-E144 WeakPolarHBondContact O-CB 3.29Å; R141-E144 PolarHBondContact O-N 3.32Å; E144-G148 PolarHBondContact O-N 3.18Å
145V98.4Very high97.5Very high2 Ų265.1 Ų65.11%0.01233%0.33CS..Hα-helixtrans-66.7-42177.3167.40000111.8I81 Y99 R141 Y142 N143 G149 L150 L151I81-V145 HydrophobicContact CD1-CG1 3.95Å; I81-V145 HydrophobicContact CD1-CG2 4.38Å; I81-V145 HydrophobicContact CG2-CG2 3.74Å; Y99-V145 HydrophobicContact CE2-CB 4.49Å; Y99-V145 HydrophobicContact CE2-CG1 4.3Å; Y99-V145 HydrophobicContact CE2-CG2 4.22Å; Y99-V145 WeakPolarHBondContact OH-CG2 3.33Å; R141-V145 WeakPolarHBondContact O-CG2 3.46Å; R141-V145 PolarHBondContact O-N 3.39Å; Y142-V145 WeakPolarHBondContact O-CB 3.39Å; Y142-V145 PolarHBondContact O-N 2.87Å; N143-V145 VanDerWaalsContact C-N 3.26Å; N143-V145 PolarHBondContact O-N 3.4Å; V145-G149 PolarHBondContact O-N 3.39Å; V145-G149 VanDerWaalsContact O-N 3.11Å; V145-L150 HydrophobicContact CG1-CB 4.17Å; V145-L150 PolarHBondContact O-N 3.26Å; V145-L151 HydrophobicContact CG1-CB 3.71Å
146K98.1Very high97.7Very high141 Ų14163.9 Ų63.961%0.61332%0.323SS*.Hα-helixtrans-65.9-49.7177.7-174.3-177.2177.2-173.40111Y142 N143 G148 G149Y142-K146 WeakPolarHBondContact O-CB 3.33Å; Y142-K146 PolarHBondContact O-N 2.96Å; N143-K146 PolarHBondContact O-N 3.29Å; N143-K146 VanDerWaalsContact O-N 3.13Å; K146-G148 VanDerWaalsContact C-N 3.32Å; K146-G148 PolarHBondContact O-N 3.05Å; K146-G149 PolarHBondContact O-N 3.32Å
147D98.2Very high97.7Very high137 Ų13763.2 Ų63.273%0.73331%0.312SS*.Hα-helixtrans-64.4-39.1-179.2-65-15.9000111.1N143 G149N143-D147 WeakPolarHBondContact O-CB 3.47Å; N143-D147 PolarHBondContact O-N 2.89Å; D147-G149 PolarHBondContact O-N 3.45Å
148G97.8Very high97.8Very high40 Ų4056.2 Ų56.241%0.41229%0.288SS..THydrogen-bonded Turntrans-74.1-7.1173.200000114.5E144 K146 L150E144-G148 PolarHBondContact O-N 3.18Å; K146-G148 VanDerWaalsContact C-N 3.32Å; K146-G148 PolarHBondContact O-N 3.05Å; G148-L150 PolarHBondContact O-N 3.47Å
149G98.4Very high97.8Very high15 Ų1555.7 Ų55.716%0.15529%0.285CS..THydrogen-bonded Turntrans54.939-175.200000112.7F33 R36 H37 V145 K146 D147F33-G149 WeakPolarHBondContact CE2-O 3.43Å; R36-G149 PolarHBondContact NH2-O 2.86Å; H37-G149 PolarHBondContact NE2-O 2.91Å; V145-G149 PolarHBondContact O-N 3.39Å; V145-G149 VanDerWaalsContact O-N 3.11Å; K146-G149 PolarHBondContact O-N 3.32Å; D147-G149 PolarHBondContact O-N 3.45Å
150L98.8Very high97.7Very high22 Ų2252.3 Ų52.312%0.11527%0.269CS..  trans-85.4-12.5-171.8-60.2178.8000113.5I81 A86 V87 V145 G148I81-L150 HydrophobicContact CG2-CB 4.4Å; I81-L150 HydrophobicContact CG2-CD1 3.98Å; A86-L150 CarbonylContact C-O 3.51Å; A86-L150 WeakPolarHBondContact CA-O 3.39Å; V87-L150 PolarHBondContact N-O 2.91Å; V145-L150 HydrophobicContact CG1-CB 4.17Å; V145-L150 PolarHBondContact O-N 3.26Å; G148-L150 PolarHBondContact O-N 3.47Å
151L98.8Very high97.6Very high24 Ų2448.3 Ų48.313%0.12625%0.252CS..EExtended strand (participates in β ladder)trans-126.4124.2-178.2-17862.6000110.4I81 V87 F89 Y97 P98 V145I81-L151 HydrophobicContact CD1-CB 4.28Å; I81-L151 HydrophobicContact CD1-CD1 4.48Å; V87-L151 HydrophobicContact CB-CD1 3.9Å; V87-L151 HydrophobicContact CG1-CD1 3.8Å; V87-L151 CarbonylContact O-C 3.6Å; V87-L151 WeakPolarHBondContact O-CA 3.34Å; F89-L151 HydrophobicContact CB-CD1 3.74Å; Y97-L151 HydrophobicContact CE1-CD2 4.29Å; Y97-L151 WeakPolarHBondContact OH-CD2 3.38Å; P98-L151 HydrophobicContact CB-CD2 4.25Å; P98-L151 HydrophobicContact CG-CD2 4.23Å; V145-L151 HydrophobicContact CG1-CB 3.71Å
152L98.8Very high97.6Very high32 Ų3245.3 Ų45.317%0.16824%0.241CC..EExtended strand (participates in β ladder)trans-113.3101.3171.3175.662.9000109.3M30 F33 V87 I88 F89 I154M30-L152 HydrophobicContact CG-CD2 4.04Å; F33-L152 HydrophobicContact CB-CD2 3.77Å; F33-L152 HydrophobicContact CD1-CB 4.41Å; F33-L152 HydrophobicContact CD1-CD2 4.45Å; F33-L152 HydrophobicContact CD2-CB 3.72Å; F33-L152 HydrophobicContact CD2-CD2 4.19Å; F33-L152 HydrophobicContact CD2-CG 4.48Å; F33-L152 HydrophobicContact CE1-CB 4.37Å; F33-L152 HydrophobicContact CE2-CB 3.66Å; F33-L152 HydrophobicContact CG-CB 4.09Å; F33-L152 HydrophobicContact CG-CD2 3.91Å; F33-L152 HydrophobicContact CZ-CB 3.99Å; V87-L152 PolarHBondContact O-N 3.27Å; I88-L152 CarbonylContact C-O 3.45Å; I88-L152 WeakPolarHBondContact CA-O 3.36Å; I88-L152 HydrophobicContact CD1-CD2 4.42Å; I88-L152 HydrophobicContact CG1-CB 4.39Å; I88-L152 HydrophobicContact CG1-CD2 4.28Å; I88-L152 HydrophobicContact CG2-CD2 4.43Å; F89-L152 PolarHBondContact N-O 3.17Å; L152-I154 HydrophobicContact CD1-CD1 4.32Å; L152-I154 HydrophobicContact CG-CD1 4.2Å; L152-I154 HydrophobicContact CG-CG1 4.37Å
153P98.6Very high97.5Very high56 Ų5642 Ų4236%0.36423%0.228SC..EExtended strand (participates in β ladder)trans-81.3132.1177.532.7-33.9000111.3Y97Y97-P153 HydrophobicContact CE2-CB 3.75Å; Y97-P153 HydrophobicContact CE2-CG 4.39Å
154I98.6Very high97.4Very high13 Ų1339.4 Ų39.47%0.06721%0.214CC..EExtended strand (participates in β ladder)trans-127.6129.2173-57.3-61.9000107.6V26 M30 I88 F89 L90 H91 L152 L165V26-I154 HydrophobicContact CG1-CD1 3.75Å; V26-I154 HydrophobicContact CG1-CG1 4.14Å; V26-I154 HydrophobicContact CG1-CG2 3.7Å; V26-I154 HydrophobicContact CG2-CD1 4.44Å; M30-I154 HydrophobicContact CG-CG1 4.46Å; M30-I154 HydrophobicContact SD-CG1 4.47Å; I88-I154 HydrophobicContact CG2-CG1 4.24Å; F89-I154 PolarHBondContact O-N 3.32Å; F89-I154 VanDerWaalsContact O-O 3.04Å; L90-I154 CarbonylContact C-O 3.58Å; L90-I154 VanDerWaalsContact CA-O 3.3Å; L90-I154 WeakPolarHBondContact CA-O 3.34Å; L90-I154 HydrophobicContact CD1-CB 4.05Å; L90-I154 HydrophobicContact CD1-CG2 3.67Å; H91-I154 PolarHBondContact N-O 2.86Å; H91-I154 PolarHBondContact ND1-O 2.93Å; H91-I154 VanDerWaalsContact ND1-O 3.13Å; L152-I154 HydrophobicContact CD1-CD1 4.32Å; L152-I154 HydrophobicContact CG-CD1 4.2Å; L152-I154 HydrophobicContact CG-CG1 4.37Å; I154-L165 HydrophobicContact CG2-CD1 4.25Å; I154-L165 HydrophobicContact CG2-CD2 4.27Å
155E98.1Very high97.4Very high98 Ų9835.6 Ų35.646%0.45820%0.196SC..EExtended strand (participates in β ladder)trans-96144.8-178.8-66.6-171.5164.600111.9H91 H93 L165H91-E155 CarbonylContact O-C 3.57Å; H91-E155 VanDerWaalsContact O-CA 3.31Å; H91-E155 WeakPolarHBondContact O-CA 3.4Å; H93-E155 IonicContact CE1-OE2 2.9Å; H93-E155 IonicContact CG-OE2 2.94Å; H93-E155 IonicContact ND1-OE1 3.94Å; H93-E155 PolarHBondContact ND1-OE1 3.4Å; H93-E155 IonicContact ND1-OE2 3.23Å; H93-E155 PolarHBondContact ND1-OE2 3.37Å; E155-L165 WeakPolarHBondContact O-CD1 3.45Å
156F97.9Very high97.4Very high3 Ų335.5 Ų35.51%0.01320%0.195CC..EExtended strand (participates in β ladder)trans-131.8165.4162.769.7-95.2000109.6S49 G51 T52 L90 H91 R92 H93 E161 Y162 L165 A186S49-F156 WeakPolarHBondContact O-CZ 3.34Å; G51-F156 WeakPolarHBondContact O-CE2 3.48Å; T52-F156 HydrophobicContact CG2-CD2 4.34Å; T52-F156 HydrophobicContact CG2-CE2 3.74Å; T52-F156 HydrophobicContact CG2-CZ 4.45Å; L90-F156 HydrophobicContact CD1-CB 4.46Å; L90-F156 HydrophobicContact CD1-CD1 3.76Å; L90-F156 HydrophobicContact CG-CD1 3.8Å; L90-F156 HydrophobicContact CG-CE1 4.18Å; H91-F156 VanDerWaalsContact C-CD1 3.42Å; H91-F156 WeakPolarHBondContact O-CD1 3.44Å; H91-F156 PolarHBondContact O-N 2.94Å; R92-F156 CarbonylContact C-O 3.59Å; R92-F156 VanDerWaalsContact CA-O 3.26Å; R92-F156 WeakPolarHBondContact CA-O 3.37Å; R92-F156 HydrophobicContact CB-CE2 3.98Å; R92-F156 HydrophobicContact CB-CZ 4.04Å; R92-F156 WeakPolarHBondContact CD-O 3.27Å; H93-F156 PolarHBondContact N-O 2.78Å; F156-E161 HydrophobicContact CB-CB 4.06Å; F156-Y162 HydrophobicContact CD1-CD2 4.09Å; F156-Y162 HydrophobicContact CD2-CD2 4.39Å; F156-Y162 AromaticContact CE1-CD2 3.8Å; F156-Y162 HydrophobicContact CE1-CD2 3.8Å; F156-Y162 HydrophobicContact CE1-CE2 4.45Å; F156-Y162 HydrophobicContact CE2-CD2 4.16Å; F156-Y162 HydrophobicContact CG-CD2 4.36Å; F156-Y162 AromaticContact CZ-CD2 3.86Å; F156-Y162 HydrophobicContact CZ-CD2 3.86Å; F156-L165 HydrophobicContact CB-CD1 3.95Å; F156-A186 HydrophobicContact CZ-CB 4.45Å
157N95.3Very high97.3Very high44 Ų4430.6 Ų30.624%0.23517%0.174CC..  trans-130-51.7174.6-157.910.1000110.7K53 R92 E161K53-N157 WeakPolarHBondContact CE-ND2 3.49Å; K53-N157 WeakPolarHBondContact CG-O 3.18Å; K53-N157 PolarHBondContact N-O 3.06Å; K53-N157 PolarHBondContact NZ-ND2 2.91Å; R92-N157 PolarHBondContact NE-O 2.87Å; R92-N157 PolarHBondContact NE-OD1 2.82Å; R92-N157 PolarHBondContact NH2-OD1 3.29Å; N157-E161 VanDerWaalsContact CA-OE2 3.31Å; N157-E161 WeakPolarHBondContact CA-OE2 3.4Å; N157-E161 VanDerWaalsContact CB-OE2 3.22Å; N157-E161 WeakPolarHBondContact CB-OE2 3.18Å; N157-E161 PolarHBondContact N-OE2 3.06Å
158T95.9Very high97.3Very high24 Ų2424.2 Ų24.215%0.14714%0.14CC..BIsolated β-bridgetrans-92.4162.2-177.264.50000112.7K53 P55 S160 E161 Y162K53-T158 HydrophobicContact CG-CG2 4.09Å; K53-T158 CarbonylContact O-C 3.55Å; K53-T158 VanDerWaalsContact O-CA 3.27Å; K53-T158 WeakPolarHBondContact O-CA 3.32Å; P55-T158 HydrophobicContact CG-CG2 4.15Å; T158-S160 VanDerWaalsContact C-N 3.26Å; T158-S160 PolarHBondContact O-N 2.93Å; T158-E161 PolarHBondContact N-OE2 2.93Å; T158-E161 PolarHBondContact O-N 2.81Å; T158-E161 WeakPolarHBondContact OG1-CG 3.41Å; T158-E161 PolarHBondContact OG1-N 3.29Å; T158-E161 PolarHBondContact OG1-OE2 3.11Å; T158-Y162 WeakPolarHBondContact O-CB 3.37Å; T158-Y162 PolarHBondContact O-N 3.26Å
159L96Very high97.3Very high4 Ų422.3 Ų22.32%0.02112%0.121CC..Hα-helixtrans-55.8-42.6167.817667000111.4F17 T52 K53 V54 E161 Y162 L163 V188 Y192 V217F17-L159 HydrophobicContact CE1-CD2 3.78Å; F17-L159 HydrophobicContact CE1-CG 4.16Å; F17-L159 HydrophobicContact CZ-CD2 4.41Å; T52-L159 HydrophobicContact CG2-CD1 4.44Å; K53-L159 PolarHBondContact O-N 2.98Å; V54-L159 HydrophobicContact CG2-CB 4.15Å; V54-L159 HydrophobicContact CG2-CD2 4.16Å; L159-E161 PolarHBondContact O-N 3.34Å; L159-Y162 WeakPolarHBondContact O-CB 3.4Å; L159-Y162 PolarHBondContact O-N 3.12Å; L159-L163 HydrophobicContact CD1-CD1 4.12Å; L159-L163 HydrophobicContact CD1-CD2 4.25Å; L159-L163 HydrophobicContact CD1-CG 3.97Å; L159-L163 HydrophobicContact CG-CD1 4.02Å; L159-L163 HydrophobicContact CG-CG 4.26Å; L159-L163 VanDerWaalsContact O-CG 3.29Å; L159-L163 WeakPolarHBondContact O-CG 3.45Å; L159-L163 PolarHBondContact O-N 3.21Å; L159-V188 HydrophobicContact CD1-CG1 3.55Å; L159-Y192 HydrophobicContact CD2-CG 4.39Å; L159-V217 HydrophobicContact CD1-CG1 4.49Å; L159-V217 HydrophobicContact CD2-CG1 4.4Å; L159-V217 HydrophobicContact CD2-CG2 3.45Å; L159-V217 VanDerWaalsContact CD2-CG2 3.45Å
160S94.3Very high97.3Very high20 Ų2021.6 Ų21.614%0.1411%0.113CC..Hα-helixtrans-57.2-51.4179.6-162.30000111.8F17 A18 T158 Y162 L163 H164F17-S160 WeakPolarHBondContact CB-OG 3.41Å; A18-S160 PolarHBondContact N-OG 2.9Å; A18-S160 VanDerWaalsContact N-OG 3.13Å; A18-S160 PolarHBondContact O-OG 2.84Å; T158-S160 VanDerWaalsContact C-N 3.26Å; T158-S160 PolarHBondContact O-N 2.93Å; S160-Y162 PolarHBondContact O-N 3.45Å; S160-L163 PolarHBondContact O-N 3Å; S160-H164 PolarHBondContact O-CD2 3.37Å; S160-H164 VanDerWaalsContact O-CD2 3.26Å; S160-H164 PolarHBondContact O-N 3.05Å; S160-H164 VanDerWaalsContact O-N 3.15Å
161E95.8Very high97.1Very high53 Ų5324 Ų2425%0.24812%0.124CC..Hα-helixtrans-60.1-46.7176.8-71.9163.5156.500111.5P20 F156 N157 T158 L159 L163 H164 L165P20-E161 HydrophobicContact CB-CG 4.34Å; P20-E161 HydrophobicContact CG-CB 4.17Å; P20-E161 HydrophobicContact CG-CG 3.74Å; F156-E161 HydrophobicContact CB-CB 4.06Å; N157-E161 VanDerWaalsContact CA-OE2 3.31Å; N157-E161 WeakPolarHBondContact CA-OE2 3.4Å; N157-E161 VanDerWaalsContact CB-OE2 3.22Å; N157-E161 WeakPolarHBondContact CB-OE2 3.18Å; N157-E161 PolarHBondContact N-OE2 3.06Å; T158-E161 PolarHBondContact N-OE2 2.93Å; T158-E161 PolarHBondContact O-N 2.81Å; T158-E161 WeakPolarHBondContact OG1-CG 3.41Å; T158-E161 PolarHBondContact OG1-N 3.29Å; T158-E161 PolarHBondContact OG1-OE2 3.11Å; L159-E161 PolarHBondContact O-N 3.34Å; E161-L163 VanDerWaalsContact C-N 3.34Å; E161-L163 PolarHBondContact O-N 3.13Å; E161-H164 PolarHBondContact O-N 3.38Å; E161-L165 HydrophobicContact CB-CD1 4.32Å; E161-L165 VanDerWaalsContact O-CB 3.23Å; E161-L165 WeakPolarHBondContact O-CB 3.25Å; E161-L165 WeakPolarHBondContact O-CD1 3.48Å; E161-L165 WeakPolarHBondContact O-CG 3.38Å; E161-L165 PolarHBondContact O-N 3.11Å
162Y97.6Very high97.1Very high4 Ų423 Ų232%0.01612%0.12CC..Hα-helixtrans-55.8-47.9178.4170.7-94.8000112.2T48 T52 L90 F156 T158 L159 S160 L166 A186 V188 I220T48-Y162 HydrophobicContact CG2-CE2 3.84Å; T52-Y162 HydrophobicContact CG2-CD1 4.13Å; T52-Y162 HydrophobicContact CG2-CD2 4.26Å; T52-Y162 HydrophobicContact CG2-CG 3.76Å; L90-Y162 HydrophobicContact CD2-CD2 4.46Å; F156-Y162 HydrophobicContact CD1-CD2 4.09Å; F156-Y162 HydrophobicContact CD2-CD2 4.39Å; F156-Y162 AromaticContact CE1-CD2 3.8Å; F156-Y162 HydrophobicContact CE1-CD2 3.8Å; F156-Y162 HydrophobicContact CE1-CE2 4.45Å; F156-Y162 HydrophobicContact CE2-CD2 4.16Å; F156-Y162 HydrophobicContact CG-CD2 4.36Å; F156-Y162 AromaticContact CZ-CD2 3.86Å; F156-Y162 HydrophobicContact CZ-CD2 3.86Å; T158-Y162 WeakPolarHBondContact O-CB 3.37Å; T158-Y162 PolarHBondContact O-N 3.26Å; L159-Y162 WeakPolarHBondContact O-CB 3.4Å; L159-Y162 PolarHBondContact O-N 3.12Å; S160-Y162 PolarHBondContact O-N 3.45Å; Y162-L166 HydrophobicContact CE1-CD2 4.03Å; Y162-L166 WeakPolarHBondContact O-CB 3.38Å; Y162-L166 PolarHBondContact O-N 2.91Å; Y162-A186 HydrophobicContact CE2-CB 3.87Å; Y162-V188 HydrophobicContact CD1-CG1 4.07Å; Y162-V188 HydrophobicContact CD1-CG2 4.13Å; Y162-V188 HydrophobicContact CE1-CB 4.27Å; Y162-V188 HydrophobicContact CE1-CG1 3.83Å; Y162-V188 HydrophobicContact CE1-CG2 3.36Å; Y162-V188 HydrophobicContact CE2-CG2 4.25Å; Y162-V188 VanDerWaalsContact CZ-CG2 3.42Å; Y162-V188 WeakPolarHBondContact OH-CG2 3.22Å; Y162-I220 HydrophobicContact CE1-CD1 4.1Å
