A0A096LY53_POEFO Loading...

Glycine N-acyltransferase-like protein

AlphaFold DB , UniProt , Accession A0A096LY53, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 208 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
1M78.7Confident91Very high89 Ų8987.7 Ų87.744%0.43844%0.443SS..  0120.70-176.8178.973.300106.6Y27 L29M1-Y27 HydrophobicContact CB-CD1 4.26Å; M1-Y27 HydrophobicContact CB-CE1 4.07Å; M1-Y27 HydrophobicContact CG-CD1 4.01Å; M1-Y27 HydrophobicContact CG-CE1 3.75Å; M1-Y27 HydrophobicContact SD-CD1 4.37Å; M1-Y27 HydrophobicContact SD-CE1 3.54Å; M1-Y27 VanDerWaalsContact SD-CE1 3.54Å; M1-Y27 HydrophobicContact SD-CE2 4.11Å; M1-Y27 PolarHBondContact SD-OH 3.05Å; M1-Y27 VanDerWaalsContact SD-OH 3.38Å; M1-L29 HydrophobicContact CE-CB 3.58Å; M1-L29 HydrophobicContact CE-CD2 3.7Å; M1-L29 HydrophobicContact CE-CG 4.17Å; M1-L29 HydrophobicContact CG-CB 4.41Å; M1-L29 HydrophobicContact SD-CB 3.89Å
2K88.8Confident91.3Very high105 Ų10592.3 Ų92.346%0.45746%0.461SS..EExtended strand (participates in β ladder)trans-69.9141.9176.7-177178.2176.4-176.90108.7V4 F28 L29K2-V4 HydrophobicContact CG-CG2 4.36Å; K2-F28 HydrophobicContact CB-CB 3.96Å; K2-F28 WeakPolarHBondContact O-CA 3.46Å; K2-L29 PolarHBondContact O-N 2.93Å
3R90.3Very high91.6Very high138 Ų13891.5 Ų91.552%0.52146%0.464SS..EExtended strand (participates in β ladder)trans-108.6133.3172.2-66.1-176.9-179.4176.7-1.6108.1L29R3-L29 CarbonylContact C-O 3.47Å; R3-L29 WeakPolarHBondContact CA-O 3.28Å; R3-L29 HydrophobicContact CG-CD2 4.47Å
4V93.6Very high92Very high26 Ų2685.1 Ų85.116%0.15843%0.431CS..EExtended strand (participates in β ladder)trans-122.8139.5178.1178.80000107.6K2 F28 L29 I30 G31K2-V4 HydrophobicContact CG-CG2 4.36Å; V4-F28 HydrophobicContact CB-CD2 4.36Å; V4-F28 HydrophobicContact CG2-CD2 3.84Å; V4-F28 HydrophobicContact CG2-CE2 4.44Å; V4-L29 PolarHBondContact N-O 2.98Å; V4-I30 HydrophobicContact CB-CG1 4.24Å; V4-I30 HydrophobicContact CG1-CG1 4.5Å; V4-I30 CarbonylContact O-C 3.55Å; V4-I30 VanDerWaalsContact O-CA 3.29Å; V4-I30 WeakPolarHBondContact O-CA 3.4Å; V4-G31 PolarHBondContact O-N 3.25Å
5S92.9Very high92.2Very high99 Ų9983.2 Ų83.269%0.69242%0.417SS*.  trans-134.8145.6169.3-65.10000107.7G31S5-G31 PolarHBondContact OG-O 2.89Å; S5-G31 VanDerWaalsContact OG-O 3.13Å
6F93.4Very high92.5Very high31 Ų3185.6 Ų85.614%0.13642%0.424CS..  trans-143.2164.5177.966.7-104.6000109.4L14 L17 L18 I30 F33 H37 L41F6-L14 HydrophobicContact CD2-CD1 3.38Å; F6-L14 HydrophobicContact CE1-CD1 4.46Å; F6-L14 HydrophobicContact CE2-CD1 3.37Å; F6-L14 HydrophobicContact CE2-CD2 3.9Å; F6-L14 HydrophobicContact CE2-CG 4.3Å; F6-L14 HydrophobicContact CG-CD1 4.02Å; F6-L14 HydrophobicContact CZ-CD1 3.94Å; F6-L14 HydrophobicContact CZ-CD2 4.38Å; F6-L17 HydrophobicContact CB-CD2 4.4Å; F6-L18 HydrophobicContact CD1-CD2 4.16Å; F6-L18 HydrophobicContact CE1-CD2 4.05Å; F6-I30 HydrophobicContact CD1-CG2 3.84Å; F6-I30 HydrophobicContact CE1-CD1 4.13Å; F6-I30 HydrophobicContact CE1-CG2 3.55Å; F6-F33 HydrophobicContact CE1-CB 4.09Å; F6-F33 HydrophobicContact CE1-CG 4.39Å; F6-F33 HydrophobicContact CE2-CB 4.13Å; F6-F33 HydrophobicContact CZ-CB 3.69Å; F6-F33 HydrophobicContact CZ-CD2 4.24Å; F6-F33 HydrophobicContact CZ-CG 4.08Å; F6-H37 AromaticContact CE2-CD2 3.92Å; F6-H37 HydrophobicContact CZ-CB 4.39Å; F6-L41 HydrophobicContact CE1-CD1 4.27Å; F6-L41 HydrophobicContact CE1-CD2 4.19Å; F6-L41 HydrophobicContact CZ-CD1 4.16Å
7F91.1Very high92.7Very high174 Ų17484.5 Ų84.576%0.76342%0.419SS*.  trans-146.5135.9166.6177.2-97.5000108.9T9F7-T9 HydrophobicContact CE1-CG2 3.93Å; F7-T9 HydrophobicContact CZ-CG2 3.64Å
8S92.5Very high92.9Very high18 Ų1879.8 Ų79.813%0.12640%0.396CS..  trans-155.5139.5170-174.20000108.9D10S8-D10 PolarHBondContact OG-N 2.81Å; S8-D10 VanDerWaalsContact OG-N 3.13Å; S8-D10 PolarHBondContact OG-O 2.79Å
9T92.1Very high93Very high132 Ų13277.1 Ų77.181%0.8139%0.386SS*.SBendtrans-95.3-4.9168.657.70000112.4F7F7-T9 HydrophobicContact CE1-CG2 3.93Å; F7-T9 HydrophobicContact CZ-CG2 3.64Å
10D94.9Very high93.1Very high79 Ų7979.6 Ų79.642%0.42240%0.396SS..  trans-111.2120.9178.3-176.4-47.6000108.9S8 E12 V13 L14S8-D10 PolarHBondContact OG-N 2.81Å; S8-D10 VanDerWaalsContact OG-N 3.13Å; S8-D10 PolarHBondContact OG-O 2.79Å; D10-E12 WeakPolarHBondContact OD1-CB 2.95Å; D10-E12 PolarHBondContact OD1-N 2.98Å; D10-V13 HydrophobicContact CB-CB 4.02Å; D10-V13 HydrophobicContact CB-CG2 3.91Å; D10-V13 PolarHBondContact OD1-N 3.2Å; D10-L14 WeakPolarHBondContact O-CB 3.36Å; D10-L14 PolarHBondContact O-N 2.89Å
11E92.7Very high93.2Very high74 Ų7482.6 Ų82.635%0.34641%0.409SS..Hα-helixtrans-71.5-33.5-173.4-161.658.3-13600112.5L14 R15 H37 T40E11-L14 PolarHBondContact O-N 3.43Å; E11-R15 WeakPolarHBondContact O-CB 3.48Å; E11-R15 PolarHBondContact O-N 2.72Å; E11-H37 IonicContact OE2-CE1 3.89Å; E11-H37 IonicContact OE2-ND1 3.32Å; E11-H37 PolarHBondContact OE2-ND1 3.23Å; E11-T40 WeakPolarHBondContact OE1-CB 3.43Å; E11-T40 VanDerWaalsContact OE1-CG2 3.24Å; E11-T40 WeakPolarHBondContact OE1-CG2 3.42Å; E11-T40 PolarHBondContact OE1-OG1 2.98Å
12E94.6Very high94Very high143 Ų14379.2 Ų79.267%0.66839%0.394SS*.Hα-helixtrans-70.3-41.4177.6-65.8-60.1141.100110.5D10 L14 R15 K16D10-E12 WeakPolarHBondContact OD1-CB 2.95Å; D10-E12 PolarHBondContact OD1-N 2.98Å; E12-L14 VanDerWaalsContact C-N 3.34Å; E12-R15 PolarHBondContact O-N 3.13Å; E12-K16 WeakPolarHBondContact O-CB 3.24Å; E12-K16 PolarHBondContact O-N 3.39Å
13V95.9Very high94.3Very high82 Ų8277.4 Ų77.450%0.49739%0.389SS..Hα-helixtrans-63-42.7173.9176.20000110.7D10 K16 L17D10-V13 HydrophobicContact CB-CB 4.02Å; D10-V13 HydrophobicContact CB-CG2 3.91Å; D10-V13 PolarHBondContact OD1-N 3.2Å; V13-K16 PolarHBondContact O-N 2.96Å; V13-L17 WeakPolarHBondContact O-CB 3.48Å; V13-L17 PolarHBondContact O-N 3.41Å
14L96Very high94.6Very high1 Ų171.5 Ų71.51%0.00537%0.366CS..Hα-helixtrans-60.7-50.7176.8178.157.1000111.1F6 D10 E11 E12 K16 L17 L18 H37F6-L14 HydrophobicContact CD2-CD1 3.38Å; F6-L14 HydrophobicContact CE1-CD1 4.46Å; F6-L14 HydrophobicContact CE2-CD1 3.37Å; F6-L14 HydrophobicContact CE2-CD2 3.9Å; F6-L14 HydrophobicContact CE2-CG 4.3Å; F6-L14 HydrophobicContact CG-CD1 4.02Å; F6-L14 HydrophobicContact CZ-CD1 3.94Å; F6-L14 HydrophobicContact CZ-CD2 4.38Å; D10-L14 WeakPolarHBondContact O-CB 3.36Å; D10-L14 PolarHBondContact O-N 2.89Å; E11-L14 PolarHBondContact O-N 3.43Å; E12-L14 VanDerWaalsContact C-N 3.34Å; L14-K16 VanDerWaalsContact C-N 3.28Å; L14-K16 PolarHBondContact O-N 2.98Å; L14-L17 PolarHBondContact O-N 2.61Å; L14-L18 HydrophobicContact CD1-CD1 3.9Å; L14-L18 HydrophobicContact CD1-CD2 4.41Å; L14-L18 HydrophobicContact CD1-CG 3.87Å; L14-L18 HydrophobicContact CD2-CD1 4.48Å; L14-L18 HydrophobicContact CG-CD1 3.83Å; L14-L18 HydrophobicContact CG-CG 4.25Å; L14-L18 WeakPolarHBondContact O-CB 3.35Å; L14-L18 VanDerWaalsContact O-CG 3.31Å; L14-L18 WeakPolarHBondContact O-CG 3.49Å; L14-L18 PolarHBondContact O-N 3.31Å; L14-H37 HydrophobicContact CD2-CB 3.91Å; L14-H37 WeakPolarHBondContact CD2-ND1 3.43Å
15R96.3Very high94.7Very high57 Ų5774.7 Ų74.722%0.21539%0.39CS..Hα-helixtrans-57.5-43179.6-175179.4-127.1-76.94.5111.6E11 E12 S19 T40 E43 V44 E47E11-R15 WeakPolarHBondContact O-CB 3.48Å; E11-R15 PolarHBondContact O-N 2.72Å; E12-R15 PolarHBondContact O-N 3.13Å; R15-S19 VanDerWaalsContact O-CB 3.28Å; R15-S19 WeakPolarHBondContact O-CB 3.45Å; R15-S19 PolarHBondContact O-N 2.49Å; R15-S19 PolarHBondContact O-OG 3.38Å; R15-T40 HydrophobicContact CB-CG2 4.26Å; R15-E43 IonicContact CZ-OE2 3.31Å; R15-E43 IonicContact NE-OE2 3.98Å; R15-E43 IonicContact NH2-OE1 3.74Å; R15-E43 PolarHBondContact NH2-OE1 3.18Å; R15-E43 IonicContact NH2-OE2 3.54Å; R15-E43 PolarHBondContact NH2-OE2 2.8Å; R15-V44 HydrophobicContact CG-CG2 4.22Å; R15-E47 IonicContact CZ-OE1 3.45Å; R15-E47 IonicContact NH1-OE1 2.63Å; R15-E47 PolarHBondContact NH1-OE1 3.18Å; R15-E47 IonicContact NH1-OE2 2.81Å; R15-E47 PolarHBondContact NH1-OE2 2.86Å; R15-E47 IonicContact NH2-OE1 3.92Å; R15-E47 PolarHBondContact NH2-OE1 2.94Å
16K96.3Very high94.7Very high121 Ų12172.3 Ų72.353%0.52637%0.372SS..Hα-helixtrans-61.2-51175.5-173.4-179.5176.7-177.20111.5E12 V13 L14 L18 S19 E20E12-K16 WeakPolarHBondContact O-CB 3.24Å; E12-K16 PolarHBondContact O-N 3.39Å; V13-K16 PolarHBondContact O-N 2.96Å; L14-K16 VanDerWaalsContact C-N 3.28Å; L14-K16 PolarHBondContact O-N 2.98Å; K16-L18 VanDerWaalsContact C-N 3.35Å; K16-L18 PolarHBondContact O-N 3.35Å; K16-S19 PolarHBondContact O-N 2.73Å; K16-E20 VanDerWaalsContact CE-CD 3.41Å; K16-E20 VanDerWaalsContact CE-OE1 3.24Å; K16-E20 WeakPolarHBondContact CE-OE1 3.11Å; K16-E20 WeakPolarHBondContact CE-OE2 3.31Å; K16-E20 HydrophobicContact CG-CG 4.32Å; K16-E20 WeakPolarHBondContact CG-OE1 3.24Å; K16-E20 IonicContact NZ-OE2 2.98Å; K16-E20 WeakPolarHBondContact O-CB 3.24Å; K16-E20 PolarHBondContact O-N 3.06Å
17L96.3Very high94.8Very high67 Ų6774.8 Ų74.835%0.35138%0.38SS..Hα-helixtrans-57.7-47.3178.9-177.1153.2000111.5F6 V13 L14 S19 E21F6-L17 HydrophobicContact CB-CD2 4.4Å; V13-L17 WeakPolarHBondContact O-CB 3.48Å; V13-L17 PolarHBondContact O-N 3.41Å; L14-L17 PolarHBondContact O-N 2.61Å; L17-S19 VanDerWaalsContact C-N 3.26Å; L17-S19 PolarHBondContact O-N 2.92Å; L17-E21 HydrophobicContact CG-CB 4.44Å; L17-E21 HydrophobicContact CG-CG 4.44Å; L17-E21 WeakPolarHBondContact O-CB 3.28Å; L17-E21 PolarHBondContact O-N 3Å
18L96.2Very high95Very high0 Ų066.5 Ų66.50%034%0.344CS..Hα-helixtrans-60.6-37.6176.4-70175.2000111.5F6 L14 K16 V22 W24 I30 T40 L41 V44F6-L18 HydrophobicContact CD1-CD2 4.16Å; F6-L18 HydrophobicContact CE1-CD2 4.05Å; L14-L18 HydrophobicContact CD1-CD1 3.9Å; L14-L18 HydrophobicContact CD1-CD2 4.41Å; L14-L18 HydrophobicContact CD1-CG 3.87Å; L14-L18 HydrophobicContact CD2-CD1 4.48Å; L14-L18 HydrophobicContact CG-CD1 3.83Å; L14-L18 HydrophobicContact CG-CG 4.25Å; L14-L18 WeakPolarHBondContact O-CB 3.35Å; L14-L18 VanDerWaalsContact O-CG 3.31Å; L14-L18 WeakPolarHBondContact O-CG 3.49Å; L14-L18 PolarHBondContact O-N 3.31Å; K16-L18 VanDerWaalsContact C-N 3.35Å; K16-L18 PolarHBondContact O-N 3.35Å; L18-V22 HydrophobicContact CD2-CG2 4.14Å; L18-W24 HydrophobicContact CB-CZ2 4.34Å; L18-W24 PolarHBondContact O-NE1 3.41Å; L18-I30 HydrophobicContact CD2-CD1 4.43Å; L18-T40 HydrophobicContact CD1-CG2 4.25Å; L18-L41 HydrophobicContact CD1-CD2 3.7Å; L18-L41 HydrophobicContact CD1-CG 4.21Å; L18-L41 HydrophobicContact CD2-CD2 3.71Å; L18-L41 HydrophobicContact CG-CD2 4.36Å; L18-V44 HydrophobicContact CB-CG1 4.2Å; L18-V44 HydrophobicContact CB-CG2 4.35Å
19S95.1Very high95.1Very high29 Ų2966.2 Ų66.220%0.20334%0.341CS..Hα-helixtrans-77.1-35.8-176.5-61.40000113.7R15 K16 L17 K48R15-S19 VanDerWaalsContact O-CB 3.28Å; R15-S19 WeakPolarHBondContact O-CB 3.45Å; R15-S19 PolarHBondContact O-N 2.49Å; R15-S19 PolarHBondContact O-OG 3.38Å; K16-S19 PolarHBondContact O-N 2.73Å; L17-S19 VanDerWaalsContact C-N 3.26Å; L17-S19 PolarHBondContact O-N 2.92Å; S19-K48 PolarHBondContact O-NZ 2.96Å
20E95.1Very high95.3Very high126 Ų12660 Ų6059%0.58930%0.303SS*.Hα-helixtrans-101.8-38.2-169.3-65.4179.2-173.400113.1K16K16-E20 VanDerWaalsContact CE-CD 3.41Å; K16-E20 VanDerWaalsContact CE-OE1 3.24Å; K16-E20 WeakPolarHBondContact CE-OE1 3.11Å; K16-E20 WeakPolarHBondContact CE-OE2 3.31Å; K16-E20 HydrophobicContact CG-CG 4.32Å; K16-E20 WeakPolarHBondContact CG-OE1 3.24Å; K16-E20 IonicContact NZ-OE2 2.98Å; K16-E20 WeakPolarHBondContact O-CB 3.24Å; K16-E20 PolarHBondContact O-N 3.06Å
21E94.9Very high95.2Very high144 Ų14456.7 Ų56.767%0.67329%0.288SS*.THydrogen-bonded Turntrans-102.5-20.6-168.2-57.5-60.7148.800113.6L17L17-E21 HydrophobicContact CG-CB 4.44Å; L17-E21 HydrophobicContact CG-CG 4.44Å; L17-E21 WeakPolarHBondContact O-CB 3.28Å; L17-E21 PolarHBondContact O-N 3Å
22V94.9Very high95.2Very high18 Ų1854.4 Ų54.411%0.10928%0.284CS..SBendtrans-85.8125178.8179.60000110.1L18 W24 F28L18-V22 HydrophobicContact CD2-CG2 4.14Å; V22-W24 HydrophobicContact CB-CZ2 4.43Å; V22-W24 HydrophobicContact CG1-CD2 4.19Å; V22-W24 HydrophobicContact CG1-CG 4.39Å; V22-W24 HydrophobicContact CG1-CZ2 4.22Å; V22-W24 PolarHBondContact O-N 2.85Å; V22-W24 VanDerWaalsContact O-N 3.13Å; V22-F28 HydrophobicContact CG1-CE1 4.31Å; V22-F28 HydrophobicContact CG1-CE2 3.76Å; V22-F28 HydrophobicContact CG1-CZ 3.58Å
23D95.1Very high95.2Very high67 Ų6747.8 Ų47.836%0.35825%0.253SS..  trans-79.192171.4176.814000111.1S25 T26D23-S25 PolarHBondContact O-N 3.32Å; D23-S25 WeakPolarHBondContact OD1-CB 3.46Å; D23-S25 PolarHBondContact OD1-N 3.49Å; D23-S25 PolarHBondContact OD1-OG 2.97Å; D23-T26 PolarHBondContact O-OG1 3.14Å; D23-T26 WeakPolarHBondContact OD2-CG2 3.26Å
24W96.4Very high95.1Very high13 Ų1345.6 Ų45.65%0.04924%0.239CC..THydrogen-bonded Turntrans-73-7.6178.7-63.690.9000114.3L18 V22 T26 F28 L41 V44 K48 V50 F206 N207L18-W24 HydrophobicContact CB-CZ2 4.34Å; L18-W24 PolarHBondContact O-NE1 3.41Å; V22-W24 HydrophobicContact CB-CZ2 4.43Å; V22-W24 HydrophobicContact CG1-CD2 4.19Å; V22-W24 HydrophobicContact CG1-CG 4.39Å; V22-W24 HydrophobicContact CG1-CZ2 4.22Å; V22-W24 PolarHBondContact O-N 2.85Å; V22-W24 VanDerWaalsContact O-N 3.13Å; W24-T26 PolarHBondContact O-N 3.05Å; W24-F28 HydrophobicContact CD2-CE1 4.44Å; W24-F28 HydrophobicContact CD2-CZ 4.13Å; W24-F28 AromaticContact CE3-CE1 3.94Å; W24-F28 HydrophobicContact CE3-CE1 3.94Å; W24-F28 AromaticContact CE3-CZ 3.63Å; W24-F28 HydrophobicContact CE3-CZ 3.63Å; W24-F28 HydrophobicContact CH2-CZ 4.3Å; W24-F28 HydrophobicContact CZ3-CE1 4.42Å; W24-F28 AromaticContact CZ3-CZ 3.74Å; W24-F28 HydrophobicContact CZ3-CZ 3.74Å; W24-L41 HydrophobicContact CH2-CD2 4.44Å; W24-V44 HydrophobicContact CH2-CG1 4.21Å; W24-V44 HydrophobicContact CZ2-CB 4.3Å; W24-V44 HydrophobicContact CZ2-CG1 3.52Å; W24-K48 HydrophobicContact CB-CB 4.16Å; W24-K48 HydrophobicContact CB-CD 4.47Å; W24-K48 HydrophobicContact CB-CG 4.24Å; W24-K48 HydrophobicContact CD2-CB 4.27Å; W24-K48 HydrophobicContact CD2-CG 3.96Å; W24-K48 HydrophobicContact CG-CB 4.07Å; W24-K48 HydrophobicContact CG-CD 4.13Å; W24-K48 HydrophobicContact CG-CG 3.72Å; W24-V50 HydrophobicContact CE3-CG2 3.72Å; W24-V50 HydrophobicContact CZ3-CG2 4.16Å; W24-F206 HydrophobicContact CH2-CD1 4.41Å; W24-F206 HydrophobicContact CH2-CE1 4.38Å; W24-F206 HydrophobicContact CZ3-CB 4.41Å; W24-F206 AromaticContact CZ3-CD1 3.62Å; W24-F206 HydrophobicContact CZ3-CD1 3.62Å; W24-F206 HydrophobicContact CZ3-CE1 4.02Å; W24-F206 HydrophobicContact CZ3-CG 4.04Å; W24-N207 PolarHBondContact O-ND2 2.79Å
25S94.9Very high95Very high93 Ų9348.7 Ų48.765%0.6526%0.255SS*.THydrogen-bonded Turntrans-77.8-11.1-177.374.50000113.6D23 N207D23-S25 PolarHBondContact O-N 3.32Å; D23-S25 WeakPolarHBondContact OD1-CB 3.46Å; D23-S25 PolarHBondContact OD1-N 3.49Å; D23-S25 PolarHBondContact OD1-OG 2.97Å; S25-N207 PolarHBondContact O-ND2 2.84Å; S25-N207 VanDerWaalsContact O-ND2 3.12Å
26T94.7Very high94.9Very high50 Ų5049.4 Ų49.431%0.30727%0.268SS..SBendtrans-111.1163.6-176.463.90000111.9D23 W24 F28 N207D23-T26 PolarHBondContact O-OG1 3.14Å; D23-T26 WeakPolarHBondContact OD2-CG2 3.26Å; W24-T26 PolarHBondContact O-N 3.05Å; T26-F28 VanDerWaalsContact O-CD1 3.32Å; T26-F28 WeakPolarHBondContact O-CD1 3.23Å; T26-N207 WeakPolarHBondContact O-CB 3.42Å; T26-N207 PolarHBondContact O-ND2 2.99Å
27Y94.9Very high94.8Very high82 Ų8244.7 Ų44.732%0.32225%0.248SC..  trans-78.2118.8168.7173.2-133.6000111.3M1 E205 F206 N207 F208M1-Y27 HydrophobicContact CB-CD1 4.26Å; M1-Y27 HydrophobicContact CB-CE1 4.07Å; M1-Y27 HydrophobicContact CG-CD1 4.01Å; M1-Y27 HydrophobicContact CG-CE1 3.75Å; M1-Y27 HydrophobicContact SD-CD1 4.37Å; M1-Y27 HydrophobicContact SD-CE1 3.54Å; M1-Y27 VanDerWaalsContact SD-CE1 3.54Å; M1-Y27 HydrophobicContact SD-CE2 4.11Å; M1-Y27 PolarHBondContact SD-OH 3.05Å; M1-Y27 VanDerWaalsContact SD-OH 3.38Å; Y27-E205 HydrophobicContact CE2-CB 4.13Å; Y27-E205 HydrophobicContact CE2-CG 4.27Å; Y27-E205 PolarHBondContact OH-OE1 3.09Å; Y27-F206 WeakPolarHBondContact CD2-O 3.47Å; Y27-N207 VanDerWaalsContact CA-O 3.32Å; Y27-N207 WeakPolarHBondContact CA-O 3.39Å; Y27-N207 WeakPolarHBondContact CB-O 3.37Å; Y27-F208 HydrophobicContact CD2-CB 3.71Å; Y27-F208 HydrophobicContact CE2-CB 3.67Å; Y27-F208 HydrophobicContact CG-CB 4.49Å
28F95.4Very high94.7Very high1 Ų142.4 Ų42.40%0.00424%0.237CC..EExtended strand (participates in β ladder)trans-144.2164.1-178.271.6-78.7000113.9K2 V4 V22 W24 T26 I30 F206K2-F28 HydrophobicContact CB-CB 3.96Å; K2-F28 WeakPolarHBondContact O-CA 3.46Å; V4-F28 HydrophobicContact CB-CD2 4.36Å; V4-F28 HydrophobicContact CG2-CD2 3.84Å; V4-F28 HydrophobicContact CG2-CE2 4.44Å; V22-F28 HydrophobicContact CG1-CE1 4.31Å; V22-F28 HydrophobicContact CG1-CE2 3.76Å; V22-F28 HydrophobicContact CG1-CZ 3.58Å; W24-F28 HydrophobicContact CD2-CE1 4.44Å; W24-F28 HydrophobicContact CD2-CZ 4.13Å; W24-F28 AromaticContact CE3-CE1 3.94Å; W24-F28 HydrophobicContact CE3-CE1 3.94Å; W24-F28 AromaticContact CE3-CZ 3.63Å; W24-F28 HydrophobicContact CE3-CZ 3.63Å; W24-F28 HydrophobicContact CH2-CZ 4.3Å; W24-F28 HydrophobicContact CZ3-CE1 4.42Å; W24-F28 AromaticContact CZ3-CZ 3.74Å; W24-F28 HydrophobicContact CZ3-CZ 3.74Å; T26-F28 VanDerWaalsContact O-CD1 3.32Å; T26-F28 WeakPolarHBondContact O-CD1 3.23Å; F28-I30 HydrophobicContact CD2-CG1 3.94Å; F28-I30 HydrophobicContact CE2-CD1 3.88Å; F28-I30 HydrophobicContact CE2-CG1 3.52Å; F28-F206 HydrophobicContact CD1-CB 4.14Å; F28-F206 HydrophobicContact CE1-CB 3.63Å; F28-F206 HydrophobicContact CE1-CG 4.42Å; F28-F206 HydrophobicContact CE2-CB 4.3Å; F28-F206 AromaticContact CE2-CD2 3.99Å; F28-F206 HydrophobicContact CE2-CD2 3.99Å; F28-F206 HydrophobicContact CE2-CG 4.36Å; F28-F206 HydrophobicContact CZ-CB 3.73Å; F28-F206 HydrophobicContact CZ-CD2 4.11Å; F28-F206 HydrophobicContact CZ-CG 4.02Å; F28-F206 PolarHBondContact N-O 3.15Å; F28-F206 PolarHBondContact O-N 3.31Å
