A0A087XDC5_POEFO Loading...

lysozyme

AlphaFold DB , UniProt , Accession A0A087XDC5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 153 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
1M40.6Very low54.7Low238 Ų238144.7 Ų144.7100%1.17281%0.809SS**  0115.90-72.6164.4150.900107.8
2K39.5Very low54.6Low208 Ų208145.4 Ų145.490%0.90481%0.808SS**  trans-90.3110177.1-76.6173.6174171.70107.4L4K2-L4 PolarHBondContact O-N 3.04Å
3V53.7Low54.8Low128 Ų128141.1 Ų141.178%0.77680%0.802SS**  trans-75.7110.9177.8-179.50000107.6V5V3-V5 PolarHBondContact O-N 3.48Å
4L53.2Low54.7Low152 Ų152137 Ų13780%0.79680%0.795SS**  trans-75.9111.3171.6-127.694.1000107.6K2 V6K2-L4 PolarHBondContact O-N 3.04Å; L4-V6 PolarHBondContact O-N 3.48Å
5V59.6Low54.8Low128 Ų128135.1 Ų135.178%0.77679%0.786SS**  trans-85.2104.9170.1-178.80000107V3V3-V5 PolarHBondContact O-N 3.48Å
6V60.3Low54.9Low114 Ų114136.6 Ų136.669%0.69179%0.788SS**  trans-79.8120.1172.2-177.80000107.4L4 A8L4-V6 PolarHBondContact O-N 3.48Å; V6-A8 PolarHBondContact O-N 3.47Å
7P55.4Low55Low101 Ų101132.9 Ų132.966%0.65677%0.769SS**  trans-72.9117175.328.1-26.7000107.9V9P7-V9 VanDerWaalsContact C-N 3.35Å; P7-V9 PolarHBondContact O-N 3.35Å
8A63.8Low55.6Low96 Ų96131.7 Ų131.779%0.79376%0.759SS**  trans-66.395.8170.500000108.5V6 L10V6-A8 PolarHBondContact O-N 3.47Å; A8-L10 PolarHBondContact O-N 3.48Å; A8-L10 VanDerWaalsContact O-N 3.07Å
9V61.4Low56.2Low116 Ų116126.2 Ų126.270%0.70373%0.734SS**  trans-70.9100.2169.7178.50000106.9P7 L11P7-V9 VanDerWaalsContact C-N 3.35Å; P7-V9 PolarHBondContact O-N 3.35Å; V9-L11 VanDerWaalsContact C-N 3.33Å; V9-L11 PolarHBondContact O-N 3.29Å
10L59.1Low57.8Low155 Ų155123.6 Ų123.681%0.81271%0.711SS**  trans-65.994.7166.2-108.6137.9000107.6A8 L12A8-L10 PolarHBondContact O-N 3.48Å; A8-L10 VanDerWaalsContact O-N 3.07Å; L10-L12 PolarHBondContact O-N 3.07Å
11L55.4Low59.6Low156 Ų156122.3 Ų122.382%0.81771%0.705SS**  trans-65.396.5165.4-92.4136.8000107.8V9 A13V9-L11 VanDerWaalsContact C-N 3.33Å; V9-L11 PolarHBondContact O-N 3.29Å; L11-A13 PolarHBondContact O-N 2.96Å
12L53.8Low62.3Low153 Ų153111.3 Ų111.380%0.80165%0.651SS**  trans-64.4103.6159.1-102.591.6000106.7L10 A14L10-L12 PolarHBondContact O-N 3.07Å; L12-A14 VanDerWaalsContact C-N 3.33Å; L12-A14 PolarHBondContact O-N 3.43Å
13A56.7Low65.1Low89 Ų89108.4 Ų108.474%0.73664%0.64SS**  trans-6699163.800000107.2L11 V15L11-A13 PolarHBondContact O-N 2.96Å; A13-V15 PolarHBondContact O-N 3.39Å
14A53.5Low67.2Low84 Ų84106.3 Ų106.369%0.69462%0.618SS**  trans-64.6105.3165.700000106.7L12 L16L12-A14 VanDerWaalsContact C-N 3.33Å; L12-A14 PolarHBondContact O-N 3.43Å; A14-L16 PolarHBondContact O-N 2.95Å