163L96.2Very high97.1Very high2 Ų221.5 Ų21.51%0.0111%0.112CC..Hα-helixtrans-65.1-45.4-177.2-67.2178.3000112L13 F17 L159 S160 E161 K167 V217 I220L13-L163 HydrophobicContact CD1-CB 3.67Å; L13-L163 HydrophobicContact CD1-CD1 3.75Å; L13-L163 HydrophobicContact CD1-CG 4.31Å; F17-L163 HydrophobicContact CD1-CD1 3.91Å; F17-L163 HydrophobicContact CD2-CD1 4.16Å; F17-L163 HydrophobicContact CE1-CD1 3.72Å; F17-L163 HydrophobicContact CE2-CD1 3.97Å; F17-L163 HydrophobicContact CG-CD1 4.12Å; F17-L163 HydrophobicContact CZ-CD1 3.74Å; L159-L163 HydrophobicContact CD1-CD1 4.12Å; L159-L163 HydrophobicContact CD1-CD2 4.25Å; L159-L163 HydrophobicContact CD1-CG 3.97Å; L159-L163 HydrophobicContact CG-CD1 4.02Å; L159-L163 HydrophobicContact CG-CG 4.26Å; L159-L163 VanDerWaalsContact O-CG 3.29Å; L159-L163 WeakPolarHBondContact O-CG 3.45Å; L159-L163 PolarHBondContact O-N 3.21Å; S160-L163 PolarHBondContact O-N 3Å; E161-L163 VanDerWaalsContact C-N 3.34Å; E161-L163 PolarHBondContact O-N 3.13Å; L163-K167 PolarHBondContact O-N 2.89Å; L163-V217 HydrophobicContact CD1-CG1 4.33Å; L163-I220 HydrophobicContact CD2-CB 4.39Å; L163-I220 HydrophobicContact CD2-CD1 3.7Å; L163-I220 HydrophobicContact CD2-CG1 4.1Å; L163-I220 HydrophobicContact CD2-CG2 3.7Å
164H96.1Very high97Very high13 Ų1321.2 Ų21.26%0.0611%0.111CC..Hα-helixtrans-68.7-41.5179.1-76.8-68.2000112.4F17 A18 P20 V23 S160 E161 K167 A168F17-H164 PolarHBondContact O-NE2 3.42Å; A18-H164 PolarHBondContact O-CD2 3.27Å; P20-H164 HydrophobicContact CG-CB 4.29Å; V23-H164 HydrophobicContact CG2-CB 3.88Å; S160-H164 PolarHBondContact O-CD2 3.37Å; S160-H164 VanDerWaalsContact O-CD2 3.26Å; S160-H164 PolarHBondContact O-N 3.05Å; S160-H164 VanDerWaalsContact O-N 3.15Å; E161-H164 PolarHBondContact O-N 3.38Å; H164-K167 PolarHBondContact O-N 2.97Å; H164-A168 WeakPolarHBondContact O-CB 3.25Å; H164-A168 PolarHBondContact O-N 2.86Å
165L97.8Very high96.9Very high0 Ų024.9 Ų24.90%014%0.138CC..Hα-helixtrans-68.2-36.5177.1-68.7168.8000112V23 V26 L90 I154 E155 F156 E161 A168 A169V23-L165 HydrophobicContact CG2-CD2 3.82Å; V23-L165 HydrophobicContact CG2-CG 4.24Å; V26-L165 HydrophobicContact CB-CD2 4.1Å; V26-L165 HydrophobicContact CG1-CD2 3.67Å; L90-L165 HydrophobicContact CD1-CB 3.89Å; L90-L165 HydrophobicContact CD1-CD1 3.99Å; L90-L165 HydrophobicContact CD2-CB 4.21Å; I154-L165 HydrophobicContact CG2-CD1 4.25Å; I154-L165 HydrophobicContact CG2-CD2 4.27Å; E155-L165 WeakPolarHBondContact O-CD1 3.45Å; F156-L165 HydrophobicContact CB-CD1 3.95Å; E161-L165 HydrophobicContact CB-CD1 4.32Å; E161-L165 VanDerWaalsContact O-CB 3.23Å; E161-L165 WeakPolarHBondContact O-CB 3.25Å; E161-L165 WeakPolarHBondContact O-CD1 3.48Å; E161-L165 WeakPolarHBondContact O-CG 3.38Å; E161-L165 PolarHBondContact O-N 3.11Å; L165-A168 PolarHBondContact O-N 3.28Å; L165-A169 WeakPolarHBondContact O-CB 3.46Å; L165-A169 PolarHBondContact O-N 2.9Å
166L97.9Very high96.9Very high0 Ų021.1 Ų21.10%012%0.121CC..Hα-helixtrans-64.9-42.7174.2178.362.5000111.4L46 T48 L90 Y162 A169 A170 F182 L184 I220L46-L166 HydrophobicContact CD2-CD1 3.6Å; T48-L166 HydrophobicContact CG2-CD1 4.27Å; L90-L166 HydrophobicContact CD2-CB 4.37Å; Y162-L166 HydrophobicContact CE1-CD2 4.03Å; Y162-L166 WeakPolarHBondContact O-CB 3.38Å; Y162-L166 PolarHBondContact O-N 2.91Å; L166-A169 PolarHBondContact O-N 2.72Å; L166-A170 WeakPolarHBondContact O-CB 3.43Å; L166-A170 PolarHBondContact O-N 3.35Å; L166-F182 HydrophobicContact CD1-CD1 4.32Å; L166-L184 HydrophobicContact CD1-CD2 4.01Å; L166-I220 HydrophobicContact CD2-CD1 3.46Å; L166-I220 VanDerWaalsContact CD2-CD1 3.46Å
167K96.7Very high96.8Very high38 Ų3821.3 Ų21.317%0.16512%0.123CC..Hα-helixtrans-61.1-46.5174.1176.1177170.2175.40111.4D10 L13 L163 H164 A169 A170 Q171 W228D10-K167 VanDerWaalsContact CG-NZ 3.32Å; D10-K167 WeakPolarHBondContact OD1-CE 3.45Å; D10-K167 IonicContact OD1-NZ 3.64Å; D10-K167 PolarHBondContact OD1-NZ 3.03Å; L13-K167 HydrophobicContact CD2-CD 3.83Å; L163-K167 PolarHBondContact O-N 2.89Å; H164-K167 PolarHBondContact O-N 2.97Å; K167-A169 VanDerWaalsContact C-N 3.31Å; K167-A169 PolarHBondContact O-N 2.71Å; K167-A170 WeakPolarHBondContact O-CB 3.41Å; K167-A170 PolarHBondContact O-N 2.69Å; K167-Q171 WeakPolarHBondContact O-CG 3.45Å; K167-Q171 PolarHBondContact O-N 3.29Å; K167-W228 HydrophobicContact CB-CD2 4.44Å; K167-W228 HydrophobicContact CB-CE3 4.14Å; K167-W228 HydrophobicContact CB-CH2 3.92Å; K167-W228 HydrophobicContact CB-CZ2 4.23Å; K167-W228 HydrophobicContact CB-CZ3 3.87Å; K167-W228 HydrophobicContact CD-CH2 4.26Å; K167-W228 HydrophobicContact CD-CZ2 3.8Å; K167-W228 HydrophobicContact CG-CD2 4.05Å; K167-W228 HydrophobicContact CG-CE3 4.25Å; K167-W228 HydrophobicContact CG-CH2 4.15Å; K167-W228 HydrophobicContact CG-CZ2 3.92Å; K167-W228 HydrophobicContact CG-CZ3 4.3Å
168A97.3Very high96.9Very high3 Ų320.1 Ų20.13%0.02512%0.119CC..Hα-helixtrans-58.2-44.3175.300000111.7K27 M30 H164 L165 Q171 A172K27-A168 HydrophobicContact CB-CB 3.94Å; K27-A168 HydrophobicContact CD-CB 4.38Å; K27-A168 HydrophobicContact CG-CB 4.19Å; M30-A168 HydrophobicContact CE-CB 3.81Å; H164-A168 WeakPolarHBondContact O-CB 3.25Å; H164-A168 PolarHBondContact O-N 2.86Å; L165-A168 PolarHBondContact O-N 3.28Å; A168-Q171 PolarHBondContact O-N 2.87Å; A168-A172 WeakPolarHBondContact O-CB 3.33Å; A168-A172 PolarHBondContact O-N 3.14Å
169A98.3Very high97.1Very high0 Ų022.9 Ų22.90%013%0.129CC..Hα-helixtrans-63.3-42.5177.200000111.5M30 L46 L165 L166 K167 A172 L173M30-A169 VanDerWaalsContact CE-CA 3.49Å; M30-A169 HydrophobicContact CE-CB 3.83Å; M30-A169 VanDerWaalsContact CE-N 3.33Å; M30-A169 HydrophobicContact SD-CB 3.48Å; M30-A169 WeakPolarHBondContact SD-CB 3.36Å; L46-A169 HydrophobicContact CD1-CB 3.92Å; L46-A169 HydrophobicContact CD2-CB 3.57Å; L46-A169 HydrophobicContact CG-CB 4.37Å; L165-A169 WeakPolarHBondContact O-CB 3.46Å; L165-A169 PolarHBondContact O-N 2.9Å; L166-A169 PolarHBondContact O-N 2.72Å; K167-A169 VanDerWaalsContact C-N 3.31Å; K167-A169 PolarHBondContact O-N 2.71Å; A169-A172 PolarHBondContact O-N 2.69Å; A169-L173 WeakPolarHBondContact O-CB 3.49Å; A169-L173 VanDerWaalsContact O-CD1 3.32Å; A169-L173 WeakPolarHBondContact O-CD1 3.35Å; A169-L173 PolarHBondContact O-N 2.86Å
170A97.9Very high97.2Very high0 Ų022.7 Ų22.70%013%0.128CC..Hα-helixtrans-57.8-50.7176.100000112.2L166 K167 A172 L173 S174 F182 L224 W228 A229L166-A170 WeakPolarHBondContact O-CB 3.43Å; L166-A170 PolarHBondContact O-N 3.35Å; K167-A170 WeakPolarHBondContact O-CB 3.41Å; K167-A170 PolarHBondContact O-N 2.69Å; A170-A172 PolarHBondContact O-N 3.05Å; A170-L173 PolarHBondContact O-N 3.14Å; A170-S174 WeakPolarHBondContact O-CB 3.44Å; A170-S174 PolarHBondContact O-N 3.2Å; A170-F182 HydrophobicContact CB-CE1 4.18Å; A170-F182 HydrophobicContact CB-CZ 4.23Å; A170-L224 HydrophobicContact CB-CD1 3.37Å; A170-W228 HydrophobicContact CB-CB 3.56Å; A170-W228 HydrophobicContact CB-CE3 4.07Å; A170-W228 HydrophobicContact CB-CG 4.39Å; A170-A229 HydrophobicContact CB-CB 4.31Å
171Q96.3Very high97.4Very high72 Ų7221.8 Ų21.834%0.33612%0.121SC..Hα-helixtrans-62.6-41.5177.8-68.6178.2-18.600112K167 A168 S174K167-Q171 WeakPolarHBondContact O-CG 3.45Å; K167-Q171 PolarHBondContact O-N 3.29Å; A168-Q171 PolarHBondContact O-N 2.87Å; Q171-S174 WeakPolarHBondContact O-CB 3.14Å; Q171-S174 PolarHBondContact O-N 3.09Å
172A97.9Very high97.5Very high5 Ų519.2 Ų19.24%0.04111%0.109CC..Hα-helixtrans-62.7-45.4177.300000112.3M30 A31 A168 A169 A170 S174 S175M30-A172 HydrophobicContact CB-CB 3.86Å; A31-A172 HydrophobicContact CB-CB 4.03Å; A168-A172 WeakPolarHBondContact O-CB 3.33Å; A168-A172 PolarHBondContact O-N 3.14Å; A169-A172 PolarHBondContact O-N 2.69Å; A170-A172 PolarHBondContact O-N 3.05Å; A172-S174 VanDerWaalsContact C-N 3.33Å; A172-S175 PolarHBondContact O-OG 3.34Å
173L98.2Very high97.6Very high0 Ų019 Ų190%011%0.108CC..Hα-helixtrans-78.5-17.2-177.5-89.866.6000113.1A34 V44 L46 I88 A169 A170 S175 I176 A180 F182A34-L173 HydrophobicContact CB-CD1 4.37Å; V44-L173 HydrophobicContact CG1-CD2 4.38Å; L46-L173 HydrophobicContact CB-CD2 4.05Å; I88-L173 HydrophobicContact CD1-CD1 3.56Å; A169-L173 WeakPolarHBondContact O-CB 3.49Å; A169-L173 VanDerWaalsContact O-CD1 3.32Å; A169-L173 WeakPolarHBondContact O-CD1 3.35Å; A169-L173 PolarHBondContact O-N 2.86Å; A170-L173 PolarHBondContact O-N 3.14Å; L173-S175 PolarHBondContact O-N 2.78Å; L173-S175 VanDerWaalsContact O-N 3.13Å; L173-I176 WeakPolarHBondContact O-CG1 3.4Å; L173-I176 PolarHBondContact O-N 3.04Å; L173-A180 HydrophobicContact CB-CB 3.94Å; L173-A180 HydrophobicContact CD2-CB 4.08Å; L173-A180 HydrophobicContact CG-CB 4.27Å; L173-F182 HydrophobicContact CB-CE2 4.3Å; L173-F182 HydrophobicContact CB-CZ 3.91Å; L173-F182 HydrophobicContact CD2-CE2 4.29Å; L173-F182 HydrophobicContact CD2-CZ 3.99Å
174S97.2Very high97.7Very high50 Ų5019.5 Ų19.535%0.3511%0.111SC..Hα-helixtrans-53.5-33.2174.4-159.60000112.3A170 Q171 A172 I176 G177 W228A170-S174 WeakPolarHBondContact O-CB 3.44Å; A170-S174 PolarHBondContact O-N 3.2Å; Q171-S174 WeakPolarHBondContact O-CB 3.14Å; Q171-S174 PolarHBondContact O-N 3.09Å; A172-S174 VanDerWaalsContact C-N 3.33Å; S174-I176 PolarHBondContact O-N 2.85Å; S174-G177 PolarHBondContact O-N 2.88Å; S174-W228 VanDerWaalsContact CB-O 3.29Å; S174-W228 WeakPolarHBondContact CB-O 3.4Å; S174-W228 PolarHBondContact OG-O 3.27Å; S174-W228 VanDerWaalsContact OG-O 3.06Å
175S96.6Very high97.8Very high89 Ų8919.6 Ų19.662%0.62211%0.114SC*.THydrogen-bonded Turntrans-62.3-22.1178.664.60000115.1A172 L173A172-S175 PolarHBondContact O-OG 3.34Å; L173-S175 PolarHBondContact O-N 2.78Å; L173-S175 VanDerWaalsContact O-N 3.13Å
176I97.4Very high97.7Very high20 Ų2020.3 Ų20.310%0.10312%0.12CC..THydrogen-bonded Turntrans-1063.5-178.366.2163.2000112.6A34 A38 V44 L173 S174 S178 K179 A180A34-I176 HydrophobicContact CB-CD1 4.38Å; A34-I176 HydrophobicContact CB-CG2 4.16Å; A38-I176 HydrophobicContact CB-CB 4.12Å; A38-I176 HydrophobicContact CB-CG2 3.45Å; A38-I176 VanDerWaalsContact CB-CG2 3.45Å; V44-I176 HydrophobicContact CB-CD1 3.65Å; V44-I176 HydrophobicContact CG2-CD1 3.77Å; L173-I176 WeakPolarHBondContact O-CG1 3.4Å; L173-I176 PolarHBondContact O-N 3.04Å; S174-I176 PolarHBondContact O-N 2.85Å; I176-S178 PolarHBondContact O-N 3.43Å; I176-K179 WeakPolarHBondContact O-CB 3.2Å; I176-K179 PolarHBondContact O-N 3.27Å; I176-K179 VanDerWaalsContact O-N 3.13Å; I176-A180 HydrophobicContact CD1-CB 3.85Å; I176-A180 HydrophobicContact CG1-CB 3.78Å
177G97.1Very high97.6Very high7 Ų721.6 Ų21.67%0.07213%0.13CC..G310 helixtrans51.9-128.5171.700000113.5S174 K179 A180 Q231S174-G177 PolarHBondContact O-N 2.88Å; G177-K179 PolarHBondContact O-N 3.08Å; G177-A180 WeakPolarHBondContact O-CB 3.36Å; G177-A180 PolarHBondContact O-N 3.39Å; G177-Q231 CarbonylContact C-O 3.53Å
178S97.6Very high97.6Very high19 Ų1921.6 Ų21.613%0.13313%0.133CC..G310 helixtrans-65.9-5.1-177.658.40000115.3I176 A180 Q231 H310 I314I176-S178 PolarHBondContact O-N 3.43Å; S178-A180 VanDerWaalsContact C-N 3.34Å; S178-Q231 WeakPolarHBondContact CA-O 3.48Å; S178-Q231 PolarHBondContact N-O 3.26Å; S178-H310 PolarHBondContact O-NE2 3.29Å; S178-I314 WeakPolarHBondContact O-CG1 3.17Å
179K98Very high97.5Very high82 Ų8221.5 Ų21.536%0.35713%0.133SC..G310 helixtrans-84.9-9.3171.9-60.3-177.8-179.7179.70113.1V44 I176 G177V44-K179 PolarHBondContact N-O 3.44Å; V44-K179 VanDerWaalsContact N-O 3.09Å; I176-K179 WeakPolarHBondContact O-CB 3.2Å; I176-K179 PolarHBondContact O-N 3.27Å; I176-K179 VanDerWaalsContact O-N 3.13Å; G177-K179 PolarHBondContact O-N 3.08Å
180A98.7Very high97.2Very high0 Ų026 Ų260%016%0.157CC..EExtended strand (participates in β ladder)trans-86.1135.9173.800000111.4V44 L173 I176 G177 S178 F182 A232 F233V44-A180 CarbonylContact O-C 3.57Å; V44-A180 WeakPolarHBondContact O-CA 3.5Å; L173-A180 HydrophobicContact CB-CB 3.94Å; L173-A180 HydrophobicContact CD2-CB 4.08Å; L173-A180 HydrophobicContact CG-CB 4.27Å; I176-A180 HydrophobicContact CD1-CB 3.85Å; I176-A180 HydrophobicContact CG1-CB 3.78Å; G177-A180 WeakPolarHBondContact O-CB 3.36Å; G177-A180 PolarHBondContact O-N 3.39Å; S178-A180 VanDerWaalsContact C-N 3.34Å; A180-F182 HydrophobicContact CB-CE2 4.42Å; A180-A232 HydrophobicContact CB-CB 3.84Å; A180-A232 WeakPolarHBondContact O-CA 3.33Å; A180-F233 PolarHBondContact O-N 3.3Å
181M98.8Very high97.1Very high0 Ų031.1 Ų31.10%018%0.179CC..EExtended strand (participates in β ladder)trans-118.6142.8166.5176.9-176.4-75.900110.9V44 V45 L46 F80 F233 L306 H310V44-M181 PolarHBondContact O-N 3.19Å; V45-M181 CarbonylContact C-O 3.55Å; V45-M181 VanDerWaalsContact CA-O 3.3Å; V45-M181 WeakPolarHBondContact CA-O 3.36Å; V45-M181 HydrophobicContact CB-CB 4.06Å; V45-M181 HydrophobicContact CB-CG 4.47Å; V45-M181 HydrophobicContact CG2-CB 3.87Å; V45-M181 HydrophobicContact CG2-CG 3.77Å; V45-M181 HydrophobicContact CG2-SD 3.85Å; L46-M181 PolarHBondContact N-O 3.06Å; F80-M181 HydrophobicContact CE1-CE 4.38Å; F80-M181 HydrophobicContact CE1-SD 3.59Å; F80-M181 VanDerWaalsContact CE1-SD 3.59Å; F80-M181 HydrophobicContact CZ-SD 3.58Å; F80-M181 VanDerWaalsContact CZ-SD 3.58Å; M181-F233 CarbonylContact C-O 3.47Å; M181-F233 WeakPolarHBondContact CA-O 3.45Å; M181-F233 HydrophobicContact CE-CD1 3.63Å; M181-F233 HydrophobicContact CE-CE1 3.99Å; M181-F233 HydrophobicContact CE-CG 4.4Å; M181-F233 HydrophobicContact CG-CD1 4.1Å; M181-L306 HydrophobicContact CE-CB 4.31Å; M181-H310 HydrophobicContact CE-CB 3.39Å