29L95.3Very high94.7Very high12 Ų1246.6 Ų46.66%0.06326%0.264CS..EExtended strand (participates in β ladder)trans-117.2126176.3178.381000108.5M1 K2 R3 V4 F55 W203 F204 E205M1-L29 HydrophobicContact CE-CB 3.58Å; M1-L29 HydrophobicContact CE-CD2 3.7Å; M1-L29 HydrophobicContact CE-CG 4.17Å; M1-L29 HydrophobicContact CG-CB 4.41Å; M1-L29 HydrophobicContact SD-CB 3.89Å; K2-L29 PolarHBondContact O-N 2.93Å; R3-L29 CarbonylContact C-O 3.47Å; R3-L29 WeakPolarHBondContact CA-O 3.28Å; R3-L29 HydrophobicContact CG-CD2 4.47Å; V4-L29 PolarHBondContact N-O 2.98Å; L29-F55 HydrophobicContact CD1-CB 4.23Å; L29-F55 HydrophobicContact CD1-CD1 4.5Å; L29-F55 HydrophobicContact CD1-CG 4.33Å; L29-W203 HydrophobicContact CD1-CB 4.25Å; L29-F204 CarbonylContact C-O 3.54Å; L29-F204 WeakPolarHBondContact CA-O 3.35Å; L29-F204 WeakPolarHBondContact CD1-O 3.46Å; L29-E205 HydrophobicContact CD1-CG 3.63Å
30I95.9Very high94.7Very high0 Ų046 Ų460%026%0.259CS..EExtended strand (participates in β ladder)trans-91.2123.1162.1-54.7-175.7000107.3V4 F6 L18 F28 F33 L41 W203 F204 F206V4-I30 HydrophobicContact CB-CG1 4.24Å; V4-I30 HydrophobicContact CG1-CG1 4.5Å; V4-I30 CarbonylContact O-C 3.55Å; V4-I30 VanDerWaalsContact O-CA 3.29Å; V4-I30 WeakPolarHBondContact O-CA 3.4Å; F6-I30 HydrophobicContact CD1-CG2 3.84Å; F6-I30 HydrophobicContact CE1-CD1 4.13Å; F6-I30 HydrophobicContact CE1-CG2 3.55Å; L18-I30 HydrophobicContact CD2-CD1 4.43Å; F28-I30 HydrophobicContact CD2-CG1 3.94Å; F28-I30 HydrophobicContact CE2-CD1 3.88Å; F28-I30 HydrophobicContact CE2-CG1 3.52Å; I30-F33 HydrophobicContact CB-CD1 4.19Å; I30-F33 HydrophobicContact CB-CE1 4.36Å; I30-F33 HydrophobicContact CG2-CB 4.38Å; I30-F33 HydrophobicContact CG2-CD1 3.57Å; I30-F33 HydrophobicContact CG2-CE1 4.2Å; I30-F33 HydrophobicContact CG2-CG 4.19Å; I30-L41 HydrophobicContact CD1-CD2 3.44Å; I30-L41 VanDerWaalsContact CD1-CD2 3.44Å; I30-W203 WeakPolarHBondContact O-CA 3.46Å; I30-F204 PolarHBondContact N-O 3.02Å; I30-F204 PolarHBondContact O-N 3.43Å; I30-F206 HydrophobicContact CB-CE2 4.16Å; I30-F206 HydrophobicContact CD1-CD2 4.26Å; I30-F206 HydrophobicContact CD1-CE2 3.71Å; I30-F206 HydrophobicContact CD1-CZ 4.3Å; I30-F206 HydrophobicContact CG1-CD2 4.07Å; I30-F206 HydrophobicContact CG1-CE2 3.77Å
31G93.1Very high94.8Very high10 Ų1040 Ų4010%0.10323%0.231CC..EExtended strand (participates in β ladder)trans-119.7137.2-175.500000114.1V4 S5V4-G31 PolarHBondContact O-N 3.25Å; S5-G31 PolarHBondContact OG-O 2.89Å; S5-G31 VanDerWaalsContact OG-O 3.13Å
32G92.2Very high94.9Very high27 Ų2738 Ų3828%0.27822%0.22SC..EExtended strand (participates in β ladder)trans74.628.9169.400000114Y199 A202 W203G32-Y199 PolarHBondContact O-OH 2.99Å; G32-A202 PolarHBondContact N-O 3.15Å; G32-A202 VanDerWaalsContact N-O 3.09Å; G32-W203 VanDerWaalsContact CA-CH2 3.43Å; G32-W203 VanDerWaalsContact CA-CZ2 3.45Å
33F94.1Very high95Very high4 Ų441.9 Ų41.92%0.01824%0.237CC..EExtended strand (participates in β ladder)trans-92.2155.5176.170.9-85.1000110.3F6 I30 H37 V38 L41 A201 A202 F204F6-F33 HydrophobicContact CE1-CB 4.09Å; F6-F33 HydrophobicContact CE1-CG 4.39Å; F6-F33 HydrophobicContact CE2-CB 4.13Å; F6-F33 HydrophobicContact CZ-CB 3.69Å; F6-F33 HydrophobicContact CZ-CD2 4.24Å; F6-F33 HydrophobicContact CZ-CG 4.08Å; I30-F33 HydrophobicContact CB-CD1 4.19Å; I30-F33 HydrophobicContact CB-CE1 4.36Å; I30-F33 HydrophobicContact CG2-CB 4.38Å; I30-F33 HydrophobicContact CG2-CD1 3.57Å; I30-F33 HydrophobicContact CG2-CE1 4.2Å; I30-F33 HydrophobicContact CG2-CG 4.19Å; F33-H37 HydrophobicContact CD2-CB 4.29Å; F33-V38 HydrophobicContact CE2-CG2 3.76Å; F33-V38 HydrophobicContact CZ-CG2 4.13Å; F33-L41 HydrophobicContact CD1-CD1 4.32Å; F33-L41 HydrophobicContact CD2-CD1 3.6Å; F33-L41 HydrophobicContact CE1-CD1 4Å; F33-L41 HydrophobicContact CE2-CD1 3.25Å; F33-L41 HydrophobicContact CG-CD1 4.14Å; F33-L41 HydrophobicContact CZ-CD1 3.46Å; F33-L41 VanDerWaalsContact CZ-CD1 3.46Å; F33-A201 CarbonylContact O-C 3.57Å; F33-A201 WeakPolarHBondContact O-CA 3.41Å; F33-A202 WeakPolarHBondContact CD1-O 3.3Å; F33-A202 HydrophobicContact CE1-CB 3.98Å; F33-A202 VanDerWaalsContact CE1-O 3.28Å; F33-A202 WeakPolarHBondContact CE1-O 3.34Å; F33-A202 HydrophobicContact CE2-CB 4.04Å; F33-A202 HydrophobicContact CZ-CB 3.68Å; F33-A202 PolarHBondContact N-O 3.31Å; F33-A202 PolarHBondContact O-N 3.4Å; F33-F204 HydrophobicContact CE1-CB 3.95Å; F33-F204 AromaticContact CE1-CD1 3.87Å; F33-F204 HydrophobicContact CE1-CD1 3.87Å; F33-F204 HydrophobicContact CE1-CG 4.11Å; F33-F204 HydrophobicContact CZ-CB 4.11Å; F33-F204 AromaticContact CZ-CD1 3.5Å; F33-F204 HydrophobicContact CZ-CD1 3.5Å; F33-F204 VanDerWaalsContact CZ-CD1 3.5Å; F33-F204 HydrophobicContact CZ-CE1 4.03Å; F33-F204 AromaticContact CZ-CG 3.8Å; F33-F204 HydrophobicContact CZ-CG 3.8Å
34D94.2Very high95.1Very high36 Ų3638.7 Ų38.719%0.19322%0.22CC..EExtended strand (participates in β ladder)trans-65.5131.9175.4-164.9-42.4000111S36 H37 Y199 R200D34-S36 PolarHBondContact O-N 2.9Å; D34-S36 WeakPolarHBondContact OD1-CB 3.46Å; D34-S36 PolarHBondContact OD1-N 2.95Å; D34-S36 PolarHBondContact OD1-OG 2.91Å; D34-H37 PolarHBondContact O-N 2.81Å; D34-Y199 HydrophobicContact CB-CD2 3.99Å; D34-Y199 HydrophobicContact CB-CE2 3.61Å; D34-Y199 VanDerWaalsContact OD2-CD2 3.23Å; D34-Y199 WeakPolarHBondContact OD2-CD2 3.27Å; D34-R200 CarbonylContact C-O 3.58Å; D34-R200 WeakPolarHBondContact CA-O 3.48Å
35I93.8Very high95.1Very high66 Ų6638.1 Ų38.134%0.33822%0.218SC..G310 helixtrans-54.7-25.8176.3-157.8-173.6000112.8H37 V38 L57 R200I35-H37 PolarHBondContact O-N 3.42Å; I35-H37 VanDerWaalsContact O-N 3.14Å; I35-V38 HydrophobicContact CG1-CG2 3.8Å; I35-V38 VanDerWaalsContact O-CB 3.28Å; I35-V38 WeakPolarHBondContact O-CB 3.46Å; I35-V38 VanDerWaalsContact O-CG2 3.23Å; I35-V38 WeakPolarHBondContact O-CG2 3.49Å; I35-V38 PolarHBondContact O-N 3.27Å; I35-L57 HydrophobicContact CD1-CD2 3.42Å; I35-L57 VanDerWaalsContact CD1-CD2 3.42Å; I35-L57 HydrophobicContact CG1-CD2 4.27Å; I35-R200 HydrophobicContact CB-CB 4.22Å; I35-R200 HydrophobicContact CG2-CB 3.75Å; I35-R200 PolarHBondContact N-O 3.13Å
36S93.3Very high95.2Very high71 Ų7137.9 Ų37.950%0.49722%0.216SC..G310 helixtrans-57.6-25.5176.362.30000112.9D34 P39D34-S36 PolarHBondContact O-N 2.9Å; D34-S36 WeakPolarHBondContact OD1-CB 3.46Å; D34-S36 PolarHBondContact OD1-N 2.95Å; D34-S36 PolarHBondContact OD1-OG 2.91Å; S36-P39 VanDerWaalsContact O-CD 3.26Å; S36-P39 WeakPolarHBondContact O-CD 3.38Å
37H94.9Very high95.3Very high22 Ų2240.2 Ų40.210%0.10222%0.224CC..G310 helixtrans-87-0.7176.7-57.7-55.1000114.6F6 E11 L14 F33 D34 I35 P39 T40 L41F6-H37 AromaticContact CE2-CD2 3.92Å; F6-H37 HydrophobicContact CZ-CB 4.39Å; E11-H37 IonicContact OE2-CE1 3.89Å; E11-H37 IonicContact OE2-ND1 3.32Å; E11-H37 PolarHBondContact OE2-ND1 3.23Å; L14-H37 HydrophobicContact CD2-CB 3.91Å; L14-H37 WeakPolarHBondContact CD2-ND1 3.43Å; F33-H37 HydrophobicContact CD2-CB 4.29Å; D34-H37 PolarHBondContact O-N 2.81Å; I35-H37 PolarHBondContact O-N 3.42Å; I35-H37 VanDerWaalsContact O-N 3.14Å; H37-P39 VanDerWaalsContact C-CD 3.45Å; H37-T40 PolarHBondContact O-N 3.32Å; H37-L41 PolarHBondContact O-N 2.95Å
38V94.6Very high95.4Very high19 Ų1940.4 Ų40.412%0.11523%0.226CC..Hα-helixtrans-55.3-42.5177.5169.50000113.1F33 I35 T40 L41 K42 F204F33-V38 HydrophobicContact CE2-CG2 3.76Å; F33-V38 HydrophobicContact CZ-CG2 4.13Å; I35-V38 HydrophobicContact CG1-CG2 3.8Å; I35-V38 VanDerWaalsContact O-CB 3.28Å; I35-V38 WeakPolarHBondContact O-CB 3.46Å; I35-V38 VanDerWaalsContact O-CG2 3.23Å; I35-V38 WeakPolarHBondContact O-CG2 3.49Å; I35-V38 PolarHBondContact O-N 3.27Å; V38-T40 PolarHBondContact O-N 3.07Å; V38-L41 PolarHBondContact O-N 3.44Å; V38-K42 HydrophobicContact CG1-CD 3.96Å; V38-K42 HydrophobicContact CG1-CG 4.28Å; V38-K42 WeakPolarHBondContact O-CB 3.23Å; V38-K42 WeakPolarHBondContact O-CG 3.48Å; V38-K42 PolarHBondContact O-N 2.96Å; V38-F204 HydrophobicContact CG1-CE2 4.07Å; V38-F204 HydrophobicContact CG1-CZ 3.93Å; V38-F204 HydrophobicContact CG2-CE1 4.04Å; V38-F204 HydrophobicContact CG2-CE2 4.36Å; V38-F204 HydrophobicContact CG2-CZ 3.75Å
39P95.4Very high95.5Very high88 Ų8851.5 Ų51.557%0.57127%0.268SS*.Hα-helixtrans-57.3-49.2177.9-25.436.4000112.5S36 H37 K42 E43S36-P39 VanDerWaalsContact O-CD 3.26Å; S36-P39 WeakPolarHBondContact O-CD 3.38Å; H37-P39 VanDerWaalsContact C-CD 3.45Å; P39-K42 PolarHBondContact O-N 2.95Å; P39-E43 PolarHBondContact O-N 2.91Å
40T96.3Very high95.6Very high16 Ų1652 Ų5210%0.09827%0.271CS..Hα-helixtrans-64.4-43.2179.8-53.10000111.9E11 R15 L18 H37 V38 K42 E43 V44E11-T40 WeakPolarHBondContact OE1-CB 3.43Å; E11-T40 VanDerWaalsContact OE1-CG2 3.24Å; E11-T40 WeakPolarHBondContact OE1-CG2 3.42Å; E11-T40 PolarHBondContact OE1-OG1 2.98Å; R15-T40 HydrophobicContact CB-CG2 4.26Å; L18-T40 HydrophobicContact CD1-CG2 4.25Å; H37-T40 PolarHBondContact O-N 3.32Å; V38-T40 PolarHBondContact O-N 3.07Å; T40-K42 VanDerWaalsContact C-N 3.31Å; T40-K42 PolarHBondContact O-N 2.93Å; T40-E43 PolarHBondContact O-N 3.36Å; T40-V44 HydrophobicContact CG2-CG2 4.37Å; T40-V44 WeakPolarHBondContact O-CG2 3.34Å; T40-V44 PolarHBondContact O-N 3.38Å
41L96.4Very high95.6Very high0 Ų055.1 Ų55.10%029%0.288CS..Hα-helixtrans-60-41.7175-80.9169.8000112.2F6 L18 W24 I30 F33 H37 V38 S45 F206F6-L41 HydrophobicContact CE1-CD1 4.27Å; F6-L41 HydrophobicContact CE1-CD2 4.19Å; F6-L41 HydrophobicContact CZ-CD1 4.16Å; L18-L41 HydrophobicContact CD1-CD2 3.7Å; L18-L41 HydrophobicContact CD1-CG 4.21Å; L18-L41 HydrophobicContact CD2-CD2 3.71Å; L18-L41 HydrophobicContact CG-CD2 4.36Å; W24-L41 HydrophobicContact CH2-CD2 4.44Å; I30-L41 HydrophobicContact CD1-CD2 3.44Å; I30-L41 VanDerWaalsContact CD1-CD2 3.44Å; F33-L41 HydrophobicContact CD1-CD1 4.32Å; F33-L41 HydrophobicContact CD2-CD1 3.6Å; F33-L41 HydrophobicContact CE1-CD1 4Å; F33-L41 HydrophobicContact CE2-CD1 3.25Å; F33-L41 HydrophobicContact CG-CD1 4.14Å; F33-L41 HydrophobicContact CZ-CD1 3.46Å; F33-L41 VanDerWaalsContact CZ-CD1 3.46Å; H37-L41 PolarHBondContact O-N 2.95Å; V38-L41 PolarHBondContact O-N 3.44Å; L41-S45 WeakPolarHBondContact O-CB 3.21Å; L41-S45 PolarHBondContact O-N 3.42Å; L41-S45 PolarHBondContact O-OG 2.88Å; L41-F206 HydrophobicContact CB-CZ 4.2Å; L41-F206 HydrophobicContact CD2-CZ 4.18Å
42K96.1Very high95.8Very high103 Ų10357 Ų5745%0.44830%0.296SS..Hα-helixtrans-65.6-43.4176.4-77.7-178.3175.3-1800111.5V38 P39 T40 S45 S46V38-K42 HydrophobicContact CG1-CD 3.96Å; V38-K42 HydrophobicContact CG1-CG 4.28Å; V38-K42 WeakPolarHBondContact O-CB 3.23Å; V38-K42 WeakPolarHBondContact O-CG 3.48Å; V38-K42 PolarHBondContact O-N 2.96Å; P39-K42 PolarHBondContact O-N 2.95Å; T40-K42 VanDerWaalsContact C-N 3.31Å; T40-K42 PolarHBondContact O-N 2.93Å; K42-S45 WeakPolarHBondContact CA-OG 3.27Å; K42-S45 PolarHBondContact O-N 3.36Å; K42-S45 PolarHBondContact O-OG 2.72Å; K42-S46 WeakPolarHBondContact O-CB 3.35Å; K42-S46 PolarHBondContact O-N 2.8Å
43E97Very high95.9Very high99 Ų9961.4 Ų61.446%0.46330%0.304SS..Hα-helixtrans-61.5-53.4178.2-164.2-179.7-170.700111.6R15 P39 T40 S45 S46 E47R15-E43 IonicContact CZ-OE2 3.31Å; R15-E43 IonicContact NE-OE2 3.98Å; R15-E43 IonicContact NH2-OE1 3.74Å; R15-E43 PolarHBondContact NH2-OE1 3.18Å; R15-E43 IonicContact NH2-OE2 3.54Å; R15-E43 PolarHBondContact NH2-OE2 2.8Å; P39-E43 PolarHBondContact O-N 2.91Å; T40-E43 PolarHBondContact O-N 3.36Å; E43-S45 VanDerWaalsContact C-N 3.32Å; E43-S45 PolarHBondContact O-N 3.4Å; E43-S46 WeakPolarHBondContact O-CB 3.49Å; E43-S46 PolarHBondContact O-N 2.98Å; E43-E47 WeakPolarHBondContact O-CG 3.43Å; E43-E47 PolarHBondContact O-N 3.03Å
44V97.2Very high95.9Very high0 Ų063.9 Ų63.90%032%0.322CS..Hα-helixtrans-60.3-42.6177.4178.30000110.8R15 L18 W24 T40 S46 E47 K48R15-V44 HydrophobicContact CG-CG2 4.22Å; L18-V44 HydrophobicContact CB-CG1 4.2Å; L18-V44 HydrophobicContact CB-CG2 4.35Å; W24-V44 HydrophobicContact CH2-CG1 4.21Å; W24-V44 HydrophobicContact CZ2-CB 4.3Å; W24-V44 HydrophobicContact CZ2-CG1 3.52Å; T40-V44 HydrophobicContact CG2-CG2 4.37Å; T40-V44 WeakPolarHBondContact O-CG2 3.34Å; T40-V44 PolarHBondContact O-N 3.38Å; V44-S46 VanDerWaalsContact C-N 3.26Å; V44-S46 PolarHBondContact O-N 3.09Å; V44-E47 PolarHBondContact O-N 3.46Å; V44-K48 HydrophobicContact CG1-CG 4.25Å; V44-K48 WeakPolarHBondContact O-CB 3.2Å; V44-K48 WeakPolarHBondContact O-CG 3.29Å; V44-K48 PolarHBondContact O-N 2.86Å
45S96.9Very high95.7Very high1 Ų165.8 Ų65.81%0.00733%0.329CS..Hα-helixtrans-62.7-33.9177.374.80000112.8L41 K42 E43 K48 R49 V50 N52L41-S45 WeakPolarHBondContact O-CB 3.21Å; L41-S45 PolarHBondContact O-N 3.42Å; L41-S45 PolarHBondContact O-OG 2.88Å; K42-S45 WeakPolarHBondContact CA-OG 3.27Å; K42-S45 PolarHBondContact O-N 3.36Å; K42-S45 PolarHBondContact O-OG 2.72Å; E43-S45 VanDerWaalsContact C-N 3.32Å; E43-S45 PolarHBondContact O-N 3.4Å; S45-K48 CarbonylContact O-C 3.5Å; S45-K48 PolarHBondContact O-N 3.01Å; S45-R49 PolarHBondContact O-N 2.63Å; S45-V50 PolarHBondContact O-N 3.43Å; S45-N52 PolarHBondContact OG-ND2 2.63Å
46S97.4Very high95.6Very high88 Ų8863.5 Ų63.562%0.61532%0.318SS*.Hα-helixtrans-70.2-43.5176.2-172.70000111.5K42 E43 V44 K48 R49K42-S46 WeakPolarHBondContact O-CB 3.35Å; K42-S46 PolarHBondContact O-N 2.8Å; E43-S46 WeakPolarHBondContact O-CB 3.49Å; E43-S46 PolarHBondContact O-N 2.98Å; V44-S46 VanDerWaalsContact C-N 3.26Å; V44-S46 PolarHBondContact O-N 3.09Å; S46-K48 VanDerWaalsContact C-N 3.26Å; S46-K48 PolarHBondContact O-N 2.98Å; S46-R49 WeakPolarHBondContact O-CA 3.36Å; S46-R49 PolarHBondContact O-N 2.95Å
47E97.4Very high95.7Very high100 Ų10062.4 Ų62.447%0.46731%0.306SS..Hα-helixtrans-58.5-40.1172.9-69.1172.5-171.600111.4R15 E43 V44 R49R15-E47 IonicContact CZ-OE1 3.45Å; R15-E47 IonicContact NH1-OE1 2.63Å; R15-E47 PolarHBondContact NH1-OE1 3.18Å; R15-E47 IonicContact NH1-OE2 2.81Å; R15-E47 PolarHBondContact NH1-OE2 2.86Å; R15-E47 IonicContact NH2-OE1 3.92Å; R15-E47 PolarHBondContact NH2-OE1 2.94Å; E43-E47 WeakPolarHBondContact O-CG 3.43Å; E43-E47 PolarHBondContact O-N 3.03Å; V44-E47 PolarHBondContact O-N 3.46Å; E47-R49 PolarHBondContact O-N 2.72Å
48K97Very high95.8Very high86 Ų8661.7 Ų61.737%0.37430%0.303SS..THydrogen-bonded Turntrans-78.1-4.6175.4-60.2-68.7-175.3177.40113.6S19 W24 V44 S45 S46 V50S19-K48 PolarHBondContact O-NZ 2.96Å; W24-K48 HydrophobicContact CB-CB 4.16Å; W24-K48 HydrophobicContact CB-CD 4.47Å; W24-K48 HydrophobicContact CB-CG 4.24Å; W24-K48 HydrophobicContact CD2-CB 4.27Å; W24-K48 HydrophobicContact CD2-CG 3.96Å; W24-K48 HydrophobicContact CG-CB 4.07Å; W24-K48 HydrophobicContact CG-CD 4.13Å; W24-K48 HydrophobicContact CG-CG 3.72Å; V44-K48 HydrophobicContact CG1-CG 4.25Å; V44-K48 WeakPolarHBondContact O-CB 3.2Å; V44-K48 WeakPolarHBondContact O-CG 3.29Å; V44-K48 PolarHBondContact O-N 2.86Å; S45-K48 CarbonylContact O-C 3.5Å; S45-K48 PolarHBondContact O-N 3.01Å; S46-K48 VanDerWaalsContact C-N 3.26Å; S46-K48 PolarHBondContact O-N 2.98Å; K48-V50 VanDerWaalsContact C-N 3.34Å; K48-V50 PolarHBondContact O-N 3Å
49R97.1Very high95.9Very high234 Ų23461.7 Ų61.788%0.88330%0.302SS*.THydrogen-bonded Turntrans58.138.1178.8-53.6179.9-178.6-179.7-0.4114.3S45 S46 E47S45-R49 PolarHBondContact O-N 2.63Å; S46-R49 WeakPolarHBondContact O-CA 3.36Å; S46-R49 PolarHBondContact O-N 2.95Å; E47-R49 PolarHBondContact O-N 2.72Å
50V97.3Very high96Very high21 Ų2158.8 Ų58.813%0.12728%0.281CS..  trans-110.9151.9175.7-58.30000111.5W24 S45 K48 N207W24-V50 HydrophobicContact CE3-CG2 3.72Å; W24-V50 HydrophobicContact CZ3-CG2 4.16Å; S45-V50 PolarHBondContact O-N 3.43Å; K48-V50 VanDerWaalsContact C-N 3.34Å; K48-V50 PolarHBondContact O-N 3Å; V50-N207 HydrophobicContact CB-CB 3.88Å; V50-N207 HydrophobicContact CG1-CB 3.9Å
51N96.6Very high96.1Very high66 Ų6658 Ų5835%0.35328%0.277SS..  trans-74.3156.1171.860-0.9000110.8F206 N207 F208N51-F206 WeakPolarHBondContact O-CA 3.41Å; N51-N207 PolarHBondContact O-N 3.23Å; N51-N207 WeakPolarHBondContact OD1-CA 3.32Å; N51-N207 PolarHBondContact OD1-N 2.68Å; N51-F208 HydrophobicContact CB-CE1 4.34Å; N51-F208 HydrophobicContact CB-CZ 4.4Å; N51-F208 WeakPolarHBondContact ND2-CE2 3.3Å; N51-F208 WeakPolarHBondContact ND2-CZ 3.48Å; N51-F208 PolarHBondContact ND2-O 2.83Å; N51-F208 PolarHBondContact OD1-N 3.45Å
52N96.6Very high96.2Very high49 Ų4961.8 Ų61.826%0.26229%0.292SS..EExtended strand (participates in β ladder)trans-140.9152.3171.766.581.8000110.4S45 E205 F206S45-N52 PolarHBondContact OG-ND2 2.63Å; N52-E205 CarbonylContact C-O 3.6Å; N52-E205 VanDerWaalsContact CA-O 3.24Å; N52-E205 WeakPolarHBondContact CA-O 3.16Å; N52-F206 HydrophobicContact CB-CD1 3.42Å; N52-F206 VanDerWaalsContact CB-CD1 3.42Å; N52-F206 HydrophobicContact CB-CE1 3.43Å; N52-F206 VanDerWaalsContact CB-CE1 3.43Å; N52-F206 HydrophobicContact CB-CG 4.32Å; N52-F206 HydrophobicContact CB-CZ 4.32Å
53R95.2Very high96.3Very high120 Ų12057.1 Ų57.145%0.45327%0.271SS..EExtended strand (participates in β ladder)trans-145.214716867.2-177.4-179.1-169.3-0.5110.8F55 F204 E205 F208R53-F55 PolarHBondContact O-N 2.83Å; R53-F204 WeakPolarHBondContact O-CA 3.4Å; R53-E205 HydrophobicContact CG-CB 4.11Å; R53-E205 IonicContact CZ-OE2 3.11Å; R53-E205 PolarHBondContact N-O 3.1Å; R53-E205 IonicContact NE-OE2 2.7Å; R53-E205 PolarHBondContact NE-OE2 3.21Å; R53-E205 IonicContact NH2-OE2 2.69Å; R53-E205 PolarHBondContact NH2-OE2 2.88Å; R53-E205 PolarHBondContact O-N 3.48Å; R53-F208 HydrophobicContact CB-CE1 4.18Å; R53-F208 HydrophobicContact CB-CZ 4.35Å; R53-F208 HydrophobicContact CG-CD1 4.49Å; R53-F208 HydrophobicContact CG-CE1 3.7Å; R53-F208 HydrophobicContact CG-CZ 4.06Å
54S93.5Very high96.3Very high56 Ų5654.9 Ų54.939%0.39227%0.265SS..EExtended strand (participates in β ladder)trans-67.9128.2168-1740000109.1L57 F204S54-L57 WeakPolarHBondContact OG-CD1 3.47Å; S54-F204 WeakPolarHBondContact OG-CE1 3.42Å