15V56.8Low69.3Low109 Ų109100.1 Ų100.166%0.66159%0.588SS**  trans-66.8104168.5-176.60000105.2A13 V17A13-V15 PolarHBondContact O-N 3.39Å; V15-V17 PolarHBondContact O-N 2.73Å
16L56.2Low71.1Confident158 Ų15897.7 Ų97.783%0.82757%0.568SS**  trans-64.2108.4170.1-69.7171.5000106.3A14 D18A14-L16 PolarHBondContact O-N 2.95Å; L16-D18 VanDerWaalsContact C-N 3.31Å; L16-D18 PolarHBondContact O-N 3.31Å; L16-D18 VanDerWaalsContact O-N 3.09Å
17V56.8Low72.9Confident75 Ų7592.2 Ų92.246%0.45554%0.535SS..  trans-75.993.2168.6173.60000106.2V15 L60 P100 L103V15-V17 PolarHBondContact O-N 2.73Å; V17-L60 HydrophobicContact CG1-CD2 3.93Å; V17-P100 HydrophobicContact CG2-CB 4.07Å; V17-L103 WeakPolarHBondContact CG1-O 3.49Å
18D65.3Low74.9Confident111 Ų11187.4 Ų87.459%0.59450%0.504SS*.  trans-84.6136.2169.6-141.2-15.9000108.3L16 D105L16-D18 VanDerWaalsContact C-N 3.31Å; L16-D18 PolarHBondContact O-N 3.31Å; L16-D18 VanDerWaalsContact O-N 3.09Å; D18-D105 WeakPolarHBondContact CB-OD2 3.38Å; D18-D105 VanDerWaalsContact O-CG 3.26Å; D18-D105 PolarHBondContact O-N 3.41Å
19G66.6Low76.6Confident27 Ų2789 Ų8928%0.27849%0.489SS..  trans-143.6142.5-17100000112.7D105G19-D105 WeakPolarHBondContact CA-OD1 3.48Å; G19-D105 PolarHBondContact N-OD1 3.17Å
20R88.8Confident78.3Confident73 Ų7384.9 Ų84.928%0.27547%0.465SS..  trans-137.7147.2-16566-166.9-91.2179.71.7112.4F22 Q26 T59 D105R20-F22 HydrophobicContact CG-CD2 3.88Å; R20-F22 HydrophobicContact CG-CE2 3.7Å; R20-F22 HydrophobicContact CG-CZ 4.45Å; R20-Q26 VanDerWaalsContact NH2-OE1 3.16Å; R20-T59 HydrophobicContact CG-CG2 3.84Å; R20-T59 PolarHBondContact N-OG1 3.28Å; R20-T59 PolarHBondContact O-N 2.66Å; R20-T59 PolarHBondContact O-OG1 3.23Å; R20-D105 WeakPolarHBondContact CB-OD1 3.09Å; R20-D105 VanDerWaalsContact CD-OD1 3.24Å; R20-D105 WeakPolarHBondContact CD-OD1 3.5Å; R20-D105 WeakPolarHBondContact CG-OD1 3.31Å; R20-D105 PolarHBondContact N-OD1 3.33Å
21V96.4Very high80.2Confident97 Ų9777.5 Ų77.559%0.58843%0.426SS*.BIsolated β-bridgetrans-97.3115.4160.8-174.70000107.4N58V21-N58 HydrophobicContact CG2-CB 3.93Å
22F96.9Very high82.2Confident7 Ų773.2 Ų73.23%0.03140%0.401CS..  trans-73142.2178-76.2-108.7000111.5R20 Q26 W27 T30 Y57 T59 I74 V107R20-F22 HydrophobicContact CG-CD2 3.88Å; R20-F22 HydrophobicContact CG-CE2 3.7Å; R20-F22 HydrophobicContact CG-CZ 4.45Å; F22-Q26 HydrophobicContact CD1-CG 4.2Å; F22-W27 HydrophobicContact CB-CB 3.73Å; F22-W27 HydrophobicContact CB-CG 4.38Å; F22-W27 HydrophobicContact CD1-CB 4.07Å; F22-W27 HydrophobicContact CD1-CD2 4.47Å; F22-W27 AromaticContact