182F98.9Very high97Very high0 Ų028 Ų280%016%0.164CC..EExtended strand (participates in β ladder)trans-110.8119.3167.1-68.5-101.8000108.9L46 L166 A170 L173 A180 L184 L224 A229 A232 F233 V234 T235L46-F182 HydrophobicContact CB-CD1 4.12Å; L46-F182 HydrophobicContact CB-CE1 4.24Å; L46-F182 HydrophobicContact CD2-CD1 3.56Å; L46-F182 HydrophobicContact CD2-CE1 3.54Å; L46-F182 HydrophobicContact CG-CD1 4.43Å; L166-F182 HydrophobicContact CD1-CD1 4.32Å; A170-F182 HydrophobicContact CB-CE1 4.18Å; A170-F182 HydrophobicContact CB-CZ 4.23Å; L173-F182 HydrophobicContact CB-CE2 4.3Å; L173-F182 HydrophobicContact CB-CZ 3.91Å; L173-F182 HydrophobicContact CD2-CE2 4.29Å; L173-F182 HydrophobicContact CD2-CZ 3.99Å; A180-F182 HydrophobicContact CB-CE2 4.42Å; F182-L184 HydrophobicContact CB-CD2 4.07Å; F182-L184 HydrophobicContact CB-CG 4.21Å; F182-L184 HydrophobicContact CD1-CD2 4.38Å; F182-L224 HydrophobicContact CD1-CD1 4.09Å; F182-L224 HydrophobicContact CD1-CD2 4.34Å; F182-L224 HydrophobicContact CE1-CD1 3.96Å; F182-L224 HydrophobicContact CZ-CD1 4.4Å; F182-A229 HydrophobicContact CE2-CB 3.79Å; F182-A229 HydrophobicContact CZ-CB 4Å; F182-A232 HydrophobicContact CD2-CB 3.72Å; F182-A232 HydrophobicContact CE2-CB 3.52Å; F182-F233 PolarHBondContact N-O 2.81Å; F182-V234 HydrophobicContact CB-CB 4.47Å; F182-V234 HydrophobicContact CB-CG1 4.27Å; F182-V234 HydrophobicContact CB-CG2 4.21Å; F182-V234 HydrophobicContact CD2-CG2 4.02Å; F182-V234 HydrophobicContact CG-CG2 4.34Å; F182-T235 WeakPolarHBondContact O-CA 3.29Å; F182-T235 WeakPolarHBondContact O-CB 3.36Å; F182-T235 PolarHBondContact O-N 2.78Å
183Y98.8Very high96.8Very high0 Ų028.7 Ų28.70%017%0.167CC..EExtended strand (participates in β ladder)trans-112.692.5176.5-177.9-91.3000108.8L46 I47 T48 S76 F80 A185 T235 F237 I302 L306L46-Y183 PolarHBondContact O-N 3.48Å; I47-Y183 WeakPolarHBondContact CA-O 3.42Å; I47-Y183 HydrophobicContact CB-CD1 4.42Å; I47-Y183 HydrophobicContact CG1-CD1 4.08Å; I47-Y183 HydrophobicContact CG1-CG 4.41Å; I47-Y183 HydrophobicContact CG2-CD1 3.97Å; T48-Y183 PolarHBondContact N-O 3.19Å; S76-Y183 WeakPolarHBondContact OG-CE1 3.24Å; S76-Y183 VanDerWaalsContact OG-CZ 3.31Å; S76-Y183 PolarHBondContact OG-OH 3.01Å; F80-Y183 HydrophobicContact CE2-CD1 4.44Å; F80-Y183 AromaticContact CE2-CD2 3.73Å; F80-Y183 HydrophobicContact CE2-CD2 3.73Å; F80-Y183 HydrophobicContact CE2-CE2 4.06Å; F80-Y183 AromaticContact CE2-CG 3.92Å; F80-Y183 HydrophobicContact CE2-CG 3.92Å; F80-Y183 AromaticContact CZ-CD2 3.94Å; F80-Y183 HydrophobicContact CZ-CD2 3.94Å; F80-Y183 HydrophobicContact CZ-CE2 4.41Å; F80-Y183 HydrophobicContact CZ-CG 4.43Å; Y183-A185 HydrophobicContact CD1-CB 3.95Å; Y183-A185 HydrophobicContact CE1-CB 3.62Å; Y183-A185 PolarHBondContact O-N 3.12Å; Y183-A185 VanDerWaalsContact O-N 3.13Å; Y183-T235 HydrophobicContact CD2-CG2 4.47Å; Y183-F237 HydrophobicContact CD1-CE2 4.12Å; Y183-F237 AromaticContact CD2-CE2 3.9Å; Y183-F237 HydrophobicContact CD2-CE2 3.9Å; Y183-F237 HydrophobicContact CD2-CZ 4.25Å; Y183-F237 AromaticContact CE1-CE2 3.8Å; Y183-F237 HydrophobicContact CE1-CE2 3.8Å; Y183-F237 AromaticContact CE1-CZ 3.89Å; Y183-F237 HydrophobicContact CE1-CZ 3.89Å; Y183-F237 AromaticContact CE2-CE2 3.52Å; Y183-F237 HydrophobicContact CE2-CE2 3.52Å; Y183-F237 AromaticContact CE2-CZ 3.41Å; Y183-F237 HydrophobicContact CE2-CZ 3.41Å; Y183-F237 VanDerWaalsContact CE2-CZ 3.41Å; Y183-F237 HydrophobicContact CG-CE2 4.2Å; Y183-F237 AromaticContact CZ-CE2 3.5Å; Y183-F237 VanDerWaalsContact CZ-CE2 3.5Å; Y183-F237 AromaticContact CZ-CZ 3.21Å; Y183-F237 WeakPolarHBondContact OH-CZ 3.5Å; Y183-I302 HydrophobicContact CE2-CG2 3.99Å; Y183-L306 HydrophobicContact CD2-CD1 3.71Å; Y183-L306 HydrophobicContact CE2-CD1 3.62Å
184L98.4Very high96.4Very high12 Ų1228.8 Ų28.86%0.06317%0.168CC..EExtended strand (participates in β ladder)trans-92.268.1-164.4-55.6178.2000112.5T48 L166 F182 L221 L224 V234 T235 F237T48-L184 HydrophobicContact CG2-CD2 3.74Å; T48-L184 VanDerWaalsContact OG1-C 3.29Å; T48-L184 VanDerWaalsContact OG1-CA 3.25Å; T48-L184 WeakPolarHBondContact OG1-CA 3.23Å; L166-L184 HydrophobicContact CD1-CD2 4.01Å; F182-L184 HydrophobicContact CB-CD2 4.07Å; F182-L184 HydrophobicContact CB-CG 4.21Å; F182-L184 HydrophobicContact CD1-CD2 4.38Å; L184-L221 HydrophobicContact CD1-CD2 3.23Å; L184-L224 HydrophobicContact CD1-CD2 3.71Å; L184-V234 HydrophobicContact CD1-CG1 4.12Å; L184-T235 WeakPolarHBondContact CB-O 3.2Å; L184-T235 WeakPolarHBondContact CG-O 3.49Å; L184-T235 PolarHBondContact N-O 2.72Å; L184-F237 WeakPolarHBondContact O-CD2 3.49Å
185A97.5Very high95.8Very high15 Ų1529.4 Ų29.412%0.12418%0.176CC..  trans-90.88.5-175.800000115.4T48 Y183 F237T48-A185 CarbonylContact O-C 3.51Å; T48-A185 WeakPolarHBondContact O-CA 3.42Å; T48-A185 WeakPolarHBondContact O-CB 3.43Å; T48-A185 PolarHBondContact O-N 3.44Å; T48-A185 PolarHBondContact OG1-N 2.6Å; T48-A185 VanDerWaalsContact OG1-N 3.12Å; Y183-A185 HydrophobicContact CD1-CB 3.95Å; Y183-A185 HydrophobicContact CE1-CB 3.62Å; Y183-A185 PolarHBondContact O-N 3.12Å; Y183-A185 VanDerWaalsContact O-N 3.13Å; A185-F237 HydrophobicContact CB-CD2 3.83Å; A185-F237 HydrophobicContact CB-CE2 3.83Å; A185-F237 HydrophobicContact CB-CG 4.31Å; A185-F237 HydrophobicContact CB-CZ 4.3Å
186A97Very high95.4Very high15 Ų1530.4 Ų30.412%0.12418%0.183CC..SBendtrans-76.1146178.500000111.3T48 G50 F156 Y162 V188T48-A186 PolarHBondContact O-N 2.86Å; T48-A186 VanDerWaalsContact O-N 3.08Å; T48-A186 WeakPolarHBondContact OG1-CB 3.49Å; T48-A186 PolarHBondContact OG1-N 3.49Å; G50-A186 CarbonylContact O-C 3.49Å; G50-A186 VanDerWaalsContact O-CA 3.29Å; G50-A186 WeakPolarHBondContact O-CA 3.45Å; G50-A186 WeakPolarHBondContact O-CB 3.36Å; F156-A186 HydrophobicContact CZ-CB 4.45Å; Y162-A186 HydrophobicContact CE2-CB 3.87Å; A186-V188 HydrophobicContact CB-CG2 4.28Å; A186-V188 PolarHBondContact O-N 3.48Å
187A95.3Very high95Very high26 Ų2634 Ų3422%0.21520%0.199CC..BIsolated β-bridgetrans-8587.9170.800000109G50 T52 N66G50-A187 PolarHBondContact O-N 3.26Å; T52-A187 PolarHBondContact N-O 2.87Å; T52-A187 PolarHBondContact OG1-O 3.11Å; N66-A187 HydrophobicContact CB-CB 3.99Å; N66-A187 WeakPolarHBondContact CB-O 3.43Å
188V95.9Very high94.6Very high38 Ų3835.5 Ų35.523%0.2321%0.205CC..  trans-79.3136.2-179.6-170.10000109.5T52 N66 L159 Y162 A186T52-V188 WeakPolarHBondContact OG1-CA 3.49Å; N66-V188 PolarHBondContact ND2-O 3.15Å; N66-V188 VanDerWaalsContact ND2-O 3.1Å; L159-V188 HydrophobicContact CD1-CG1 3.55Å; Y162-V188 HydrophobicContact CD1-CG1 4.07Å; Y162-V188 HydrophobicContact CD1-CG2 4.13Å; Y162-V188 HydrophobicContact CE1-CB 4.27Å; Y162-V188 HydrophobicContact CE1-CG1 3.83Å; Y162-V188 HydrophobicContact CE1-CG2 3.36Å; Y162-V188 HydrophobicContact CE2-CG2 4.25Å; Y162-V188 VanDerWaalsContact CZ-CG2 3.42Å; Y162-V188 WeakPolarHBondContact OH-CG2 3.22Å; A186-V188 HydrophobicContact CB-CG2 4.28Å; A186-V188 PolarHBondContact O-N 3.48Å
189S95.3Very high94.3Very high2 Ų237.1 Ų37.11%0.01422%0.215CC..  trans-65.9134.2176.8-59.50000110T52 V54 V217T52-S189 PolarHBondContact O-OG 3.41Å; T52-S189 PolarHBondContact OG1-N 3.41Å; T52-S189 PolarHBondContact OG1-OG 3.36Å; V54-S189 WeakPolarHBondContact CG2-OG 3.35Å; S189-V217 VanDerWaalsContact O-CG2 3.26Å; S189-V217 WeakPolarHBondContact O-CG2 3.04Å
190D92.9Very high94.1Very high95 Ų9537.9 Ų37.951%0.50822%0.219SC..SBendtrans-84.5-17.6175.5-75.1-63.4000112.7M216 V217D190-M216 WeakPolarHBondContact O-CA 3.18Å; D190-V217 PolarHBondContact O-N 3.29Å
191F95.1Very high93.8Very high107 Ų10743 Ų4347%0.46924%0.243SC..EExtended strand (participates in β ladder)trans-127.5149.1-177.5-55.7-78.8000111.1V54 M214 K215 M216V54-F191 WeakPolarHBondContact CG2-O 3.25Å; F191-M214 HydrophobicContact CB-CB 3.92Å; F191-M214 HydrophobicContact CB-CE 4Å; F191-M214 HydrophobicContact CB-SD 4.09Å; F191-K215 CarbonylContact C-O 3.59Å; F191-K215 WeakPolarHBondContact CA-O 3.38Å; F191-M216 HydrophobicContact CD1-CG 4.21Å; F191-M216 HydrophobicContact CE1-CG 3.93Å
192Y95.1Very high93.6Very high7 Ų748 Ų483%0.02727%0.265CS..EExtended strand (participates in β ladder)trans-148.8166.3177.378.2-65.9000112.1E16 F17 L159 P194 M214 K215 M216 V217E16-Y192 HydrophobicContact CB-CE2 4.22Å; E16-Y192 PolarHBondContact OE2-OH 3.48Å; F17-Y192 HydrophobicContact CD1-CD2 4.4Å; F17-Y192 AromaticContact CE1-CD2 3.48Å; F17-Y192 HydrophobicContact CE1-CD2 3.48Å; F17-Y192 VanDerWaalsContact CE1-CD2 3.48Å; F17-Y192 AromaticContact CE1-CE2 3.88Å; F17-Y192 HydrophobicContact CE1-CE2 3.88Å; F17-Y192 AromaticContact CE1-CG 3.87Å; F17-Y192 HydrophobicContact CE1-CG 3.87Å; F17-Y192 HydrophobicContact CE2-CD2 4.46Å; F17-Y192 HydrophobicContact CE2-CE2 4.05Å; F17-Y192 HydrophobicContact CZ-CD1 4.05Å; F17-Y192 AromaticContact CZ-CD2 3.52Å; F17-Y192 HydrophobicContact CZ-CD2 3.52Å; F17-Y192 HydrophobicContact CZ-CE1 4.07Å; F17-Y192 AromaticContact CZ-CE2 3.52Å; F17-Y192 HydrophobicContact CZ-CE2 3.52Å; F17-Y192 AromaticContact CZ-CG 3.82Å; F17-Y192 HydrophobicContact CZ-CG 3.82Å; F17-Y192 AromaticContact CZ-CZ 3.83Å; L159-Y192 HydrophobicContact CD2-CG 4.39Å; Y192-P194 HydrophobicContact CE2-CB 4.2Å; Y192-P194 HydrophobicContact CE2-CG 3.91Å; Y192-M214 CarbonylContact O-C 3.47Å; Y192-M214 WeakPolarHBondContact O-CA 3.37Å; Y192-K215 HydrophobicContact CD1-CB 4.21Å; Y192-K215 VanDerWaalsContact CD1-O 3.3Å; Y192-K215 WeakPolarHBondContact CD1-O 3.46Å; Y192-K215 HydrophobicContact CE1-CB 3.62Å; Y192-K215 PolarHBondContact N-O 2.91Å; Y192-K215 PolarHBondContact O-N 3.21Å; Y192-M216 WeakPolarHBondContact CE1-O 3.39Å; Y192-V217 HydrophobicContact CD1-CG2 3.7Å; Y192-V217 HydrophobicContact CG-CG2 4.24Å
193I92.9Very high93.2Very high18 Ų1850 Ų509%0.09228%0.275CS..  trans-106.9120.9169.9-58.8178.4000107.3L56 E197 M198 M214L56-I193 HydrophobicContact CD2-CD1 3.9Å; I193-E197 HydrophobicContact CG2-CB 4.3Å; I193-M198 HydrophobicContact CB-CE 4.16Å; I193-M198 HydrophobicContact CG2-CB 4.22Å; I193-M198 HydrophobicContact CG2-CE 4.4Å; I193-M198 WeakPolarHBondContact O-CE 3.46Å; I193-M214 HydrophobicContact CG1-CE 4.32Å; I193-M214 HydrophobicContact CG1-CG 4.09Å
194P89.5Confident92.8Very high3 Ų355.5 Ų55.52%0.01930%0.301CS..  trans-58.7146.7176.6-23.533.2000112.1Y192 S196 E197 M198 K215Y192-P194 HydrophobicContact CE2-CB 4.2Å; Y192-P194 HydrophobicContact CE2-CG 3.91Å; P194-S196 PolarHBondContact O-N 2.65Å; P194-S196 VanDerWaalsContact O-N 3.16Å; P194-E197 PolarHBondContact O-N 2.52Å; P194-M198 PolarHBondContact O-N 2.88Å; P194-K215 HydrophobicContact CG-CD 3.55Å; P194-K215 HydrophobicContact CG-CG 4.06Å
195A85.8Confident92.3Very high63 Ų6360 Ų6052%0.52133%0.334SS..G310 helixtrans-56.1-34.617900000112.9E197 M198A195-E197 VanDerWaalsContact C-N 3.26Å; A195-E197 PolarHBondContact O-N 2.94Å; A195-M198 PolarHBondContact O-N 3.39Å
196S86.3Confident91.7Very high109 Ų10963.8 Ų63.876%0.76236%0.359SS*.G310 helixtrans-68.4-20177.359.50000114.6P194P194-S196 PolarHBondContact O-N 2.65Å; P194-S196 VanDerWaalsContact O-N 3.16Å
197E89.8Confident90.9Very high96 Ų9669.7 Ų69.745%0.44939%0.388SS..G310 helixtrans-107-4.4-177.7-68.7170.1-152.800111.9I193 P194 A195 K215I193-E197 HydrophobicContact CG2-CB 4.3Å; P194-E197 PolarHBondContact O-N 2.52Å; A195-E197 VanDerWaalsContact C-N 3.26Å; A195-E197 PolarHBondContact O-N 2.94Å; E197-K215 WeakPolarHBondContact OE1-CE 3.4Å; E197-K215 IonicContact OE1-NZ 2.72Å; E197-K215 PolarHBondContact OE1-NZ 3.13Å
198M89.4Confident90.4Very high38 Ų3870.8 Ų70.819%0.18740%0.402CS..SBendtrans-82.8126.4-174-166.4174.1-6700110.9P55 S58 I193 P194 A195P55-M198 HydrophobicContact CB-CE 4.12Å; P55-M198 HydrophobicContact CB-SD 4.03Å; P55-M198 WeakPolarHBondContact O-CE 3.41Å; S58-M198 PolarHBondContact N-SD 3.26Å; S58-M198 VanDerWaalsContact N-SD 3.42Å; I193-M198 HydrophobicContact CB-CE 4.16Å; I193-M198 HydrophobicContact CG2-CB 4.22Å; I193-M198 HydrophobicContact CG2-CE 4.4Å; I193-M198 WeakPolarHBondContact O-CE 3.46Å; P194-M198 PolarHBondContact O-N 2.88Å; A195-M198 PolarHBondContact O-N 3.39Å
199P91.7Very high90.1Very high54 Ų5474.6 Ų74.635%0.35143%0.428SS..  trans-63142173.626-33.7000110.6L56 E57 S58 I203L56-P199 WeakPolarHBondContact O-CD 3.37Å; L56-P199 WeakPolarHBondContact O-CG 3.46Å; E57-P199 CarbonylContact C-O 3.55Å; E57-P199 VanDerWaalsContact CA-O 3.25Å; E57-P199 WeakPolarHBondContact CA-O 3.31Å; E57-P199 HydrophobicContact CG-CG 4.12Å; S58-P199 PolarHBondContact N-O 3.05Å; P199-I203 HydrophobicContact CG-CD1 4.14Å; P199-I203 HydrophobicContact CG-CG1 3.9Å
200E92.4Very high89.8Confident97 Ų9779.1 Ų79.145%0.45345%0.452SS..SBendtrans-69.2-40.8-179.2-170.6-175.9163.700112S58 R59S58-E200 VanDerWaalsContact OG-CA 3.3Å; S58-E200 WeakPolarHBondContact OG-CA 3.44Å; S58-E200 WeakPolarHBondContact OG-CG 3.33Å; S58-E200 PolarHBondContact OG-O 3.48Å; R59-E200 VanDerWaalsContact CB-O 3.25Å; R59-E200 WeakPolarHBondContact CB-O 3.49Å; R59-E200 HydrophobicContact CG-CG 4.36Å; R59-E200 WeakPolarHBondContact CG-O 3.3Å; R59-E200 IonicContact CZ-OE1 3.27Å; R59-E200 VanDerWaalsContact CZ-OE1 3.27Å; R59-E200 PolarHBondContact N-O 3.13Å; R59-E200 IonicContact NE-OE1 3.06Å; R59-E200 PolarHBondContact NE-OE1 2.86Å; R59-E200 IonicContact NH2-OE1 2.75Å; R59-E200 PolarHBondContact NH2-OE1 2.92Å
201H93.8Very high89.7Confident108 Ų10882.9 Ų82.950%0.547%0.466SS..SBendtrans-111.4159.7-171.6-59.9-45.2000112.3I203H201-I203 PolarHBondContact O-N 2.83Å
202K94Very high89.5Confident104 Ų10481.7 Ų81.745%0.45246%0.464SS..  trans-42.8123.8175.9-179-175.6175.6-175.40111.1V61 Q204V61-K202 HydrophobicContact CB-CG 4.34Å; V61-K202 HydrophobicContact CG1-CD 4.32Å; V61-K202 HydrophobicContact CG1-CG 4.4Å; V61-K202 HydrophobicContact CG2-CB 4.11Å; V61-K202 HydrophobicContact CG2-CD 4.5Å; V61-K202 HydrophobicContact CG2-CG 4.32Å; K202-Q204 PolarHBondContact O-N 3.37Å