55F89.1Confident96.2Very high76 Ų7658.3 Ų58.333%0.33328%0.284SS..EExtended strand (participates in β ladder)trans-91.5-50.1175.8-176.3-102000110.8L29 R53 F99 W203 E205L29-F55 HydrophobicContact CD1-CB 4.23Å; L29-F55 HydrophobicContact CD1-CD1 4.5Å; L29-F55 HydrophobicContact CD1-CG 4.33Å; R53-F55 PolarHBondContact O-N 2.83Å; F55-F99 HydrophobicContact CD1-CE1 4.37Å; F55-F99 AromaticContact CE1-CD1 3.61Å; F55-F99 HydrophobicContact CE1-CD1 3.61Å; F55-F99 AromaticContact CE1-CE1 3.42Å; F55-F99 HydrophobicContact CE1-CE1 3.42Å; F55-F99 VanDerWaalsContact CE1-CE1 3.42Å; F55-F99 HydrophobicContact CE1-CG 4.25Å; F55-F99 AromaticContact CE1-CZ 3.95Å; F55-F99 HydrophobicContact CE1-CZ 3.95Å; F55-F99 HydrophobicContact CE2-CD1 4.37Å; F55-F99 HydrophobicContact CE2-CE1 4.43Å; F55-F99 AromaticContact CZ-CD1 3.31Å; F55-F99 HydrophobicContact CZ-CD1 3.31Å; F55-F99 AromaticContact CZ-CE1 3.47Å; F55-F99 HydrophobicContact CZ-CE1 3.47Å; F55-F99 VanDerWaalsContact CZ-CE1 3.47Å; F55-F99 HydrophobicContact CZ-CG 4.14Å; F55-F99 HydrophobicContact CZ-CZ 4.42Å; F55-W203 WeakPolarHBondContact CA-O 3.45Å; F55-W203 HydrophobicContact CB-CB 4.13Å; F55-W203 VanDerWaalsContact CB-O 3.22Å; F55-W203 WeakPolarHBondContact CB-O 3.44Å; F55-W203 HydrophobicContact CD1-CB 4.13Å; F55-W203 PolarHBondContact N-O 2.97Å; F55-E205 HydrophobicContact CB-CG 4.3Å; F55-E205 HydrophobicContact CD2-CG 4.19Å; F55-E205 WeakPolarHBondContact CD2-OE1 3.38Å
56T92.8Very high96.2Very high19 Ų1960.3 Ų60.312%0.11729%0.294CS..EExtended strand (participates in β ladder)trans-156.8151.1171.7-167.30000111.1V58 E178 A202 W203T56-V58 HydrophobicContact CG2-CG1 4.19Å; T56-E178 PolarHBondContact OG1-OE1 3.5Å; T56-A202 WeakPolarHBondContact O-CA 3.33Å; T56-W203 HydrophobicContact CG2-CB 3.97Å; T56-W203 HydrophobicContact CG2-CD2 4.29Å; T56-W203 HydrophobicContact CG2-CE3 4.09Å; T56-W203 HydrophobicContact CG2-CG 4.26Å; T56-W203 PolarHBondContact N-O 2.73Å; T56-W203 PolarHBondContact O-N 3.29Å
57L95Very high96.2Very high47 Ų4760.5 Ų60.525%0.24630%0.295CS..EExtended strand (participates in β ladder)trans-118140.1168.6-70.389.8000108.2I35 S54 E179I35-L57 HydrophobicContact CD1-CD2 3.42Å; I35-L57 VanDerWaalsContact CD1-CD2 3.42Å; I35-L57 HydrophobicContact CG1-CD2 4.27Å; S54-L57 WeakPolarHBondContact OG-CD1 3.47Å; L57-E179 VanDerWaalsContact CB-CD 3.49Å; L57-E179 HydrophobicContact CB-CG 4.02Å; L57-E179 WeakPolarHBondContact CB-OE1 3.33Å; L57-E179 PolarHBondContact O-N 2.89Å
58V96.3Very high96.2Very high7 Ų760.4 Ų60.44%0.04230%0.295CS..EExtended strand (participates in β ladder)trans-138146.4-173.8-56.70000112T56 F176 I177 E178 A201 W203T56-V58 HydrophobicContact CG2-CG1 4.19Å; V58-F176 HydrophobicContact CB-CB 4.06Å; V58-F176 HydrophobicContact CG1-CB 4.43Å; V58-F176 HydrophobicContact CG2-CB 3.77Å; V58-F176 HydrophobicContact CG2-CD1 3.55Å; V58-F176 HydrophobicContact CG2-CE1 4.44Å; V58-F176 HydrophobicContact CG2-CG 3.92Å; V58-I177 CarbonylContact C-O 3.55Å; V58-I177 WeakPolarHBondContact CA-O 3.29Å; V58-I177 WeakPolarHBondContact CB-O 3.22Å; V58-E178 HydrophobicContact CG1-CG 4.38Å; V58-A201 HydrophobicContact CG2-CB 3.67Å; V58-A201 WeakPolarHBondContact CG2-O 3.47Å; V58-A201 PolarHBondContact N-O 3.31Å; V58-A201 PolarHBondContact O-N 3.12Å; V58-W203 HydrophobicContact CG2-CE3 4.34Å; V58-W203 HydrophobicContact CG2-CH2 4.34Å; V58-W203 HydrophobicContact CG2-CZ3 3.54Å
59H97.1Very high96.2Very high19 Ų1957.2 Ų57.29%0.08828%0.282CS..EExtended strand (participates in β ladder)trans-74.5138.5163.5-58.7-87.9000109.7F176 I177 Y185 E195 R200H59-F176 WeakPolarHBondContact O-CA 3.4Å; H59-I177 PolarHBondContact N-O 2.82Å; H59-I177 PolarHBondContact O-N 2.98Å; H59-Y185 HydrophobicContact CB-CD2 4.36Å; H59-Y185 HydrophobicContact CB-CE2 4.34Å; H59-Y185 AromaticContact CG-CE2 3.99Å; H59-Y185 AromaticContact ND1-CE2 3.94Å; H59-E195 HydrophobicContact CB-CG 4.48Å; H59-E195 IonicContact CE1-OE1 3.59Å; H59-E195 IonicContact CG-OE1 3.76Å; H59-E195 VanDerWaalsContact ND1-CD 3.28Å; H59-E195 IonicContact ND1-OE1 2.72Å; H59-E195 PolarHBondContact ND1-OE1 3.23Å; H59-E195 IonicContact ND1-OE2 3.46Å; H59-R200 PolarHBondContact CE1-NH1 3.3Å; H59-R200 PolarHBondContact CE1-NH2 2.83Å; H59-R200 PolarHBondContact ND1-NH1 3.4Å
60L97.5Very high96.2Very high27 Ų2749.8 Ų49.814%0.14126%0.264CS..EExtended strand (participates in β ladder)trans-89.2114.5164.1173.258.2000108.6Y174 F176 E195 D196 Y199L60-Y174 HydrophobicContact CD1-CD2 3.6Å; L60-Y174 HydrophobicContact CD1-CE2 4.39Å; L60-Y174 HydrophobicContact CD1-CG 4.39Å; L60-F176 HydrophobicContact CB-CD1 4.33Å; L60-F176 HydrophobicContact CB-CE1 4.05Å; L60-F176 HydrophobicContact CD1-CD1 4.2Å; L60-F176 HydrophobicContact CD1-CE1 3.73Å; L60-F176 HydrophobicContact CD1-CZ 4.17Å; L60-F176 HydrophobicContact CG-CE1 4.37Å; L60-E195 WeakPolarHBondContact O-CA 3.36Å; L60-D196 HydrophobicContact CB-CB 4.43Å; L60-D196 HydrophobicContact CD2-CB 4.14Å; L60-D196 HydrophobicContact CG-CB 4.28Å; L60-D196 PolarHBondContact O-N 2.96Å; L60-Y199 HydrophobicContact CB-CD1 3.99Å; L60-Y199 HydrophobicContact CD2-CD1 3.67Å; L60-Y199 HydrophobicContact CD2-CE1 4.25Å; L60-Y199 HydrophobicContact CG-CD1 4.48Å
61M98.3Very high96Very high1 Ų150.8 Ų50.81%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-110.1135.1173.9-62.2-74.1-69.300109Y174 C175 I177 Y185 F188 Q189 F193 V194 E195M61-Y174 CarbonylContact O-C 3.45Å; M61-Y174 WeakPolarHBondContact O-CA 3.36Å; M61-Y174 WeakPolarHBondContact O-CB 3.27Å; M61-C175 PolarHBondContact N-O 2.96Å; M61-C175 PolarHBondContact O-N 2.92Å; M61-I177 HydrophobicContact CB-CD1 4.49Å; M61-I177 HydrophobicContact CG-CD1 3.81Å; M61-I177 HydrophobicContact CG-CG1 4.31Å; M61-Y185 HydrophobicContact CE-CE2 4.45Å; M61-Y185 HydrophobicContact SD-CD2 4Å; M61-Y185 HydrophobicContact SD-CE2 3.64Å; M61-F188 HydrophobicContact CE-CB 4.23Å; M61-Q189 HydrophobicContact CE-CB 4.22Å; M61-F193 HydrophobicContact CB-CB 4.38Å; M61-F193 HydrophobicContact CB-CD1 4.49Å; M61-F193 HydrophobicContact CE-CB 4Å; M61-V194 CarbonylContact C-O 3.6Å; M61-V194 VanDerWaalsContact CA-O 3.3Å; M61-V194 WeakPolarHBondContact CA-O 3.29Å; M61-E195 VanDerWaalsContact SD-CA 3.57Å; M61-E195 HydrophobicContact SD-CB 3.62Å; M61-E195 HydrophobicContact SD-CG 4.28Å
62Y98.6Very high95.8Very high79 Ų7949.4 Ų49.431%0.3127%0.27SS..EExtended strand (participates in β ladder)trans-137.7155.217769.9-81.2000111.4P64 V173 F193 V194 D196Y62-P64 HydrophobicContact CD2-CG 4.32Å; Y62-P64 HydrophobicContact CE2-CB 4.22Å; Y62-P64 HydrophobicContact CE2-CG 3.9Å; Y62-P64 WeakPolarHBondContact O-CD 3.48Å; Y62-V173 WeakPolarHBondContact CA-O 3.3Å; Y62-F193 CarbonylContact O-C 3.54Å; Y62-F193 VanDerWaalsContact O-CA 3.29Å; Y62-F193 WeakPolarHBondContact O-CA 3.34Å; Y62-V194 HydrophobicContact CD1-CG2 4.13Å; Y62-V194 HydrophobicContact CD2-CG2 4.37Å; Y62-V194 HydrophobicContact CE1-CG2 3.64Å; Y62-V194 HydrophobicContact CE2-CG2 3.91Å; Y62-V194 HydrophobicContact CG-CG2 4.47Å; Y62-V194 PolarHBondContact N-O 3Å; Y62-V194 PolarHBondContact O-N 2.9Å; Y62-D196 HydrophobicContact CD1-CB 4.29Å; Y62-D196 HydrophobicContact CE1-CB 3.96Å
63L98.3Very high95.4Very high4 Ų455.2 Ų55.22%0.02130%0.301CS..  trans-95.4110174.7-177.867000108.2D65 I66 H68 L69 Q172 V173 G192 F193L63-D65 VanDerWaalsContact C-N 3.28Å; L63-D65 WeakPolarHBondContact CG-O 3.28Å; L63-D65 PolarHBondContact O-N 3.35Å; L63-I66 HydrophobicContact CD2-CD1 4.01Å; L63-H68 HydrophobicContact CD1-CB 3.97Å; L63-L69 HydrophobicContact CD1-CB 4.46Å; L63-L69 HydrophobicContact CD2-CB 4.02Å; L63-L69 HydrophobicContact CD2-CD1 4.31Å; L63-Q172 PolarHBondContact O-NE2 3.04Å; L63-V173 HydrophobicContact CB-CB 4.11Å; L63-V173 HydrophobicContact CB-CG1 4.46Å; L63-V173 HydrophobicContact CD2-CB 4.46Å; L63-V173 PolarHBondContact N-O 3.13Å; L63-G192 WeakPolarHBondContact CD1-O 3.49Å; L63-F193 HydrophobicContact CB-CD1 4.09Å; L63-F193 HydrophobicContact CB-CD2 4.46Å; L63-F193 HydrophobicContact CB-CE1 3.97Å; L63-F193 HydrophobicContact CB-CE2 4.34Å; L63-F193 HydrophobicContact CB-CG 4.33Å; L63-F193 HydrophobicContact CB-CZ 4.1Å; L63-F193 HydrophobicContact CD1-CD2 4.35Å
64P97.2Very high95.2Very high52 Ų5251.9 Ų51.934%0.33829%0.294SS..SBendtrans-60.5-38.4-173.6-25.635.1000113.4Y62 V194Y62-P64 HydrophobicContact CD2-CG 4.32Å; Y62-P64 HydrophobicContact CE2-CB 4.22Å; Y62-P64 HydrophobicContact CE2-CG 3.9Å; Y62-P64 WeakPolarHBondContact O-CD 3.48Å; P64-V194 HydrophobicContact CG-CG1 4.19Å; P64-V194 HydrophobicContact CG-CG2 3.61Å
65D95.9Very high95.1Very high73 Ų7353.8 Ų53.839%0.3930%0.3SS..  trans-150.8150.6176.3-176.6-96.9000109.5L63 S67 H68L63-D65 VanDerWaalsContact C-N 3.28Å; L63-D65 WeakPolarHBondContact CG-O 3.28Å; L63-D65 PolarHBondContact O-N 3.35Å; D65-S67 PolarHBondContact O-N 2.91Å; D65-S67 WeakPolarHBondContact OD1-CB 3.36Å; D65-S67 PolarHBondContact OD1-N 3.35Å; D65-S67 PolarHBondContact OD1-OG 3.09Å; D65-H68 WeakPolarHBondContact O-CB 3.13Å; D65-H68 PolarHBondContact O-N 3.03Å
66I96.8Very high95.3Very high43 Ų4354.5 Ų54.522%0.22131%0.314CS..G310 helixtrans-61.6-26.7-178.8-16359.9000112.8L63 H68 L69 K164 H167L63-I66 HydrophobicContact CD2-CD1 4.01Å; I66-H68 PolarHBondContact O-N 3.34Å; I66-L69 HydrophobicContact CD1-CB 4.39Å; I66-L69 HydrophobicContact CD1-CD2 3.89Å; I66-L69 WeakPolarHBondContact O-CB 3.29Å; I66-L69 PolarHBondContact O-N 2.95Å; I66-L69 VanDerWaalsContact O-N 3.09Å; I66-K164 HydrophobicContact CD1-CG 4.33Å; I66-H167 HydrophobicContact CB-CB 4.47Å; I66-H167 HydrophobicContact CD1-CB 3.96Å; I66-H167 HydrophobicContact CG1-CB 4.25Å; I66-H167 WeakPolarHBondContact CG2-NE2 3.45Å
67S96.8Very high95.2Very high91 Ų9160.7 Ų60.764%0.63634%0.341SS*.G310 helixtrans-66.8-20.5177.164.70000113.6D65 L69D65-S67 PolarHBondContact O-N 2.91Å; D65-S67 WeakPolarHBondContact OD1-CB 3.36Å; D65-S67 PolarHBondContact OD1-N 3.35Å; D65-S67 PolarHBondContact OD1-OG 3.09Å; S67-L69 VanDerWaalsContact C-N 3.26Å
68H97.3Very high95.1Very high98 Ų9859.5 Ų59.545%0.45434%0.335SS..G310 helixtrans-78.8-11.6174.1-65.4177000112.7L63 D65 I66 C70 G192L63-H68 HydrophobicContact CD1-CB 3.97Å; D65-H68 WeakPolarHBondContact O-CB 3.13Å; D65-H68 PolarHBondContact O-N 3.03Å; I66-H68 PolarHBondContact O-N 3.34Å; H68-C70 PolarHBondContact O-N 3.13Å; H68-C70 VanDerWaalsContact O-N 3.08Å; H68-G192 WeakPolarHBondContact O-CA 3.32Å
69L98Very high95Very high20 Ų2065.1 Ų65.111%0.10536%0.361CS..  trans-66.1110.6-178.1-177.365000110.7L63 I66 S67 A71 A163 K164 M191 F193L63-L69 HydrophobicContact CD1-CB 4.46Å; L63-L69 HydrophobicContact CD2-CB 4.02Å; L63-L69 HydrophobicContact CD2-CD1 4.31Å; I66-L69 HydrophobicContact CD1-CB 4.39Å; I66-L69 HydrophobicContact CD1-CD2 3.89Å; I66-L69 WeakPolarHBondContact O-CB 3.29Å; I66-L69 PolarHBondContact O-N 2.95Å; I66-L69 VanDerWaalsContact O-N 3.09Å; S67-L69 VanDerWaalsContact C-N 3.26Å; L69-A71 VanDerWaalsContact C-N 3.26Å; L69-A71 PolarHBondContact O-N 2.6Å; L69-A163 HydrophobicContact CD1-CB 4.31Å; L69-A163 HydrophobicContact CD2-CB 4.02Å; L69-K164 HydrophobicContact CD2-CG 4.03Å; L69-M191 WeakPolarHBondContact CA-O 3.45Å; L69-M191 HydrophobicContact CD1-CE 4.06Å; L69-F193 HydrophobicContact CD1-CE2 4.34Å
70C96.5Very high94.9Very high77 Ų7768.7 Ų68.752%0.5239%0.388SS..  trans-78.277.7171.4-58.60000109.9H68 M191H68-C70 PolarHBondContact O-N 3.13Å; H68-C70 VanDerWaalsContact O-N 3.08Å; C70-M191 PolarHBondContact N-O 3.14Å; C70-M191 VanDerWaalsContact N-O 3.12Å
71A92.5Very high94.9Very high42 Ų4270.5 Ų70.535%0.34739%0.393SS..PPolyproline II helixtrans-68.4135.3177.900000110.8L69L69-A71 VanDerWaalsContact C-N 3.26Å; L69-A71 PolarHBondContact O-N 2.6Å
72P92.2Very high94.9Very high38 Ų3872.7 Ų72.725%0.24741%0.405CS..PPolyproline II helixtrans-71.5153.2174.132.8-35.1000110.5V74 K156 V157 S160P72-V74 HydrophobicContact CG-CG2 4.26Å; P72-V74 PolarHBondContact O-N 3.37Å; P72-K156 HydrophobicContact CB-CB 4.36Å; P72-K156 HydrophobicContact CG-CB 3.87Å; P72-V157 HydrophobicContact CG-CG2 3.83Å; P72-S160 WeakPolarHBondContact CD-OG 3.43Å
73D89.3Confident94.9Very high170 Ų17071.5 Ų71.591%0.90941%0.408SS*.PPolyproline II helixtrans-66.4129.5162.3-66.3-38.6000108.9
74V90.3Very high94.9Very high51 Ų5174.6 Ų74.631%0.30943%0.43SS..  trans-118.5122.1-179.1-172.60000107.6P72 L78 E79 V157P72-V74 HydrophobicContact CG-CG2 4.26Å; P72-V74 PolarHBondContact O-N 3.37Å; V74-L78 HydrophobicContact CG1-CB 3.91Å; V74-L78 HydrophobicContact CG1-CD2 4.16Å; V74-L78 HydrophobicContact CG1-CG 3.97Å; V74-E79 HydrophobicContact CG1-CB 4.05Å; V74-V157 HydrophobicContact CG1-CG1 4.49Å; V74-V157 HydrophobicContact CG2-CG1 4.17Å; V74-V157 HydrophobicContact CG2-CG2 3.73Å
75D91.6Very high94.9Very high96 Ų9672.5 Ų72.551%0.51342%0.416SS..  trans-73.5161.3172.569.853.5000111.3Q77 L78 E79D75-Q77 PolarHBondContact O-N 3.21Å; D75-Q77 WeakPolarHBondContact OD1-CA 3.34Å; D75-Q77 VanDerWaalsContact OD1-CB 3.29Å; D75-Q77 WeakPolarHBondContact OD1-CB 3.42Å; D75-Q77 PolarHBondContact OD1-N 2.79Å; D75-L78 PolarHBondContact O-N 2.94Å; D75-L78 PolarHBondContact OD1-N 3Å; D75-E79 WeakPolarHBondContact O-CB 3.17Å; D75-E79 PolarHBondContact O-N 3.34Å
76S92.1Very high95Very high91 Ų9171.6 Ų71.664%0.63642%0.415SS*.Hα-helixtrans-63-26.4-177.556.50000113.6S80S76-S80 WeakPolarHBondContact O-CB 3.48Å; S76-S80 PolarHBondContact O-N 3.04Å; S76-S80 VanDerWaalsContact O-N 3.08Å; S76-S80 PolarHBondContact O-OG 3.39Å
77Q91.1Very high95Very high148 Ų14873.8 Ų73.869%0.69243%0.427SS*.Hα-helixtrans-70.5-46.2177.2-61.1-173.35.900110.4D75 S80 R81D75-Q77 PolarHBondContact O-N 3.21Å; D75-Q77 WeakPolarHBondContact OD1-CA 3.34Å; D75-Q77 VanDerWaalsContact OD1-CB 3.29Å; D75-Q77 WeakPolarHBondContact OD1-CB 3.42Å; D75-Q77 PolarHBondContact OD1-N 2.79Å; Q77-S80 PolarHBondContact O-N 3.12Å; Q77-S80 PolarHBondContact O-OG 3.17Å; Q77-R81 WeakPolarHBondContact O-CG 3.37Å
78L93.3Very high95.1Very high22 Ų2274 Ų7412%0.11543%0.428CS..Hα-helixtrans-67.9-40.9177-176.154.2000111.7V74 D75 S80 R81 I121 Y154 V157V74-L78 HydrophobicContact CG1-CB 3.91Å; V74-L78 HydrophobicContact CG1-CD2 4.16Å; V74-L78 HydrophobicContact CG1-CG 3.97Å; D75-L78 PolarHBondContact O-N 2.94Å; D75-L78 PolarHBondContact OD1-N 3Å; L78-S80 VanDerWaalsContact C-N 3.3Å; L78-S80 PolarHBondContact O-N 3.35Å; L78-R81 WeakPolarHBondContact O-CB 3.44Å; L78-R81 PolarHBondContact O-N 2.77Å; L78-I121 HydrophobicContact CD1-CD1 4.17Å; L78-I121 HydrophobicContact CD1-CG1 4.43Å; L78-I121 HydrophobicContact CD1-CG2 3.94Å; L78-Y154 HydrophobicContact CD1-CD1 3.82Å; L78-Y154 HydrophobicContact CD1-CE1 3.47Å; L78-Y154 VanDerWaalsContact CD1-CE1 3.47Å; L78-Y154 HydrophobicContact CD2-CD1 4.13Å; L78-Y154 HydrophobicContact CD2-CE1 4.16Å; L78-Y154 HydrophobicContact CG-CE1 4.49Å; L78-V157 HydrophobicContact CD2-CG2 3.88Å
79E94.3Very high95.1Very high125 Ų12571 Ų7158%0.58441%0.414SS*.Hα-helixtrans-58.1-43176.7-171.1172.9-158.300111.6V74 D75 R81 I82V74-E79 HydrophobicContact CG1-CB 4.05Å; D75-E79 WeakPolarHBondContact O-CB 3.17Å; D75-E79 PolarHBondContact O-N 3.34Å; E79-R81 PolarHBondContact O-N 2.96Å; E79-R81 VanDerWaalsContact O-N 3.1Å; E79-I82 WeakPolarHBondContact O-CB 3.39Å; E79-I82 PolarHBondContact O-N 3Å; E79-I82 VanDerWaalsContact O-N 3.14Å
80S95.8Very high95.1Very high95 Ų9570 Ų7066%0.66441%0.409SS*.THydrogen-bonded Turntrans-63.7-16.5177.776.20000114.7S76 Q77 L78S76-S80 WeakPolarHBondContact O-CB 3.48Å; S76-S80 PolarHBondContact O-N 3.04Å; S76-S80 VanDerWaalsContact O-N 3.08Å; S76-S80 PolarHBondContact O-OG 3.39Å; Q77-S80 PolarHBondContact O-N 3.12Å; Q77-S80 PolarHBondContact O-OG 3.17Å; L78-S80 VanDerWaalsContact C-N 3.3Å; L78-S80 PolarHBondContact O-N 3.35Å
81R97.6Very high95.1Very high64 Ų6470.3 Ų70.324%0.24241%0.406CS..THydrogen-bonded Turntrans-96.4-5.4-179.1-67.5169.260.1-169.5-5.8112.9Q77 L78 E79 I121 L122 Y154Q77-R81 WeakPolarHBondContact O-CG 3.37Å; L78-R81 WeakPolarHBondContact O-CB 3.44Å; L78-R81 PolarHBondContact O-N 2.77Å; E79-R81 PolarHBondContact O-N 2.96Å; E79-R81 VanDerWaalsContact O-N 3.1Å; R81-I121 HydrophobicContact CB-CG2 4.34Å; R81-I121 WeakPolarHBondContact O-CA 3.22Å; R81-L122 PolarHBondContact NE-O 3.08Å; R81-L122 PolarHBondContact NH2-O 2.99Å; R81-L122 PolarHBondContact O-N 3.44Å; R81-Y154 PolarHBondContact NH1-OH 3.34Å; R81-Y154 PolarHBondContact NH2-OH 2.91Å
82I98.1Very high95.3Very high48 Ų4870.6 Ų70.625%0.24640%0.4CS..EExtended strand (participates in β ladder)trans-72.2128.5175.5-60174.3000108.7E79 C120 I121 V157 T161E79-I82 WeakPolarHBondContact O-CB 3.39Å; E79-I82 PolarHBondContact O-N 3Å; E79-I82 VanDerWaalsContact O-N 3.14Å; I82-C120 CarbonylContact C-O 3.5Å; I82-C120 WeakPolarHBondContact CA-O 3.41Å; I82-I121 HydrophobicContact CG1-CG1 4.44Å; I82-V157 HydrophobicContact CD1-CG1 3.59Å; I82-V157 HydrophobicContact CG1-CG1 4.23Å; I82-T161 HydrophobicContact CG2-CG2 4.35Å
83S98Very high95.5Very high53 Ų5368.9 Ų68.937%0.37139%0.389SS..EExtended strand (participates in β ladder)trans-148.5-172.6-178.6-166.60000111.4C119 C120S83-C119 CarbonylContact O-C 3.53Å; S83-C119 WeakPolarHBondContact O-CA 3.37Å; S83-C120 PolarHBondContact N-O 3.06Å; S83-C120 PolarHBondContact O-N 2.99Å
84S98Very high95.9Very high69 Ų6961.2 Ų61.248%0.48335%0.348SS..  trans-107.9153.8172.9-570000110.8
85L98.3Very high96.2Very high9 Ų966.3 Ų66.35%0.04737%0.366CS..  trans-74137.5168.2-64.3170.8000109.8H89 V93 I113 T118 C120 P128 W131 L133L85-H89 HydrophobicContact CD2-CB 3.99Å; L85-V93 HydrophobicContact CD1-CG2 4Å; L85-V93 HydrophobicContact CD2-CG2 4.48Å; L85-I113 HydrophobicContact CB-CD1 4.31Å; L85-I113 HydrophobicContact CB-CG1 4.3Å; L85-I113 HydrophobicContact CB-CG2 4.41Å; L85-I113 HydrophobicContact CD1-CD1 4.41Å; L85-I113 WeakPolarHBondContact O-CG2 3.32Å; L85-T118 HydrophobicContact CB-CG2 4.39Å; L85-T118 HydrophobicContact CD1-CG2 4.39Å; L85-T118 PolarHBondContact N-OG1 2.6Å; L85-C120 HydrophobicContact CD2-CB 3.86Å; L85-C120 HydrophobicContact CG-CB 4.17Å; L85-P128 HydrophobicContact CD2-CB 4.03Å; L85-P128 HydrophobicContact CD2-CG 3.92Å; L85-W131 HydrophobicContact CD1-CB 4.03Å; L85-W131 HydrophobicContact CD1-CG 4.3Å; L85-W131 HydrophobicContact CD2-CB 4.3Å; L85-W131 HydrophobicContact CG-CB 4.41Å; L85-L133 HydrophobicContact CD1-CD1 3.96Å; L85-L133 HydrophobicContact CD1-CD2 3.99Å; L85-L133 HydrophobicContact CD1-CG 3.96Å