CD1-CE3 3.73Å; F22-W27 HydrophobicContact CD1-CE3 3.73Å; F22-W27 HydrophobicContact CD2-CE3 4.02Å; F22-W27 HydrophobicContact CD2-CZ3 4.49Å; F22-W27 AromaticContact CE1-CE3 3.6Å; F22-W27 HydrophobicContact CE1-CE3 3.6Å; F22-W27 HydrophobicContact CE1-CZ3 4.09Å; F22-W27 AromaticContact CE2-CE3 3.93Å; F22-W27 HydrophobicContact CE2-CE3 3.93Å; F22-W27 HydrophobicContact CE2-CZ3 4.01Å; F22-W27 HydrophobicContact CG-CB 4.11Å; F22-W27 HydrophobicContact CG-CD2 4.42Å; F22-W27 AromaticContact CG-CE3 3.93Å; F22-W27 HydrophobicContact CG-CE3 3.93Å; F22-W27 AromaticContact CZ-CE3 3.73Å; F22-W27 HydrophobicContact CZ-CE3 3.73Å; F22-W27 AromaticContact CZ-CZ3 3.8Å; F22-W27 HydrophobicContact CZ-CZ3 3.8Å; F22-T30 HydrophobicContact CE1-CG2 4.3Å; F22-Y57 PolarHBondContact N-O 2.88Å; F22-T59 HydrophobicContact CD2-CG2 4.08Å; F22-T59 HydrophobicContact CE2-CG2 3.61Å; F22-I74 HydrophobicContact CD2-CD1 3.76Å; F22-I74 HydrophobicContact CE2-CD1 4.08Å; F22-V107 HydrophobicContact CE2-CG1 3.68Å; F22-V107 HydrophobicContact CZ-CG1 3.75Å; F22-V107 HydrophobicContact CZ-CG2 4.43Å
23E97.1Very high84.3Confident147 Ų14770.5 Ų70.569%0.68739%0.394SS*.  trans-67.6143.8159.5-65.6-171.3168.100110.6C25 Q26 W27E23-C25 PolarHBondContact O-N 3.46Å; E23-Q26 HydrophobicContact CB-CB 4.17Å; E23-Q26 WeakPolarHBondContact O-CB 3.4Å; E23-Q26 PolarHBondContact O-N 3.49Å; E23-W27 PolarHBondContact O-N 3.43Å
24R97.6Very high86.3Confident84 Ų8469.1 Ų69.132%0.31737%0.374SS..Hα-helixtrans-48.4-52.1-174.9-178.3179.963.490.2-0.7113.7W27 A28 M48 Y57 Y142 Q144 C146R24-W27 PolarHBondContact O-N 3.41Å; R24-A28 PolarHBondContact O-N 3.1Å; R24-M48 HydrophobicContact CG-CE 3.78Å; R24-M48 WeakPolarHBondContact O-CE 3.39Å; R24-Y57 HydrophobicContact CB-CE2 4Å; R24-Y57 HydrophobicContact CG-CE2 4.24Å; R24-Y142 WeakPolarHBondContact CD-O 3.43Å; R24-Y142 WeakPolarHBondContact CG-O 3.44Å; R24-Y142 VanDerWaalsContact NH1-C 3.28Å; R24-Y142 PolarHBondContact NH1-O 3.27Å; R24-Q144 VanDerWaalsContact CZ-O 3.25Å; R24-Q144 PolarHBondContact NH1-O 3.19Å; R24-Q144 PolarHBondContact NH2-O 2.59Å; R24-C146 PolarHBondContact NH1-SG 2.94Å
25C97.9Very high88.4Confident23 Ų2367 Ų6716%0.15536%0.361CS..Hα-helixtrans-77.1-25.8-177-65.20000113.3E23 R29 C146E23-C25 PolarHBondContact O-N 3.46Å; C25-R29 WeakPolarHBondContact O-CG 3.42Å; C25-R29 PolarHBondContact O-N 3.46Å; C25-R29 VanDerWaalsContact O-N 3.16Å; C25-R29 PolarHBondContact O-NE 2.92Å; C25-C146 WeakPolarHBondContact CA-SG 3.43Å; C25-C146 HydrophobicContact CB-CB 3.66Å; C25-C146 WeakPolarHBondContact CB-SG 3.28Å; C25-C146 WeakPolarHBondContact SG-CA 3.33Å; C25-C146 WeakPolarHBondContact SG-CB 3.48Å; C25-C146 CovalentContact SG-SG 2.05Å; C25-C146 PolarHBondContact SG-SG 2.85Å