203I90.1Very high89.4Confident42 Ų4286.2 Ų86.222%0.21550%0.497CS..  trans-63.9125.5176.6-58163.3000108.9L56 E57 R62 P199 H201 L210L56-I203 HydrophobicContact CB-CD1 4.34Å; E57-I203 HydrophobicContact CG-CD1 4.15Å; E57-I203 HydrophobicContact CG-CG1 3.85Å; E57-I203 PolarHBondContact OE1-N 2.81Å; E57-I203 VanDerWaalsContact OE1-N 3.13Å; R62-I203 PolarHBondContact NH1-O 2.85Å; R62-I203 PolarHBondContact NH2-O 2.85Å; P199-I203 HydrophobicContact CG-CD1 4.14Å; P199-I203 HydrophobicContact CG-CG1 3.9Å; H201-I203 PolarHBondContact O-N 2.83Å; I203-L210 HydrophobicContact CD1-CD1 4.35Å; I203-L210 HydrophobicContact CG2-CD1 3.91Å
204Q90.7Very high89.5Confident116 Ų11687.8 Ų87.854%0.54250%0.504SS..  trans-79.6137.6-176.3-61.1-61.6-19.900111.4K202 S206K202-Q204 PolarHBondContact O-N 3.37Å; Q204-S206 VanDerWaalsContact C-N 3.34Å
205S86.8Confident89.8Confident107 Ų10791.8 Ų91.875%0.74852%0.521SS*.G310 helixtrans-85.2-3-177.853.60000114.3N207S205-N207 VanDerWaalsContact C-N 3.29Å; S205-N207 PolarHBondContact O-N 2.91Å
206S86Confident90.1Very high94 Ų9494.6 Ų94.666%0.65753%0.525SS*.G310 helixtrans-75.1-15.3-17950.50000114Q204 G208Q204-S206 VanDerWaalsContact C-N 3.34Å; S206-G208 PolarHBondContact O-N 2.99Å
207N79.2Confident90.4Very high139 Ų13990 Ų9074%0.74349%0.492SS*.G310 helixtrans-97.220.4-165.8-61.3-7.2000113.4S205S205-N207 VanDerWaalsContact C-N 3.29Å; S205-N207 PolarHBondContact O-N 2.91Å
208G86.6Confident90.3Very high49 Ų4986.8 Ų86.851%0.50548%0.48SS..SBendtrans89.3-161.2-178.400000113.9S206S206-G208 PolarHBondContact O-N 2.99Å
209P89.4Confident90.1Very high118 Ų11889.6 Ų89.677%0.76649%0.491SS*.SBendtrans-65.8140.8-175.627.1-33.9000112.2
210L89.4Confident90Very high98 Ų9887.9 Ų87.951%0.51348%0.479SS..  trans-79.7121.3177.6179.961.9000110.7I203 L212I203-L210 HydrophobicContact CD1-CD1 4.35Å; I203-L210 HydrophobicContact CG2-CD1 3.91Å; L210-L212 HydrophobicContact CD1-CD2 4.01Å; L210-L212 HydrophobicContact CD2-CD1 4.42Å; L210-L212 HydrophobicContact CD2-CD2 4.25Å; L210-L212 HydrophobicContact CD2-CG 4.31Å; L210-L212 HydrophobicContact CG-CD2 4.14Å; L210-L212 HydrophobicContact CG-CG 4.15Å
211Q90.7Very high89.7Confident173 Ų17384.7 Ų84.781%0.80847%0.465SS*.  trans-110.4129.8169-63.1-17811.900109.2
212L90.9Very high89.4Confident83 Ų8380.8 Ų80.844%0.43545%0.45SS..  trans-114.2127.6178.8-64174.9000109.4L56 L210L56-L212 HydrophobicContact CD1-CD1 3.98Å; L56-L212 HydrophobicContact CD2-CD1 4.1Å; L210-L212 HydrophobicContact CD1-CD2 4.01Å; L210-L212 HydrophobicContact CD2-CD1 4.42Å; L210-L212 HydrophobicContact CD2-CD2 4.25Å; L210-L212 HydrophobicContact CD2-CG 4.31Å; L210-L212 HydrophobicContact CG-CD2 4.14Å; L210-L212 HydrophobicContact CG-CG 4.15Å
213S92.9Very high89.3Confident102 Ų10275.9 Ų75.971%0.71343%0.428SS*.  trans-104.1130.1168.6-174.10000108.5
214M94.9Very high89.4Confident51 Ų5173.9 Ų73.925%0.25142%0.418SS..  trans-133146.3-176.7-56.2-176.380.100110.5V54 L64 F191 Y192 I193V54-M214 HydrophobicContact CB-CE 4.5Å; V54-M214 HydrophobicContact CG1-CE 3.92Å; L64-M214 HydrophobicContact CD2-CE 3.77Å; L64-M214 HydrophobicContact CD2-SD 4.06Å; F191-M214 HydrophobicContact CB-CB 3.92Å; F191-M214 HydrophobicContact CB-CE 4Å; F191-M214 HydrophobicContact CB-SD 4.09Å; Y192-M214 CarbonylContact O-C 3.47Å; Y192-M214 WeakPolarHBondContact O-CA 3.37Å; I193-M214 HydrophobicContact CG1-CE 4.32Å; I193-M214 HydrophobicContact CG1-CG 4.09Å
215K94.1Very high89.5Confident86 Ų8669.1 Ų69.137%0.37440%0.397SS..EExtended strand (participates in β ladder)trans-94.4154.9174.9-63-166.3-171169.10110.9F191 Y192 P194 E197F191-K215 CarbonylContact C-O 3.59Å; F191-K215 WeakPolarHBondContact CA-O 3.38Å; Y192-K215 HydrophobicContact CD1-CB 4.21Å; Y192-K215 VanDerWaalsContact CD1-O 3.3Å; Y192-K215 WeakPolarHBondContact CD1-O 3.46Å; Y192-K215 HydrophobicContact CE1-CB 3.62Å; Y192-K215 PolarHBondContact N-O 2.91Å; Y192-K215 PolarHBondContact O-N 3.21Å; P194-K215 HydrophobicContact CG-CD 3.55Å; P194-K215 HydrophobicContact CG-CG 4.06Å; E197-K215 WeakPolarHBondContact OE1-CE 3.4Å; E197-K215 IonicContact OE1-NZ 2.72Å; E197-K215 PolarHBondContact OE1-NZ 3.13Å
216M93.6Very high89.7Confident122 Ų12269.7 Ų69.760%0.60139%0.386SS*.EExtended strand (participates in β ladder)trans-73.1136.5173.4-73.2-178.457.800111.4D190 F191 Y192D190-M216 WeakPolarHBondContact O-CA 3.18Å; F191-M216 HydrophobicContact CD1-CG 4.21Å; F191-M216 HydrophobicContact CE1-CG 3.93Å; Y192-M216 WeakPolarHBondContact CE1-O 3.39Å
217V91.5Very high90Very high12 Ų1269.6 Ų69.67%0.07338%0.378CS..PPolyproline II helixtrans-67.1135.6175.2177.60000110.5L159 L163 S189 D190 Y192L159-V217 HydrophobicContact CD1-CG1 4.49Å; L159-V217 HydrophobicContact CD2-CG1 4.4Å; L159-V217 HydrophobicContact CD2-CG2 3.45Å; L159-V217 VanDerWaalsContact CD2-CG2 3.45Å; L163-V217 HydrophobicContact CD1-CG1 4.33Å; S189-V217 VanDerWaalsContact O-CG2 3.26Å; S189-V217 WeakPolarHBondContact O-CG2 3.04Å; D190-V217 PolarHBondContact O-N 3.29Å; Y192-V217 HydrophobicContact CD1-CG2 3.7Å; Y192-V217 HydrophobicContact CG-CG2 4.24Å
218P87.3Confident90.8Very high30 Ų3063.5 Ų63.520%0.19535%0.345CS..PPolyproline II helixtrans-54.6145.4174.6-26.634.8000112.5F17 I220F17-P218 HydrophobicContact CE2-CG 4.4Å; P218-I220 VanDerWaalsContact C-N 3.31Å; P218-I220 PolarHBondContact O-N 3.07Å
219K86.9Confident91.3Very high97 Ų9761.2 Ų61.242%0.42232%0.321SS..  trans-7778.2-177.6-61.1-52.7-174-167.60112.2L221 S222 P223 Y257K219-L221 VanDerWaalsContact C-N 3.26Å; K219-L221 PolarHBondContact O-N 2.91Å; K219-S222 PolarHBondContact O-N 3.44Å; K219-P223 VanDerWaalsContact O-CD 3.27Å; K219-P223 WeakPolarHBondContact O-CD 3.29Å; K219-Y257 HydrophobicContact CB-CE1 4.11Å
220I87.8Confident91.6Very high18 Ų1859 Ų599%0.09231%0.306CS..THydrogen-bonded Turntrans-63.7-18.2-174.254.9141.9000116.1Y162 L163 L166 P218 S222 P223 L224Y162-I220 HydrophobicContact CE1-CD1 4.1Å; L163-I220 HydrophobicContact CD2-CB 4.39Å; L163-I220 HydrophobicContact CD2-CD1 3.7Å; L163-I220 HydrophobicContact CD2-CG1 4.1Å; L163-I220 HydrophobicContact CD2-CG2 3.7Å; L166-I220 HydrophobicContact CD2-CD1 3.46Å; L166-I220 VanDerWaalsContact CD2-CD1 3.46Å; P218-I220 VanDerWaalsContact C-N 3.31Å; P218-I220 PolarHBondContact O-N 3.07Å; I220-S222 VanDerWaalsContact C-N 3.28Å; I220-S222 PolarHBondContact O-N 3.27Å; I220-P223 VanDerWaalsContact O-CD 3.25Å; I220-P223 WeakPolarHBondContact O-CD 3.49Å; I220-P223 VanDerWaalsContact O-CG 3.28Å; I220-P223 WeakPolarHBondContact O-CG 3.43Å; I220-L224 WeakPolarHBondContact O-CB 3.48Å; I220-L224 PolarHBondContact O-N 2.88Å; I220-L224 VanDerWaalsContact O-N 3.14Å
221L86.4Confident91.9Very high30 Ų3057.7 Ų57.716%0.15730%0.298CS..Hα-helixtrans-65.7-32.5175.9-69.4-178.6000112.5L184 K219 L224 V225 Y257L184-L221 HydrophobicContact CD1-CD2 3.23Å; K219-L221 VanDerWaalsContact C-N 3.26Å; K219-L221 PolarHBondContact O-N 2.91Å; L221-L224 HydrophobicContact CD2-CD2 4.2Å; L221-V225 VanDerWaalsContact O-CG2 3.25Å; L221-V225 WeakPolarHBondContact O-CG2 3.45Å; L221-V225 PolarHBondContact O-N 3.35Å; L221-V225 VanDerWaalsContact O-N 3.15Å; L221-Y257 HydrophobicContact CB-CD1 3.69Å; L221-Y257 HydrophobicContact CB-CD2 4.11Å; L221-Y257 HydrophobicContact CB-CE1 4.14Å; L221-Y257 HydrophobicContact CB-CG 3.69Å; L221-Y257 HydrophobicContact CD1-CD2 3.64Å; L221-Y257 HydrophobicContact CD1-CE2 3.76Å; L221-Y257 HydrophobicContact CD1-CG 4.11Å
222S88.6Confident92.3Very high26 Ų2649.7 Ų49.718%0.18226%0.261CS..Hα-helixtrans-65.6-52.4179.1-155.90000112.9K219 I220 L224 V225 K226K219-S222 PolarHBondContact O-N 3.44Å; I220-S222 VanDerWaalsContact C-N 3.28Å; I220-S222 PolarHBondContact O-N 3.27Å; S222-L224 VanDerWaalsContact C-N 3.3Å; S222-L224 PolarHBondContact O-N 3.08Å; S222-V225 PolarHBondContact O-N 3.1Å; S222-K226 WeakPolarHBondContact O-CB 3.26Å; S222-K226 WeakPolarHBondContact O-CG 3.44Å; S222-K226 PolarHBondContact O-N 3.37Å; S222-K226 PolarHBondContact OG-NZ 3.39Å
223P91.7Very high92.6Very high0 Ų046 Ų460%024%0.242CC..Hα-helixtrans-66.8-31.1176.127-35.8000112.4I9 K219 I220 V225 K226 D227 W228I9-P223 HydrophobicContact CB-CG 4.5Å; I9-P223 HydrophobicContact CD1-CB 4.17Å; I9-P223 HydrophobicContact CD1-CG 3.76Å; I9-P223 HydrophobicContact CG2-CG 4.08Å; K219-P223 VanDerWaalsContact O-CD 3.27Å; K219-P223 WeakPolarHBondContact O-CD 3.29Å; I220-P223 VanDerWaalsContact O-CD 3.25Å; I220-P223 WeakPolarHBondContact O-CD 3.49Å; I220-P223 VanDerWaalsContact O-CG 3.28Å; I220-P223 WeakPolarHBondContact O-CG 3.43Å; P223-V225 VanDerWaalsContact C-N 3.33Å; P223-V225 PolarHBondContact O-N 3.18Å; P223-K226 PolarHBondContact O-N 2.95Å; P223-D227 WeakPolarHBondContact CA-OD2 3.4Å; P223-D227 WeakPolarHBondContact O-CA 3.3Å; P223-D227 WeakPolarHBondContact O-CB 3.18Å; P223-D227 PolarHBondContact O-N 3.37Å; P223-W228 HydrophobicContact CB-CD2 4.36Å; P223-W228 HydrophobicContact CB-CH2 4.48Å; P223-W228 HydrophobicContact CB-CZ2 3.98Å; P223-W228 HydrophobicContact CG-CH2 4.1Å; P223-W228 HydrophobicContact CG-CZ2 4.03Å; P223-W228 PolarHBondContact O-N 3.48Å
224L92.6Very high92.9Very high0 Ų041.2 Ų41.20%021%0.208CC..Iπ-helixtrans-55.1-49.5173.2177.166.5000111.6A170 F182 L184 I220 L221 S222 W228 A229 V234A170-L224 HydrophobicContact CB-CD1 3.37Å; F182-L224 HydrophobicContact CD1-CD1 4.09Å; F182-L224 HydrophobicContact CD1-CD2 4.34Å; F182-L224 HydrophobicContact CE1-CD1 3.96Å; F182-L224 HydrophobicContact CZ-CD1 4.4Å; L184-L224 HydrophobicContact CD1-CD2 3.71Å; I220-L224 WeakPolarHBondContact O-CB 3.48Å; I220-L224 PolarHBondContact O-N 2.88Å; I220-L224 VanDerWaalsContact O-N 3.14Å; L221-L224 HydrophobicContact CD2-CD2 4.2Å; S222-L224 VanDerWaalsContact C-N 3.3Å; S222-L224 PolarHBondContact O-N 3.08Å; L224-W228 HydrophobicContact CB-CE3 4.09Å; L224-W228 HydrophobicContact CD1-CE3 4.15Å; L224-A229 PolarHBondContact O-N 2.98Å; L224-V234 HydrophobicContact CD2-CG1 4.06Å
225V92.3Very high93Very high17 Ų1738.8 Ų38.810%0.10320%0.196CC..Iπ-helixtrans-79.8-31.5-175.7177.20000112.5L221 S222 P223 P230 V234 Y257 R258 H259L221-V225 VanDerWaalsContact O-CG2 3.25Å; L221-V225 WeakPolarHBondContact O-CG2 3.45Å; L221-V225 PolarHBondContact O-N 3.35Å; L221-V225 VanDerWaalsContact O-N 3.15Å; S222-V225 PolarHBondContact O-N 3.1Å; P223-V225 VanDerWaalsContact C-N 3.33Å; P223-V225 PolarHBondContact O-N 3.18Å; V225-P230 VanDerWaalsContact O-CA 3.25Å; V225-P230 WeakPolarHBondContact O-CA 3.39Å; V225-V234 HydrophobicContact CG2-CB 4.17Å; V225-V234 HydrophobicContact CG2-CG1 4.09Å; V225-V234 HydrophobicContact CG2-CG2 4.12Å; V225-Y257 WeakPolarHBondContact CG1-O 3.23Å; V225-R258 WeakPolarHBondContact CG1-O 3.3Å; V225-H259 HydrophobicContact CG2-CB 3.84Å
226K91.7Very high93.2Very high119 Ų11935 Ų3552%0.51718%0.181SC..Iπ-helixtrans-93.8-38.3-174.6-68.5177.8179.8171.20113.6S222 P223S222-K226 WeakPolarHBondContact O-CB 3.26Å; S222-K226 WeakPolarHBondContact O-CG 3.44Å; S222-K226 PolarHBondContact O-N 3.37Å; S222-K226 PolarHBondContact OG-NZ 3.39Å; P223-K226 PolarHBondContact O-N 2.95Å
227D92.4Very high93.3Very high92 Ų9231.2 Ų31.249%0.49216%0.161SC..Iπ-helixtrans-117.6-45.2-163.4-51.8-43000111.7P223P223-D227 WeakPolarHBondContact CA-OD2 3.4Å; P223-D227 WeakPolarHBondContact O-CA 3.3Å; P223-D227 WeakPolarHBondContact O-CB 3.18Å; P223-D227 PolarHBondContact O-N 3.37Å
228W95.3Very high93.4Very high11 Ų1134 Ų344%0.04217%0.172CC..Iπ-helixtrans-86-45.4-170.4-55.4-20.4000113.5D10 K167 A170 S174 P223 L224D10-W228 PolarHBondContact OD1-NE1 3.49Å; K167-W228 HydrophobicContact CB-CD2 4.44Å; K167-W228 HydrophobicContact CB-CE3 4.14Å; K167-W228 HydrophobicContact CB-CH2 3.92Å; K167-W228 HydrophobicContact CB-CZ2 4.23Å; K167-W228 HydrophobicContact CB-CZ3 3.87Å; K167-W228 HydrophobicContact CD-CH2 4.26Å; K167-W228 HydrophobicContact CD-CZ2 3.8Å; K167-W228 HydrophobicContact CG-CD2 4.05Å; K167-W228 HydrophobicContact CG-CE3 4.25Å; K167-W228 HydrophobicContact CG-CH2 4.15Å; K167-W228 HydrophobicContact CG-CZ2 3.92Å; K167-W228 HydrophobicContact CG-CZ3 4.3Å; A170-W228 HydrophobicContact CB-CB 3.56Å; A170-W228 HydrophobicContact CB-CE3 4.07Å; A170-W228 HydrophobicContact CB-CG 4.39Å; S174-W228 VanDerWaalsContact CB-O 3.29Å; S174-W228 WeakPolarHBondContact CB-O 3.4Å; S174-W228 PolarHBondContact OG-O 3.27Å; S174-W228 VanDerWaalsContact OG-O 3.06Å; P223-W228 HydrophobicContact CB-CD2 4.36Å; P223-W228 HydrophobicContact CB-CH2 4.48Å; P223-W228 HydrophobicContact CB-CZ2 3.98Å; P223-W228 HydrophobicContact CG-CH2 4.1Å; P223-W228 HydrophobicContact CG-CZ2 4.03Å; P223-W228 PolarHBondContact O-N 3.48Å; L224-W228 HydrophobicContact CB-CE3 4.09Å; L224-W228 HydrophobicContact CD1-CE3 4.15Å
229A96.1Very high93.5Very high1 Ų137 Ų371%0.00819%0.186CC..  trans-138.659.5-177.900000112.6A170 F182 L224 Q231 A232A170-A229 HydrophobicContact CB-CB 4.31Å; F182-A229 HydrophobicContact CE2-CB 3.79Å; F182-A229 HydrophobicContact CZ-CB 4Å; L224-A229 PolarHBondContact O-N 2.98Å; A229-Q231 PolarHBondContact O-N 3.05Å; A229-Q231 VanDerWaalsContact O-N 3.09Å; A229-A232 HydrophobicContact CB-CB 4.01Å; A229-A232 WeakPolarHBondContact O-CB 3.28Å; A229-A232 PolarHBondContact O-N 2.84Å; A229-A232 VanDerWaalsContact O-N 3.08Å
230P95.8Very high93.7Very high70 Ų7033.8 Ų33.846%0.45517%0.172SC..THydrogen-bonded Turntrans-67.3-15.7-168.227-36.4000116.1V225V225-P230 VanDerWaalsContact O-CA 3.25Å; V225-P230 WeakPolarHBondContact O-CA 3.39Å