86S97.4Very high96.3Very high53 Ų5363.6 Ų63.637%0.37135%0.353SS..  trans-104.7171.8165.368.40000112.6S88 H89S86-S88 PolarHBondContact O-N 2.56Å; S86-S88 VanDerWaalsContact O-N 3.13Å; S86-S88 PolarHBondContact OG-OG 3.18Å; S86-H89 PolarHBondContact N-ND1 3.01Å; S86-H89 WeakPolarHBondContact O-CB 3.36Å; S86-H89 PolarHBondContact O-N 2.81Å; S86-H89 PolarHBondContact O-ND1 3.31Å; S86-H89 PolarHBondContact OG-CE1 3.08Å; S86-H89 PolarHBondContact OG-ND1 2.76Å; S86-H89 VanDerWaalsContact OG-ND1 3.09Å
87L97.6Very high96.4Very high89 Ų8961.7 Ų61.747%0.46633%0.332SS..G310 helixtrans-58.5-25.1-179.8-57.5-179.1000114H89 I90 K110 I113 S114L87-H89 PolarHBondContact O-N 3.3Å; L87-I90 HydrophobicContact CB-CD1 4.03Å; L87-I90 HydrophobicContact CD2-CD1 3.85Å; L87-I90 WeakPolarHBondContact O-CD1 3.12Å; L87-I90 VanDerWaalsContact O-CG1 3.3Å; L87-I90 WeakPolarHBondContact O-CG1 3.43Å; L87-I90 PolarHBondContact O-N 3.07Å; L87-K110 HydrophobicContact CD2-CG 4.49Å; L87-I113 HydrophobicContact CD2-CG2 4.08Å; L87-S114 WeakPolarHBondContact CD2-OG 3.28Å
88S97.3Very high96.4Very high95 Ų9561 Ų6166%0.66433%0.327SS*.G310 helixtrans-66.1-16.3175.956.20000113.3S86S86-S88 PolarHBondContact O-N 2.56Å; S86-S88 VanDerWaalsContact O-N 3.13Å; S86-S88 PolarHBondContact OG-OG 3.18Å
89H97.4Very high96.1Very high35 Ų3563.2 Ų63.216%0.16234%0.335CS..G310 helixtrans-95-2.8-179.3-51.1111.4000113.8L85 S86 L87 D91 M92 V93 P128L85-H89 HydrophobicContact CD2-CB 3.99Å; S86-H89 PolarHBondContact N-ND1 3.01Å; S86-H89 WeakPolarHBondContact O-CB 3.36Å; S86-H89 PolarHBondContact O-N 2.81Å; S86-H89 PolarHBondContact O-ND1 3.31Å; S86-H89 PolarHBondContact OG-CE1 3.08Å; S86-H89 PolarHBondContact OG-ND1 2.76Å; S86-H89 VanDerWaalsContact OG-ND1 3.09Å; L87-H89 PolarHBondContact O-N 3.3Å; H89-D91 VanDerWaalsContact C-N 3.3Å; H89-D91 PolarHBondContact O-N 3.49Å; H89-M92 HydrophobicContact CB-CE 4.27Å; H89-M92 PolarHBondContact O-N 3.12Å; H89-M92 VanDerWaalsContact O-N 3.15Å; H89-V93 PolarHBondContact O-N 2.82Å; H89-V93 VanDerWaalsContact O-N 3.12Å; H89-P128 VanDerWaalsContact CD2-CD 3.48Å; H89-P128 WeakPolarHBondContact CD2-CD 3.16Å; H89-P128 VanDerWaalsContact CD2-CG 3.44Å; H89-P128 WeakPolarHBondContact CD2-CG 3.44Å; H89-P128 WeakPolarHBondContact NE2-CD 3.5Å
90I97.8Very high96Very high1 Ų158.3 Ų58.31%0.00532%0.319CS..Hα-helixtrans-54.7-46.9-175.9-70.1164.1000111L87 M92 V93 N94 Y106 F109 K110 I113L87-I90 HydrophobicContact CB-CD1 4.03Å; L87-I90 HydrophobicContact CD2-CD1 3.85Å; L87-I90 WeakPolarHBondContact O-CD1 3.12Å; L87-I90 VanDerWaalsContact O-CG1 3.3Å; L87-I90 WeakPolarHBondContact O-CG1 3.43Å; L87-I90 PolarHBondContact O-N 3.07Å; I90-M92 VanDerWaalsContact C-N 3.27Å; I90-M92 PolarHBondContact O-N 2.92Å; I90-V93 PolarHBondContact O-N 3.13Å; I90-N94 WeakPolarHBondContact O-CB 3.39Å; I90-N94 PolarHBondContact O-N 2.99Å; I90-Y106 HydrophobicContact CB-CD2 4.34Å; I90-Y106 HydrophobicContact CB-CE2 4.03Å; I90-Y106 HydrophobicContact CG2-CD1 4.47Å; I90-Y106 HydrophobicContact CG2-CD2 3.33Å; I90-Y106 HydrophobicContact CG2-CE2 3.48Å; I90-Y106 VanDerWaalsContact CG2-CE2 3.48Å; I90-Y106 HydrophobicContact CG2-CG 3.86Å; I90-F109 HydrophobicContact CG2-CB 3.94Å; I90-K110 HydrophobicContact CD1-CB 3.8Å; I90-K110 HydrophobicContact CD1-CG 4.06Å; I90-I113 HydrophobicContact CG1-CD1 3.78Å
91D97.1Very high95.9Very high83 Ų8356.4 Ų56.444%0.44431%0.314SS..Hα-helixtrans-61.8-37.6-176.8-71.6-30.9000112.4H89 K95 Y106H89-D91 VanDerWaalsContact C-N 3.3Å; H89-D91 PolarHBondContact O-N 3.49Å; D91-K95 WeakPolarHBondContact O-CB 3.46Å; D91-K95 WeakPolarHBondContact O-CD 3.41Å; D91-K95 WeakPolarHBondContact O-CG 3.49Å; D91-K95 PolarHBondContact O-N 3.44Å; D91-Y106 WeakPolarHBondContact OD1-CD2 3.24Å; D91-Y106 WeakPolarHBondContact OD1-CE2 3.03Å
92M96.4Very high95.7Very high48 Ų4856.7 Ų56.724%0.23632%0.32CS..Hα-helixtrans-67.5-48.8178.5178.2177.368.900111.2H89 I90 N94 K95 T96 P128 W131H89-M92 HydrophobicContact CB-CE 4.27Å; H89-M92 PolarHBondContact O-N 3.12Å; H89-M92 VanDerWaalsContact O-N 3.15Å; I90-M92 VanDerWaalsContact C-N 3.27Å; I90-M92 PolarHBondContact O-N 2.92Å; M92-N94 VanDerWaalsContact C-N 3.33Å; M92-N94 PolarHBondContact O-N 3.21Å; M92-K95 PolarHBondContact O-N 2.81Å; M92-T96 WeakPolarHBondContact O-CG2 3.45Å; M92-T96 PolarHBondContact O-N 2.95Å; M92-T96 VanDerWaalsContact O-N 3.17Å; M92-T96 PolarHBondContact O-OG1 2.97Å; M92-P128 HydrophobicContact CE-CB 3.69Å; M92-P128 HydrophobicContact CE-CG 3.8Å; M92-W131 HydrophobicContact CE-CE3 4.16Å; M92-W131 HydrophobicContact CE-CH2 4.37Å; M92-W131 HydrophobicContact CE-CZ3 3.81Å; M92-W131 HydrophobicContact CG-CH2 4.25Å; M92-W131 HydrophobicContact SD-CH2 4.45Å; M92-W131 HydrophobicContact SD-CZ3 4.19Å
93V96.5Very high95.6Very high1 Ų159.8 Ų59.81%0.00633%0.334CS..Hα-helixtrans-65.8-40.5179.6-176.10000110.4L85 H89 I90 K95 T96 W97 F109 W131 L133L85-V93 HydrophobicContact CD1-CG2 4Å; L85-V93 HydrophobicContact CD2-CG2 4.48Å; H89-V93 PolarHBondContact O-N 2.82Å; H89-V93 VanDerWaalsContact O-N 3.12Å; I90-V93 PolarHBondContact O-N 3.13Å; V93-K95 PolarHBondContact O-N 3.11Å; V93-T96 WeakPolarHBondContact CA-OG1 3.46Å; V93-T96 PolarHBondContact O-N 3.03Å; V93-T96 PolarHBondContact O-OG1 3.38Å; V93-T96 VanDerWaalsContact O-OG1 3.04Å; V93-W97 WeakPolarHBondContact O-CB 3.44Å; V93-W97 PolarHBondContact O-N 3.14Å; V93-W97 VanDerWaalsContact O-N 3.13Å; V93-F109 HydrophobicContact CB-CD1 4.33Å; V93-F109 HydrophobicContact CB-CE1 4.39Å; V93-F109 HydrophobicContact CG1-CD1 3.57Å; V93-F109 HydrophobicContact CG1-CD2 4.42Å; V93-F109 HydrophobicContact CG1-CE1 3.26Å; V93-F109 HydrophobicContact CG1-CE2 4.18Å; V93-F109 HydrophobicContact CG1-CG 4.17Å; V93-F109 HydrophobicContact CG1-CZ 3.62Å; V93-W131 HydrophobicContact CG2-CD2 4.39Å; V93-L133 HydrophobicContact CG1-CD1 4.19Å
94N97.3Very high95.2Very high9 Ų962.7 Ų62.75%0.04834%0.34CS..Hα-helixtrans-61.7-44.7177.2-17227.6000112.1I90 M92 T96 G100 G101 D102 G105 Y106 F109I90-N94 WeakPolarHBondContact O-CB 3.39Å; I90-N94 PolarHBondContact O-N 2.99Å; M92-N94 VanDerWaalsContact C-N 3.33Å; M92-N94 PolarHBondContact O-N 3.21Å; N94-T96 VanDerWaalsContact C-N 3.32Å; N94-T96 PolarHBondContact O-N 2.83Å; N94-G100 CarbonylContact O-C 3.56Å; N94-G100 WeakPolarHBondContact O-CA 3.37Å; N94-G100 WeakPolarHBondContact OD1-CA 3.13Å; N94-G101 PolarHBondContact O-N 2.93Å; N94-G101 PolarHBondContact OD1-N 2.95Å; N94-D102 PolarHBondContact ND2-O 3.32Å; N94-G105 VanDerWaalsContact OD1-CA 3.28Å; N94-G105 WeakPolarHBondContact OD1-CA 3.34Å; N94-Y106 PolarHBondContact ND2-N 3.06Å; N94-F109 HydrophobicContact CB-CD2 3.87Å; N94-F109 HydrophobicContact CB-CE2 4.31Å
95K96.4Very high95Very high158 Ų15859.6 Ų59.669%0.68732%0.319SS*.Hα-helixtrans-69.9-26.4-179.5-74.6170.7-175175.60114D91 M92 V93D91-K95 WeakPolarHBondContact O-CB 3.46Å; D91-K95 WeakPolarHBondContact O-CD 3.41Å; D91-K95 WeakPolarHBondContact O-CG 3.49Å; D91-K95 PolarHBondContact O-N 3.44Å; M92-K95 PolarHBondContact O-N 2.81Å; V93-K95 PolarHBondContact O-N 3.11Å
96T94.9Very high94.9Very high40 Ų4062.5 Ų62.525%0.24533%0.329CS..Hα-helixtrans-91.6-19.4-176.246.80000113.1M92 V93 N94 W131 Y144M92-T96 WeakPolarHBondContact O-CG2 3.45Å; M92-T96 PolarHBondContact O-N 2.95Å; M92-T96 VanDerWaalsContact O-N 3.17Å; M92-T96 PolarHBondContact O-OG1 2.97Å; V93-T96 WeakPolarHBondContact CA-OG1 3.46Å; V93-T96 PolarHBondContact O-N 3.03Å; V93-T96 PolarHBondContact O-OG1 3.38Å; V93-T96 VanDerWaalsContact O-OG1 3.04Å; N94-T96 VanDerWaalsContact C-N 3.32Å; N94-T96 PolarHBondContact O-N 2.83Å; T96-W131 HydrophobicContact CG2-CH2 4.24Å; T96-W131 HydrophobicContact CG2-CZ2 4.29Å; T96-W131 VanDerWaalsContact OG1-CZ2 3.26Å; T96-W131 WeakPolarHBondContact OG1-CZ2 3.48Å; T96-Y144 HydrophobicContact CG2-CE1 4.26Å
97W94Very high94.8Very high51 Ų5166.9 Ų66.919%0.19334%0.338CS..SBendtrans-76.7132177.8-169.747.8000111.5V93 F99 G100 F109V93-W97 WeakPolarHBondContact O-CB 3.44Å; V93-W97 PolarHBondContact O-N 3.14Å; V93-W97 VanDerWaalsContact O-N 3.13Å; W97-F99 HydrophobicContact CD2-CB 4.03Å; W97-F99 HydrophobicContact CD2-CD2 4.39Å; W97-F99 AromaticContact CE2-CD2 3.65Å; W97-F99 HydrophobicContact CE3-CB 3.86Å; W97-F99 HydrophobicContact CH2-CB 3.78Å; W97-F99 HydrophobicContact CH2-CD2 4.21Å; W97-F99 HydrophobicContact CH2-CG 4.47Å; W97-F99 HydrophobicContact CZ2-CB 3.94Å; W97-F99 AromaticContact CZ2-CD2 3.56Å; W97-F99 HydrophobicContact CZ2-CD2 3.56Å; W97-F99 HydrophobicContact CZ2-CG 4.22Å; W97-F99 HydrophobicContact CZ3-CB 3.74Å; W97-F99 AromaticContact NE1-CD2 3.84Å; W97-F99 PolarHBondContact O-N 3.06Å; W97-G100 PolarHBondContact O-N 3.37Å; W97-F109 HydrophobicContact CB-CE2 4.06Å; W97-F109 HydrophobicContact CB-CZ 3.9Å; W97-F109 HydrophobicContact CD2-CE2 4.1Å; W97-F109 AromaticContact CD2-CZ 3.8Å; W97-F109 HydrophobicContact CD2-CZ 3.8Å; W97-F109 AromaticContact CE3-CE2 3.64Å; W97-F109 HydrophobicContact CE3-CE2 3.64Å; W97-F109 AromaticContact CE3-CZ 3.77Å; W97-F109 HydrophobicContact CE3-CZ 3.77Å; W97-F109 HydrophobicContact CG-CE2 4.33Å; W97-F109 AromaticContact CG-CZ 3.9Å; W97-F109 HydrophobicContact CG-CZ 3.9Å; W97-F109 HydrophobicContact CZ3-CE2 4.38Å
98K90Very high94.7Very high134 Ų13463.5 Ų63.558%0.58332%0.32SS*.THydrogen-bonded Turntrans-51.6-32.2-179.6-179.3-175.5178.5-173.70113.7E178K98-E178 IonicContact NZ-OE1 2.77Å; K98-E178 PolarHBondContact NZ-OE1 3.49Å; K98-E178 IonicContact NZ-OE2 2.83Å; K98-E178 PolarHBondContact NZ-OE2 3.01Å
99F88.1Confident94.7Very high67 Ų6759 Ų5929%0.29429%0.288SS..THydrogen-bonded Turntrans-1056.9-178.5-49.3-63.5000113.4F55 W97 E178F55-F99 HydrophobicContact CD1-CE1 4.37Å; F55-F99 AromaticContact CE1-CD1 3.61Å; F55-F99 HydrophobicContact CE1-CD1 3.61Å; F55-F99 AromaticContact CE1-CE1 3.42Å; F55-F99 HydrophobicContact CE1-CE1 3.42Å; F55-F99 VanDerWaalsContact CE1-CE1 3.42Å; F55-F99 HydrophobicContact CE1-CG 4.25Å; F55-F99 AromaticContact CE1-CZ 3.95Å; F55-F99 HydrophobicContact CE1-CZ 3.95Å; F55-F99 HydrophobicContact CE2-CD1 4.37Å; F55-F99 HydrophobicContact CE2-CE1 4.43Å; F55-F99 AromaticContact CZ-CD1 3.31Å; F55-F99 HydrophobicContact CZ-CD1 3.31Å; F55-F99 AromaticContact CZ-CE1 3.47Å; F55-F99 HydrophobicContact CZ-CE1 3.47Å; F55-F99 VanDerWaalsContact CZ-CE1 3.47Å; F55-F99 HydrophobicContact CZ-CG 4.14Å; F55-F99 HydrophobicContact CZ-CZ 4.42Å; W97-F99 HydrophobicContact CD2-CB 4.03Å; W97-F99 HydrophobicContact CD2-CD2 4.39Å; W97-F99 AromaticContact CE2-CD2 3.65Å; W97-F99 HydrophobicContact CE3-CB 3.86Å; W97-F99 HydrophobicContact CH2-CB 3.78Å; W97-F99 HydrophobicContact CH2-CD2 4.21Å; W97-F99 HydrophobicContact CH2-CG 4.47Å; W97-F99 HydrophobicContact CZ2-CB 3.94Å; W97-F99 AromaticContact CZ2-CD2 3.56Å; W97-F99 HydrophobicContact CZ2-CD2 3.56Å; W97-F99 HydrophobicContact CZ2-CG 4.22Å; W97-F99 HydrophobicContact CZ3-CB 3.74Å; W97-F99 AromaticContact NE1-CD2 3.84Å; W97-F99 PolarHBondContact O-N 3.06Å; F99-E178 VanDerWaalsContact CZ-OE1 3.28Å; F99-E178 WeakPolarHBondContact CZ-OE1 3.35Å
100G92.3Very high94.7Very high23 Ų2362.2 Ų62.224%0.23730%0.302CS..  trans-97.6-153.7-179.600000112.7N94 W97N94-G100 CarbonylContact O-C 3.56Å; N94-G100 WeakPolarHBondContact O-CA 3.37Å; N94-G100 WeakPolarHBondContact OD1-CA 3.13Å; W97-G100 PolarHBondContact O-N 3.37Å
101G93.6Very high94.6Very high55 Ų5565.2 Ų65.257%0.56732%0.318SS*.SBendtrans89.3-0.9177.800000114.6N94N94-G101 PolarHBondContact O-N 2.93Å; N94-G101 PolarHBondContact OD1-N 2.95Å
102D93.7Very high94.6Very high70 Ų7061.3 Ų61.337%0.37430%0.297SS..SBendtrans-121.3175.917879.8-5.6000112.6N94 K104 G105 Y106N94-D102 PolarHBondContact ND2-O 3.32Å; D102-K104 PolarHBondContact O-N 2.94Å; D102-K104 WeakPolarHBondContact OD1-CA 3.21Å; D102-K104 WeakPolarHBondContact OD1-CB 3.46Å; D102-K104 PolarHBondContact OD1-N 3.03Å; D102-G105 PolarHBondContact O-N 3.13Å; D102-G105 PolarHBondContact OD1-N 3.39Å; D102-Y106 PolarHBondContact O-N 3.41Å
103E94.6Very high94.7Very high113 Ų11359.9 Ų59.953%0.52829%0.29SS..Hα-helixtrans-63.6-27.2178.1-177.856.8-149.100112.6Y106 R107E103-Y106 PolarHBondContact O-N 2.96Å; E103-R107 WeakPolarHBondContact O-CG 3.43Å; E103-R107 PolarHBondContact O-N 3.24Å; E103-R107 VanDerWaalsContact O-N 3.08Å
104K91.3Very high94.7Very high113 Ų11362.8 Ų62.849%0.49131%0.311SS..Hα-helixtrans-70.6-43.3176.4-61.1172.6-171.7153.80110.1D102 Y106 R107 H108D102-K104 PolarHBondContact O-N 2.94Å; D102-K104 WeakPolarHBondContact OD1-CA 3.21Å; D102-K104 WeakPolarHBondContact OD1-CB 3.46Å; D102-K104 PolarHBondContact OD1-N 3.03Å; K104-Y106 VanDerWaalsContact C-N 3.34Å; K104-R107 PolarHBondContact O-N 3.13Å; K104-H108 WeakPolarHBondContact O-CB 3.36Å; K104-H108 PolarHBondContact O-N 3.13Å
105G93.7Very high94.7Very high4 Ų467.5 Ų67.54%0.04134%0.336CS..Hα-helixtrans-60.5-42.1172.700000111.7N94 D102 R107 H108 F109N94-G105 VanDerWaalsContact OD1-CA 3.28Å; N94-G105 WeakPolarHBondContact OD1-CA 3.34Å; D102-G105 PolarHBondContact O-N 3.13Å; D102-G105 PolarHBondContact OD1-N 3.39Å; G105-R107 PolarHBondContact O-N 3.03Å; G105-H108 WeakPolarHBondContact O-CB 3.21Å; G105-H108 PolarHBondContact O-N 2.96Å; G105-F109 WeakPolarHBondContact O-CD2 3.42Å; G105-F109 PolarHBondContact O-N 2.83Å
106Y96.1Very high94.7Very high70 Ų7062.7 Ų62.728%0.27532%0.315SS..Hα-helixtrans-57.3-51.6174.8-176.3-84.2000111.6I90 D91 N94 D102 E103 K104 H108 F109 K110I90-Y106 HydrophobicContact CB-CD2 4.34Å; I90-Y106 HydrophobicContact CB-CE2 4.03Å; I90-Y106 HydrophobicContact CG2-CD1 4.47Å; I90-Y106 HydrophobicContact CG2-CD2 3.33Å; I90-Y106 HydrophobicContact CG2-CE2 3.48Å; I90-Y106 VanDerWaalsContact CG2-CE2 3.48Å; I90-Y106 HydrophobicContact CG2-CG 3.86Å; D91-Y106 WeakPolarHBondContact OD1-CD2 3.24Å; D91-Y106 WeakPolarHBondContact OD1-CE2 3.03Å; N94-Y106 PolarHBondContact ND2-N 3.06Å; D102-Y106 PolarHBondContact O-N 3.41Å; E103-Y106 PolarHBondContact O-N 2.96Å; K104-Y106 VanDerWaalsContact C-N 3.34Å; Y106-H108 VanDerWaalsContact C-N 3.3Å; Y106-H108 PolarHBondContact O-N 2.89Å; Y106-F109 PolarHBondContact O-N 2.77Å; Y106-K110 HydrophobicContact CE1-CD 4.14Å; Y106-K110 WeakPolarHBondContact O-CB 3.42Å; Y106-K110 PolarHBondContact O-N 3.24Å
107R95.6Very high94.8Very high146 Ų14662.4 Ų62.455%0.55131%0.314SS*.Hα-helixtrans-61.4-37.9177.2-71.7-171.3-67.1-122.80.1112.6E103 K104 G105 N111E103-R107 WeakPolarHBondContact O-CG 3.43Å; E103-R107 PolarHBondContact O-N 3.24Å; E103-R107 VanDerWaalsContact O-N 3.08Å; K104-R107 PolarHBondContact O-N 3.13Å; G105-R107 PolarHBondContact O-N 3.03Å; R107-N111 PolarHBondContact O-N 2.83Å
108H94.1Very high95Very high18 Ų1860.5 Ų60.58%0.08331%0.308CS..Hα-helixtrans-62.4-50.8176.8-178.459000111.6K104 G105 Y106 K110 N111 I112K104-H108 WeakPolarHBondContact O-CB 3.36Å; K104-H108 PolarHBondContact O-N 3.13Å; G105-H108 WeakPolarHBondContact O-CB 3.21Å; G105-H108 PolarHBondContact O-N 2.96Å; Y106-H108 VanDerWaalsContact C-N 3.3Å; Y106-H108 PolarHBondContact O-N 2.89Å; H108-K110 PolarHBondContact O-N 2.81Å; H108-N111 WeakPolarHBondContact O-CB 3.37Å; H108-N111 PolarHBondContact O-N 2.94Å; H108-I112 VanDerWaalsContact CE1-CD1 3.44Å; H108-I112 WeakPolarHBondContact CE1-CD1 3.29Å; H108-I112 VanDerWaalsContact NE2-CD1 3.35Å; H108-I112 WeakPolarHBondContact NE2-CD1 3.4Å; H108-I112 PolarHBondContact O-N 3.44Å
109F97Very high95.4Very high0 Ų054.3 Ų54.30%028%0.281CS..Hα-helixtrans-69.2-33.2178.5-76.8-63.9000112.9I90 V93 N94 W97 G105 Y106 N111 I112 I113 L133 M142I90-F109 HydrophobicContact CG2-CB 3.94Å; V93-F109 HydrophobicContact CB-CD1 4.33Å; V93-F109 HydrophobicContact CB-CE1 4.39Å; V93-F109 HydrophobicContact CG1-CD1 3.57Å; V93-F109 HydrophobicContact CG1-CD2 4.42Å; V93-F109 HydrophobicContact CG1-CE1 3.26Å; V93-F109 HydrophobicContact CG1-CE2 4.18Å; V93-F109 HydrophobicContact CG1-CG 4.17Å; V93-F109 HydrophobicContact CG1-CZ 3.62Å; N94-F109 HydrophobicContact CB-CD2 3.87Å; N94-F109 HydrophobicContact CB-CE2 4.31Å; W97-F109 HydrophobicContact CB-CE2 4.06Å; W97-F109 HydrophobicContact CB-CZ 3.9Å; W97-F109 HydrophobicContact CD2-CE2 4.1Å; W97-F109 AromaticContact CD2-CZ 3.8Å; W97-F109 HydrophobicContact CD2-CZ 3.8Å; W97-F109 AromaticContact CE3-CE2 3.64Å; W97-F109 HydrophobicContact CE3-CE2 3.64Å; W97-F109 AromaticContact CE3-CZ 3.77Å; W97-F109 HydrophobicContact CE3-CZ 3.77Å; W97-F109 HydrophobicContact CG-CE2 4.33Å; W97-F109 AromaticContact CG-CZ 3.9Å; W97-F109 HydrophobicContact CG-CZ 3.9Å; W97-F109 HydrophobicContact CZ3-CE2 4.38Å; G105-F109 WeakPolarHBondContact O-CD2 3.42Å; G105-F109 PolarHBondContact O-N 2.83Å; Y106-F109 PolarHBondContact O-N 2.77Å; F109-N111 VanDerWaalsContact C-N 3.3Å; F109-N111 PolarHBondContact O-N 3.24Å; F109-I112 PolarHBondContact O-N 3.31Å; F109-I113 HydrophobicContact CB-CD1 4.4Å; F109-I113 VanDerWaalsContact O-CB 3.27Å; F109-I113 WeakPolarHBondContact O-CB 3.32Å; F109-I113 WeakPolarHBondContact O-CG1 3.33Å; F109-I113 PolarHBondContact O-N 2.88Å; F109-L133 HydrophobicContact CD1-CD2 4.07Å; F109-L133 HydrophobicContact CE1-CD2 4.26Å; F109-M142 HydrophobicContact CD1-SD 4.35Å; F109-M142 HydrophobicContact CE1-CB 4.49Å; F109-M142 HydrophobicContact CE1-CG 4.06Å; F109-M142 HydrophobicContact CE1-SD 3.47Å; F109-M142 WeakPolarHBondContact CE1-SD 3.36Å; F109-M142 HydrophobicContact CZ-CG 4.29Å; F109-M142 HydrophobicContact CZ-SD 4.13Å
110K97.5Very high95.9Very high102 Ų10251.1 Ų51.144%0.44327%0.267SS..Hα-helixtrans-57.8-44.9170-172.7174.9-179.7176.10111.1L87 I90 Y106 H108 S114L87-K110 HydrophobicContact CD2-CG 4.49Å; I90-K110 HydrophobicContact CD1-CB 3.8Å; I90-K110 HydrophobicContact CD1-CG 4.06Å; Y106-K110 HydrophobicContact CE1-CD 4.14Å; Y106-K110 WeakPolarHBondContact O-CB 3.42Å; Y106-K110 PolarHBondContact O-N 3.24Å; H108-K110 PolarHBondContact O-N 2.81Å; K110-S114 VanDerWaalsContact O-CB 3.27Å; K110-S114 WeakPolarHBondContact O-CB 3.41Å; K110-S114 PolarHBondContact O-N 2.69Å; K110-S114 VanDerWaalsContact O-N 3.14Å; K110-S114 PolarHBondContact O-OG 2.7Å
111N96.4Very high96.2Very high65 Ų6550 Ų5035%0.34826%0.256SS..Hα-helixtrans-64.5-47.1177.3-175.559.7000111.9R107 H108 F109 N115R107-N111 PolarHBondContact O-N 2.83Å; H108-N111 WeakPolarHBondContact O-CB 3.37Å; H108-N111 PolarHBondContact O-N 2.94Å; F109-N111 VanDerWaalsContact C-N 3.3Å; F109-N111 PolarHBondContact O-N 3.24Å; N111-N115 WeakPolarHBondContact O-CB 3.41Å; N111-N115 PolarHBondContact O-N 3.09Å; N111-N115 PolarHBondContact O-ND2 3.47Å; N111-N115 PolarHBondContact OD1-ND2 3.45Å; N111-N115 VanDerWaalsContact OD1-ND2 3.14Å
112I97.3Very high96.4Very high1 Ų149.1 Ų49.11%0.00524%0.238CC..Hα-helixtrans-63.3-53.8-179.1-68.9178000111H108 F109 S114 N115 F116 L133 V134 Y135 M142H108-I112 VanDerWaalsContact CE1-CD1 3.44Å; H108-I112 WeakPolarHBondContact CE1-CD1 3.29Å; H108-I112 VanDerWaalsContact NE2-CD1 3.35Å; H108-I112 WeakPolarHBondContact NE2-CD1 3.4Å; H108-I112 PolarHBondContact O-N 3.44Å; F109-I112 PolarHBondContact O-N 3.31Å; I112-S114 PolarHBondContact O-N 3.27Å; I112-N115 PolarHBondContact O-N 2.94Å; I112-F116 HydrophobicContact CG2-CB 4.37Å; I112-F116 PolarHBondContact O-N 2.84Å; I112-L133 HydrophobicContact CG2-CB 4.13Å; I112-L133 HydrophobicContact CG2-CD2 3.64Å; I112-L133 HydrophobicContact CG2-CG 4.49Å; I112-V134 WeakPolarHBondContact CG2-O 3.17Å; I112-Y135 HydrophobicContact CD1-CD1 4.27Å; I112-M142 HydrophobicContact CD1-CE 3.94Å; I112-M142 HydrophobicContact CD1-SD 3.79Å
113I97.9Very high96.5Very high17 Ų1747.4 Ų47.49%0.08723%0.229CC..Hα-helixtrans-64.7-29.9-175.4-69.1168.1000111.9L85 L87 I90 F109 T118 L133L85-I113 HydrophobicContact CB-CD1 4.31Å; L85-I113 HydrophobicContact CB-CG1 4.3Å; L85-I113 HydrophobicContact CB-CG2 4.41Å; L85-I113 HydrophobicContact CD1-CD1 4.41Å; L85-I113 WeakPolarHBondContact O-CG2 3.32Å; L87-I113 HydrophobicContact CD2-CG2 4.08Å; I90-I113 HydrophobicContact CG1-CD1 3.78Å; F109-I113 HydrophobicContact CB-CD1 4.4Å; F109-I113 VanDerWaalsContact O-CB 3.27Å; F109-I113 WeakPolarHBondContact O-CB 3.32Å; F109-I113 WeakPolarHBondContact O-CG1 3.33Å; F109-I113 PolarHBondContact O-N 2.88Å; I113-T118 HydrophobicContact CG1-CG2 4.18Å; I113-L133 HydrophobicContact CG1-CD2 4Å
114S97.5Very high96.4Very high63 Ų6348 Ų4844%0.44124%0.24SC..Hα-helixtrans-76.9-28.8178.3-54.30000113.6L87 K110 I112L87-S114 WeakPolarHBondContact CD2-OG 3.28Å; K110-S114 VanDerWaalsContact O-CB 3.27Å; K110-S114 WeakPolarHBondContact O-CB 3.41Å; K110-S114 PolarHBondContact O-N 2.69Å; K110-S114 VanDerWaalsContact O-N 3.14Å; K110-S114 PolarHBondContact O-OG 2.7Å; I112-S114 PolarHBondContact O-N 3.27Å
115N96.9Very high96.6Very high108 Ų10852 Ų5258%0.57825%0.254SS*.Hα-helixtrans-124.3-17.7-163.3-61-64.1000114.7N111 I112N111-N115 WeakPolarHBondContact O-CB 3.41Å; N111-N115 PolarHBondContact O-N 3.09Å; N111-N115 PolarHBondContact O-ND2 3.47Å; N111-N115 PolarHBondContact OD1-ND2 3.45Å; N111-N115 VanDerWaalsContact OD1-ND2 3.14Å; I112-N115 PolarHBondContact O-N 2.94Å
116F96.6Very high96.6Very high56 Ų5653.8 Ų53.825%0.24627%0.272CS..SBendtrans-124.6154-173.1-62.1-88.9000111.5I112 T118 E136I112-F116 HydrophobicContact CG2-CB 4.37Å; I112-F116 PolarHBondContact O-N 2.84Å; F116-T118 PolarHBondContact O-N 3.3Å; F116-E136 HydrophobicContact CE1-CB 4.23Å; F116-E136 HydrophobicContact CE2-CB 4.04Å; F116-E136 HydrophobicContact CZ-CB 3.65Å
117P96.1Very high96.6Very high35 Ų3553.7 Ų53.723%0.22728%0.278CS..  trans-55.9133.5176.5-2635.3000112.4V134 M162 K165P117-V134 HydrophobicContact CB-CG2 4.24Å; P117-V134 PolarHBondContact O-N 3.1Å; P117-M162 HydrophobicContact CB-CE 4.07Å; P117-M162 HydrophobicContact CB-SD 3.75Å; P117-K165 HydrophobicContact CB-CD 4.35Å
118T98.1Very high96.8Very high10 Ų1046.7 Ų46.76%0.06125%0.252CS..EExtended strand (participates in β ladder)trans-127.4154.6168.966.20000109.2L85 I113 F116 L133 M162L85-T118 HydrophobicContact CB-CG2 4.39Å; L85-T118 HydrophobicContact CD1-CG2 4.39Å; L85-T118 PolarHBondContact N-OG1 2.6Å; I113-T118 HydrophobicContact CG1-CG2 4.18Å; F116-T118 PolarHBondContact O-N 3.3Å; T118-L133 HydrophobicContact CG2-CB 4.46Å; T118-L133 HydrophobicContact CG2-CD2 3.87Å; T118-L133 HydrophobicContact CG2-CG 3.96Å; T118-M162 VanDerWaalsContact C-CE 3.44Å
119C98.3Very high97Very high5 Ų546 Ų463%0.03425%0.249CC..EExtended strand (participates in β ladder)trans-142.5136.5174.8-175.70000108.7S83 W131 I132 L158 M162S83-C119 CarbonylContact O-C 3.53Å; S83-C119 WeakPolarHBondContact O-CA 3.37Å; C119-W131 CarbonylContact O-C 3.54Å; C119-W131 WeakPolarHBondContact O-CA 3.47Å; C119-I132 HydrophobicContact CB-CG2 3.89Å; C119-I132 PolarHBondContact N-O 2.92Å; C119-I132 PolarHBondContact O-N 3.27Å; C119-L158 HydrophobicContact CB-CD2 4.17Å; C119-L158 WeakPolarHBondContact SG-CD2 3.5Å; C119-M162 HydrophobicContact CB-CE 3.5Å; C119-M162 VanDerWaalsContact CB-CE 3.5Å
120C98.7Very high97Very high0 Ų046 Ų460%025%0.249CC..EExtended strand (participates in β ladder)trans-140162.4178.369.70000111.6I82 S83 L85 P128 A130 W131I82-C120 CarbonylContact C-O 3.5Å; I82-C120 WeakPolarHBondContact CA-O 3.41Å; S83-C120 PolarHBondContact N-O 3.06Å; S83-C120 PolarHBondContact O-N 2.99Å; L85-C120 HydrophobicContact CD2-CB 3.86Å; L85-C120 HydrophobicContact CG-CB 4.17Å; C120-P128 HydrophobicContact CB-CB 4.02Å; C120-A130 CarbonylContact C-O 3.44Å; C120-A130 WeakPolarHBondContact CA-O 3.29Å; C120-A130 VanDerWaalsContact CB-O 3.27Å; C120-A130 WeakPolarHBondContact CB-O 3.28Å; C120-W131 HydrophobicContact CB-CB 3.92Å
121I98.6Very high97.1Very high0 Ų041.2 Ų41.20%023%0.228CC..EExtended strand (participates in β ladder)trans-111.5123168.4-70.3161.2000106.8L78 R81 I82 P128 V129 A130 Y154 V157 L158L78-I121 HydrophobicContact CD1-CD1 4.17Å; L78-I121 HydrophobicContact CD1-CG1 4.43Å; L78-I121 HydrophobicContact CD1-CG2 3.94Å; R81-I121 HydrophobicContact CB-CG2 4.34Å; R81-I121 WeakPolarHBondContact O-CA 3.22Å; I82-I121 HydrophobicContact CG1-CG1 4.44Å; I121-P128 WeakPolarHBondContact O-CA 3.37Å; I121-V129 HydrophobicContact CG2-CG2 4.2Å; I121-V129 WeakPolarHBondContact O-CG2 3.44Å; I121-V129 PolarHBondContact O-N 3.01Å; I121-A130 HydrophobicContact CB-CB 4.45Å; I121-A130 PolarHBondContact N-O 2.9Å; I121-Y154 HydrophobicContact CD1-CD1 3.81Å; I121-Y154 HydrophobicContact CD1-CD2 4.4Å; I121-Y154 HydrophobicContact CD1-CG 3.66Å; I121-Y154 HydrophobicContact CG2-CD1 4.48Å; I121-Y154 HydrophobicContact CG2-CD2 4.28Å; I121-Y154 HydrophobicContact CG2-CE1 4.38Å; I121-Y154 HydrophobicContact CG2-CE2 4.15Å; I121-Y154 HydrophobicContact CG2-CG 4.44Å; I121-V157 HydrophobicContact CD1-CB 4.33Å; I121-V157 HydrophobicContact CD1-CG1 4.41Å; I121-L158 HydrophobicContact CD1-CD1 4.34Å; I121-L158 HydrophobicContact CD1-CD2 4.18Å; I121-L158 HydrophobicContact CD1-CG 3.92Å; I121-L158 HydrophobicContact CG1-CD2 4Å; I121-L158 HydrophobicContact CG1-CG 4.3Å
122L98.3Very high97.2Very high36 Ų3638.1 Ų38.119%0.18821%0.212CC..EExtended strand (participates in β ladder)trans-85153.1177.9-55.4-178.1000110.7R81 V127 P128R81-L122 PolarHBondContact NE-O 3.08Å; R81-L122 PolarHBondContact NH2-O 2.99Å; R81-L122 PolarHBondContact O-N 3.44Å; L122-V127 CarbonylContact C-O 3.58Å; L122-V127 WeakPolarHBondContact CA-O 3.28Å; L122-P128 HydrophobicContact CD2-CB 4.12Å; L122-P128 HydrophobicContact CD2-CG 3.75Å
123D96Very high97.3Very high34 Ų3438.1 Ų38.118%0.18221%0.211CC..  trans-80.9-173.8163.8699.8000112.6Y125 G126 V127 V129D123-Y125 PolarHBondContact O-N 2.93Å; D123-Y125 VanDerWaalsContact OD1-C 3.31Å; D123-Y125 VanDerWaalsContact OD1-CA 3.3Å; D123-Y125 WeakPolarHBondContact OD1-CA 3.39Å; D123-Y125 WeakPolarHBondContact OD1-CB 3.49Å; D123-Y125 PolarHBondContact OD1-N 3.03Å; D123-G126 PolarHBondContact O-N 3.38Å; D123-G126 VanDerWaalsContact O-N 3.15Å; D123-G126 PolarHBondContact OD1-N 3.19Å; D123-V127 PolarHBondContact N-O 3.36Å; D123-V127 PolarHBondContact OD1-N 2.97Å; D123-V129 HydrophobicContact CB-CG1 3.72Å
124T93.4Very high97.2Very high125 Ų12537.3 Ų37.377%0.76721%0.208SC*.THydrogen-bonded Turntrans-66.1-14.7177.350.60000113.6
125Y94.2Very high97.2Very high197 Ų19736 Ų3677%0.77319%0.193SC*.THydrogen-bonded Turntrans-99.93177.5-54.7-73.8000112.2D123D123-Y125 PolarHBondContact O-N 2.93Å; D123-Y125 VanDerWaalsContact OD1-C 3.31Å; D123-Y125 VanDerWaalsContact OD1-CA 3.3Å; D123-Y125 WeakPolarHBondContact OD1-CA 3.39Å; D123-Y125 WeakPolarHBondContact OD1-CB 3.49Å; D123-Y125 PolarHBondContact OD1-N 3.03Å
126G94.4Very high96.9Very high41 Ų4135.4 Ų35.442%0.42319%0.187SC..SBendtrans79.615.8-17900000114.2D123D123-G126 PolarHBondContact O-N 3.38Å; D123-G126 VanDerWaalsContact O-N 3.15Å; D123-G126 PolarHBondContact OD1-N 3.19Å
127V96.4Very high96.8Very high68 Ų6837 Ų3741%0.41219%0.192SC..  trans-95.1132.2179.8-177.20000109.9L122 D123 V129L122-V127 CarbonylContact C-O 3.58Å; L122-V127 WeakPolarHBondContact CA-O 3.28Å; D123-V127 PolarHBondContact N-O 3.36Å; D123-V127 PolarHBondContact OD1-N 2.97Å; V127-V129 PolarHBondContact O-N 2.88Å
128P98.4Very high96.7Very high0 Ų036.9 Ų36.90%019%0.191CC..EExtended strand (participates in β ladder)trans-65.5127.3177.8-15.526.1000112.4L85 H89 M92 C120 I121 L122 W131L85-P128 HydrophobicContact CD2-CB 4.03Å; L85-P128 HydrophobicContact CD2-CG 3.92Å; H89-P128 VanDerWaalsContact CD2-CD 3.48Å; H89-P128 WeakPolarHBondContact CD2-CD 3.16Å; H89-P128 VanDerWaalsContact CD2-CG 3.44Å; H89-P128 WeakPolarHBondContact CD2-CG 3.44Å; H89-P128 WeakPolarHBondContact NE2-CD 3.5Å; M92-P128 HydrophobicContact CE-CB 3.69Å; M92-P128 HydrophobicContact CE-CG 3.8Å; C120-P128 HydrophobicContact CB-CB 4.02Å; I121-P128 WeakPolarHBondContact O-CA 3.37Å; L122-P128 HydrophobicContact CD2-CB 4.12Å; L122-P128 HydrophobicContact CD2-CG 3.75Å; P128-W131 HydrophobicContact CB-CE3 4.27Å
129V98.3Very high96.7Very high2 Ų236.4 Ų36.41%0.01219%0.188CC..EExtended strand (participates in β ladder)trans-111.8-14.6179.1-63.20000113.8I121 D123 V127 L146 H149 Y154I121-V129 HydrophobicContact CG2-CG2 4.2Å; I121-V129 WeakPolarHBondContact O-CG2 3.44Å; I121-V129 PolarHBondContact O-N 3.01Å; D123-V129 HydrophobicContact CB-CG1 3.72Å; V127-V129 PolarHBondContact O-N 2.88Å; V129-L146 HydrophobicContact CB-CD1 4.13Å; V129-L146 HydrophobicContact CG1-CD1 4.1Å; V129-L146 PolarHBondContact O-N 3.41Å; V129-H149 HydrophobicContact CB-CB 4.19Å; V129-H149 WeakPolarHBondContact CG1-NE2 3.25Å; V129-H149 HydrophobicContact CG2-CB 4.38Å; V129-Y154 HydrophobicContact CG2-CD2 4.27Å; V129-Y154 HydrophobicContact CG2-CE2 3.85Å
130A98.5Very high96.7Very high0 Ų036.2 Ų36.20%019%0.187CC..EExtended strand (participates in β ladder)trans-149149.5170.100000109.2C120 I121 Y144 T145 Y154 L158C120-A130 CarbonylContact C-O 3.44Å; C120-A130 WeakPolarHBondContact CA-O 3.29Å; C120-A130 VanDerWaalsContact CB-O 3.27Å; C120-A130 WeakPolarHBondContact CB-O 3.28Å; I121-A130 HydrophobicContact CB-CB 4.45Å; I121-A130 PolarHBondContact N-O 2.9Å; A130-Y144 CarbonylContact C-O 3.47Å; A130-Y144 WeakPolarHBondContact CA-O 3.23Å; A130-Y144 WeakPolarHBondContact CB-O 3.48Å; A130-T145 HydrophobicContact CB-CG2 4.03Å; A130-T145 WeakPolarHBondContact CB-OG1 3.49Å; A130-Y154 HydrophobicContact CB-CD2 4.09Å; A130-Y154 HydrophobicContact CB-CG 4.46Å; A130-L158 HydrophobicContact CB-CD1 3.64Å
131W98.8Very high96.6Very high3 Ų336.8 Ų36.81%0.01119%0.193CC..EExtended strand (participates in β ladder)trans-154.8159.317954.181.7000112.6L85 M92 V93 T96 C119 C120 P128 L133 M142 L143 Y144 L146L85-W131 HydrophobicContact CD1-CB 4.03Å; L85-W131 HydrophobicContact CD1-CG 4.3Å; L85-W131 HydrophobicContact CD2-CB 4.3Å; L85-W131 HydrophobicContact CG-CB 4.41Å; M92-W131 HydrophobicContact CE-CE3 4.16Å; M92-W131 HydrophobicContact CE-CH2 4.37Å; M92-W131 HydrophobicContact CE-CZ3 3.81Å; M92-W131 HydrophobicContact CG-CH2 4.25Å; M92-W131 HydrophobicContact SD-CH2 4.45Å; M92-W131 HydrophobicContact SD-CZ3 4.19Å; V93-W131 HydrophobicContact CG2-CD2 4.39Å; T96-W131 HydrophobicContact CG2-CH2 4.24Å; T96-W131 HydrophobicContact CG2-CZ2 4.29Å; T96-W131 VanDerWaalsContact OG1-CZ2 3.26Å; T96-W131 WeakPolarHBondContact OG1-CZ2 3.48Å; C119-W131 CarbonylContact O-C 3.54Å; C119-W131 WeakPolarHBondContact O-CA 3.47Å; C120-W131 HydrophobicContact CB-CB 3.92Å; P128-W131 HydrophobicContact CB-CE3 4.27Å; W131-L133 HydrophobicContact CG-CD1 4.37Å; W131-M142 VanDerWaalsContact CD1-O 3.31Å; W131-L143 WeakPolarHBondContact O-CA 3.45Å; W131-Y144 AromaticContact CH2-CD1 3.59Å; W131-Y144 HydrophobicContact CH2-CD1 3.59Å; W131-Y144 HydrophobicContact CH2-CE1 4.22Å; W131-Y144 HydrophobicContact CH2-CG 4.47Å; W131-Y144 AromaticContact CZ2-CD1 3.38Å; W131-Y144 HydrophobicContact CZ2-CD1 3.38Å; W131-Y144 HydrophobicContact CZ2-CE1 4.26Å; W131-Y144 AromaticContact CZ2-CG 3.82Å; W131-Y144 HydrophobicContact CZ2-CG 3.82Å; W131-Y144 HydrophobicContact CZ3-CD1 4.46Å; W131-Y144 PolarHBondContact N-O 2.98Å; W131-Y144 PolarHBondContact O-N 2.82Å; W131-L146 HydrophobicContact CH2-CD2 4.2Å; W131-L146 HydrophobicContact CZ3-CG 4.42Å
132I98.7Very high96.5Very high0 Ų037.5 Ų37.50%020%0.197CC..EExtended strand (participates in β ladder)trans-137.6142.8168.4-166.7171.4000108C119 L140 L143 L158 I159 M162C119-I132 HydrophobicContact CB-CG2 3.89Å; C119-I132 PolarHBondContact N-O 2.92Å; C119-I132 PolarHBondContact O-N 3.27Å; I132-L140 HydrophobicContact CD1-CB 4.21Å; I132-L140 HydrophobicContact CD1-CD1 4.46Å; I132-L140 HydrophobicContact CD1-CD2 4.07Å; I132-L143 HydrophobicContact CB-CD1 3.98Å; I132-L143 HydrophobicContact CD1-CB 4.49Å; I132-L143 HydrophobicContact CD1-CD1 4.22Å; I132-L143 HydrophobicContact CG1-CB 4.23Å; I132-L143 HydrophobicContact CG1-CD1 4.23Å; I132-L158 HydrophobicContact CB-CB 4.2Å; I132-L158 HydrophobicContact CG2-CB 3.8Å; I132-L158 HydrophobicContact CG2-CD2 4.45Å; I132-I159 HydrophobicContact CD1-CG1 3.97Å; I132-M162 HydrophobicContact CG2-CB 4.09Å; I132-M162 HydrophobicContact CG2-CE 4.17Å
133L98.3Very high96.5Very high0 Ų037.9 Ų37.90%020%0.198CC..EExtended strand (participates in β ladder)trans-125166.3177.8-61.991.4000109.3L85 V93 F109 I112 I113 T118 W131 G141 M142L85-L133 HydrophobicContact CD1-CD1 3.96Å; L85-L133 HydrophobicContact CD1-CD2 3.99Å; L85-L133 HydrophobicContact CD1-CG 3.96Å; V93-L133 HydrophobicContact CG1-CD1 4.19Å; F109-L133 HydrophobicContact CD1-CD2 4.07Å; F109-L133 HydrophobicContact CE1-CD2 4.26Å; I112-L133 HydrophobicContact CG2-CB 4.13Å; I112-L133 HydrophobicContact CG2-CD2 3.64Å; I112-L133 HydrophobicContact CG2-CG 4.49Å; I113-L133 HydrophobicContact CG1-CD2 4Å; T118-L133 HydrophobicContact CG2-CB 4.46Å; T118-L133 HydrophobicContact CG2-CD2 3.87Å; T118-L133 HydrophobicContact CG2-CG 3.96Å; W131-L133 HydrophobicContact CG-CD1 4.37Å; L133-G141 PolarHBondContact N-O 2.98Å; L133-G141 PolarHBondContact O-N 3.2Å; L133-M142 HydrophobicContact CB-CB 4.31Å; L133-M142 HydrophobicContact CB-CE 3.48Å; L133-M142 VanDerWaalsContact CB-CE 3.48Å; L133-M142 HydrophobicContact CB-SD 4.03Å; L133-M142 HydrophobicContact CD1-CB 3.67Å; L133-M142 HydrophobicContact CD1-SD 4.48Å; L133-M142 HydrophobicContact CD2-SD 4.41Å
134V97.8Very high96.6Very high1 Ų139.4 Ų39.41%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-113.2126.6174.7-179.20000107.9I112 P117 C138 A139 L140 M162 L166I112-V134 WeakPolarHBondContact CG2-O 3.17Å; P117-V134 HydrophobicContact CB-CG2 4.24Å; P117-V134 PolarHBondContact O-N 3.1Å; V134-C138 HydrophobicContact CG1-CB 4.45Å; V134-A139 WeakPolarHBondContact CA-O 3.34Å; V134-L140 HydrophobicContact CG2-CD2 4.25Å; V134-M162 HydrophobicContact CG2-CE 4.21Å; V134-M162 HydrophobicContact CG2-CG 3.8Å; V134-M162 HydrophobicContact CG2-SD 3.76Å; V134-L166 HydrophobicContact CG1-CD2 4.37Å; V134-L166 HydrophobicContact CG2-CD1 4.19Å; V134-L166 HydrophobicContact CG2-CD2 4.31Å
135Y95.6Very high96.8Very high34 Ų3434.2 Ų34.213%0.13317%0.17CC..  trans-66.9165.5174.8-74.8-74.2000111.4I112 Y137 C138 A139 M142I112-Y135 HydrophobicContact CD1-CD1 4.27Å; Y135-Y137 HydrophobicContact CD1-CE1 4.24Å; Y135-Y137 HydrophobicContact CD2-CE2 4.15Å; Y135-Y137 AromaticContact CD2-CZ 3.92Å; Y135-Y137 HydrophobicContact CG-CE1 4.01Å; Y135-Y137 HydrophobicContact CG-CE2 4.1Å; Y135-Y137 AromaticContact CG-CZ 3.6Å; Y135-Y137 PolarHBondContact O-N 3.46Å; Y135-Y137 VanDerWaalsContact O-N 3.08Å; Y135-C138 WeakPolarHBondContact O-CA 3.22Å; Y135-C138 PolarHBondContact O-N 2.75Å; Y135-A139 HydrophobicContact CD2-CB 4.19Å; Y135-A139 PolarHBondContact N-O 3.49Å; Y135-M142 HydrophobicContact CD1-CE 3.61Å; Y135-M142 HydrophobicContact CD1-SD 4.34Å; Y135-M142 HydrophobicContact CD2-CE 3.84Å; Y135-M142 HydrophobicContact CE1-CE 3.52Å; Y135-M142 HydrophobicContact CE1-CG 4.23Å; Y135-M142 HydrophobicContact CE1-SD 3.8Å; Y135-M142 HydrophobicContact CE2-CE 3.79Å; Y135-M142 HydrophobicContact CG-CE 3.76Å; Y135-M142 WeakPolarHBondContact OH-CG 3.46Å
136E92.7Very high97Very high96 Ų9626.4 Ų26.445%0.44914%0.142SC..THydrogen-bonded Turntrans-61.3-18.7177.964.6-161.5139.300114.5F116F116-E136 HydrophobicContact CE1-CB 4.23Å; F116-E136 HydrophobicContact CE2-CB 4.04Å; F116-E136 HydrophobicContact CZ-CB 3.65Å
137Y92.4Very high97.1Very high91 Ų9127.9 Ų27.936%0.35714%0.144SC..THydrogen-bonded Turntrans-98.316.6172.748.3-93.3000113.1Y135 A139 Y174 F176Y135-Y137 HydrophobicContact CD1-CE1 4.24Å; Y135-Y137 HydrophobicContact CD2-CE2 4.15Å; Y135-Y137 AromaticContact CD2-CZ 3.92Å; Y135-Y137 HydrophobicContact CG-CE1 4.01Å; Y135-Y137 HydrophobicContact CG-CE2 4.1Å; Y135-Y137 AromaticContact CG-CZ 3.6Å; Y135-Y137 PolarHBondContact O-N 3.46Å; Y135-Y137 VanDerWaalsContact O-N 3.08Å; Y137-A139 VanDerWaalsContact C-N 3.3Å; Y137-A139 HydrophobicContact CD2-CB 3.67Å; Y137-A139 HydrophobicContact CE2-CB 3.41Å; Y137-A139 VanDerWaalsContact CE2-CB 3.41Å; Y137-A139 PolarHBondContact O-N 2.86Å; Y137-Y174 PolarHBondContact O-OH 3.49Å; Y137-F176 HydrophobicContact CD2-CE2 4.4Å; Y137-F176 HydrophobicContact CE2-CD2 4.02Å; Y137-F176 AromaticContact CE2-CE2 3.81Å; Y137-F176 HydrophobicContact CE2-CE2 3.81Å