231Q96.7Very high93.7Very high72 Ų7237.9 Ų37.934%0.33620%0.198SC..THydrogen-bonded Turntrans-101.3-3.8178.4-67.2-179.78.100113G177 S178 A229 F313G177-Q231 CarbonylContact C-O 3.53Å; S178-Q231 WeakPolarHBondContact CA-O 3.48Å; S178-Q231 PolarHBondContact N-O 3.26Å; A229-Q231 PolarHBondContact O-N 3.05Å; A229-Q231 VanDerWaalsContact O-N 3.09Å; Q231-F313 VanDerWaalsContact O-CE1 3.26Å; Q231-F313 WeakPolarHBondContact O-CE1 3.27Å; Q231-F313 WeakPolarHBondContact O-CZ 3.47Å
232A97.9Very high93.9Very high4 Ų439.4 Ų39.43%0.03321%0.207CC..SBendtrans-79.9156.5-17800000111.9A180 F182 A229 Q260A180-A232 HydrophobicContact CB-CB 3.84Å; A180-A232 WeakPolarHBondContact O-CA 3.33Å; F182-A232 HydrophobicContact CD2-CB 3.72Å; F182-A232 HydrophobicContact CE2-CB 3.52Å; A229-A232 HydrophobicContact CB-CB 4.01Å; A229-A232 WeakPolarHBondContact O-CB 3.28Å; A229-A232 PolarHBondContact O-N 2.84Å; A229-A232 VanDerWaalsContact O-N 3.08Å; A232-Q260 PolarHBondContact O-OE1 3.42Å
233F98.4Very high94Very high7 Ų742.2 Ų42.23%0.03122%0.224CC..EExtended strand (participates in β ladder)trans-84.8109.8170.7-170.8-85.7000110.1A180 M181 F182 T235 Q260 A261 L306 A309 H310 F313A180-F233 PolarHBondContact O-N 3.3Å; M181-F233 CarbonylContact C-O 3.47Å; M181-F233 WeakPolarHBondContact CA-O 3.45Å; M181-F233 HydrophobicContact CE-CD1 3.63Å; M181-F233 HydrophobicContact CE-CE1 3.99Å; M181-F233 HydrophobicContact CE-CG 4.4Å; M181-F233 HydrophobicContact CG-CD1 4.1Å; F182-F233 PolarHBondContact N-O 2.81Å; F233-T235 WeakPolarHBondContact CE1-OG1 3.49Å; F233-Q260 HydrophobicContact CD1-CB 4.46Å; F233-Q260 HydrophobicContact CD2-CB 3.68Å; F233-Q260 HydrophobicContact CD2-CG 3.8Å; F233-Q260 HydrophobicContact CE1-CB 4.26Å; F233-Q260 HydrophobicContact CE2-CB 3.45Å; F233-Q260 VanDerWaalsContact CE2-CB 3.45Å; F233-Q260 HydrophobicContact CE2-CG 3.98Å; F233-Q260 HydrophobicContact CG-CB 4.21Å; F233-Q260 HydrophobicContact CG-CG 4.44Å; F233-Q260 HydrophobicContact CZ-CB 3.76Å; F233-A261 HydrophobicContact CE1-CB 4.21Å; F233-A261 HydrophobicContact CZ-CB 4.19Å; F233-L306 HydrophobicContact CE1-CD2 4.47Å; F233-A309 HydrophobicContact CE2-CB 4.23Å; F233-A309 HydrophobicContact CZ-CB 3.76Å; F233-H310 WeakPolarHBondContact CB-CD2 3.29Å; F233-H310 HydrophobicContact CD1-CB 4.43Å; F233-H310 HydrophobicContact CD2-CB 4.41Å; F233-H310 HydrophobicContact CG-CB 4.27Å; F233-H310 AromaticContact CG-CD2 3.77Å; F233-F313 HydrophobicContact CB-CD1 3.98Å; F233-F313 HydrophobicContact CB-CE1 4.13Å; F233-F313 HydrophobicContact CD2-CB 3.59Å; F233-F313 AromaticContact CD2-CD1 3.88Å; F233-F313 HydrophobicContact CD2-CD1 3.88Å; F233-F313 HydrophobicContact CD2-CD2 4.15Å; F233-F313 AromaticContact CD2-CG 3.62Å; F233-F313 HydrophobicContact CD2-CG 3.62Å; F233-F313 HydrophobicContact CE2-CB 3.98Å; F233-F313 HydrophobicContact CE2-CG 4.38Å; F233-F313 HydrophobicContact CG-CD1 4.44Å
234V98.5Very high94Very high0 Ų047.3 Ų47.30%026%0.255CS..EExtended strand (participates in β ladder)trans-105122.9-175.2-179.60000110.9F182 L184 L224 V225 H259 Q260 A261F182-V234 HydrophobicContact CB-CB 4.47Å; F182-V234 HydrophobicContact CB-CG1 4.27Å; F182-V234 HydrophobicContact CB-CG2 4.21Å; F182-V234 HydrophobicContact CD2-CG2 4.02Å; F182-V234 HydrophobicContact CG-CG2 4.34Å; L184-V234 HydrophobicContact CD1-CG1 4.12Å; L224-V234 HydrophobicContact CD2-CG1 4.06Å; V225-V234 HydrophobicContact CG2-CB 4.17Å; V225-V234 HydrophobicContact CG2-CG1 4.09Å; V225-V234 HydrophobicContact CG2-CG2 4.12Å; V234-H259 HydrophobicContact CB-CB 3.87Å; V234-H259 HydrophobicContact CG1-CB 3.91Å; V234-H259 PolarHBondContact O-CD2 2.83Å; V234-Q260 PolarHBondContact O-N 3.45Å; V234-Q260 VanDerWaalsContact O-N 3.08Å; V234-A261 PolarHBondContact O-N 2.94Å
235T98.1Very high94Very high0 Ų049.9 Ų49.90%027%0.269CS..EExtended strand (participates in β ladder)trans-114.7124.6175.6-55.10000110.2F182 Y183 L184 F233 F237 A261 V263 L306F182-T235 WeakPolarHBondContact O-CA 3.29Å; F182-T235 WeakPolarHBondContact O-CB 3.36Å; F182-T235 PolarHBondContact O-N 2.78Å; Y183-T235 HydrophobicContact CD2-CG2 4.47Å; L184-T235 WeakPolarHBondContact CB-O 3.2Å; L184-T235 WeakPolarHBondContact CG-O 3.49Å; L184-T235 PolarHBondContact N-O 2.72Å; F233-T235 WeakPolarHBondContact CE1-OG1 3.49Å; T235-F237 HydrophobicContact CG2-CE2 4.48Å; T235-A261 VanDerWaalsContact CA-O 3.27Å; T235-A261 WeakPolarHBondContact CA-O 3.46Å; T235-A261 HydrophobicContact CG2-CB 4.13Å; T235-V263 HydrophobicContact CG2-CG2 3.64Å; T235-L306 HydrophobicContact CG2-CD1 3.92Å; T235-L306 HydrophobicContact CG2-CD2 4.04Å
236S97.3Very high93.9Very high8 Ų849.3 Ų49.36%0.05627%0.265CS..EExtended strand (participates in β ladder)trans-109165.6172.277.90000112.5H259 A261 V262 V263S236-H259 WeakPolarHBondContact CB-NE2 3.49Å; S236-H259 PolarHBondContact OG-NE2 2.82Å; S236-A261 PolarHBondContact N-O 3.47Å; S236-V262 CarbonylContact O-C 3.55Å; S236-V262 WeakPolarHBondContact O-CA 3.41Å; S236-V263 PolarHBondContact O-N 3.44Å
237F95.4Very high94.1Very high41 Ų4145.4 Ų45.418%0.1825%0.25CC..EExtended strand (participates in β ladder)trans-112.5140.7177.7-83.2-97.8000111.5Y183 L184 A185 T235 V263Y183-F237 HydrophobicContact CD1-CE2 4.12Å; Y183-F237 AromaticContact CD2-CE2 3.9Å; Y183-F237 HydrophobicContact CD2-CE2 3.9Å; Y183-F237 HydrophobicContact CD2-CZ 4.25Å; Y183-F237 AromaticContact CE1-CE2 3.8Å; Y183-F237 HydrophobicContact CE1-CE2 3.8Å; Y183-F237 AromaticContact CE1-CZ 3.89Å; Y183-F237 HydrophobicContact CE1-CZ 3.89Å; Y183-F237 AromaticContact CE2-CE2 3.52Å; Y183-F237 HydrophobicContact CE2-CE2 3.52Å; Y183-F237 AromaticContact CE2-CZ 3.41Å; Y183-F237 HydrophobicContact CE2-CZ 3.41Å; Y183-F237 VanDerWaalsContact CE2-CZ 3.41Å; Y183-F237 HydrophobicContact CG-CE2 4.2Å; Y183-F237 AromaticContact CZ-CE2 3.5Å; Y183-F237 VanDerWaalsContact CZ-CE2 3.5Å; Y183-F237 AromaticContact CZ-CZ 3.21Å; Y183-F237 WeakPolarHBondContact OH-CZ 3.5Å; L184-F237 WeakPolarHBondContact O-CD2 3.49Å; A185-F237 HydrophobicContact CB-CD2 3.83Å; A185-F237 HydrophobicContact CB-CE2 3.83Å; A185-F237 HydrophobicContact CB-CG 4.31Å; A185-F237 HydrophobicContact CB-CZ 4.3Å; T235-F237 HydrophobicContact CG2-CE2 4.48Å; F237-V263 WeakPolarHBondContact CA-O 3.48Å; F237-V263 HydrophobicContact CD1-CB 3.78Å; F237-V263 HydrophobicContact CD1-CG1 3.94Å; F237-V263 HydrophobicContact CD2-CB 4.46Å; F237-V263 HydrophobicContact CE1-CB 3.41Å; F237-V263 VanDerWaalsContact CE1-CB 3.41Å; F237-V263 HydrophobicContact CE1-CG1 3.29Å; F237-V263 HydrophobicContact CE1-CG2 4.11Å; F237-V263 HydrophobicContact CE2-CB 4.14Å; F237-V263 HydrophobicContact CE2-CG2 4.18Å; F237-V263 HydrophobicContact CG-CB 4.28Å; F237-V263 HydrophobicContact CZ-CB 3.57Å; F237-V263 HydrophobicContact CZ-CG1 3.75Å; F237-V263 HydrophobicContact CZ-CG2 3.75Å
238K93.1Very high94.2Very high70 Ų7045.6 Ų45.630%0.30425%0.25SS..EExtended strand (participates in β ladder)trans-127.6112.7172.6-157.559.5167.8153.10110.4E240 R249 V262 V263 A264 N265K238-E240 WeakPolarHBondContact CE-OE1 3.35Å; K238-E240 HydrophobicContact CG-CG 4.39Å; K238-E240 IonicContact NZ-OE1 3.9Å; K238-R249 HydrophobicContact CG-CB 4.19Å; K238-V262 HydrophobicContact CB-CG1 3.87Å; K238-V263 PolarHBondContact N-O 3.29Å; K238-A264 CarbonylContact O-C 3.53Å; K238-A264 WeakPolarHBondContact O-CA 3.44Å; K238-N265 PolarHBondContact O-N 2.72Å
239L90.1Very high94.1Very high93 Ų9350.3 Ų50.349%0.48727%0.268SS..EExtended strand (participates in β ladder)trans-103.5122.5175.6173.367.6000108.1N265 L267L239-N265 WeakPolarHBondContact CA-O 3.48Å; L239-N265 WeakPolarHBondContact CD1-ND2 3.38Å; L239-L267 HydrophobicContact CD1-CB 3.95Å; L239-L267 HydrophobicContact CD1-CD1 3.92Å; L239-L267 HydrophobicContact CD2-CD1 4.11Å
240E91.3Very high94.1Very high30 Ų3050.2 Ų50.214%0.1427%0.268CS..EExtended strand (participates in β ladder)trans-126.6160.2174.4-60.7-67.7164.900109.8K238 I245 L246 N265 V266 L267K238-E240 WeakPolarHBondContact CE-OE1 3.35Å; K238-E240 HydrophobicContact CG-CG 4.39Å; K238-E240 IonicContact NZ-OE1 3.9Å; E240-I245 HydrophobicContact CG-CG1 4.46Å; E240-L246 HydrophobicContact CB-CD1 3.91Å; E240-L246 HydrophobicContact CG-CD1 3.69Å; E240-N265 PolarHBondContact N-O 2.85Å; E240-N265 VanDerWaalsContact N-O 3.14Å; E240-V266 CarbonylContact O-C 3.52Å; E240-V266 VanDerWaalsContact O-CA 3.25Å; E240-V266 WeakPolarHBondContact O-CA 3.49Å; E240-L267 PolarHBondContact O-N 3.16Å
241T88.8Confident94.1Very high105 Ų10553.2 Ų53.264%0.64427%0.27SS*.SBendtrans-99.7-20.6171.353.20000112.1L267T241-L267 HydrophobicContact CG2-CB 4.27Å; T241-L267 HydrophobicContact CG2-CD2 4.21Å
242D89.8Confident94Very high62 Ų6256.8 Ų56.833%0.33228%0.281SS..  trans-105.1114.5177.9178.9-6.3000109.8T244 I245D242-T244 PolarHBondContact O-N 2.81Å; D242-T244 WeakPolarHBondContact OD1-CB 3.35Å; D242-T244 WeakPolarHBondContact OD1-CG2 3.35Å; D242-T244 PolarHBondContact OD1-N 2.89Å; D242-T244 PolarHBondContact OD1-OG1 3.06Å; D242-T244 PolarHBondContact OD2-OG1 3.5Å; D242-T244 VanDerWaalsContact OD2-OG1 3.09Å; D242-I245 HydrophobicContact CB-CD1 4.23Å; D242-I245 HydrophobicContact CB-CG1 4.02Å; D242-I245 WeakPolarHBondContact O-CG1 3.36Å
243P90Very high93.8Very high85 Ų8557.2 Ų57.255%0.55228%0.284SS*.Hα-helixtrans-63.3-26.3179.924.7-32.9000113.3I245 L246 V266P243-I245 VanDerWaalsContact C-N 3.28Å; P243-I245 PolarHBondContact O-N 3.5Å; P243-L246 PolarHBondContact O-N 3.35Å; P243-V266 HydrophobicContact CB-CG2 3.95Å
244T91.9Very high93.7Very high106 Ų10657.4 Ų57.465%0.6529%0.285SS*.Hα-helixtrans-68.5-29.4-173.768.90000112.4D242D242-T244 PolarHBondContact O-N 2.81Å; D242-T244 WeakPolarHBondContact OD1-CB 3.35Å; D242-T244 WeakPolarHBondContact OD1-CG2 3.35Å; D242-T244 PolarHBondContact OD1-N 2.89Å; D242-T244 PolarHBondContact OD1-OG1 3.06Å; D242-T244 PolarHBondContact OD2-OG1 3.5Å; D242-T244 VanDerWaalsContact OD2-OG1 3.09Å
245I92.5Very high93.4Very high54 Ų5462.2 Ų62.228%0.27731%0.311SS..Hα-helixtrans-95.9-10.4-179.465.5170.9000113.4E240 D242 P243 L247 D248 R249E240-I245 HydrophobicContact CG-CG1 4.46Å; D242-I245 HydrophobicContact CB-CD1 4.23Å; D242-I245 HydrophobicContact CB-CG1 4.02Å; D242-I245 WeakPolarHBondContact O-CG1 3.36Å; P243-I245 VanDerWaalsContact C-N 3.28Å; P243-I245 PolarHBondContact O-N 3.5Å; I245-L247 PolarHBondContact O-N 2.71Å; I245-D248 PolarHBondContact O-N 2.85Å; I245-R249 HydrophobicContact CB-CG 4.32Å; I245-R249 HydrophobicContact CD1-CG 4.45Å; I245-R249 HydrophobicContact CG1-CG 4.4Å; I245-R249 WeakPolarHBondContact O-CB 3.11Å; I245-R249 WeakPolarHBondContact O-CG 3.25Å; I245-R249 PolarHBondContact O-N 2.98Å
246L91.9Very high93.2Very high6 Ų665.9 Ų65.93%0.03133%0.333CS..Hα-helixtrans-58.5-48.1-168.4179.665.8000112.6E240 P243 R249 A250 A264 V266E240-L246 HydrophobicContact CB-CD1 3.91Å; E240-L246 HydrophobicContact CG-CD1 3.69Å; P243-L246 PolarHBondContact O-N 3.35Å; L246-R249 PolarHBondContact O-N 2.95Å; L246-A250 WeakPolarHBondContact O-CB 3.35Å; L246-A250 PolarHBondContact O-N 3.13Å; L246-A264 HydrophobicContact CD1-CB 3.66Å; L246-A264 HydrophobicContact CD2-CB 4.1Å; L246-A264 HydrophobicContact CG-CB 3.77Å; L246-V266 HydrophobicContact CD2-CG2 3.91Å
247L94Very high93Very high37 Ų3767.3 Ų67.319%0.19434%0.338CS..Hα-helixtrans-69.9-39.8-177.1-63.7173.9000112.1I245 R249 A250 R251 V275 V277 R282I245-L247 PolarHBondContact O-N 2.71Å; L247-R249 VanDerWaalsContact C-N 3.33Å; L247-A250 PolarHBondContact O-N 2.89Å; L247-R251 WeakPolarHBondContact O-CG 3.34Å; L247-R251 PolarHBondContact O-N 3.09Å; L247-V275 HydrophobicContact CD2-CB 4.45Å; L247-V275 HydrophobicContact CD2-CG1 3.94Å; L247-V277 HydrophobicContact CD2-CG2 4.29Å; L247-R282 VanDerWaalsContact CD1-CZ 3.44Å
248D94.6Very high92.9Very high95 Ų9573.4 Ų73.451%0.50836%0.36SS..Hα-helixtrans-66.5-39.2178.1-72.4-11.3000111.1I245 R252I245-D248 PolarHBondContact O-N 2.85Å; D248-R252 VanDerWaalsContact O-CB 3.26Å; D248-R252 WeakPolarHBondContact O-CB 3.46Å; D248-R252 PolarHBondContact O-N 3.24Å
249R94.2Very high93Very high110 Ų11070.3 Ų70.342%0.41535%0.346SS..Hα-helixtrans-64.7-39.8173.7-69.8-73.8-174.3-176.21.6111.7K238 I245 L246 L247 A253K238-R249 HydrophobicContact CG-CB 4.19Å; I245-R249 HydrophobicContact CB-CG 4.32Å; I245-R249 HydrophobicContact CD1-CG 4.45Å; I245-R249 HydrophobicContact CG1-CG 4.4Å; I245-R249 WeakPolarHBondContact O-CB 3.11Å; I245-R249 WeakPolarHBondContact O-CG 3.25Å; I245-R249 PolarHBondContact O-N 2.98Å; L246-R249 PolarHBondContact O-N 2.95Å; L247-R249 VanDerWaalsContact C-N 3.33Å; R249-A253 PolarHBondContact O-N 3.09Å; R249-A253 VanDerWaalsContact O-N 3.12Å
250A95.2Very high93.3Very high0 Ų067.8 Ų67.80%033%0.332CS..Hα-helixtrans-65.2-49.8176.100000111.9L246 L247 R252 A253 L254 V262 A264 V277L246-A250 WeakPolarHBondContact O-CB 3.35Å; L246-A250 PolarHBondContact O-N 3.13Å; L247-A250 PolarHBondContact O-N 2.89Å; A250-R252 PolarHBondContact O-N 3.47Å; A250-A253 WeakPolarHBondContact O-CB 3.22Å; A250-A253 PolarHBondContact O-N 3.09Å; A250-A253 VanDerWaalsContact O-N 3.12Å; A250-L254 PolarHBondContact O-N 2.95Å; A250-L254 VanDerWaalsContact O-N 3.12Å; A250-V262 HydrophobicContact CB-CB 4.14Å; A250-V262 HydrophobicContact CB-CG1 3.73Å; A250-A264 HydrophobicContact CB-CB 4.11Å; A250-V277 HydrophobicContact CB-CB 4.3Å; A250-V277 HydrophobicContact CB-CG2 3.96Å
251R95.6Very high93.6Very high132 Ų13266.3 Ų66.350%0.49833%0.325SS..Hα-helixtrans-59.8-44.9176.8-73.7177.3176.6153.1-5.1112.2L247 A253 L254 D255 V277L247-R251 WeakPolarHBondContact O-CG 3.34Å; L247-R251 PolarHBondContact O-N 3.09Å; R251-A253 PolarHBondContact O-N 3.36Å; R251-L254 WeakPolarHBondContact O-CB 3.26Å; R251-L254 PolarHBondContact O-N 3.16Å; R251-D255 PolarHBondContact O-N 2.76Å; R251-V277 HydrophobicContact CG-CG1 4.3Å