138C95.1Very high97.1Very high31 Ų3130.5 Ų30.521%0.20915%0.152CC..SBendtrans71.16.3175.1-56.10000117.1V134 Y135V134-C138 HydrophobicContact CG1-CB 4.45Å; Y135-C138 WeakPolarHBondContact O-CA 3.22Å; Y135-C138 PolarHBondContact O-N 2.75Å
139A97.3Very high97Very high0 Ų032.2 Ų32.20%016%0.16CC..  trans-71.5137.9171.400000111.2V134 Y135 Y137 Y174 F176V134-A139 WeakPolarHBondContact CA-O 3.34Å; Y135-A139 HydrophobicContact CD2-CB 4.19Å; Y135-A139 PolarHBondContact N-O 3.49Å; Y137-A139 VanDerWaalsContact C-N 3.3Å; Y137-A139 HydrophobicContact CD2-CB 3.67Å; Y137-A139 HydrophobicContact CE2-CB 3.41Å; Y137-A139 VanDerWaalsContact CE2-CB 3.41Å; Y137-A139 PolarHBondContact O-N 2.86Å; A139-Y174 HydrophobicContact CB-CD2 4.05Å; A139-Y174 HydrophobicContact CB-CE1 4.38Å; A139-Y174 HydrophobicContact CB-CE2 3.57Å; A139-F176 HydrophobicContact CB-CD2 4.26Å; A139-F176 HydrophobicContact CB-CE2 4.42Å
140L98.4Very high96.9Very high1 Ų138.3 Ų38.31%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-63.1137164.9-62.7176.3000109.2I132 V134 M162 L166 V173 Y174 C175 F188 F193I132-L140 HydrophobicContact CD1-CB 4.21Å; I132-L140 HydrophobicContact CD1-CD1 4.46Å; I132-L140 HydrophobicContact CD1-CD2 4.07Å; V134-L140 HydrophobicContact CG2-CD2 4.25Å; L140-M162 HydrophobicContact CD2-CB 3.76Å; L140-M162 HydrophobicContact CD2-CG 3.26Å; L140-L166 HydrophobicContact CD2-CD1 3.59Å; L140-L166 HydrophobicContact CG-CD1 4.15Å; L140-V173 HydrophobicContact CD1-CG1 3.61Å; L140-V173 HydrophobicContact CG-CG1 4.28Å; L140-Y174 PolarHBondContact N-O 3.48Å; L140-C175 HydrophobicContact CB-CB 3.98Å; L140-C175 WeakPolarHBondContact O-CB 3.44Å; L140-F188 HydrophobicContact CD1-CE1 4.18Å; L140-F193 HydrophobicContact CD1-CE1 4.32Å; L140-F193 HydrophobicContact CD1-CZ 4.03Å
141G96.6Very high96.7Very high12 Ų1248.1 Ų48.112%0.12423%0.228CC..EExtended strand (participates in β ladder)trans-170.5-176.3-179.200000113.5L133 L143L133-G141 PolarHBondContact N-O 2.98Å; L133-G141 PolarHBondContact O-N 3.2Å; G141-L143 PolarHBondContact O-N 3.48Å
142M96.5Very high96.5Very high16 Ų1653 Ų538%0.07925%0.249CC..EExtended strand (participates in β ladder)trans51.829-178.8-56.4148.3-78.100112.1F109 I112 W131 L133 Y135 Y144F109-M142 HydrophobicContact CD1-SD 4.35Å; F109-M142 HydrophobicContact CE1-CB 4.49Å; F109-M142 HydrophobicContact CE1-CG 4.06Å; F109-M142 HydrophobicContact CE1-SD 3.47Å; F109-M142 WeakPolarHBondContact CE1-SD 3.36Å; F109-M142 HydrophobicContact CZ-CG 4.29Å; F109-M142 HydrophobicContact CZ-SD 4.13Å; I112-M142 HydrophobicContact CD1-CE 3.94Å; I112-M142 HydrophobicContact CD1-SD 3.79Å; W131-M142 VanDerWaalsContact CD1-O 3.31Å; L133-M142 HydrophobicContact CB-CB 4.31Å; L133-M142 HydrophobicContact CB-CE 3.48Å; L133-M142 VanDerWaalsContact CB-CE 3.48Å; L133-M142 HydrophobicContact CB-SD 4.03Å; L133-M142 HydrophobicContact CD1-CB 3.67Å; L133-M142 HydrophobicContact CD1-SD 4.48Å; L133-M142 HydrophobicContact CD2-SD 4.41Å; Y135-M142 HydrophobicContact CD1-CE 3.61Å; Y135-M142 HydrophobicContact CD1-SD 4.34Å; Y135-M142 HydrophobicContact CD2-CE 3.84Å; Y135-M142 HydrophobicContact CE1-CE 3.52Å; Y135-M142 HydrophobicContact CE1-CG 4.23Å; Y135-M142 HydrophobicContact CE1-SD 3.8Å; Y135-M142 HydrophobicContact CE2-CE 3.79Å; Y135-M142 HydrophobicContact CG-CE 3.76Å; Y135-M142 WeakPolarHBondContact OH-CG 3.46Å; M142-Y144 PolarHBondContact O-N 3.39Å
143L98.2Very high96.3Very high43 Ų4354.6 Ų54.623%0.22527%0.266CS..EExtended strand (participates in β ladder)trans-65.5123.5176.7174.466.2000108.3W131 I132 G141 A155 L158 I159 L187 F188W131-L143 WeakPolarHBondContact O-CA 3.45Å; I132-L143 HydrophobicContact CB-CD1 3.98Å; I132-L143 HydrophobicContact CD1-CB 4.49Å; I132-L143 HydrophobicContact CD1-CD1 4.22Å; I132-L143 HydrophobicContact CG1-CB 4.23Å; I132-L143 HydrophobicContact CG1-CD1 4.23Å; G141-L143 PolarHBondContact O-N 3.48Å; L143-A155 HydrophobicContact CD1-CB 4.2Å; L143-A155 HydrophobicContact CD2-CB 4.29Å; L143-L158 HydrophobicContact CD1-CB 4.41Å; L143-L158 HydrophobicContact CD1-CD1 4.35Å; L143-I159 HydrophobicContact CD2-CD1 3.72Å; L143-I159 HydrophobicContact CD2-CG1 3.99Å; L143-L187 HydrophobicContact CD2-CD2 4.13Å; L143-F188 HydrophobicContact CD2-CE2 3.94Å; L143-F188 HydrophobicContact CD2-CZ 4.27Å
144Y98.1Very high96.3Very high66 Ų6655.5 Ų55.526%0.25927%0.27SS..EExtended strand (participates in β ladder)trans-146.9151-179.7-164.7-93.7000111.4T96 A130 W131 M142 L146T96-Y144 HydrophobicContact CG2-CE1 4.26Å; A130-Y144 CarbonylContact C-O 3.47Å; A130-Y144 WeakPolarHBondContact CA-O 3.23Å; A130-Y144 WeakPolarHBondContact CB-O 3.48Å; W131-Y144 AromaticContact CH2-CD1 3.59Å; W131-Y144 HydrophobicContact CH2-CD1 3.59Å; W131-Y144 HydrophobicContact CH2-CE1 4.22Å; W131-Y144 HydrophobicContact CH2-CG 4.47Å; W131-Y144 AromaticContact CZ2-CD1 3.38Å; W131-Y144 HydrophobicContact CZ2-CD1 3.38Å; W131-Y144 HydrophobicContact CZ2-CE1 4.26Å; W131-Y144 AromaticContact CZ2-CG 3.82Å; W131-Y144 HydrophobicContact CZ2-CG 3.82Å; W131-Y144 HydrophobicContact CZ3-CD1 4.46Å; W131-Y144 PolarHBondContact N-O 2.98Å; W131-Y144 PolarHBondContact O-N 2.82Å; M142-Y144 PolarHBondContact O-N 3.39Å; Y144-L146 HydrophobicContact CE1-CD2 4.13Å
145T98.3Very high96.3Very high16 Ų1656.4 Ų56.410%0.09828%0.277CS..EExtended strand (participates in β ladder)trans-139.3126.4170.2-59.10000107.2A130 H149 R150 Y154A130-T145 HydrophobicContact CB-CG2 4.03Å; A130-T145 WeakPolarHBondContact CB-OG1 3.49Å; T145-H149 VanDerWaalsContact CG2-C 3.48Å; T145-H149 HydrophobicContact CG2-CB 3.96Å; T145-H149 VanDerWaalsContact CG2-O 3.3Å; T145-H149 WeakPolarHBondContact CG2-O 3.5Å; T145-R150 HydrophobicContact CG2-CG 4Å; T145-R150 PolarHBondContact O-NE 3.36Å; T145-R150 VanDerWaalsContact O-NE 3.17Å; T145-Y154 HydrophobicContact CG2-CD2 4.36Å
146L97.4Very high96.5Very high34 Ų3459.2 Ų59.218%0.17829%0.29CS..  trans-51.5137175.6-69.7178.5000109.5V129 W131 Y144 E148 H149 R150V129-L146 HydrophobicContact CB-CD1 4.13Å; V129-L146 HydrophobicContact CG1-CD1 4.1Å; V129-L146 PolarHBondContact O-N 3.41Å; W131-L146 HydrophobicContact CH2-CD2 4.2Å; W131-L146 HydrophobicContact CZ3-CG 4.42Å; Y144-L146 HydrophobicContact CE1-CD2 4.13Å; L146-E148 VanDerWaalsContact C-N 3.28Å; L146-E148 PolarHBondContact O-N 2.95Å; L146-E148 VanDerWaalsContact O-N 3.15Å; L146-H149 HydrophobicContact CB-CB 4.46Å; L146-H149 CarbonylContact O-C 3.58Å; L146-H149 WeakPolarHBondContact O-CA 3.37Å; L146-H149 PolarHBondContact O-N 3.47Å; L146-R150 PolarHBondContact O-N 3.21Å
147P96.7Very high96.7Very high72 Ų7254.8 Ų54.847%0.46827%0.27SS..G310 helixtrans-47-45.6-174.1-30.836.3000115H149 R150P147-H149 PolarHBondContact O-N 3.21Å; P147-R150 WeakPolarHBondContact O-CB 3.34Å; P147-R150 PolarHBondContact O-N 2.95Å
148E96.8Very high97Very high122 Ų12250.5 Ų50.557%0.5725%0.253SS*.G310 helixtrans-69.6-10.5179.462.5-89.7-149.200114.3L146 K152L146-E148 VanDerWaalsContact C-N 3.28Å; L146-E148 PolarHBondContact O-N 2.95Å; L146-E148 VanDerWaalsContact O-N 3.15Å; E148-K152 PolarHBondContact O-NZ 2.98Å
149H96.8Very high97.2Very high37 Ų3749 Ų4917%0.17124%0.243CC..G310 helixtrans-110.75.5177.2-68.3-79.6000113.6V129 T145 L146 P147 Y154V129-H149 HydrophobicContact CB-CB 4.19Å; V129-H149 WeakPolarHBondContact CG1-NE2 3.25Å; V129-H149 HydrophobicContact CG2-CB 4.38Å; T145-H149 VanDerWaalsContact CG2-C 3.48Å; T145-H149 HydrophobicContact CG2-CB 3.96Å; T145-H149 VanDerWaalsContact CG2-O 3.3Å; T145-H149 WeakPolarHBondContact CG2-O 3.5Å; L146-H149 HydrophobicContact CB-CB 4.46Å; L146-H149 CarbonylContact O-C 3.58Å; L146-H149 WeakPolarHBondContact O-CA 3.37Å; L146-H149 PolarHBondContact O-N 3.47Å; P147-H149 PolarHBondContact O-N 3.21Å; H149-Y154 HydrophobicContact CB-CD2 4.28Å; H149-Y154 HydrophobicContact CB-CE2 4.05Å
150R96.2Very high97.2Very high130 Ų13049.2 Ų49.249%0.49124%0.244SC..THydrogen-bonded Turntrans-70.6166.6176.6-67.5178.7-175.9170.20.3112T145 L146 P147 K152T145-R150 HydrophobicContact CG2-CG 4Å; T145-R150 PolarHBondContact O-NE 3.36Å; T145-R150 VanDerWaalsContact O-NE 3.17Å; L146-R150 PolarHBondContact O-N 3.21Å; P147-R150 WeakPolarHBondContact O-CB 3.34Å; P147-R150 PolarHBondContact O-N 2.95Å; R150-K152 PolarHBondContact O-N 3.01Å; R150-K152 VanDerWaalsContact O-N 3.07Å
151E94Very high97.2Very high205 Ų20551.6 Ų51.696%0.95826%0.259SS*.THydrogen-bonded Turntrans63.810.4178.6-55-179.4169.800115
152K94.8Very high97.3Very high105 Ų10551.2 Ų51.246%0.45725%0.254SS..SBendtrans-97.611.5177.3-65.3169.9-175.3166.90113.8E148 R150 Y154E148-K152 PolarHBondContact O-NZ 2.98Å; R150-K152 PolarHBondContact O-N 3.01Å; R150-K152 VanDerWaalsContact O-N 3.07Å; K152-Y154 HydrophobicContact CB-CD1 3.98Å; K152-Y154 HydrophobicContact CB-CD2 4.45Å; K152-Y154 HydrophobicContact CB-CE1 3.79Å; K152-Y154 HydrophobicContact CB-CE2 4.29Å; K152-Y154 HydrophobicContact CB-CG 4.31Å; K152-Y154 HydrophobicContact CD-CE2 4.26Å; K152-Y154 WeakPolarHBondContact O-CD1 3.28Å; K152-Y154 PolarHBondContact O-N 2.97Å
153G95.5Very high97.4Very high34 Ų3450.4 Ų50.435%0.35125%0.25SS..SBendtrans75.3-2.4-179.700000116A155 K156 V157G153-A155 VanDerWaalsContact C-N 3.34Å; G153-A155 PolarHBondContact O-N 2.76Å; G153-K156 WeakPolarHBondContact O-CB 3.47Å; G153-K156 PolarHBondContact O-N 2.9Å; G153-V157 PolarHBondContact O-N 3.05Å
154Y97.9Very high97.3Very high20 Ų2053.9 Ų53.98%0.07826%0.263CS..Hα-helixtrans-53.1-44-175-69.1-4.5000114.3L78 R81 I121 V129 A130 T145 H149 K152 K156 V157 L158L78-Y154 HydrophobicContact CD1-CD1 3.82Å; L78-Y154 HydrophobicContact CD1-CE1 3.47Å; L78-Y154 VanDerWaalsContact CD1-CE1 3.47Å; L78-Y154 HydrophobicContact CD2-CD1 4.13Å; L78-Y154 HydrophobicContact CD2-CE1 4.16Å; L78-Y154 HydrophobicContact CG-CE1 4.49Å; R81-Y154 PolarHBondContact NH1-OH 3.34Å; R81-Y154 PolarHBondContact NH2-OH 2.91Å; I121-Y154 HydrophobicContact CD1-CD1 3.81Å; I121-Y154 HydrophobicContact CD1-CD2 4.4Å; I121-Y154 HydrophobicContact CD1-CG 3.66Å; I121-Y154 HydrophobicContact CG2-CD1 4.48Å; I121-Y154 HydrophobicContact CG2-CD2 4.28Å; I121-Y154 HydrophobicContact CG2-CE1 4.38Å; I121-Y154 HydrophobicContact CG2-CE2 4.15Å; I121-Y154 HydrophobicContact CG2-CG 4.44Å; V129-Y154 HydrophobicContact CG2-CD2 4.27Å; V129-Y154 HydrophobicContact CG2-CE2 3.85Å; A130-Y154 HydrophobicContact CB-CD2 4.09Å; A130-Y154 HydrophobicContact CB-CG 4.46Å; T145-Y154 HydrophobicContact CG2-CD2 4.36Å; H149-Y154 HydrophobicContact CB-CD2 4.28Å; H149-Y154 HydrophobicContact CB-CE2 4.05Å; K152-Y154 HydrophobicContact CB-CD1 3.98Å; K152-Y154 HydrophobicContact CB-CD2 4.45Å; K152-Y154 HydrophobicContact CB-CE1 3.79Å; K152-Y154 HydrophobicContact CB-CE2 4.29Å; K152-Y154 HydrophobicContact CB-CG 4.31Å; K152-Y154 HydrophobicContact CD-CE2 4.26Å; K152-Y154 WeakPolarHBondContact O-CD1 3.28Å; K152-Y154 PolarHBondContact O-N 2.97Å; Y154-K156 VanDerWaalsContact C-N 3.3Å; Y154-K156 PolarHBondContact O-N 3.22Å; Y154-V157 PolarHBondContact O-N 2.86Å; Y154-L158 VanDerWaalsContact O-CG 3.29Å; Y154-L158 WeakPolarHBondContact O-CG 3.44Å; Y154-L158 PolarHBondContact O-N 3.14Å
155A98.1Very high97.3Very high20 Ų2055.2 Ų55.217%0.16527%0.27CS..Hα-helixtrans-59.3-40.1177.600000112.5L143 G153 L158 I159 L187L143-A155 HydrophobicContact CD1-CB 4.2Å; L143-A155 HydrophobicContact CD2-CB 4.29Å; G153-A155 VanDerWaalsContact C-N 3.34Å; G153-A155 PolarHBondContact O-N 2.76Å; A155-L158 PolarHBondContact O-N 3.27Å; A155-I159 WeakPolarHBondContact O-CB 3.4Å; A155-I159 WeakPolarHBondContact O-CD1 3.14Å; A155-I159 VanDerWaalsContact O-CG1 3.23Å; A155-I159 WeakPolarHBondContact O-CG1 3.04Å; A155-I159 PolarHBondContact O-N 3.02Å; A155-L187 HydrophobicContact CB-CD2 3.81Å
156K98Very high97.3Very high92 Ų9254.6 Ų54.640%0.427%0.267SS..Hα-helixtrans-66.1-40.2177.8-64-178.6178.4-1760111.9P72 G153 Y154 S160 L187 M191P72-K156 HydrophobicContact CB-CB 4.36Å; P72-K156 HydrophobicContact CG-CB 3.87Å; G153-K156 WeakPolarHBondContact O-CB 3.47Å; G153-K156 PolarHBondContact O-N 2.9Å; Y154-K156 VanDerWaalsContact C-N 3.3Å; Y154-K156 PolarHBondContact O-N 3.22Å; K156-S160 WeakPolarHBondContact O-CB 3.33Å; K156-S160 PolarHBondContact O-N 3.2Å; K156-S160 PolarHBondContact O-OG 3.37Å; K156-L187 HydrophobicContact CD-CD1 4.45Å; K156-L187 HydrophobicContact CG-CD1 3.62Å; K156-M191 HydrophobicContact CB-CE 4.22Å; K156-M191 HydrophobicContact CB-SD 3.98Å; K156-M191 HydrophobicContact CG-SD 3.95Å; K156-M191 WeakPolarHBondContact O-CE 3.38Å
157V98.2Very high97.3Very high4 Ų457 Ų572%0.02428%0.277CS..Hα-helixtrans-62.1-50.3176176.60000110P72 V74 L78 I82 I121 G153 Y154 I159 S160 T161P72-V157 HydrophobicContact CG-CG2 3.83Å; V74-V157 HydrophobicContact CG1-CG1 4.49Å; V74-V157 HydrophobicContact CG2-CG1 4.17Å; V74-V157 HydrophobicContact CG2-CG2 3.73Å; L78-V157 HydrophobicContact CD2-CG2 3.88Å; I82-V157 HydrophobicContact CD1-CG1 3.59Å; I82-V157 HydrophobicContact CG1-CG1 4.23Å; I121-V157 HydrophobicContact CD1-CB 4.33Å; I121-V157 HydrophobicContact CD1-CG1 4.41Å; G153-V157 PolarHBondContact O-N 3.05Å; Y154-V157 PolarHBondContact O-N 2.86Å; V157-I159 PolarHBondContact O-N 2.89Å; V157-S160 PolarHBondContact O-N 3Å; V157-T161 WeakPolarHBondContact O-CB 3.41Å; V157-T161 PolarHBondContact O-N 3.26Å; V157-T161 PolarHBondContact O-OG1 3.36Å
158L98.6Very high97.3Very high0 Ų057.5 Ų57.50%029%0.287CS..Hα-helixtrans-60.2-47.1-179.9-69.6172.1000112.8C119 I121 A130 I132 L143 Y154 A155 S160 T161 M162C119-L158 HydrophobicContact CB-CD2 4.17Å; C119-L158 WeakPolarHBondContact SG-CD2 3.5Å; I121-L158 HydrophobicContact CD1-CD1 4.34Å; I121-L158 HydrophobicContact CD1-CD2 4.18Å; I121-L158 HydrophobicContact CD1-CG 3.92Å; I121-L158 HydrophobicContact CG1-CD2 4Å; I121-L158 HydrophobicContact CG1-CG 4.3Å; A130-L158 HydrophobicContact CB-CD1 3.64Å; I132-L158 HydrophobicContact CB-CB 4.2Å; I132-L158 HydrophobicContact CG2-CB 3.8Å; I132-L158 HydrophobicContact CG2-CD2 4.45Å; L143-L158 HydrophobicContact CD1-CB 4.41Å; L143-L158 HydrophobicContact CD1-CD1 4.35Å; Y154-L158 VanDerWaalsContact O-CG 3.29Å; Y154-L158 WeakPolarHBondContact O-CG 3.44Å; Y154-L158 PolarHBondContact O-N 3.14Å; A155-L158 PolarHBondContact O-N 3.27Å; L158-S160 VanDerWaalsContact C-N 3.34Å; L158-S160 PolarHBondContact O-N 3Å; L158-T161 PolarHBondContact O-N 2.85Å; L158-M162 WeakPolarHBondContact O-CB 3.47Å; L158-M162 PolarHBondContact O-N 2.98Å
159I98.6Very high97.3Very high0 Ų056.2 Ų56.20%028%0.284CS..Hα-helixtrans-58.8-47.6175.5-68.1162.6000109.9I132 L143 A155 V157 M162 A163 L187 F188 M191 F193I132-I159 HydrophobicContact CD1-CG1 3.97Å; L143-I159 HydrophobicContact CD2-CD1 3.72Å; L143-I159 HydrophobicContact CD2-CG1 3.99Å; A155-I159 WeakPolarHBondContact O-CB 3.4Å; A155-I159 WeakPolarHBondContact O-CD1 3.14Å; A155-I159 VanDerWaalsContact O-CG1 3.23Å; A155-I159 WeakPolarHBondContact O-CG1 3.04Å; A155-I159 PolarHBondContact O-N 3.02Å; V157-I159 PolarHBondContact O-N 2.89Å; I159-M162 PolarHBondContact O-N 3.45Å; I159-A163 WeakPolarHBondContact O-CB 3.44Å; I159-A163 PolarHBondContact O-N 3.19Å; I159-L187 HydrophobicContact CD1-CD2 3.82Å; I159-L187 HydrophobicContact CD1-CG 4.01Å; I159-F188 HydrophobicContact CD1-CD1 4.42Å; I159-F188 HydrophobicContact CD1-CD2 4.26Å; I159-F188 HydrophobicContact CD1-CE1 4.01Å; I159-F188 HydrophobicContact CD1-CE2 3.84Å; I159-F188 HydrophobicContact CD1-CZ 3.71Å; I159-F188 HydrophobicContact CG1-CE1 4.07Å; I159-F188 HydrophobicContact CG1-CE2 4.44Å; I159-F188 HydrophobicContact CG1-CZ 3.84Å; I159-F188 HydrophobicContact CG2-CD1 4.44Å; I159-F188 HydrophobicContact CG2-CE1 4Å; I159-M191 HydrophobicContact CB-CE 3.75Å; I159-M191 HydrophobicContact CB-SD 3.76Å; I159-M191 HydrophobicContact CD1-SD 3.59Å; I159-M191 VanDerWaalsContact CD1-SD 3.59Å; I159-M191 HydrophobicContact CG1-SD 4.3Å; I159-M191 HydrophobicContact CG2-CE 3.59Å; I159-M191 HydrophobicContact CG2-SD 3.71Å; I159-F193 HydrophobicContact CG2-CE2 3.87Å; I159-F193 HydrophobicContact CG2-CZ 4.12Å
160S98.2Very high97.3Very high4 Ų457.8 Ų57.83%0.02831%0.31CS..Hα-helixtrans-64.4-44.9-177.5-58.40000112.3P72 K156 V157 L158 A163 K164 M191P72-S160 WeakPolarHBondContact CD-OG 3.43Å; K156-S160 WeakPolarHBondContact O-CB 3.33Å; K156-S160 PolarHBondContact O-N 3.2Å; K156-S160 PolarHBondContact O-OG 3.37Å; V157-S160 PolarHBondContact O-N 3Å; L158-S160 VanDerWaalsContact C-N 3.34Å; L158-S160 PolarHBondContact O-N 3Å; S160-A163 PolarHBondContact O-N 2.95Å; S160-K164 WeakPolarHBondContact O-CB 3.39Å; S160-K164 VanDerWaalsContact O-CG 3.28Å; S160-K164 WeakPolarHBondContact O-CG 3.43Å; S160-K164 PolarHBondContact O-N 3.14Å; S160-M191 WeakPolarHBondContact OG-CE 3.48Å
161T97.8Very high97.4Very high52 Ų5257.2 Ų57.232%0.31931%0.308SS..Hα-helixtrans-61.2-46.1178-61.40000110.8I82 V157 L158 K165I82-T161 HydrophobicContact CG2-CG2 4.35Å; V157-T161 WeakPolarHBondContact O-CB 3.41Å; V157-T161 PolarHBondContact O-N 3.26Å; V157-T161 PolarHBondContact O-OG1 3.36Å; L158-T161 PolarHBondContact O-N 2.85Å; T161-K165 WeakPolarHBondContact O-CB 3.35Å; T161-K165 PolarHBondContact O-N 3.34Å; T161-K165 VanDerWaalsContact O-N 3.1Å
162M98.2Very high97.5Very high3 Ų352.3 Ų52.32%0.01529%0.286CS..Hα-helixtrans-72.1-38.6-179.4-164.260.576.300112.5P117 T118 C119 I132 V134 L140 L158 I159 K165 L166P117-M162 HydrophobicContact CB-CE 4.07Å; P117-M162 HydrophobicContact CB-SD 3.75Å; T118-M162 VanDerWaalsContact C-CE 3.44Å; C119-M162 HydrophobicContact CB-CE 3.5Å; C119-M162 VanDerWaalsContact CB-CE 3.5Å; I132-M162 HydrophobicContact CG2-CB 4.09Å; I132-M162 HydrophobicContact CG2-CE 4.17Å; V134-M162 HydrophobicContact CG2-CE 4.21Å; V134-M162 HydrophobicContact CG2-CG 3.8Å; V134-M162 HydrophobicContact CG2-SD 3.76Å; L140-M162 HydrophobicContact CD2-CB 3.76Å; L140-M162 HydrophobicContact CD2-CG 3.26Å; L158-M162 WeakPolarHBondContact O-CB 3.47Å; L158-M162 PolarHBondContact O-N 2.98Å; I159-M162 PolarHBondContact O-N 3.45Å; M162-K165 PolarHBondContact O-N 2.85Å; M162-K165 HydrophobicContact SD-CD 4.28Å; M162-L166 HydrophobicContact CG-CD1 4.21Å; M162-L166 HydrophobicContact CG-CG 4.32Å; M162-L166 WeakPolarHBondContact O-CB 3.48Å; M162-L166 WeakPolarHBondContact O-CG 3.35Å; M162-L166 PolarHBondContact O-N 2.84Å