252R95.1Very high94Very high148 Ų14861.3 Ų61.356%0.55829%0.294SS*.Hα-helixtrans-59.5-36.1176.2-171.4178.6-62.8170.53.3112.2D248 A250 D255 T256D248-R252 VanDerWaalsContact O-CB 3.26Å; D248-R252 WeakPolarHBondContact O-CB 3.46Å; D248-R252 PolarHBondContact O-N 3.24Å; A250-R252 PolarHBondContact O-N 3.47Å; R252-D255 PolarHBondContact O-N 3.17Å; R252-T256 VanDerWaalsContact O-CB 3.28Å; R252-T256 WeakPolarHBondContact O-CB 3.38Å; R252-T256 PolarHBondContact O-N 3.46Å; R252-T256 PolarHBondContact O-OG1 2.88Å
253A94.2Very high94.4Very high12 Ų1258.4 Ų58.410%0.09928%0.279CS..Hα-helixtrans-66.7-41.2175.600000111.8R249 A250 R251 T256 Y257 H259 V262R249-A253 PolarHBondContact O-N 3.09Å; R249-A253 VanDerWaalsContact O-N 3.12Å; A250-A253 WeakPolarHBondContact O-CB 3.22Å; A250-A253 PolarHBondContact O-N 3.09Å; A250-A253 VanDerWaalsContact O-N 3.12Å; R251-A253 PolarHBondContact O-N 3.36Å; A253-T256 PolarHBondContact O-N 3.44Å; A253-Y257 HydrophobicContact CB-CD2 4.17Å; A253-Y257 HydrophobicContact CB-CE2 4.23Å; A253-Y257 WeakPolarHBondContact O-CB 3.45Å; A253-Y257 WeakPolarHBondContact O-CD2 3.27Å; A253-Y257 PolarHBondContact O-N 3.21Å; A253-H259 PolarHBondContact O-CE1 3.49Å; A253-V262 HydrophobicContact CB-CG2 4.16Å
254L95.4Very high94.7Very high12 Ų1254.3 Ų54.36%0.06325%0.252CS..Hα-helixtrans-59.9-46.9173-67.6170.7000111.1A250 R251 T256 R258 H259 V262 V277A250-L254 PolarHBondContact O-N 2.95Å; A250-L254 VanDerWaalsContact O-N 3.12Å; R251-L254 WeakPolarHBondContact O-CB 3.26Å; R251-L254 PolarHBondContact O-N 3.16Å; L254-T256 PolarHBondContact O-N 3.17Å; L254-R258 WeakPolarHBondContact O-CA 3.42Å; L254-R258 PolarHBondContact O-N 3.13Å; L254-H259 VanDerWaalsContact CD2-O 3.24Å; L254-H259 WeakPolarHBondContact CD2-O 3.22Å; L254-V262 HydrophobicContact CD2-CG2 3.78Å; L254-V262 HydrophobicContact CG-CG2 3.74Å; L254-V277 HydrophobicContact CD1-CB 4.4Å; L254-V277 HydrophobicContact CD1-CG1 3.79Å
255D93.9Very high94.6Very high101 Ų10149.6 Ų49.654%0.5422%0.223SC..Hα-helixtrans-63.6-41.5179.6-67.1-32.1000112.6R251 R252 R258R251-D255 PolarHBondContact O-N 2.76Å; R252-D255 PolarHBondContact O-N 3.17Å; D255-R258 WeakPolarHBondContact O-CD 3.31Å; D255-R258 PolarHBondContact O-NE 2.77Å
256T92.7Very high94.5Very high76 Ų7647.8 Ų47.847%0.46621%0.214SC..Hα-helixtrans-71.2-48-176.7-56.60000111.5R252 A253 L254R252-T256 VanDerWaalsContact O-CB 3.28Å; R252-T256 WeakPolarHBondContact O-CB 3.38Å; R252-T256 PolarHBondContact O-N 3.46Å; R252-T256 PolarHBondContact O-OG1 2.88Å; A253-T256 PolarHBondContact O-N 3.44Å; L254-T256 PolarHBondContact O-N 3.17Å
257Y92.8Very high94.2Very high39 Ų3950.3 Ų50.315%0.15323%0.227CC..Hα-helixtrans-100.4-12.9-170.5-52.1-57000113.7K219 L221 V225 A253 H259K219-Y257 HydrophobicContact CB-CE1 4.11Å; L221-Y257 HydrophobicContact CB-CD1 3.69Å; L221-Y257 HydrophobicContact CB-CD2 4.11Å; L221-Y257 HydrophobicContact CB-CE1 4.14Å; L221-Y257 HydrophobicContact CB-CG 3.69Å; L221-Y257 HydrophobicContact CD1-CD2 3.64Å; L221-Y257 HydrophobicContact CD1-CE2 3.76Å; L221-Y257 HydrophobicContact CD1-CG 4.11Å; V225-Y257 WeakPolarHBondContact CG1-O 3.23Å; A253-Y257 HydrophobicContact CB-CD2 4.17Å; A253-Y257 HydrophobicContact CB-CE2 4.23Å; A253-Y257 WeakPolarHBondContact O-CB 3.45Å; A253-Y257 WeakPolarHBondContact O-CD2 3.27Å; A253-Y257 PolarHBondContact O-N 3.21Å; Y257-H259 PolarHBondContact O-N 2.82Å
258R93.6Very high93.8Very high169 Ų16955.3 Ų55.364%0.63825%0.254SS*.  trans56.333.1179-56.8-64.2-170.7168.21.9114.1V225 L254 D255V225-R258 WeakPolarHBondContact CG1-O 3.3Å; L254-R258 WeakPolarHBondContact O-CA 3.42Å; L254-R258 PolarHBondContact O-N 3.13Å; D255-R258 WeakPolarHBondContact O-CD 3.31Å; D255-R258 PolarHBondContact O-NE 2.77Å
259H94.6Very high93.4Very high4 Ų453 Ų532%0.01925%0.245CC..  trans-91.2171.417566.1-66.3000111.4V225 V234 S236 A253 L254 Y257 A261 V262V225-H259 HydrophobicContact CG2-CB 3.84Å; V234-H259 HydrophobicContact CB-CB 3.87Å; V234-H259 HydrophobicContact CG1-CB 3.91Å; V234-H259 PolarHBondContact O-CD2 2.83Å; S236-H259 WeakPolarHBondContact CB-NE2 3.49Å; S236-H259 PolarHBondContact OG-NE2 2.82Å; A253-H259 PolarHBondContact O-CE1 3.49Å; L254-H259 VanDerWaalsContact CD2-O 3.24Å; L254-H259 WeakPolarHBondContact CD2-O 3.22Å; Y257-H259 PolarHBondContact O-N 2.82Å; H259-A261 PolarHBondContact CD2-O 2.89Å; H259-A261 PolarHBondContact NE2-O 2.9Å; H259-V262 WeakPolarHBondContact NE2-CG2 3.26Å
260Q96.8Very high92.9Very high40 Ų4051.7 Ų51.719%0.18724%0.241CC..SBendtrans-88.5-28.9-162.7-7066.937.900114A232 F233 V234 P279 F313A232-Q260 PolarHBondContact O-OE1 3.42Å; F233-Q260 HydrophobicContact CD1-CB 4.46Å; F233-Q260 HydrophobicContact CD2-CB 3.68Å; F233-Q260 HydrophobicContact CD2-CG 3.8Å; F233-Q260 HydrophobicContact CE1-CB 4.26Å; F233-Q260 HydrophobicContact CE2-CB 3.45Å; F233-Q260 VanDerWaalsContact CE2-CB 3.45Å; F233-Q260 HydrophobicContact CE2-CG 3.98Å; F233-Q260 HydrophobicContact CG-CB 4.21Å; F233-Q260 HydrophobicContact CG-CG 4.44Å; F233-Q260 HydrophobicContact CZ-CB 3.76Å; V234-Q260 PolarHBondContact O-N 3.45Å; V234-Q260 VanDerWaalsContact O-N 3.08Å; Q260-P279 WeakPolarHBondContact O-CD 3.38Å; Q260-F313 HydrophobicContact CG-CD2 4.08Å; Q260-F313 HydrophobicContact CG-CE2 4Å
261A97.8Very high92.6Very high0 Ų059.7 Ų59.70%027%0.271CS..EExtended strand (participates in β ladder)trans-150.1144.7-178.400000113.3F233 V234 T235 S236 H259 V277 T278 L306F233-A261 HydrophobicContact CE1-CB 4.21Å; F233-A261 HydrophobicContact CZ-CB 4.19Å; V234-A261 PolarHBondContact O-N 2.94Å; T235-A261 VanDerWaalsContact CA-O 3.27Å; T235-A261 WeakPolarHBondContact CA-O 3.46Å; T235-A261 HydrophobicContact CG2-CB 4.13Å; S236-A261 PolarHBondContact N-O 3.47Å; H259-A261 PolarHBondContact CD2-O 2.89Å; H259-A261 PolarHBondContact NE2-O 2.9Å; A261-V277 CarbonylContact C-O 3.47Å; A261-V277 WeakPolarHBondContact CA-O 3.31Å; A261-T278 HydrophobicContact CB-CG2 4.36Å; A261-L306 HydrophobicContact CB-CD2 3.94Å
262V98.3Very high92.4Very high0 Ų054.7 Ų54.70%026%0.261CS..EExtended strand (participates in β ladder)trans-118125.8167178.50000108.5S236 K238 A250 A253 L254 H259 A264 V277S236-V262 CarbonylContact O-C 3.55Å; S236-V262 WeakPolarHBondContact O-CA 3.41Å; K238-V262 HydrophobicContact CB-CG1 3.87Å; A250-V262 HydrophobicContact CB-CB 4.14Å; A250-V262 HydrophobicContact CB-CG1 3.73Å; A253-V262 HydrophobicContact CB-CG2 4.16Å; L254-V262 HydrophobicContact CD2-CG2 3.78Å; L254-V262 HydrophobicContact CG-CG2 3.74Å; H259-V262 WeakPolarHBondContact NE2-CG2 3.26Å; V262-A264 HydrophobicContact CG1-CB 4.46Å; V262-V277 PolarHBondContact N-O 3.19Å; V262-V277 PolarHBondContact O-N 2.88Å
263V97.7Very high92.3Very high0 Ų050.4 Ų50.40%025%0.245CC..EExtended strand (participates in β ladder)trans-93.9108.3168.9-174.80000107.8T235 S236 F237 K238 V274 V276 I302 L306T235-V263 HydrophobicContact CG2-CG2 3.64Å; S236-V263 PolarHBondContact O-N 3.44Å; F237-V263 WeakPolarHBondContact CA-O 3.48Å; F237-V263 HydrophobicContact CD1-CB 3.78Å; F237-V263 HydrophobicContact CD1-CG1 3.94Å; F237-V263 HydrophobicContact CD2-CB 4.46Å; F237-V263 HydrophobicContact CE1-CB 3.41Å; F237-V263 VanDerWaalsContact CE1-CB 3.41Å; F237-V263 HydrophobicContact CE1-CG1 3.29Å; F237-V263 HydrophobicContact CE1-CG2 4.11Å; F237-V263 HydrophobicContact CE2-CB 4.14Å; F237-V263 HydrophobicContact CE2-CG2 4.18Å; F237-V263 HydrophobicContact CG-CB 4.28Å; F237-V263 HydrophobicContact CZ-CB 3.57Å; F237-V263 HydrophobicContact CZ-CG1 3.75Å; F237-V263 HydrophobicContact CZ-CG2 3.75Å; K238-V263 PolarHBondContact N-O 3.29Å; V263-V274 HydrophobicContact CG1-CG1 3.25Å; V263-V276 HydrophobicContact CG2-CG2 4.42Å; V263-I302 HydrophobicContact CG1-CD1 4.3Å; V263-I302 HydrophobicContact CG1-CG2 4.43Å; V263-I302 HydrophobicContact CG2-CG2 4.28Å; V263-L306 HydrophobicContact CG2-CD1 4.14Å; V263-L306 HydrophobicContact CG2-CD2 4.46Å
264A95.2Very high92.4Very high0 Ų049.8 Ų49.80%024%0.24CC..EExtended strand (participates in β ladder)trans-105.6131.8-173.500000110.1K238 L246 A250 V262 V275K238-A264 CarbonylContact O-C 3.53Å; K238-A264 WeakPolarHBondContact O-CA 3.44Å; L246-A264 HydrophobicContact CD1-CB 3.66Å; L246-A264 HydrophobicContact CD2-CB 4.1Å; L246-A264 HydrophobicContact CG-CB 3.77Å; A250-A264 HydrophobicContact CB-CB 4.11Å; V262-A264 HydrophobicContact CG1-CB 4.46Å; A264-V275 PolarHBondContact N-O 2.91Å; A264-V275 PolarHBondContact O-N 3.29Å
265N91Very high92.5Very high7 Ų749.3 Ų49.34%0.03724%0.238CC..EExtended strand (participates in β ladder)trans-145.1146177.968.5-98.2000112K238 L239 E240 R270 V274K238-N265 PolarHBondContact O-N 2.72Å; L239-N265 WeakPolarHBondContact CA-O 3.48Å; L239-N265 WeakPolarHBondContact CD1-ND2 3.38Å; E240-N265 PolarHBondContact N-O 2.85Å; E240-N265 VanDerWaalsContact N-O 3.14Å; N265-R270 HydrophobicContact CB-CB 4.32Å; N265-R270 VanDerWaalsContact ND2-CB 3.26Å; N265-R270 WeakPolarHBondContact ND2-CB 3.43Å; N265-V274 HydrophobicContact CB-CG2 4.06Å
266V89.4Confident92.6Very high15 Ų1544.5 Ų44.59%0.09121%0.212CC..EExtended strand (participates in β ladder)trans-81.1144.1168-175.70000108.7E240 P243 L246 D268 S269 R270E240-V266 CarbonylContact O-C 3.52Å; E240-V266 VanDerWaalsContact O-CA 3.25Å; E240-V266 WeakPolarHBondContact O-CA 3.49Å; P243-V266 HydrophobicContact CB-CG2 3.95Å; L246-V266 HydrophobicContact CD2-CG2 3.91Å; V266-D268 VanDerWaalsContact C-N 3.34Å; V266-D268 PolarHBondContact O-N 2.8Å; V266-S269 PolarHBondContact O-N 3.38Å; V266-R270 WeakPolarHBondContact O-CA 3.49Å; V266-R270 WeakPolarHBondContact O-CB 3.23Å; V266-R270 PolarHBondContact O-N 3.28Å
267L85.9Confident92.9Very high59 Ų5941.1 Ų41.131%0.30919%0.191SC..THydrogen-bonded Turntrans-53.1-49.4-177.5-176.665.3000112.3L239 E240 T241 S269 R270L239-L267 HydrophobicContact CD1-CB 3.95Å; L239-L267 HydrophobicContact CD1-CD1 3.92Å; L239-L267 HydrophobicContact CD2-CD1 4.11Å; E240-L267 PolarHBondContact O-N 3.16Å; T241-L267 HydrophobicContact CG2-CB 4.27Å; T241-L267 HydrophobicContact CG2-CD2 4.21Å; L267-S269 PolarHBondContact O-N 2.88Å; L267-R270 VanDerWaalsContact O-CD 3.25Å; L267-R270 WeakPolarHBondContact O-CD 3.45Å; L267-R270 WeakPolarHBondContact O-CG 3.28Å; L267-R270 PolarHBondContact O-NH1 3.02Å
268D86Confident93Very high142 Ų14239.9 Ų39.976%0.75919%0.187SC*.THydrogen-bonded Turntrans-71.9-34.8-170.7-60-29000113V266V266-D268 VanDerWaalsContact C-N 3.34Å; V266-D268 PolarHBondContact O-N 2.8Å
269S86.6Confident92.9Very high46 Ų4635.9 Ų35.932%0.32218%0.183SC..THydrogen-bonded Turntrans-98.55.5-17861.20000114.1V266 L267 R271 G272 Y273V266-S269 PolarHBondContact O-N 3.38Å; L267-S269 PolarHBondContact O-N 2.88Å; S269-R271 PolarHBondContact O-N 2.63Å; S269-G272 PolarHBondContact O-N 3.44Å; S269-Y273 PolarHBondContact O-N 3.28Å
270R84.2Confident92.6Very high83 Ų8343.7 Ų43.731%0.31322%0.22SC..THydrogen-bonded Turntrans-54.9-18-171.171.9-171.5-179.9-89.78.1116.7R72 N265 V266 L267R72-R270 PolarHBondContact NH2-O 2.97Å; N265-R270 HydrophobicContact CB-CB 4.32Å; N265-R270 VanDerWaalsContact ND2-CB 3.26Å; N265-R270 WeakPolarHBondContact ND2-CB 3.43Å; V266-R270 WeakPolarHBondContact O-CA 3.49Å; V266-R270 WeakPolarHBondContact O-CB 3.23Å; V266-R270 PolarHBondContact O-N 3.28Å; L267-R270 VanDerWaalsContact O-CD 3.25Å; L267-R270 WeakPolarHBondContact O-CD 3.45Å; L267-R270 WeakPolarHBondContact O-CG 3.28Å; L267-R270 PolarHBondContact O-NH1 3.02Å
271R87.7Confident92.4Very high168 Ų16843.4 Ų43.463%0.63422%0.222SC*.THydrogen-bonded Turntrans-94.1-21.8178.8-66-174.1179.1-177.72.6113.7S269 I298S269-R271 PolarHBondContact O-N 2.63Å; R271-I298 WeakPolarHBondContact O-CB 3.19Å; R271-I298 WeakPolarHBondContact O-CG2 3.27Å
272G91.2Very high92.3Very high28 Ų2848.6 Ų48.629%0.28924%0.242SC..THydrogen-bonded Turntrans-115.9-17.6-176.700000113.9S269 V286 V287S269-G272 PolarHBondContact O-N 3.44Å; G272-V286 CarbonylContact O-C 3.59Å; G272-V286 WeakPolarHBondContact O-CA 3.29Å; G272-V287 PolarHBondContact O-N 3.09Å
273Y93.9Very high92.2Very high57 Ų5751.1 Ų51.122%0.22426%0.256CS..EExtended strand (participates in β ladder)trans-143.6130-175.5-178.1-96.1000111.8S269 V275 E284 L285 V286S269-Y273 PolarHBondContact O-N 3.28Å; Y273-V275 HydrophobicContact CE1-CG2 3.52Å; Y273-V275 VanDerWaalsContact OH-CG2 3.29Å; Y273-V275 WeakPolarHBondContact OH-CG2 3.23Å; Y273-E284 HydrophobicContact CE2-CB 4.22Å; Y273-E284 WeakPolarHBondContact CE2-OE2 3.24Å; Y273-E284 PolarHBondContact OH-OE2 3.43Å; Y273-L285 WeakPolarHBondContact CA-O 3.36Å; Y273-V286 HydrophobicContact CD2-CG2 3.9Å; Y273-V286 HydrophobicContact CE2-CG2 4.21Å
274V95.8Very high92.1Very high0 Ų055.9 Ų55.90%028%0.278CS..EExtended strand (participates in β ladder)trans-144144.4176.41700000108.9V263 N265 L285 I298 I302V263-V274 HydrophobicContact CG1-CG1 3.25Å; N265-V274 HydrophobicContact CB-CG2 4.06Å; V274-L285 PolarHBondContact N-O 3.46Å; V274-L285 PolarHBondContact O-N 3.4Å; V274-I298 HydrophobicContact CB-CD1 4.33Å; V274-I298 HydrophobicContact CB-CG1 4.15Å; V274-I298 HydrophobicContact CG2-CD1 4.33Å; V274-I298 HydrophobicContact CG2-CG1 3.66Å; V274-I302 HydrophobicContact CB-CD1 4.44Å; V274-I302 HydrophobicContact CB-CG1 4.48Å; V274-I302 HydrophobicContact CG1-CD1 4.19Å; V274-I302 HydrophobicContact CG1-CG1 4.13Å; V274-I302 HydrophobicContact CG2-CD1 4Å
275V96.7Very high92.2Very high2 Ų256.8 Ų56.81%0.01228%0.283CS..EExtended strand (participates in β ladder)trans-111.3123.8170.6-170.50000109.2L247 A264 Y273 V277 R282 D283 E284L247-V275 HydrophobicContact CD2-CB 4.45Å; L247-V275 HydrophobicContact CD2-CG1 3.94Å; A264-V275 PolarHBondContact N-O 2.91Å; A264-V275 PolarHBondContact O-N 3.29Å; Y273-V275 HydrophobicContact CE1-CG2 3.52Å; Y273-V275 VanDerWaalsContact OH-CG2 3.29Å; Y273-V275 WeakPolarHBondContact OH-CG2 3.23Å; V275-V277 HydrophobicContact CG1-CG2 3.98Å; V275-R282 HydrophobicContact CG1-CG 3.5Å; V275-D283 CarbonylContact C-O 3.21Å; V275-D283 WeakPolarHBondContact CA-O 3.22Å; V275-E284 HydrophobicContact CG1-CG 4.45Å; V275-E284 HydrophobicContact CG2-CG 4.31Å
276V97.8Very high92.4Very high0 Ų059.8 Ų59.80%030%0.301CS..EExtended strand (participates in β ladder)trans-93.9121.4169.9-175.40000108.4V263 R282 D283 L285 N305 L306V263-V276 HydrophobicContact CG2-CG2 4.42Å; V276-R282 CarbonylContact O-C 3.47Å; V276-R282 WeakPolarHBondContact O-CA 3.44Å; V276-D283 PolarHBondContact N-O 3.42Å; V276-D283 PolarHBondContact O-N 3.33Å; V276-L285 HydrophobicContact CG2-CD1 3.64Å; V276-L285 HydrophobicContact CG2-CG 4.32Å; V276-N305 WeakPolarHBondContact CG1-OD1 3.25Å; V276-L306 HydrophobicContact CG1-CD2 4.04Å
277V97.6Very high92.6Very high4 Ų460 Ų602%0.02430%0.302CS..EExtended strand (participates in β ladder)trans-113.2124.9-179.3-170.50000108.7L247 A250 R251 L254 A261 V262 V275L247-V277 HydrophobicContact CD2-CG2 4.29Å; A250-V277 HydrophobicContact CB-CB 4.3Å; A250-V277 HydrophobicContact CB-CG2 3.96Å; R251-V277 HydrophobicContact CG-CG1 4.3Å; L254-V277 HydrophobicContact CD1-CB 4.4Å; L254-V277 HydrophobicContact CD1-CG1 3.79Å; A261-V277 CarbonylContact C-O 3.47Å; A261-V277 WeakPolarHBondContact CA-O 3.31Å; V262-V277 PolarHBondContact N-O 3.19Å; V262-V277 PolarHBondContact O-N 2.88Å; V275-V277 HydrophobicContact CG1-CG2 3.98Å
278T95.5Very high92.9Very high13 Ų1360.6 Ų60.68%0.0831%0.309CS..  trans-115.9172.5169.971.30000108.9A261 E280 S281A261-T278 HydrophobicContact CB-CG2 4.36Å; T278-E280 PolarHBondContact O-N 3.4Å; T278-E280 PolarHBondContact OG1-N 2.91Å; T278-S281 PolarHBondContact N-O 3.45Å; T278-S281 PolarHBondContact OG1-N 3.43Å; T278-S281 PolarHBondContact OG1-O 3.46Å; T278-S281 PolarHBondContact OG1-OG 2.72Å
279P91Very high93.1Very high85 Ų8562 Ų6255%0.55231%0.31SS*.SBendtrans-60.1-30.9174.6-21.832.9000113Q260Q260-P279 WeakPolarHBondContact O-CD 3.38Å
280E89.1Confident93.3Very high168 Ų16861.1 Ų61.179%0.78531%0.309SS*.SBendtrans-103.1-18.6-175.6-56.176.7-161.200114.3T278T278-E280 PolarHBondContact O-N 3.4Å; T278-E280 PolarHBondContact OG1-N 2.91Å
281S92.7Very high93.7Very high34 Ų3458.2 Ų58.224%0.23830%0.299CS..  trans-142.8161.7-172.177.80000114.5T278T278-S281 PolarHBondContact N-O 3.45Å; T278-S281 PolarHBondContact OG1-N 3.43Å; T278-S281 PolarHBondContact OG1-O 3.46Å; T278-S281 PolarHBondContact OG1-OG 2.72Å
282R94.8Very high93.8Very high109 Ų10954.9 Ų54.941%0.41130%0.298SS..EExtended strand (participates in β ladder)trans-133.5120.6167.8170.5-170164.5-1801.1107.3L247 V275 V276 E284L247-R282 VanDerWaalsContact CD1-CZ 3.44Å; V275-R282 HydrophobicContact CG1-CG 3.5Å; V276-R282 CarbonylContact O-C 3.47Å; V276-R282 WeakPolarHBondContact O-CA 3.44Å; R282-E284 IonicContact CZ-OE1 3.25Å; R282-E284 VanDerWaalsContact CZ-OE1 3.25Å; R282-E284 IonicContact NE-OE1 3.41Å; R282-E284 PolarHBondContact NE-OE1 2.96Å; R282-E284 IonicContact NH2-OE1 2.63Å; R282-E284 PolarHBondContact NH2-OE1 2.79Å
283D96.6Very high93.7Very high54 Ų5461.7 Ų61.729%0.28932%0.322SS..EExtended strand (participates in β ladder)trans-116.3124178.5-60-54000109.7V275 V276 N305V275-D283 CarbonylContact C-O 3.21Å; V275-D283 WeakPolarHBondContact CA-O 3.22Å; V276-D283 PolarHBondContact N-O 3.42Å; V276-D283 PolarHBondContact O-N 3.33Å; D283-N305 WeakPolarHBondContact CB-ND2 3.39Å; D283-N305 PolarHBondContact OD2-ND2 3.28Å
284E96.3Very high93.5Very high99 Ų9967 Ų6746%0.46335%0.346SS..EExtended strand (participates in β ladder)trans-92.4125.2174.3-61.2-170-158.600110Y273 V275 R282Y273-E284 HydrophobicContact CE2-CB 4.22Å; Y273-E284 WeakPolarHBondContact CE2-OE2 3.24Å; Y273-E284 PolarHBondContact OH-OE2 3.43Å; V275-E284 HydrophobicContact CG1-CG 4.45Å; V275-E284 HydrophobicContact CG2-CG 4.31Å; R282-E284 IonicContact CZ-OE1 3.25Å; R282-E284 VanDerWaalsContact CZ-OE1 3.25Å; R282-E284 IonicContact NE-OE1 3.41Å; R282-E284 PolarHBondContact NE-OE1 2.96Å; R282-E284 IonicContact NH2-OE1 2.63Å; R282-E284 PolarHBondContact NH2-OE1 2.79Å
285L96.4Very high93.2Very high20 Ų2069.6 Ų69.611%0.10537%0.373CS..EExtended strand (participates in β ladder)trans-112.5120.4-178.3-53.7-178000108.5Y273 V274 V276 I298 R301 I302 N305Y273-L285 WeakPolarHBondContact CA-O 3.36Å; V274-L285 PolarHBondContact N-O 3.46Å; V274-L285 PolarHBondContact O-N 3.4Å; V276-L285 HydrophobicContact CG2-CD1 3.64Å; V276-L285 HydrophobicContact CG2-CG 4.32Å; L285-I298 HydrophobicContact CB-CD1 3.91Å; L285-R301 HydrophobicContact CB-CB 4.32Å; L285-R301 HydrophobicContact CD1-CB 4.25Å; L285-I302 HydrophobicContact CD1-CB 4.45Å; L285-I302 HydrophobicContact CD1-CG1 3.97Å; L285-N305 HydrophobicContact CD1-CB 4.24Å; L285-N305 HydrophobicContact CD2-CB 4.46Å
286V95.6Very high93Very high69 Ų6971 Ų7142%0.41838%0.382SS..EExtended strand (participates in β ladder)trans-124.7134-176.4-166.60000110G272 Y273 R301G272-V286 CarbonylContact O-C 3.59Å; G272-V286 WeakPolarHBondContact O-CA 3.29Å; Y273-V286 HydrophobicContact CD2-CG2 3.9Å; Y273-V286 HydrophobicContact CE2-CG2 4.21Å; V286-R301 WeakPolarHBondContact O-CD 3.14Å; V286-R301 PolarHBondContact O-NE 3.47Å
287V94.2Very high92.9Very high19 Ų1973.1 Ų73.112%0.11539%0.392CS..  trans-96.3115.9165.9-179.60000107.4G272 D291 V292 I298G272-V287 PolarHBondContact O-N 3.09Å; V287-D291 HydrophobicContact CG1-CB 3.61Å; V287-V292 HydrophobicContact CG1-CG2 3.86Å; V287-I298 HydrophobicContact CG2-CB 3.75Å; V287-I298 HydrophobicContact CG2-CD1 3.83Å; V287-I298 HydrophobicContact CG2-CG1 4.36Å
288T92Very high92.9Very high73 Ų7373 Ų7345%0.44839%0.391SS..  trans-81.5168179.664.70000111.8G290 D291 V292T288-G290 VanDerWaalsContact C-N 3.31Å; T288-G290 PolarHBondContact O-N 3.05Å; T288-D291 PolarHBondContact N-OD2 2.73Å; T288-D291 VanDerWaalsContact O-CB 3.31Å; T288-D291 WeakPolarHBondContact O-CB 3.25Å; T288-D291 PolarHBondContact O-N 3.2Å; T288-D291 PolarHBondContact OG1-N 3.43Å; T288-D291 PolarHBondContact OG1-OD2 2.88Å; T288-V292 PolarHBondContact O-N 3.07Å; T288-V292 VanDerWaalsContact O-N 3.08Å
289E89.7Confident93Very high170 Ų17073.1 Ų73.179%0.79439%0.391SS*.Hα-helixtrans-58-43.3175.5-66.8-179.2169.900112D291 V292 E293E289-D291 PolarHBondContact O-N 3.42Å; E289-V292 WeakPolarHBondContact O-CB 3.47Å; E289-V292 PolarHBondContact O-N 3.47Å; E289-V292 VanDerWaalsContact O-N 3.09Å; E289-E293 PolarHBondContact O-N 2.75Å; E289-E293 VanDerWaalsContact O-N 3.09Å
290G91.3Very high93.3Very high28 Ų2873.3 Ų73.329%0.28938%0.384SS..Hα-helixtrans-66.9-20.4175.700000114.3T288 K294T288-G290 VanDerWaalsContact C-N 3.31Å; T288-G290 PolarHBondContact O-N 3.05Å; G290-K294 WeakPolarHBondContact O-CD 3.32Å; G290-K294 WeakPolarHBondContact O-CG 3.47Å
291D92.1Very high93.7Very high22 Ų2269.4 Ų69.412%0.11836%0.362CS..Hα-helixtrans-76.1-40170.7-67.6-40.9000110.9V287 T288 E289 E293 K294 G295 V296 R301V287-D291 HydrophobicContact CG1-CB 3.61Å; T288-D291 PolarHBondContact N-OD2 2.73Å; T288-D291 VanDerWaalsContact O-CB 3.31Å; T288-D291 WeakPolarHBondContact O-CB 3.25Å; T288-D291 PolarHBondContact O-N 3.2Å; T288-D291 PolarHBondContact OG1-N 3.43Å; T288-D291 PolarHBondContact OG1-OD2 2.88Å; E289-D291 PolarHBondContact O-N 3.42Å; D291-E293 VanDerWaalsContact C-N 3.32Å; D291-E293 PolarHBondContact O-N 2.8Å; D291-K294 CarbonylContact O-C 3.49Å; D291-K294 PolarHBondContact O-N 3.02Å; D291-K294 VanDerWaalsContact O-N 3.09Å; D291-G295 PolarHBondContact O-N 2.89Å; D291-G295 VanDerWaalsContact O-N 3.13Å; D291-V296 HydrophobicContact CB-CB 3.9Å; D291-V296 HydrophobicContact CB-CG1 4.23Å; D291-V296 HydrophobicContact CB-CG2 4.33Å; D291-V296 WeakPolarHBondContact O-CB 3.45Å; D291-V296 PolarHBondContact O-N 3.23Å; D291-R301 VanDerWaalsContact CG-NH2 3.32Å; D291-R301 IonicContact OD1-NH2 2.72Å; D291-R301 PolarHBondContact OD1-NH2 3.45Å; D291-R301 IonicContact OD2-CZ 2.68Å; D291-R301 IonicContact OD2-NE 3.69Å; D291-R301 IonicContact OD2-NH2 3.96Å; D291-R301 PolarHBondContact OD2-NH2 3.24Å
292V88.9Confident94Very high99 Ų9967.8 Ų67.860%0.635%0.351SS*.Hα-helixtrans-61.1-42.6176.3176.50000110.8V287 T288 E289 K294 G295V287-V292 HydrophobicContact CG1-CG2 3.86Å; T288-V292 PolarHBondContact O-N 3.07Å; T288-V292 VanDerWaalsContact O-N 3.08Å; E289-V292 WeakPolarHBondContact O-CB 3.47Å; E289-V292 PolarHBondContact O-N 3.47Å; E289-V292 VanDerWaalsContact O-N 3.09Å; V292-K294 PolarHBondContact O-N 2.77Å; V292-G295 PolarHBondContact O-N 2.9Å
293E89.5Confident94.2Very high171 Ų17162.6 Ų62.680%0.79933%0.331SS*.Hα-helixtrans-59.5-30.4175.4-69.9177.7174.500112.9E289 D291 G295E289-E293 PolarHBondContact O-N 2.75Å; E289-E293 VanDerWaalsContact O-N 3.09Å; D291-E293 VanDerWaalsContact C-N 3.32Å; D291-E293 PolarHBondContact O-N 2.8Å; E293-G295 VanDerWaalsContact C-N 3.34Å
294K90.6Very high94.3Very high167 Ų16763.4 Ų63.473%0.72634%0.341SS*.THydrogen-bonded Turntrans-88-2.1176.6-66172.2-171.3171.80113.2G290 D291 V292 V296G290-K294 WeakPolarHBondContact O-CD 3.32Å; G290-K294 WeakPolarHBondContact O-CG 3.47Å; D291-K294 CarbonylContact O-C 3.49Å; D291-K294 PolarHBondContact O-N 3.02Å; D291-K294 VanDerWaalsContact O-N 3.09Å; V292-K294 PolarHBondContact O-N 2.77Å; K294-V296 VanDerWaalsContact C-N 3.34Å; K294-V296 HydrophobicContact CB-CG2 4.22Å
295G89.4Confident94.4Very high55 Ų5560 Ų6057%0.56733%0.326SS*.THydrogen-bonded Turntrans72.822-178.200000114.5D291 V292 E293D291-G295 PolarHBondContact O-N 2.89Å; D291-G295 VanDerWaalsContact O-N 3.13Å; V292-G295 PolarHBondContact O-N 2.9Å; E293-G295 VanDerWaalsContact C-N 3.34Å
296V92.9Very high94.5Very high33 Ų3359 Ų5920%0.232%0.321CS..  trans-70.7129.3177.1170.70000109.7D291 K294D291-V296 HydrophobicContact CB-CB 3.9Å; D291-V296 HydrophobicContact CB-CG1 4.23Å; D291-V296 HydrophobicContact CB-CG2 4.33Å; D291-V296 WeakPolarHBondContact O-CB 3.45Å; D291-V296 PolarHBondContact O-N 3.23Å; K294-V296 VanDerWaalsContact C-N 3.34Å; K294-V296 HydrophobicContact CB-CG2 4.22Å
297E95.4Very high94.6Very high44 Ų4456.4 Ų56.421%0.20631%0.305CS..  trans-97.8148.8175.1-63.5-177.7121.800110.9S75 Y79 R101 E299 E300S75-E297 PolarHBondContact OG-OE2 3.25Å; Y79-E297 HydrophobicContact CE2-CB 4.07Å; Y79-E297 WeakPolarHBondContact CE2-OE2 3.28Å; Y79-E297 PolarHBondContact OH-OE2 2.68Å; R101-E297 IonicContact CZ-OE1 3.67Å; R101-E297 IonicContact CZ-OE2 3.47Å; R101-E297 IonicContact NH1-OE1 2.72Å; R101-E297 PolarHBondContact NH1-OE1 3.43Å; R101-E297 IonicContact NH1-OE2 3.29Å; R101-E297 IonicContact NH2-OE1 3.75Å; R101-E297 PolarHBondContact NH2-OE1 3.31Å; R101-E297 IonicContact NH2-OE2 2.78Å; R101-E297 PolarHBondContact NH2-OE2 2.85Å; E297-E299 PolarHBondContact O-N 2.94Å; E297-E299 VanDerWaalsContact O-N 3.14Å; E297-E300 WeakPolarHBondContact O-CB 3.46Å; E297-E300 PolarHBondContact O-N 3.35Å
298I96.8Very high94.7Very high2 Ų259.2 Ų59.21%0.0132%0.322CS..Hα-helixtrans-59.3-28.1176.9-172.562.8000112.1R271 V274 L285 V287 E300 R301 I302R271-I298 WeakPolarHBondContact O-CB 3.19Å; R271-I298 WeakPolarHBondContact O-CG2 3.27Å; V274-I298 HydrophobicContact CB-CD1 4.33Å; V274-I298 HydrophobicContact CB-CG1 4.15Å; V274-I298 HydrophobicContact CG2-CD1 4.33Å; V274-I298 HydrophobicContact CG2-CG1 3.66Å; L285-I298 HydrophobicContact CB-CD1 3.91Å; V287-I298 HydrophobicContact CG2-CB 3.75Å; V287-I298 HydrophobicContact CG2-CD1 3.83Å; V287-I298 HydrophobicContact CG2-CG1 4.36Å; I298-E300 VanDerWaalsContact C-N 3.27Å; I298-E300 PolarHBondContact O-N 3.36Å; I298-R301 HydrophobicContact CD1-CB 4.49Å; I298-R301 PolarHBondContact O-N 2.97Å; I298-R301 VanDerWaalsContact O-N 3.17Å; I298-I302 HydrophobicContact CG1-CD1 4.13Å; I298-I302 HydrophobicContact CG1-CG1 4.35Å; I298-I302 HydrophobicContact CG2-CD1 4.49Å; I298-I302 WeakPolarHBondContact O-CG1 3.27Å; I298-I302 PolarHBondContact O-N 3.23Å
299E98.1Very high95Very high15 Ų1556 Ų567%0.0730%0.304CS..Hα-helixtrans-59.5-33.6175.7-75.269.8-150.700113R72 S75 S76 Y79 E297 R301 I302 V303R72-E299 HydrophobicContact CG-CG 4.2Å; R72-E299 WeakPolarHBondContact CG-OE1 3.3Å; R72-E299 IonicContact CZ-OE1 2.91Å; R72-E299 IonicContact NH1-OE1 3.57Å; R72-E299 PolarHBondContact NH1-OE1 3.28Å; S75-E299 WeakPolarHBondContact OG-CB 3.44Å; S76-E299 WeakPolarHBondContact OG-CG 3.14Å; Y79-E299 HydrophobicContact CD2-CB 3.7Å; Y79-E299 HydrophobicContact CE2-CB 3.87Å; E297-E299 PolarHBondContact O-N 2.94Å; E297-E299 VanDerWaalsContact O-N 3.14Å; E299-R301 VanDerWaalsContact C-N 3.32Å; E299-R301 PolarHBondContact O-N 3.04Å; E299-I302 PolarHBondContact O-N 3.46Å; E299-V303 WeakPolarHBondContact O-CB 3.34Å; E299-V303 VanDerWaalsContact O-CG2 3.24Å; E299-V303 WeakPolarHBondContact O-CG2 3.21Å; E299-V303 PolarHBondContact O-N 3.06Å
300E97.6Very high95.4Very high88 Ų8848 Ų4841%0.41127%0.266SS..Hα-helixtrans-59.1-47.1174.9-171.5-177.3166.300110.5Y79 E297 I298 V303 S304Y79-E300 HydrophobicContact CD1-CB 3.87Å; Y79-E300 HydrophobicContact CD1-CG 3.9Å; Y79-E300 HydrophobicContact CD2-CB 4.45Å; Y79-E300 HydrophobicContact CE1-CB 3.6Å; Y79-E300 HydrophobicContact CE1-CG 3.77Å; Y79-E300 HydrophobicContact CE2-CB 4.22Å; Y79-E300 HydrophobicContact CG-CB 4.3Å; E297-E300 WeakPolarHBondContact O-CB 3.46Å; E297-E300 PolarHBondContact O-N 3.35Å; I298-E300 VanDerWaalsContact C-N 3.27Å; I298-E300 PolarHBondContact O-N 3.36Å; E300-V303 PolarHBondContact O-N 3.38Å; E300-S304 VanDerWaalsContact O-CB 3.28Å; E300-S304 WeakPolarHBondContact O-CB 3.29Å; E300-S304 PolarHBondContact O-N 3Å