163A98.3Very high97.7Very high0 Ų047.4 Ų47.40%027%0.265CS..Hα-helixtrans-59.9-47.1175.700000111.5L69 I159 S160 K165 L166 H167 V173L69-A163 HydrophobicContact CD1-CB 4.31Å; L69-A163 HydrophobicContact CD2-CB 4.02Å; I159-A163 WeakPolarHBondContact O-CB 3.44Å; I159-A163 PolarHBondContact O-N 3.19Å; S160-A163 PolarHBondContact O-N 2.95Å; A163-K165 VanDerWaalsContact C-N 3.33Å; A163-K165 PolarHBondContact O-N 3.04Å; A163-L166 PolarHBondContact O-N 2.64Å; A163-H167 VanDerWaalsContact O-CB 3.28Å; A163-H167 WeakPolarHBondContact O-CB 3.36Å; A163-H167 PolarHBondContact O-N 3.38Å; A163-V173 HydrophobicContact CB-CG1 3.76Å; A163-V173 HydrophobicContact CB-CG2 4.25Å; A163-V173 WeakPolarHBondContact O-CG2 3.5Å
164K97.8Very high97.8Very high115 Ų11548.1 Ų48.150%0.526%0.257SS..Hα-helixtrans-60.7-42.2175.8-72.4173.2-178.8179.70111.9I66 L69 S160 A168I66-K164 HydrophobicContact CD1-CG 4.33Å; L69-K164 HydrophobicContact CD2-CG 4.03Å; S160-K164 WeakPolarHBondContact O-CB 3.39Å; S160-K164 VanDerWaalsContact O-CG 3.28Å; S160-K164 WeakPolarHBondContact O-CG 3.43Å; S160-K164 PolarHBondContact O-N 3.14Å; K164-A168 WeakPolarHBondContact O-CB 3.36Å; K164-A168 PolarHBondContact O-N 3.19Å
165K97.3Very high97.8Very high94 Ų9447.3 Ų47.341%0.40925%0.254SS..Hα-helixtrans-62.5-54177.3-179171.7179.8168.80111.8P117 T161 M162 A163 H167 A168 D169P117-K165 HydrophobicContact CB-CD 4.35Å; T161-K165 WeakPolarHBondContact O-CB 3.35Å; T161-K165 PolarHBondContact O-N 3.34Å; T161-K165 VanDerWaalsContact O-N 3.1Å; M162-K165 PolarHBondContact O-N 2.85Å; M162-K165 HydrophobicContact SD-CD 4.28Å; A163-K165 VanDerWaalsContact C-N 3.33Å; A163-K165 PolarHBondContact O-N 3.04Å; K165-H167 VanDerWaalsContact C-N 3.3Å; K165-H167 PolarHBondContact O-N 3.5Å; K165-A168 PolarHBondContact O-N 3.38Å; K165-D169 PolarHBondContact O-N 3.46Å
166L97.8Very high97.8Very high3 Ų348.7 Ų48.72%0.01626%0.256CS..Hα-helixtrans-59.4-41.9179.6-72.6178000111.9V134 L140 M162 A163 D169 G170 Y171 V173V134-L166 HydrophobicContact CG1-CD2 4.37Å; V134-L166 HydrophobicContact CG2-CD1 4.19Å; V134-L166 HydrophobicContact CG2-CD2 4.31Å; L140-L166 HydrophobicContact CD2-CD1 3.59Å; L140-L166 HydrophobicContact CG-CD1 4.15Å; M162-L166 HydrophobicContact CG-CD1 4.21Å; M162-L166 HydrophobicContact CG-CG 4.32Å; M162-L166 WeakPolarHBondContact O-CB 3.48Å; M162-L166 WeakPolarHBondContact O-CG 3.35Å; M162-L166 PolarHBondContact O-N 2.84Å; A163-L166 PolarHBondContact O-N 2.64Å; L166-D169 CarbonylContact O-C 3.58Å; L166-D169 PolarHBondContact O-N 2.89Å; L166-G170 PolarHBondContact O-N 3.08Å; L166-Y171 HydrophobicContact CD2-CD2 4.17Å; L166-Y171 WeakPolarHBondContact O-CB 3.45Å; L166-Y171 PolarHBondContact O-N 3.35Å; L166-V173 HydrophobicContact CB-CG2 4.09Å
167H97.7Very high97.7Very high86 Ų8644.5 Ų44.540%0.39824%0.238SC..Hα-helixtrans-63.8-44176.3178.873000112.5I66 A163 K165 D169 G170 V173I66-H167 HydrophobicContact CB-CB 4.47Å; I66-H167 HydrophobicContact CD1-CB 3.96Å; I66-H167 HydrophobicContact CG1-CB 4.25Å; I66-H167 WeakPolarHBondContact CG2-NE2 3.45Å; A163-H167 VanDerWaalsContact O-CB 3.28Å; A163-H167 WeakPolarHBondContact O-CB 3.36Å; A163-H167 PolarHBondContact O-N 3.38Å; K165-H167 VanDerWaalsContact C-N 3.3Å; K165-H167 PolarHBondContact O-N 3.5Å; H167-D169 PolarHBondContact O-N 2.93Å; H167-G170 WeakPolarHBondContact O-CA 3.41Å; H167-G170 PolarHBondContact O-N 3.2Å; H167-V173 HydrophobicContact CB-CG2 4.37Å
168A97.8Very high97.6Very high82 Ų8245.9 Ų45.968%0.67825%0.245SC*.Hα-helixtrans-61.5-31.8176.300000112.4K164 K165 G170K164-A168 WeakPolarHBondContact O-CB 3.36Å; K164-A168 PolarHBondContact O-N 3.19Å; K165-A168 PolarHBondContact O-N 3.38Å; A168-G170 PolarHBondContact O-N 2.94Å
169D96.3Very high97.4Very high95 Ų9549.3 Ų49.351%0.50826%0.261SS..THydrogen-bonded Turntrans-81.11.1174.8-64.8-20.7000112.9K165 L166 H167 Y171K165-D169 PolarHBondContact O-N 3.46Å; L166-D169 CarbonylContact O-C 3.58Å; L166-D169 PolarHBondContact O-N 2.89Å; H167-D169 PolarHBondContact O-N 2.93Å; D169-Y171 HydrophobicContact CB-CD2 3.64Å; D169-Y171 HydrophobicContact CB-CE2 3.74Å
170G96.7Very high97.3Very high69 Ų6955.1 Ų55.171%0.71129%0.292SS*.THydrogen-bonded Turntrans84.411.7176.900000115.2L166 H167 A168L166-G170 PolarHBondContact O-N 3.08Å; H167-G170 WeakPolarHBondContact O-CA 3.41Å; H167-G170 PolarHBondContact O-N 3.2Å; A168-G170 PolarHBondContact O-N 2.94Å
171Y96.9Very high97.2Very high118 Ų11858 Ų5846%0.46331%0.307SS..PPolyproline II helixtrans-90.1143.3179.2-62.7-73.2000112.5L166 D169 V173L166-Y171 HydrophobicContact CD2-CD2 4.17Å; L166-Y171 WeakPolarHBondContact O-CB 3.45Å; L166-Y171 PolarHBondContact O-N 3.35Å; D169-Y171 HydrophobicContact CB-CD2 3.64Å; D169-Y171 HydrophobicContact CB-CE2 3.74Å; Y171-V173 PolarHBondContact O-N 3.37Å
172Q96.8Very high97.2Very high102 Ų10259.6 Ų59.648%0.47731%0.312SS..PPolyproline II helixtrans-64.5132.2165.6179.756.754.700109.4L63 Y174L63-Q172 PolarHBondContact O-NE2 3.04Å; Q172-Y174 WeakPolarHBondContact O-CD1 3.43Å
173V98.4Very high97.1Very high3 Ų365.3 Ų65.32%0.01835%0.346CS..PPolyproline II helixtrans-91.6119177.5-172.90000109Y62 L63 L140 A163 L166 H167 Y171 F193Y62-V173 WeakPolarHBondContact CA-O 3.3Å; L63-V173 HydrophobicContact CB-CB 4.11Å; L63-V173 HydrophobicContact CB-CG1 4.46Å; L63-V173 HydrophobicContact CD2-CB 4.46Å; L63-V173 PolarHBondContact N-O 3.13Å; L140-V173 HydrophobicContact CD1-CG1 3.61Å; L140-V173 HydrophobicContact CG-CG1 4.28Å; A163-V173 HydrophobicContact CB-CG1 3.76Å; A163-V173 HydrophobicContact CB-CG2 4.25Å; A163-V173 WeakPolarHBondContact O-CG2 3.5Å; L166-V173 HydrophobicContact CB-CG2 4.09Å; H167-V173 HydrophobicContact CB-CG2 4.37Å; Y171-V173 PolarHBondContact O-N 3.37Å; V173-F193 HydrophobicContact CG1-CE1 3.81Å; V173-F193 HydrophobicContact CG1-CZ 3.67Å
174Y98.4Very high97.1Very high49 Ų4966.2 Ų66.219%0.19235%0.353CS..EExtended strand (participates in β ladder)trans-153.9165-179.875-76.7000111.8L60 M61 Y137 A139 L140 Q172 F176L60-Y174 HydrophobicContact CD1-CD2 3.6Å; L60-Y174 HydrophobicContact CD1-CE2 4.39Å; L60-Y174 HydrophobicContact CD1-CG 4.39Å; M61-Y174 CarbonylContact O-C 3.45Å; M61-Y174 WeakPolarHBondContact O-CA 3.36Å; M61-Y174 WeakPolarHBondContact O-CB 3.27Å; Y137-Y174 PolarHBondContact O-OH 3.49Å; A139-Y174 HydrophobicContact CB-CD2 4.05Å; A139-Y174 HydrophobicContact CB-CE1 4.38Å; A139-Y174 HydrophobicContact CB-CE2 3.57Å; L140-Y174 PolarHBondContact N-O 3.48Å; Q172-Y174 WeakPolarHBondContact O-CD1 3.43Å; Y174-F176 AromaticContact CE2-CE2 3.9Å; Y174-F176 HydrophobicContact CE2-CE2 3.9Å; Y174-F176 HydrophobicContact CE2-CZ 4.16Å
175C98.3Very high97.1Very high2 Ų262.6 Ų62.61%0.01434%0.336CS..EExtended strand (participates in β ladder)trans-150.4162.917768.70000111.7M61 L140 F188M61-C175 PolarHBondContact N-O 2.96Å; M61-C175 PolarHBondContact O-N 2.92Å; L140-C175 HydrophobicContact CB-CB 3.98Å; L140-C175 WeakPolarHBondContact O-CB 3.44Å; C175-F188 HydrophobicContact CB-CE1 4.18Å; C175-F188 HydrophobicContact CB-CZ 4.3Å; C175-F188 VanDerWaalsContact SG-CD1 3.57Å; C175-F188 VanDerWaalsContact SG-CE1 3.51Å
176F97.3Very high97.2Very high49 Ų4963.9 Ų63.922%0.21534%0.342CS..EExtended strand (participates in β ladder)trans-109.4130.5170.1-68.3-65.6000109.7V58 H59 L60 Y137 A139 Y174 Y199 A201 W203V58-F176 HydrophobicContact CB-CB 4.06Å; V58-F176 HydrophobicContact CG1-CB 4.43Å; V58-F176 HydrophobicContact CG2-CB 3.77Å; V58-F176 HydrophobicContact CG2-CD1 3.55Å; V58-F176 HydrophobicContact CG2-CE1 4.44Å; V58-F176 HydrophobicContact CG2-CG 3.92Å; H59-F176 WeakPolarHBondContact O-CA 3.4Å; L60-F176 HydrophobicContact CB-CD1 4.33Å; L60-F176 HydrophobicContact CB-CE1 4.05Å; L60-F176 HydrophobicContact CD1-CD1 4.2Å; L60-F176 HydrophobicContact CD1-CE1 3.73Å; L60-F176 HydrophobicContact CD1-CZ 4.17Å; L60-F176 HydrophobicContact CG-CE1 4.37Å; Y137-F176 HydrophobicContact CD2-CE2 4.4Å; Y137-F176 HydrophobicContact CE2-CD2 4.02Å; Y137-F176 AromaticContact CE2-CE2 3.81Å; Y137-F176 HydrophobicContact CE2-CE2 3.81Å; A139-F176 HydrophobicContact CB-CD2 4.26Å; A139-F176 HydrophobicContact CB-CE2 4.42Å; Y174-F176 AromaticContact CE2-CE2 3.9Å; Y174-F176 HydrophobicContact CE2-CE2 3.9Å; Y174-F176 HydrophobicContact CE2-CZ 4.16Å; F176-Y199 HydrophobicContact CE1-CE1 4.2Å; F176-A201 HydrophobicContact CD1-CB 4.22Å; F176-A201 HydrophobicContact CE1-CB 3.86Å; F176-W203 HydrophobicContact CD2-CH2 4.28Å; F176-W203 HydrophobicContact CE2-CH2 4.42Å; F176-W203 HydrophobicContact CG-CH2 4.44Å
177I97.3Very high97.2Very high4 Ų465.2 Ų65.22%0.02135%0.349CS..EExtended strand (participates in β ladder)trans-123.8124.3-178.6-56.6-176.9000109.2V58 H59 M61 N181 F188V58-I177 CarbonylContact C-O 3.55Å; V58-I177 WeakPolarHBondContact CA-O 3.29Å; V58-I177 WeakPolarHBondContact CB-O 3.22Å; H59-I177 PolarHBondContact N-O 2.82Å; H59-I177 PolarHBondContact O-N 2.98Å; M61-I177 HydrophobicContact CB-CD1 4.49Å; M61-I177 HydrophobicContact CG-CD1 3.81Å; M61-I177 HydrophobicContact CG-CG1 4.31Å; I177-N181 HydrophobicContact CG2-CB 4.02Å; I177-F188 HydrophobicContact CD1-CB 3.99Å; I177-F188 HydrophobicContact CD1-CD2 3.55Å; I177-F188 HydrophobicContact CD1-CE2 4.25Å; I177-F188 HydrophobicContact CD1-CG 3.92Å
178E96.1Very high97.2Very high34 Ų3461.4 Ų61.416%0.15933%0.331CS..EExtended strand (participates in β ladder)trans-53.7139174-56.5-170.7119.700111T56 V58 K98 F99 D180 N181T56-E178 PolarHBondContact OG1-OE1 3.5Å; V58-E178 HydrophobicContact CG1-CG 4.38Å; K98-E178 IonicContact NZ-OE1 2.77Å; K98-E178 PolarHBondContact NZ-OE1 3.49Å; K98-E178 IonicContact NZ-OE2 2.83Å; K98-E178 PolarHBondContact NZ-OE2 3.01Å; F99-E178 VanDerWaalsContact CZ-OE1 3.28Å; F99-E178 WeakPolarHBondContact CZ-OE1 3.35Å; E178-D180 VanDerWaalsContact CB-OD1 3.29Å; E178-D180 WeakPolarHBondContact CB-OD1 3.48Å; E178-D180 PolarHBondContact O-N 3.25Å; E178-D180 VanDerWaalsContact O-N 3.17Å; E178-N181 HydrophobicContact CB-CB 4.16Å; E178-N181 WeakPolarHBondContact O-CA 3.41Å; E178-N181 WeakPolarHBondContact O-CB 3.46Å; E178-N181 PolarHBondContact O-N 3.25Å
179E94.7Very high97.3Very high71 Ų7162.4 Ų62.433%0.33232%0.322SS..THydrogen-bonded Turntrans-58.3-31.1-174.6-67.4-178.9171.100114L57 N181 R200L57-E179 VanDerWaalsContact CB-CD 3.49Å; L57-E179 HydrophobicContact CB-CG 4.02Å; L57-E179 WeakPolarHBondContact CB-OE1 3.33Å; L57-E179 PolarHBondContact O-N 2.89Å; E179-N181 VanDerWaalsContact C-N 3.34Å; E179-R200 IonicContact OE1-CZ 2.89Å; E179-R200 IonicContact OE1-NE 3.77Å; E179-R200 PolarHBondContact OE1-NE 3.07Å; E179-R200 IonicContact OE1-NH2 3.2Å; E179-R200 PolarHBondContact OE1-NH2 3.34Å; E179-R200 IonicContact OE2-NH2 2.98Å
180D95.1Very high97.3Very high123 Ų12363.2 Ų63.266%0.65833%0.326SS*.THydrogen-bonded Turntrans-82.1-12.8177.463.3-15.5000112.9E178 M182E178-D180 VanDerWaalsContact CB-OD1 3.29Å; E178-D180 WeakPolarHBondContact CB-OD1 3.48Å; E178-D180 PolarHBondContact O-N 3.25Å; E178-D180 VanDerWaalsContact O-N 3.17Å; D180-M182 PolarHBondContact O-N 2.89Å
181N96.6Very high97.4Very high64 Ų6460 Ų6034%0.34229%0.293SS..  trans-85.459.9-179.3-166.5-9.6000112.1I177 E178 E179 V183 S184 Y185I177-N181 HydrophobicContact CG2-CB 4.02Å; E178-N181 HydrophobicContact CB-CB 4.16Å; E178-N181 WeakPolarHBondContact O-CA 3.41Å; E178-N181 WeakPolarHBondContact O-CB 3.46Å; E178-N181 PolarHBondContact O-N 3.25Å; E179-N181 VanDerWaalsContact C-N 3.34Å; N181-V183 PolarHBondContact O-N 3.33Å; N181-V183 VanDerWaalsContact O-N 3.13Å; N181-S184 VanDerWaalsContact CG-CB 3.48Å; N181-S184 WeakPolarHBondContact ND2-CB 3.49Å; N181-S184 PolarHBondContact O-N 3.07Å; N181-S184 VanDerWaalsContact O-N 3.13Å; N181-S184 VanDerWaalsContact OD1-CB 3.25Å; N181-S184 WeakPolarHBondContact OD1-CB 3.21Å; N181-S184 PolarHBondContact OD1-N 3.24Å; N181-Y185 PolarHBondContact O-N 3.33Å
182M97.6Very high97.5Very high86 Ų8655.2 Ų55.242%0.42428%0.279SS..Hα-helixtrans-61.2-23.4179.2-66.2-52.5-54.100113.5D180 Y185 K186D180-M182 PolarHBondContact O-N 2.89Å; M182-Y185 HydrophobicContact CE-CD1 3.99Å; M182-Y185 HydrophobicContact CE-CG 4.29Å; M182-K186 WeakPolarHBondContact O-CB 3.44Å; M182-K186 VanDerWaalsContact O-CG 3.28Å; M182-K186 WeakPolarHBondContact O-CG 3.2Å; M182-K186 PolarHBondContact O-N 3.23Å
183V96.7Very high97.6Very high122 Ų12250.5 Ų50.574%0.73926%0.257SS*.Hα-helixtrans-67-50.6175.3177.30000110.1N181 L187N181-V183 PolarHBondContact O-N 3.33Å; N181-V183 VanDerWaalsContact O-N 3.13Å; V183-L187 WeakPolarHBondContact O-CB 3.34Å; V183-L187 PolarHBondContact O-N 3.15Å
184S97.7Very high97.6Very high20 Ų2053.1 Ų53.114%0.1427%0.273CS..Hα-helixtrans-66.8-41.4176.5-168.90000111N181 K186 L187 F188N181-S184 VanDerWaalsContact CG-CB 3.48Å; N181-S184 WeakPolarHBondContact ND2-CB 3.49Å; N181-S184 PolarHBondContact O-N 3.07Å; N181-S184 VanDerWaalsContact O-N 3.13Å; N181-S184 VanDerWaalsContact OD1-CB 3.25Å; N181-S184 WeakPolarHBondContact OD1-CB 3.21Å; N181-S184 PolarHBondContact OD1-N 3.24Å; S184-K186 PolarHBondContact O-N 2.85Å; S184-L187 WeakPolarHBondContact O-CB 3.26Å; S184-L187 PolarHBondContact O-N 2.94Å; S184-L187 VanDerWaalsContact O-N 3.13Å; S184-F188 WeakPolarHBondContact O-CD2 3.3Å; S184-F188 PolarHBondContact O-N 2.76Å
185Y98.4Very high97.5Very high38 Ų3852.6 Ų52.615%0.14927%0.272CS..Hα-helixtrans-53.3-54.2177.1-176.7-84000111.7H59 M61 N181 M182 L187 F188 Q189 E195H59-Y185 HydrophobicContact CB-CD2 4.36Å; H59-Y185 HydrophobicContact CB-CE2 4.34Å; H59-Y185 AromaticContact CG-CE2 3.99Å; H59-Y185 AromaticContact ND1-CE2 3.94Å; M61-Y185 HydrophobicContact CE-CE2 4.45Å; M61-Y185 HydrophobicContact SD-CD2 4Å; M61-Y185 HydrophobicContact SD-CE2 3.64Å; N181-Y185 PolarHBondContact O-N 3.33Å; M182-Y185 HydrophobicContact CE-CD1 3.99Å; M182-Y185 HydrophobicContact CE-CG 4.29Å; Y185-L187 VanDerWaalsContact C-N 3.31Å; Y185-L187 PolarHBondContact O-N 3.17Å; Y185-F188 PolarHBondContact O-N 3.17Å; Y185-Q189 WeakPolarHBondContact O-CB 3.42Å; Y185-Q189 PolarHBondContact O-N 3.4Å; Y185-E195 HydrophobicContact CE2-CB 4.43Å; Y185-E195 VanDerWaalsContact CE2-OE2 3.27Å; Y185-E195 WeakPolarHBondContact CE2-OE2 3.47Å; Y185-E195 PolarHBondContact OH-OE2 3.22Å
186K98.3Very high97.4Very high121 Ų12154.7 Ų54.753%0.52628%0.283SS..Hα-helixtrans-64.1-36178.4-71.2176.1-178.1-179.60112.3M182 S184 N190M182-K186 WeakPolarHBondContact O-CB 3.44Å; M182-K186 VanDerWaalsContact O-CG 3.28Å; M182-K186 WeakPolarHBondContact O-CG 3.2Å; M182-K186 PolarHBondContact O-N 3.23Å; S184-K186 PolarHBondContact O-N 2.85Å; K186-N190 VanDerWaalsContact O-CB 3.29Å; K186-N190 WeakPolarHBondContact O-CB 3.38Å; K186-N190 PolarHBondContact O-N 2.9Å; K186-N190 PolarHBondContact O-ND2 3.49Å
187L98.3Very high97.2Very high32 Ų3258 Ų5817%0.16831%0.308CS..Hα-helixtrans-59.6-52.2175.8172.263.2000111L143 A155 K156 I159 V183 S184 Y185 N190 M191L143-L187 HydrophobicContact CD2-CD2 4.13Å; A155-L187 HydrophobicContact CB-CD2 3.81Å; K156-L187 HydrophobicContact CD-CD1 4.45Å; K156-L187 HydrophobicContact CG-CD1 3.62Å; I159-L187 HydrophobicContact CD1-CD2 3.82Å; I159-L187 HydrophobicContact CD1-CG 4.01Å; V183-L187 WeakPolarHBondContact O-CB 3.34Å; V183-L187 PolarHBondContact O-N 3.15Å; S184-L187 WeakPolarHBondContact O-CB 3.26Å; S184-L187 PolarHBondContact O-N 2.94Å; S184-L187 VanDerWaalsContact O-N 3.13Å; Y185-L187 VanDerWaalsContact C-N 3.31Å; Y185-L187 PolarHBondContact O-N 3.17Å; L187-N190 PolarHBondContact O-N 3Å; L187-M191 HydrophobicContact CD1-SD 4.27Å; L187-M191 WeakPolarHBondContact O-CG 3.45Å; L187-M191 PolarHBondContact O-N 3.08Å
188F98.6Very high97Very high6 Ų662.5 Ų62.53%0.02634%0.34CS..Hα-helixtrans-65.2-41179.6-84.7-90.7000111.7M61 L140 L143 I159 C175 I177 S184 Y185 N190 M191 G192 F193M61-F188 HydrophobicContact CE-CB 4.23Å; L140-F188 HydrophobicContact CD1-CE1 4.18Å; L143-F188 HydrophobicContact CD2-CE2 3.94Å; L143-F188 HydrophobicContact CD2-CZ 4.27Å; I159-F188 HydrophobicContact CD1-CD1 4.42Å; I159-F188 HydrophobicContact CD1-CD2 4.26Å; I159-F188 HydrophobicContact CD1-CE1 4.01Å; I159-F188 HydrophobicContact CD1-CE2 3.84Å; I159-F188 HydrophobicContact CD1-CZ 3.71Å; I159-F188 HydrophobicContact CG1-CE1 4.07Å; I159-F188 HydrophobicContact CG1-CE2 4.44Å; I159-F188 HydrophobicContact CG1-CZ 3.84Å; I159-F188 HydrophobicContact CG2-CD1 4.44Å; I159-F188 HydrophobicContact CG2-CE1 4Å; C175-F188 HydrophobicContact CB-CE1 4.18Å; C175-F188 HydrophobicContact CB-CZ 4.3Å; C175-F188 VanDerWaalsContact SG-CD1 3.57Å; C175-F188 VanDerWaalsContact SG-CE1 3.51Å; I177-F188 HydrophobicContact CD1-CB 3.99Å; I177-F188 HydrophobicContact CD1-CD2 3.55Å; I177-F188 HydrophobicContact CD1-CE2 4.25Å; I177-F188 HydrophobicContact CD1-CG 3.92Å; S184-F188 WeakPolarHBondContact O-CD2 3.3Å; S184-F188 PolarHBondContact O-N 2.76Å; Y185-F188 PolarHBondContact O-N 3.17Å; F188-N190 PolarHBondContact O-N 3.44Å; F188-M191 CarbonylContact O-C 3.52Å; F188-M191 WeakPolarHBondContact O-CA 3.32Å; F188-M191 WeakPolarHBondContact O-CB 3.28Å; F188-M191 PolarHBondContact O-N 3.39Å; F188-G192 PolarHBondContact O-N 2.82Å; F188-F193 HydrophobicContact CB-CB 4.1Å; F188-F193 HydrophobicContact CB-CD2 4.39Å; F188-F193 HydrophobicContact CB-CG 4.21Å; F188-F193 AromaticContact CD1-CD1 3.79Å; F188-F193 HydrophobicContact CD1-CD1 3.79Å; F188-F193 AromaticContact CD1-CD2 3.77Å; F188-F193 HydrophobicContact CD1-CD2 3.77Å; F188-F193 AromaticContact CD1-CE1 3.81Å; F188-F193 HydrophobicContact CD1-CE1 3.81Å; F188-F193 AromaticContact CD1-CE2 3.8Å; F188-F193 HydrophobicContact CD1-CE2 3.8Å; F188-F193 AromaticContact CD1-CG 3.78Å; F188-F193 HydrophobicContact CD1-CG 3.78Å; F188-F193 AromaticContact CD1-CZ 3.82Å; F188-F193 HydrophobicContact CD1-CZ 3.82Å; F188-F193 HydrophobicContact CE1-CD1 4.47Å; F188-F193 HydrophobicContact CE1-CE1 4.07Å; F188-F193 HydrophobicContact CE1-CE2 4.28Å; F188-F193 AromaticContact CE1-CZ 3.97Å; F188-F193 HydrophobicContact CE1-CZ 3.97Å; F188-F193 WeakPolarHBondContact O-CB 3.18Å; F188-F193 WeakPolarHBondContact O-CD2 3.37Å; F188-F193 PolarHBondContact O-N 2.8Å; F188-F193 VanDerWaalsContact O-N 3.11Å