301R97.7Very high95.6Very high86 Ų8650.1 Ų50.133%0.32527%0.271SS..Hα-helixtrans-67.1-42.2179.1-63.9178.1176-89.46111.5L285 V286 D291 I298 E299 N305L285-R301 HydrophobicContact CB-CB 4.32Å; L285-R301 HydrophobicContact CD1-CB 4.25Å; V286-R301 WeakPolarHBondContact O-CD 3.14Å; V286-R301 PolarHBondContact O-NE 3.47Å; D291-R301 VanDerWaalsContact CG-NH2 3.32Å; D291-R301 IonicContact OD1-NH2 2.72Å; D291-R301 PolarHBondContact OD1-NH2 3.45Å; D291-R301 IonicContact OD2-CZ 2.68Å; D291-R301 IonicContact OD2-NE 3.69Å; D291-R301 IonicContact OD2-NH2 3.96Å; D291-R301 PolarHBondContact OD2-NH2 3.24Å; I298-R301 HydrophobicContact CD1-CB 4.49Å; I298-R301 PolarHBondContact O-N 2.97Å; I298-R301 VanDerWaalsContact O-N 3.17Å; E299-R301 VanDerWaalsContact C-N 3.32Å; E299-R301 PolarHBondContact O-N 3.04Å; R301-N305 WeakPolarHBondContact O-CB 3.49Å; R301-N305 PolarHBondContact O-N 3.33Å
302I98.3Very high95.8Very high0 Ų054.9 Ų54.90%029%0.287CS..Hα-helixtrans-61-51.1176.8-66.3165000110.2Y183 V263 V274 L285 I298 E299 S304 N305 L306Y183-I302 HydrophobicContact CE2-CG2 3.99Å; V263-I302 HydrophobicContact CG1-CD1 4.3Å; V263-I302 HydrophobicContact CG1-CG2 4.43Å; V263-I302 HydrophobicContact CG2-CG2 4.28Å; V274-I302 HydrophobicContact CB-CD1 4.44Å; V274-I302 HydrophobicContact CB-CG1 4.48Å; V274-I302 HydrophobicContact CG1-CD1 4.19Å; V274-I302 HydrophobicContact CG1-CG1 4.13Å; V274-I302 HydrophobicContact CG2-CD1 4Å; L285-I302 HydrophobicContact CD1-CB 4.45Å; L285-I302 HydrophobicContact CD1-CG1 3.97Å; I298-I302 HydrophobicContact CG1-CD1 4.13Å; I298-I302 HydrophobicContact CG1-CG1 4.35Å; I298-I302 HydrophobicContact CG2-CD1 4.49Å; I298-I302 WeakPolarHBondContact O-CG1 3.27Å; I298-I302 PolarHBondContact O-N 3.23Å; E299-I302 PolarHBondContact O-N 3.46Å; I302-S304 VanDerWaalsContact C-N 3.34Å; I302-S304 PolarHBondContact O-N 2.91Å; I302-N305 PolarHBondContact O-N 2.75Å; I302-L306 HydrophobicContact CG2-CD1 3.69Å; I302-L306 HydrophobicContact CG2-CG 4.25Å; I302-L306 WeakPolarHBondContact O-CB 3.3Å; I302-L306 WeakPolarHBondContact O-CG 3.25Å; I302-L306 PolarHBondContact O-N 3.24Å
303V98.6Very high96.1Very high0 Ų051.2 Ų51.20%026%0.263CS..Hα-helixtrans-63.8-40.8-178.21710000111.1F80 E299 E300 T307F80-V303 HydrophobicContact CB-CG1 4.48Å; F80-V303 HydrophobicContact CD1-CG1 3.66Å; F80-V303 HydrophobicContact CD1-CG2 4.49Å; F80-V303 HydrophobicContact CD2-CG1 4.35Å; F80-V303 HydrophobicContact CD2-CG2 3.76Å; F80-V303 HydrophobicContact CE1-CG1 3.88Å; F80-V303 HydrophobicContact CE1-CG2 4.44Å; F80-V303 HydrophobicContact CE2-CG2 3.71Å; F80-V303 HydrophobicContact CG-CG1 3.9Å; F80-V303 HydrophobicContact CG-CG2 4.16Å; F80-V303 HydrophobicContact CZ-CG1 4.32Å; F80-V303 HydrophobicContact CZ-CG2 4.06Å; E299-V303 WeakPolarHBondContact O-CB 3.34Å; E299-V303 VanDerWaalsContact O-CG2 3.24Å; E299-V303 WeakPolarHBondContact O-CG2 3.21Å; E299-V303 PolarHBondContact O-N 3.06Å; E300-V303 PolarHBondContact O-N 3.38Å; V303-T307 WeakPolarHBondContact O-CB 3.34Å; V303-T307 PolarHBondContact O-N 2.97Å; V303-T307 PolarHBondContact O-OG1 3.02Å
304S98.2Very high96.5Very high72 Ų7245 Ų4550%0.50324%0.235SC..Hα-helixtrans-61-47.6175.9-179.20000112.2E300 I302 T307 T308E300-S304 VanDerWaalsContact O-CB 3.28Å; E300-S304 WeakPolarHBondContact O-CB 3.29Å; E300-S304 PolarHBondContact O-N 3Å; I302-S304 VanDerWaalsContact C-N 3.34Å; I302-S304 PolarHBondContact O-N 2.91Å; S304-T307 PolarHBondContact O-N 3.33Å; S304-T308 PolarHBondContact O-N 2.93Å; S304-T308 VanDerWaalsContact O-N 3.11Å; S304-T308 PolarHBondContact O-OG1 3.17Å; S304-T308 VanDerWaalsContact O-OG1 3.04Å
305N98.3Very high96.6Very high27 Ų2741.6 Ų41.614%0.14423%0.228CC..Hα-helixtrans-61.9-50.2177.1179.8-76.5000111.6V276 D283 L285 R301 I302 T307 T308 A309V276-N305 WeakPolarHBondContact CG1-OD1 3.25Å; D283-N305 WeakPolarHBondContact CB-ND2 3.39Å; D283-N305 PolarHBondContact OD2-ND2 3.28Å; L285-N305 HydrophobicContact CD1-CB 4.24Å; L285-N305 HydrophobicContact CD2-CB 4.46Å; R301-N305 WeakPolarHBondContact O-CB 3.49Å; R301-N305 PolarHBondContact O-N 3.33Å; I302-N305 PolarHBondContact O-N 2.75Å; N305-T307 VanDerWaalsContact C-N 3.33Å; N305-T307 PolarHBondContact O-N 2.92Å; N305-T308 WeakPolarHBondContact O-CB 3.4Å; N305-T308 PolarHBondContact O-N 3.26Å; N305-T308 VanDerWaalsContact O-N 3.16Å; N305-A309 PolarHBondContact O-N 3.31Å
306L98.4Very high96.7Very high0 Ų045.2 Ų45.20%023%0.231CC..Hα-helixtrans-66.3-33.7-179.6-68.2177.7000112.8F80 M181 Y183 F233 T235 A261 V263 V276 I302 T308 A309 H310F80-L306 HydrophobicContact CZ-CD1 4.48Å; M181-L306 HydrophobicContact CE-CB 4.31Å; Y183-L306 HydrophobicContact CD2-CD1 3.71Å; Y183-L306 HydrophobicContact CE2-CD1 3.62Å; F233-L306 HydrophobicContact CE1-CD2 4.47Å; T235-L306 HydrophobicContact CG2-CD1 3.92Å; T235-L306 HydrophobicContact CG2-CD2 4.04Å; A261-L306 HydrophobicContact CB-CD2 3.94Å; V263-L306 HydrophobicContact CG2-CD1 4.14Å; V263-L306 HydrophobicContact CG2-CD2 4.46Å; V276-L306 HydrophobicContact CG1-CD2 4.04Å; I302-L306 HydrophobicContact CG2-CD1 3.69Å; I302-L306 HydrophobicContact CG2-CG 4.25Å; I302-L306 WeakPolarHBondContact O-CB 3.3Å; I302-L306 WeakPolarHBondContact O-CG 3.25Å; I302-L306 PolarHBondContact O-N 3.24Å; L306-T308 VanDerWaalsContact C-N 3.31Å; L306-A309 PolarHBondContact O-N 3.45Å; L306-H310 VanDerWaalsContact O-CB 3.3Å; L306-H310 WeakPolarHBondContact O-CB 3.4Å; L306-H310 PolarHBondContact O-N 2.84Å
307T98.4Very high96.1Very high14 Ų1446.5 Ų46.59%0.08623%0.234CC..Hα-helixtrans-63.6-40.8174.3-67.20000111Y85 V303 S304 N305 H310 N311Y85-T307 HydrophobicContact CE2-CG2 4.03Å; V303-T307 WeakPolarHBondContact O-CB 3.34Å; V303-T307 PolarHBondContact O-N 2.97Å; V303-T307 PolarHBondContact O-OG1 3.02Å; S304-T307 PolarHBondContact O-N 3.33Å; N305-T307 VanDerWaalsContact C-N 3.33Å; N305-T307 PolarHBondContact O-N 2.92Å; T307-H310 PolarHBondContact O-N 3.41Å; T307-N311 PolarHBondContact O-N 2.94Å; T307-N311 PolarHBondContact O-ND2 3.06Å
308T97.5Very high94.9Very high77 Ų7746.4 Ų46.447%0.47225%0.245SC..Hα-helixtrans-65.8-44.4175-59.10000111.3S304 N305 L306 N311 R312S304-T308 PolarHBondContact O-N 2.93Å; S304-T308 VanDerWaalsContact O-N 3.11Å; S304-T308 PolarHBondContact O-OG1 3.17Å; S304-T308 VanDerWaalsContact O-OG1 3.04Å; N305-T308 WeakPolarHBondContact O-CB 3.4Å; N305-T308 PolarHBondContact O-N 3.26Å; N305-T308 VanDerWaalsContact O-N 3.16Å; L306-T308 VanDerWaalsContact C-N 3.31Å; T308-N311 PolarHBondContact O-N 2.83Å; T308-R312 PolarHBondContact O-N 2.87Å; T308-R312 VanDerWaalsContact O-N 3.16Å
309A97.1Very high93.3Very high7 Ų749.6 Ų49.66%0.05827%0.272CS..Hα-helixtrans-61-44.2175.400000112.2F233 N305 L306 N311 R312 F313F233-A309 HydrophobicContact CE2-CB 4.23Å; F233-A309 HydrophobicContact CZ-CB 3.76Å; N305-A309 PolarHBondContact O-N 3.31Å; L306-A309 PolarHBondContact O-N 3.45Å; A309-N311 PolarHBondContact O-N 3.13Å; A309-R312 WeakPolarHBondContact O-CB 3.46Å; A309-R312 PolarHBondContact O-N 2.98Å; A309-F313 PolarHBondContact O-N 3.32Å
310H97.9Very high91.1Very high0 Ų052.2 Ų52.20%030%0.303CS..Hα-helixtrans-65.8-37.3178.4-171.6-160.2000112.7Y85 S178 M181 F233 L306 T307 R312 F313 I314Y85-H310 AromaticContact CE1-CE1 3.94Å; Y85-H310 AromaticContact CE1-ND1 3.56Å; Y85-H310 AromaticContact CZ-ND1 3.6Å; Y85-H310 PolarHBondContact OH-ND1 3.24Å; S178-H310 PolarHBondContact O-NE2 3.29Å; M181-H310 HydrophobicContact CE-CB 3.39Å; F233-H310 WeakPolarHBondContact CB-CD2 3.29Å; F233-H310 HydrophobicContact CD1-CB 4.43Å; F233-H310 HydrophobicContact CD2-CB 4.41Å; F233-H310 HydrophobicContact CG-CB 4.27Å; F233-H310 AromaticContact CG-CD2 3.77Å; L306-H310 VanDerWaalsContact O-CB 3.3Å; L306-H310 WeakPolarHBondContact O-CB 3.4Å; L306-H310 PolarHBondContact O-N 2.84Å; T307-H310 PolarHBondContact O-N 3.41Å; H310-R312 VanDerWaalsContact C-N 3.34Å; H310-R312 PolarHBondContact O-N 2.84Å; H310-F313 WeakPolarHBondContact O-CB 3.42Å; H310-F313 PolarHBondContact O-N 3.32Å; H310-I314 VanDerWaalsContact O-CG1 3.32Å; H310-I314 WeakPolarHBondContact O-CG1 3.38Å; H310-I314 PolarHBondContact O-N 3.37Å
311N96.9Very high88.9Confident74 Ų7456 Ų5640%0.39631%0.313SS..Hα-helixtrans-59.8-44.7172.7-79.8-20.5000112R43 T307 T308 A309 F313 I314 T315R43-N311 PolarHBondContact NH1-OD1 2.89Å; T307-N311 PolarHBondContact O-N 2.94Å; T307-N311 PolarHBondContact O-ND2 3.06Å; T308-N311 PolarHBondContact O-N 2.83Å; A309-N311 PolarHBondContact O-N 3.13Å; N311-F313 VanDerWaalsContact C-N 3.33Å; N311-F313 PolarHBondContact O-N 3.16Å; N311-I314 PolarHBondContact O-N 2.82Å; N311-T315 WeakPolarHBondContact O-CG2 3.43Å; N311-T315 PolarHBondContact O-N 2.82Å; N311-T315 VanDerWaalsContact O-N 3.09Å; N311-T315 PolarHBondContact O-OG1 3.03Å
312R95.9Very high86.1Confident121 Ų12163.6 Ų63.646%0.45735%0.349SS..Hα-helixtrans-61.9-41.4174.8-68.7-175.8-69.9166.5-1.5111.7T308 A309 H310 T315 Q316T308-R312 PolarHBondContact O-N 2.87Å; T308-R312 VanDerWaalsContact O-N 3.16Å; A309-R312 WeakPolarHBondContact O-CB 3.46Å; A309-R312 PolarHBondContact O-N 2.98Å; H310-R312 VanDerWaalsContact C-N 3.34Å; H310-R312 PolarHBondContact O-N 2.84Å; R312-T315 PolarHBondContact O-N 3.25Å; R312-T315 PolarHBondContact O-OG1 3.27Å; R312-Q316 WeakPolarHBondContact O-CB 3.35Å; R312-Q316 VanDerWaalsContact O-CG 3.26Å; R312-Q316 WeakPolarHBondContact O-CG 3.48Å; R312-Q316 PolarHBondContact O-N 3.12Å
313F95.6Very high85.5Confident22 Ų2266.8 Ų66.810%0.09637%0.366CS..Hα-helixtrans-62-43.9176.6175.5-102.1000112.5Q231 F233 Q260 A309 H310 N311 T315 Q316 Q317Q231-F313 VanDerWaalsContact O-CE1 3.26Å; Q231-F313 WeakPolarHBondContact O-CE1 3.27Å; Q231-F313 WeakPolarHBondContact O-CZ 3.47Å; F233-F313 HydrophobicContact CB-CD1 3.98Å; F233-F313 HydrophobicContact CB-CE1 4.13Å; F233-F313 HydrophobicContact CD2-CB 3.59Å; F233-F313 AromaticContact CD2-CD1 3.88Å; F233-F313 HydrophobicContact CD2-CD1 3.88Å; F233-F313 HydrophobicContact CD2-CD2 4.15Å; F233-F313 AromaticContact CD2-CG 3.62Å; F233-F313 HydrophobicContact CD2-CG 3.62Å; F233-F313 HydrophobicContact CE2-CB 3.98Å; F233-F313 HydrophobicContact CE2-CG 4.38Å; F233-F313 HydrophobicContact CG-CD1 4.44Å; Q260-F313 HydrophobicContact CG-CD2 4.08Å; Q260-F313 HydrophobicContact CG-CE2 4Å; A309-F313 PolarHBondContact O-N 3.32Å; H310-F313 WeakPolarHBondContact O-CB 3.42Å; H310-F313 PolarHBondContact O-N 3.32Å; N311-F313 VanDerWaalsContact C-N 3.33Å; N311-F313 PolarHBondContact O-N 3.16Å; F313-T315 PolarHBondContact O-N 3.14Å; F313-Q316 PolarHBondContact O-N 3.35Å; F313-Q317 HydrophobicContact CD1-CG 4.45Å; F313-Q317 HydrophobicContact CD2-CG 4.43Å; F313-Q317 HydrophobicContact CE1-CG 4.15Å; F313-Q317 HydrophobicContact CE2-CG 4.12Å; F313-Q317 HydrophobicContact CZ-CG 3.98Å; F313-Q317 WeakPolarHBondContact O-CB 3.34Å; F313-Q317 WeakPolarHBondContact O-CG 3.45Å; F313-Q317 PolarHBondContact O-N 3.25Å
314I96.1Very high84.8Confident40 Ų4070.3 Ų70.321%0.20539%0.385CS..Hα-helixtrans-60.8-45.3176.8-71164.1000111R43 S178 H310 N311 Q317 G318R43-I314 HydrophobicContact CG-CD1 4.17Å; S178-I314 WeakPolarHBondContact O-CG1 3.17Å; H310-I314 VanDerWaalsContact O-CG1 3.32Å; H310-I314 WeakPolarHBondContact O-CG1 3.38Å; H310-I314 PolarHBondContact O-N 3.37Å; N311-I314 PolarHBondContact O-N 2.82Å; I314-Q317 PolarHBondContact O-N 2.86Å; I314-G318 PolarHBondContact O-N 3.08Å
315T94.3Very high84.1Confident96 Ų9670.2 Ų70.259%0.58938%0.379SS*.Hα-helixtrans-67.4-39.3-178.655.50000112.2N311 R312 F313 G318 A319N311-T315 WeakPolarHBondContact O-CG2 3.43Å; N311-T315 PolarHBondContact O-N 2.82Å; N311-T315 VanDerWaalsContact O-N 3.09Å; N311-T315 PolarHBondContact O-OG1 3.03Å; R312-T315 PolarHBondContact O-N 3.25Å; R312-T315 PolarHBondContact O-OG1 3.27Å; F313-T315 PolarHBondContact O-N 3.14Å; T315-G318 PolarHBondContact O-N 3.11Å; T315-A319 PolarHBondContact O-N 3.47Å
316Q90Very high83.3Confident132 Ų13272.7 Ų72.762%0.61739%0.393SS*.Hα-helixtrans-64.7-43.5176.1-72169.8-11.700112.4R312 F313 G318 A319 G320R312-Q316 WeakPolarHBondContact O-CB 3.35Å; R312-Q316 VanDerWaalsContact O-CG 3.26Å; R312-Q316 WeakPolarHBondContact O-CG 3.48Å; R312-Q316 PolarHBondContact O-N 3.12Å; F313-Q316 PolarHBondContact O-N 3.35Å; Q316-G318 VanDerWaalsContact C-N 3.3Å; Q316-G318 PolarHBondContact O-N 3.44Å; Q316-A319 PolarHBondContact O-N 3.48Å; Q316-G320 PolarHBondContact O-N 3.46Å
317Q81.7Confident82.3Confident59 Ų5977.3 Ų77.328%0.27642%0.417SS..Hα-helixtrans-64.3-34.2175-74.8-95.8-10.100112.4F313 I314F313-Q317 HydrophobicContact CD1-CG 4.45Å; F313-Q317 HydrophobicContact CD2-CG 4.43Å; F313-Q317 HydrophobicContact CE1-CG 4.15Å; F313-Q317 HydrophobicContact CE2-CG 4.12Å; F313-Q317 HydrophobicContact CZ-CG 3.98Å; F313-Q317 WeakPolarHBondContact O-CB 3.34Å; F313-Q317 WeakPolarHBondContact O-CG 3.45Å; F313-Q317 PolarHBondContact O-N 3.25Å; I314-Q317 PolarHBondContact O-N 2.86Å
318G70.4Confident81.2Confident42 Ų4281.5 Ų81.543%0.43344%0.439SS..Hα-helixtrans-71.4-32.1175.600000113.7I314 T315 Q316I314-G318 PolarHBondContact O-N 3.08Å; T315-G318 PolarHBondContact O-N 3.11Å; Q316-G318 VanDerWaalsContact C-N 3.3Å; Q316-G318 PolarHBondContact O-N 3.44Å
319A61.5Low80.1Confident69 Ų6981.8 Ų81.857%0.5744%0.437SS*.Hα-helixtrans-73.1-33178.900000113T315 Q316 R321T315-A319 PolarHBondContact O-N 3.47Å; Q316-A319 PolarHBondContact O-N 3.48Å; A319-R321 VanDerWaalsContact C-N 3.26Å; A319-R321 PolarHBondContact O-N 3.49Å
320G53.5Low78.8Confident70 Ų7087.5 Ų87.572%0.72247%0.466SS*.THydrogen-bonded Turntrans-78.61.2177.300000115.7Q316Q316-G320 PolarHBondContact O-N 3.46Å
321R51.3Low77.2Confident167 Ų16794.8 Ų94.863%0.6351%0.505SS*.THydrogen-bonded Turntrans-108.91.4177.9-77.8-174.6177.9170.73.6114.1A319A319-R321 VanDerWaalsContact C-N 3.26Å; A319-R321 PolarHBondContact O-N 3.49Å
322K38.8Very low75.4Confident246 Ų24696.7 Ų96.7100%1.0752%0.515SS*.  trans-96.30169.4-75.1-172.8175.3-175.90109.5

Retrieved 322 of 322 residues in 756.9 ms (Link to these results)

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