189Q98.3Very high96.8Very high103 Ų10363.5 Ų63.548%0.48134%0.342SS..Hα-helixtrans-58.5-46175-169.5-177.78.900112.1M61 Y185 M191 G192 F193M61-Q189 HydrophobicContact CE-CB 4.22Å; Y185-Q189 WeakPolarHBondContact O-CB 3.42Å; Y185-Q189 PolarHBondContact O-N 3.4Å; Q189-M191 PolarHBondContact O-N 3.1Å; Q189-M191 VanDerWaalsContact O-N 3.14Å; Q189-G192 PolarHBondContact O-N 2.85Å; Q189-F193 WeakPolarHBondContact CA-O 3.27Å
190N97.9Very high96.7Very high112 Ų11263.2 Ų63.260%0.59934%0.338SS*.Hα-helixtrans-65-16.2176-72-27.5000113.4K186 L187 F188K186-N190 VanDerWaalsContact O-CB 3.29Å; K186-N190 WeakPolarHBondContact O-CB 3.38Å; K186-N190 PolarHBondContact O-N 2.9Å; K186-N190 PolarHBondContact O-ND2 3.49Å; L187-N190 PolarHBondContact O-N 3Å; F188-N190 PolarHBondContact O-N 3.44Å
191M98.1Very high96.7Very high2 Ų257.4 Ų57.41%0.0131%0.307CS..THydrogen-bonded Turntrans-94.25.7175.9-71.2-167.572.300113.5L69 C70 K156 I159 S160 L187 F188 Q189 F193L69-M191 WeakPolarHBondContact CA-O 3.45Å; L69-M191 HydrophobicContact CD1-CE 4.06Å; C70-M191 PolarHBondContact N-O 3.14Å; C70-M191 VanDerWaalsContact N-O 3.12Å; K156-M191 HydrophobicContact CB-CE 4.22Å; K156-M191 HydrophobicContact CB-SD 3.98Å; K156-M191 HydrophobicContact CG-SD 3.95Å; K156-M191 WeakPolarHBondContact O-CE 3.38Å; I159-M191 HydrophobicContact CB-CE 3.75Å; I159-M191 HydrophobicContact CB-SD 3.76Å; I159-M191 HydrophobicContact CD1-SD 3.59Å; I159-M191 VanDerWaalsContact CD1-SD 3.59Å; I159-M191 HydrophobicContact CG1-SD 4.3Å; I159-M191 HydrophobicContact CG2-CE 3.59Å; I159-M191 HydrophobicContact CG2-SD 3.71Å; S160-M191 WeakPolarHBondContact OG-CE 3.48Å; L187-M191 HydrophobicContact CD1-SD 4.27Å; L187-M191 WeakPolarHBondContact O-CG 3.45Å; L187-M191 PolarHBondContact O-N 3.08Å; F188-M191 CarbonylContact O-C 3.52Å; F188-M191 WeakPolarHBondContact O-CA 3.32Å; F188-M191 WeakPolarHBondContact O-CB 3.28Å; F188-M191 PolarHBondContact O-N 3.39Å; Q189-M191 PolarHBondContact O-N 3.1Å; Q189-M191 VanDerWaalsContact O-N 3.14Å; M191-F193 HydrophobicContact CB-CD2 4.2Å; M191-F193 HydrophobicContact CB-CE2 4.44Å
192G98.3Very high96.6Very high17 Ų1754.4 Ų54.418%0.17529%0.291CS..THydrogen-bonded Turntrans93.64.1176.900000114.9L63 H68 F188 Q189L63-G192 WeakPolarHBondContact CD1-O 3.49Å; H68-G192 WeakPolarHBondContact O-CA 3.32Å; F188-G192 PolarHBondContact O-N 2.82Å; Q189-G192 PolarHBondContact O-N 2.85Å
193F98.6Very high96.4Very high2 Ų252.2 Ų52.21%0.00928%0.278CS..  trans-74.4147.7171.4-68.8-115000110.1M61 Y62 L63 L69 L140 I159 V173 F188 Q189 M191M61-F193 HydrophobicContact CB-CB 4.38Å; M61-F193 HydrophobicContact CB-CD1 4.49Å; M61-F193 HydrophobicContact CE-CB 4Å; Y62-F193 CarbonylContact O-C 3.54Å; Y62-F193 VanDerWaalsContact O-CA 3.29Å; Y62-F193 WeakPolarHBondContact O-CA 3.34Å; L63-F193 HydrophobicContact CB-CD1 4.09Å; L63-F193 HydrophobicContact CB-CD2 4.46Å; L63-F193 HydrophobicContact CB-CE1 3.97Å; L63-F193 HydrophobicContact CB-CE2 4.34Å; L63-F193 HydrophobicContact CB-CG 4.33Å; L63-F193 HydrophobicContact CB-CZ 4.1Å; L63-F193 HydrophobicContact CD1-CD2 4.35Å; L69-F193 HydrophobicContact CD1-CE2 4.34Å; L140-F193 HydrophobicContact CD1-CE1 4.32Å; L140-F193 HydrophobicContact CD1-CZ 4.03Å; I159-F193 HydrophobicContact CG2-CE2 3.87Å; I159-F193 HydrophobicContact CG2-CZ 4.12Å; V173-F193 HydrophobicContact CG1-CE1 3.81Å; V173-F193 HydrophobicContact CG1-CZ 3.67Å; F188-F193 HydrophobicContact CB-CB 4.1Å; F188-F193 HydrophobicContact CB-CD2 4.39Å; F188-F193 HydrophobicContact CB-CG 4.21Å; F188-F193 AromaticContact CD1-CD1 3.79Å; F188-F193 HydrophobicContact CD1-CD1 3.79Å; F188-F193 AromaticContact CD1-CD2 3.77Å; F188-F193 HydrophobicContact CD1-CD2 3.77Å; F188-F193 AromaticContact CD1-CE1 3.81Å; F188-F193 HydrophobicContact CD1-CE1 3.81Å; F188-F193 AromaticContact CD1-CE2 3.8Å; F188-F193 HydrophobicContact CD1-CE2 3.8Å; F188-F193 AromaticContact CD1-CG 3.78Å; F188-F193 HydrophobicContact CD1-CG 3.78Å; F188-F193 AromaticContact CD1-CZ 3.82Å; F188-F193 HydrophobicContact CD1-CZ 3.82Å; F188-F193 HydrophobicContact CE1-CD1 4.47Å; F188-F193 HydrophobicContact CE1-CE1 4.07Å; F188-F193 HydrophobicContact CE1-CE2 4.28Å; F188-F193 AromaticContact CE1-CZ 3.97Å; F188-F193 HydrophobicContact CE1-CZ 3.97Å; F188-F193 WeakPolarHBondContact O-CB 3.18Å; F188-F193 WeakPolarHBondContact O-CD2 3.37Å; F188-F193 PolarHBondContact O-N 2.8Å; F188-F193 VanDerWaalsContact O-N 3.11Å; Q189-F193 WeakPolarHBondContact CA-O 3.27Å; M191-F193 HydrophobicContact CB-CD2 4.2Å; M191-F193 HydrophobicContact CB-CE2 4.44Å
194V98.3Very high96.4Very high59 Ų5947 Ų4736%0.35825%0.245SC..EExtended strand (participates in β ladder)trans-120.1149.3175.5-56.70000109.8M61 Y62 P64M61-V194 CarbonylContact C-O 3.6Å; M61-V194 VanDerWaalsContact CA-O 3.3Å; M61-V194 WeakPolarHBondContact CA-O 3.29Å; Y62-V194 HydrophobicContact CD1-CG2 4.13Å; Y62-V194 HydrophobicContact CD2-CG2 4.37Å; Y62-V194 HydrophobicContact CE1-CG2 3.64Å; Y62-V194 HydrophobicContact CE2-CG2 3.91Å; Y62-V194 HydrophobicContact CG-CG2 4.47Å; Y62-V194 PolarHBondContact N-O 3Å; Y62-V194 PolarHBondContact O-N 2.9Å; P64-V194 HydrophobicContact CG-CG1 4.19Å; P64-V194 HydrophobicContact CG-CG2 3.61Å
195E97.8Very high96.4Very high38 Ų3846.4 Ų46.418%0.17824%0.241CC..EExtended strand (participates in β ladder)trans-78.8136.6172.8-174.5176.9175.300109.9H59 L60 M61 Y185 T197 R200H59-E195 HydrophobicContact CB-CG 4.48Å; H59-E195 IonicContact CE1-OE1 3.59Å; H59-E195 IonicContact CG-OE1 3.76Å; H59-E195 VanDerWaalsContact ND1-CD 3.28Å; H59-E195 IonicContact ND1-OE1 2.72Å; H59-E195 PolarHBondContact ND1-OE1 3.23Å; H59-E195 IonicContact ND1-OE2 3.46Å; L60-E195 WeakPolarHBondContact O-CA 3.36Å; M61-E195 VanDerWaalsContact SD-CA 3.57Å; M61-E195 HydrophobicContact SD-CB 3.62Å; M61-E195 HydrophobicContact SD-CG 4.28Å; Y185-E195 HydrophobicContact CE2-CB 4.43Å; Y185-E195 VanDerWaalsContact CE2-OE2 3.27Å; Y185-E195 WeakPolarHBondContact CE2-OE2 3.47Å; Y185-E195 PolarHBondContact OH-OE2 3.22Å; E195-T197 HydrophobicContact CB-CG2 4.5Å; E195-T197 HydrophobicContact CG-CG2 4.25Å; E195-T197 PolarHBondContact O-N 2.94Å; E195-R200 IonicContact OE1-CZ 2.79Å; E195-R200 IonicContact OE1-NH1 3.96Å; E195-R200 PolarHBondContact OE1-NH1 2.7Å
196D96.1Very high96.3Very high45 Ų4544.6 Ų44.624%0.24123%0.234CC..EExtended strand (participates in β ladder)trans-81.6102.1158.6-170.8-18.9000109.1L60 Y62 S198 Y199L60-D196 HydrophobicContact CB-CB 4.43Å; L60-D196 HydrophobicContact CD2-CB 4.14Å; L60-D196 HydrophobicContact CG-CB 4.28Å; L60-D196 PolarHBondContact O-N 2.96Å; Y62-D196 HydrophobicContact CD1-CB 4.29Å; Y62-D196 HydrophobicContact CE1-CB 3.96Å; D196-S198 PolarHBondContact O-N 2.87Å; D196-S198 WeakPolarHBondContact OD1-CA 3.5Å; D196-S198 WeakPolarHBondContact OD1-CB 3.15Å; D196-S198 PolarHBondContact OD1-N 3.06Å; D196-S198 PolarHBondContact OD1-OG 3.26Å; D196-Y199 VanDerWaalsContact O-O 3.05Å
197T93.2Very high96.2Very high119 Ų11941.2 Ų41.273%0.7322%0.221SC*.EExtended strand (participates in β ladder)trans-76.7-10.1-179.3580000113.4E195E195-T197 HydrophobicContact CB-CG2 4.5Å; E195-T197 HydrophobicContact CG-CG2 4.25Å; E195-T197 PolarHBondContact O-N 2.94Å
198S92Very high95.9Very high99 Ų9945.7 Ų45.769%0.69224%0.24SC*.EExtended strand (participates in β ladder)trans-83.7-16.1178.574.40000112.9D196D196-S198 PolarHBondContact O-N 2.87Å; D196-S198 WeakPolarHBondContact OD1-CA 3.5Å; D196-S198 WeakPolarHBondContact OD1-CB 3.15Å; D196-S198 PolarHBondContact OD1-N 3.06Å; D196-S198 PolarHBondContact OD1-OG 3.26Å
199Y91.8Very high95.8Very high55 Ų5547.7 Ų47.722%0.21625%0.25CS..EExtended strand (participates in β ladder)trans-131.3132-175.3178.8-97.7000111.8G32 D34 L60 F176 D196 A201G32-Y199 PolarHBondContact O-OH 2.99Å; D34-Y199 HydrophobicContact CB-CD2 3.99Å; D34-Y199 HydrophobicContact CB-CE2 3.61Å; D34-Y199 VanDerWaalsContact OD2-CD2 3.23Å; D34-Y199 WeakPolarHBondContact OD2-CD2 3.27Å; L60-Y199 HydrophobicContact CB-CD1 3.99Å; L60-Y199 HydrophobicContact CD2-CD1 3.67Å; L60-Y199 HydrophobicContact CD2-CE1 4.25Å; L60-Y199 HydrophobicContact CG-CD1 4.48Å; F176-Y199 HydrophobicContact CE1-CE1 4.2Å; D196-Y199 VanDerWaalsContact O-O 3.05Å; Y199-A201 HydrophobicContact CE1-CB 3.69Å
200R93.1Very high95.6Very high65 Ų6544.8 Ų44.825%0.24524%0.238CC..EExtended strand (participates in β ladder)trans-131.7120.8174.2-66.3-70.1-83.4-107.3-10.6108.7D34 I35 H59 E179 E195D34-R200 CarbonylContact C-O 3.58Å; D34-R200 WeakPolarHBondContact CA-O 3.48Å; I35-R200 HydrophobicContact CB-CB 4.22Å; I35-R200 HydrophobicContact CG2-CB 3.75Å; I35-R200 PolarHBondContact N-O 3.13Å; H59-R200 PolarHBondContact CE1-NH1 3.3Å; H59-R200 PolarHBondContact CE1-NH2 2.83Å; H59-R200 PolarHBondContact ND1-NH1 3.4Å; E179-R200 IonicContact OE1-CZ 2.89Å; E179-R200 IonicContact OE1-NE 3.77Å; E179-R200 PolarHBondContact OE1-NE 3.07Å; E179-R200 IonicContact OE1-NH2 3.2Å; E179-R200 PolarHBondContact OE1-NH2 3.34Å; E179-R200 IonicContact OE2-NH2 2.98Å; E195-R200 IonicContact OE1-CZ 2.79Å; E195-R200 IonicContact OE1-NH1 3.96Å; E195-R200 PolarHBondContact OE1-NH1 2.7Å
201A94.4Very high95.5Very high1 Ų141.1 Ų41.11%0.00822%0.218CC..EExtended strand (participates in β ladder)trans-87.7142.5-17900000111F33 V58 F176 Y199 W203F33-A201 CarbonylContact O-C 3.57Å; F33-A201 WeakPolarHBondContact O-CA 3.41Å; V58-A201 HydrophobicContact CG2-CB 3.67Å; V58-A201 WeakPolarHBondContact CG2-O 3.47Å; V58-A201 PolarHBondContact N-O 3.31Å; V58-A201 PolarHBondContact O-N 3.12Å; F176-A201 HydrophobicContact CD1-CB 4.22Å; F176-A201 HydrophobicContact CE1-CB 3.86Å; Y199-A201 HydrophobicContact CE1-CB 3.69Å; A201-W203 HydrophobicContact CB-CE3 4.47Å; A201-W203 HydrophobicContact CB-CH2 4.03Å; A201-W203 HydrophobicContact CB-CZ3 3.51Å
202A94.9Very high95.3Very high0 Ų043.4 Ų43.40%023%0.23CC..EExtended strand (participates in β ladder)trans-127.2152.1176.300000111.3G32 F33 T56 F204G32-A202 PolarHBondContact N-O 3.15Å; G32-A202 VanDerWaalsContact N-O 3.09Å; F33-A202 WeakPolarHBondContact CD1-O 3.3Å; F33-A202 HydrophobicContact CE1-CB 3.98Å; F33-A202 VanDerWaalsContact CE1-O 3.28Å; F33-A202 WeakPolarHBondContact CE1-O 3.34Å; F33-A202 HydrophobicContact CE2-CB 4.04Å; F33-A202 HydrophobicContact CZ-CB 3.68Å; F33-A202 PolarHBondContact N-O 3.31Å; F33-A202 PolarHBondContact O-N 3.4Å; T56-A202 WeakPolarHBondContact O-CA 3.33Å; A202-F204 HydrophobicContact CB-CD1 4.04Å; A202-F204 HydrophobicContact CB-CE1 3.91Å
203W94.8Very high95.2Very high41 Ų4145 Ų4516%0.15523%0.234CC..EExtended strand (participates in β ladder)trans-122.6125.6170.7-83.3-105.8000107.9L29 I30 G32 F55 T56 V58 F176 A201L29-W203 HydrophobicContact CD1-CB 4.25Å; I30-W203 WeakPolarHBondContact O-CA 3.46Å; G32-W203 VanDerWaalsContact CA-CH2 3.43Å; G32-W203 VanDerWaalsContact CA-CZ2 3.45Å; F55-W203 WeakPolarHBondContact CA-O 3.45Å; F55-W203 HydrophobicContact CB-CB 4.13Å; F55-W203 VanDerWaalsContact CB-O 3.22Å; F55-W203 WeakPolarHBondContact CB-O 3.44Å; F55-W203 HydrophobicContact CD1-CB 4.13Å; F55-W203 PolarHBondContact N-O 2.97Å; T56-W203 HydrophobicContact CG2-CB 3.97Å; T56-W203 HydrophobicContact CG2-CD2 4.29Å; T56-W203 HydrophobicContact CG2-CE3 4.09Å; T56-W203 HydrophobicContact CG2-CG 4.26Å; T56-W203 PolarHBondContact N-O 2.73Å; T56-W203 PolarHBondContact O-N 3.29Å; V58-W203 HydrophobicContact CG2-CE3 4.34Å; V58-W203 HydrophobicContact CG2-CH2 4.34Å; V58-W203 HydrophobicContact CG2-CZ3 3.54Å; F176-W203 HydrophobicContact CD2-CH2 4.28Å; F176-W203 HydrophobicContact CE2-CH2 4.42Å; F176-W203 HydrophobicContact CG-CH2 4.44Å; A201-W203 HydrophobicContact CB-CE3 4.47Å; A201-W203 HydrophobicContact CB-CH2 4.03Å; A201-W203 HydrophobicContact CB-CZ3 3.51Å
204F96.3Very high94.9Very high11 Ų1147.9 Ų47.95%0.04825%0.249CC..EExtended strand (participates in β ladder)trans-127.5135.9-176.2-88.550.2000110.3L29 I30 F33 V38 R53 S54 A202 F206L29-F204 CarbonylContact C-O 3.54Å; L29-F204 WeakPolarHBondContact CA-O 3.35Å; L29-F204 WeakPolarHBondContact CD1-O 3.46Å; I30-F204 PolarHBondContact N-O 3.02Å; I30-F204 PolarHBondContact O-N 3.43Å; F33-F204 HydrophobicContact CE1-CB 3.95Å; F33-F204 AromaticContact CE1-CD1 3.87Å; F33-F204 HydrophobicContact CE1-CD1 3.87Å; F33-F204 HydrophobicContact CE1-CG 4.11Å; F33-F204 HydrophobicContact CZ-CB 4.11Å; F33-F204 AromaticContact CZ-CD1 3.5Å; F33-F204 HydrophobicContact CZ-CD1 3.5Å; F33-F204 VanDerWaalsContact CZ-CD1 3.5Å; F33-F204 HydrophobicContact CZ-CE1 4.03Å; F33-F204 AromaticContact CZ-CG 3.8Å; F33-F204 HydrophobicContact CZ-CG 3.8Å; V38-F204 HydrophobicContact CG1-CE2 4.07Å; V38-F204 HydrophobicContact CG1-CZ 3.93Å; V38-F204 HydrophobicContact CG2-CE1 4.04Å; V38-F204 HydrophobicContact CG2-CE2 4.36Å; V38-F204 HydrophobicContact CG2-CZ 3.75Å; R53-F204 WeakPolarHBondContact O-CA 3.4Å; S54-F204 WeakPolarHBondContact OG-CE1 3.42Å; A202-F204 HydrophobicContact CB-CD1 4.04Å; A202-F204 HydrophobicContact CB-CE1 3.91Å; F204-F206 HydrophobicContact CB-CD2 4.27Å; F204-F206 HydrophobicContact CB-CE2 3.41Å; F204-F206 VanDerWaalsContact CB-CE2 3.41Å; F204-F206 HydrophobicContact CB-CZ 3.74Å; F204-F206 HydrophobicContact CD2-CZ 4.12Å; F204-F206 HydrophobicContact CG-CE2 4.49Å; F204-F206 HydrophobicContact CG-CZ 4.39Å
205E96.3Very high94.7Very high9 Ų947.1 Ų47.14%0.04224%0.241CC..EExtended strand (participates in β ladder)trans-97.3140.2173.4-74177.9157.700109.8Y27 L29 N52 R53 F55 F208Y27-E205 HydrophobicContact CE2-CB 4.13Å; Y27-E205 HydrophobicContact CE2-CG 4.27Å; Y27-E205 PolarHBondContact OH-OE1 3.09Å; L29-E205 HydrophobicContact CD1-CG 3.63Å; N52-E205 CarbonylContact C-O 3.6Å; N52-E205 VanDerWaalsContact CA-O 3.24Å; N52-E205 WeakPolarHBondContact CA-O 3.16Å; R53-E205 HydrophobicContact CG-CB 4.11Å; R53-E205 IonicContact CZ-OE2 3.11Å; R53-E205 PolarHBondContact N-O 3.1Å; R53-E205 IonicContact NE-OE2 2.7Å; R53-E205 PolarHBondContact NE-OE2 3.21Å; R53-E205 IonicContact NH2-OE2 2.69Å; R53-E205 PolarHBondContact NH2-OE2 2.88Å; R53-E205 PolarHBondContact O-N 3.48Å; F55-E205 HydrophobicContact CB-CG 4.3Å; F55-E205 HydrophobicContact CD2-CG 4.19Å; F55-E205 WeakPolarHBondContact CD2-OE1 3.38Å; E205-F208 HydrophobicContact CB-CD1 4.5Å
206F96.8Very high94.5Very high0 Ų047.8 Ų47.80%025%0.246CC..EExtended strand (participates in β ladder)trans-133.2141.8-177.4-64.3-90.4000111.2W24 Y27 F28 I30 L41 N51 N52 F204W24-F206 HydrophobicContact CH2-CD1 4.41Å; W24-F206 HydrophobicContact CH2-CE1 4.38Å; W24-F206 HydrophobicContact CZ3-CB 4.41Å; W24-F206 AromaticContact CZ3-CD1 3.62Å; W24-F206 HydrophobicContact CZ3-CD1 3.62Å; W24-F206 HydrophobicContact CZ3-CE1 4.02Å; W24-F206 HydrophobicContact CZ3-CG 4.04Å; Y27-F206 WeakPolarHBondContact CD2-O 3.47Å; F28-F206 HydrophobicContact CD1-CB 4.14Å; F28-F206 HydrophobicContact CE1-CB 3.63Å; F28-F206 HydrophobicContact CE1-CG 4.42Å; F28-F206 HydrophobicContact CE2-CB 4.3Å; F28-F206 AromaticContact CE2-CD2 3.99Å; F28-F206 HydrophobicContact CE2-CD2 3.99Å; F28-F206 HydrophobicContact CE2-CG 4.36Å; F28-F206 HydrophobicContact CZ-CB 3.73Å; F28-F206 HydrophobicContact CZ-CD2 4.11Å; F28-F206 HydrophobicContact CZ-CG 4.02Å; F28-F206 PolarHBondContact N-O 3.15Å; F28-F206 PolarHBondContact O-N 3.31Å; I30-F206 HydrophobicContact CB-CE2 4.16Å; I30-F206 HydrophobicContact CD1-CD2 4.26Å; I30-F206 HydrophobicContact CD1-CE2 3.71Å; I30-F206 HydrophobicContact CD1-CZ 4.3Å; I30-F206 HydrophobicContact CG1-CD2 4.07Å; I30-F206 HydrophobicContact CG1-CE2 3.77Å; L41-F206 HydrophobicContact CB-CZ 4.2Å; L41-F206 HydrophobicContact CD2-CZ 4.18Å; N51-F206 WeakPolarHBondContact O-CA 3.41Å; N52-F206 HydrophobicContact CB-CD1 3.42Å; N52-F206 VanDerWaalsContact CB-CD1 3.42Å; N52-F206 HydrophobicContact CB-CE1 3.43Å; N52-F206 VanDerWaalsContact CB-CE1 3.43Å; N52-F206 HydrophobicContact CB-CG 4.32Å; N52-F206 HydrophobicContact CB-CZ 4.32Å; F204-F206 HydrophobicContact CB-CD2 4.27Å; F204-F206 HydrophobicContact CB-CE2 3.41Å; F204-F206 VanDerWaalsContact CB-CE2 3.41Å; F204-F206 HydrophobicContact CB-CZ 3.74Å; F204-F206 HydrophobicContact CD2-CZ 4.12Å; F204-F206 HydrophobicContact CG-CE2 4.49Å; F204-F206 HydrophobicContact CG-CZ 4.39Å
207N96.1Very high94.3Very high50 Ų5048 Ų4827%0.26725%0.246SC..  trans57.760.1173.8-164.832.9000114.2W24 S25 T26 Y27 V50 N51W24-N207 PolarHBondContact O-ND2 2.79Å; S25-N207 PolarHBondContact O-ND2 2.84Å; S25-N207 VanDerWaalsContact O-ND2 3.12Å; T26-N207 WeakPolarHBondContact O-CB 3.42Å; T26-N207 PolarHBondContact O-ND2 2.99Å; Y27-N207 VanDerWaalsContact CA-O 3.32Å; Y27-N207 WeakPolarHBondContact CA-O 3.39Å; Y27-N207 WeakPolarHBondContact CB-O 3.37Å; V50-N207 HydrophobicContact CB-CB 3.88Å; V50-N207 HydrophobicContact CG1-CB 3.9Å; N51-N207 PolarHBondContact O-N 3.23Å; N51-N207 WeakPolarHBondContact OD1-CA 3.32Å; N51-N207 PolarHBondContact OD1-N 2.68Å
208F92.4Very high94.4Very high126 Ų12641.5 Ų41.555%0.55320%0.202SC*.  trans-108.70179.560.4-94.2000113.2Y27 N51 R53 E205Y27-F208 HydrophobicContact CD2-CB 3.71Å; Y27-F208 HydrophobicContact CE2-CB 3.67Å; Y27-F208 HydrophobicContact CG-CB 4.49Å; N51-F208 HydrophobicContact CB-CE1 4.34Å; N51-F208 HydrophobicContact CB-CZ 4.4Å; N51-F208 WeakPolarHBondContact ND2-CE2 3.3Å; N51-F208 WeakPolarHBondContact ND2-CZ 3.48Å; N51-F208 PolarHBondContact ND2-O 2.83Å; N51-F208 PolarHBondContact OD1-N 3.45Å; R53-F208 HydrophobicContact CB-CE1 4.18Å; R53-F208 HydrophobicContact CB-CZ 4.35Å; R53-F208 HydrophobicContact CG-CD1 4.49Å; R53-F208 HydrophobicContact CG-CE1 3.7Å; R53-F208 HydrophobicContact CG-CZ 4.06Å; E205-F208 HydrophobicContact CB-CD1 4.5Å

Retrieved 208 of 208 residues in 753.9 ms (Link to these results)

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