26Q97.4Very high90.4Very high76 Ų7661.8 Ų61.836%0.35533%0.33SS..Hα-helixtrans-64.3-47.3169.8-169.4-169.234.100109.8R20 F22 E23 A28 R29 T30R20-Q26 VanDerWaalsContact NH2-OE1 3.16Å; F22-Q26 HydrophobicContact CD1-CG 4.2Å; E23-Q26 HydrophobicContact CB-CB 4.17Å; E23-Q26 WeakPolarHBondContact O-CB 3.4Å; E23-Q26 PolarHBondContact O-N 3.49Å; Q26-A28 PolarHBondContact O-N 3.26Å; Q26-R29 PolarHBondContact O-N 3.1Å; Q26-T30 PolarHBondContact O-N 3.18Å; Q26-T30 PolarHBondContact O-OG1 3.43Å
27W98.1Very high92.4Very high0 Ų058 Ų580%031%0.31CS..Hα-helixtrans-61.4-44.4177-175.8-133.6000112.7F22 E23 R24 R29 T30 M31 M48 T51 Y57 I74 F75 V107 I111F22-W27 HydrophobicContact CB-CB 3.73Å; F22-W27 HydrophobicContact CB-CG 4.38Å; F22-W27 HydrophobicContact CD1-CB 4.07Å; F22-W27 HydrophobicContact CD1-CD2 4.47Å; F22-W27 AromaticContact CD1-CE3 3.73Å; F22-W27 HydrophobicContact CD1-CE3 3.73Å; F22-W27 HydrophobicContact CD2-CE3 4.02Å; F22-W27 HydrophobicContact CD2-CZ3 4.49Å; F22-W27 AromaticContact CE1-CE3 3.6Å; F22-W27 HydrophobicContact CE1-CE3 3.6Å; F22-W27 HydrophobicContact CE1-CZ3 4.09Å; F22-W27 AromaticContact CE2-CE3 3.93Å; F22-W27 HydrophobicContact CE2-CE3 3.93Å; F22-W27 HydrophobicContact CE2-CZ3 4.01Å; F22-W27 HydrophobicContact CG-CB 4.11Å; F22-W27 HydrophobicContact CG-CD2 4.42Å; F22-W27 AromaticContact CG-CE3 3.93Å; F22-W27 HydrophobicContact CG-CE3 3.93Å; F22-W27 AromaticContact CZ-CE3 3.73Å; F22-W27 HydrophobicContact CZ-CE3 3.73Å; F22-W27 AromaticContact CZ-CZ3 3.8Å; F22-W27 HydrophobicContact CZ-CZ3 3.8Å; E23-W27 PolarHBondContact O-N 3.43Å; R24-W27 PolarHBondContact O-N 3.41Å; W27-R29 VanDerWaalsContact C-N 3.3Å; W27-R29 PolarHBondContact O-N 3.42Å; W27-T30 HydrophobicContact CE3-CG2 4.1Å; W27-T30 HydrophobicContact CZ3-CG2 3.84Å; W27-T30 WeakPolarHBondContact O-CB 3.49Å; W27-T30 PolarHBondContact O-N 2.99Å; W27-T30 VanDerWaalsContact O-N 3.13Å; W27-M31 HydrophobicContact CD2-CG 3.78Å; W27-M31 VanDerWaalsContact CE2-CG 3.42Å; W27-M31 HydrophobicContact CE3-CG 4.19Å; W27-M31 HydrophobicContact CG-CG 4.35Å; W27-M31 HydrophobicContact CH2-CG 3.96Å; W27-M31 HydrophobicContact CH2-SD 3.5Å; W27-M31 VanDerWaalsContact CH2-SD 3.5Å; W27-M31 HydrophobicContact CZ2-CE 4.07Å; W27-M31 HydrophobicContact CZ2-CG 3.54Å; W27-M31 HydrophobicContact CZ2-SD 3.24Å; W27-M31 WeakPolarHBondContact CZ2-SD 3.26Å; W27-M31 HydrophobicContact CZ3-CG 4.26Å; W27-M31 HydrophobicContact CZ3-SD 4.27Å; W27-M31 WeakPolarHBondContact O-CG 3.38Å; W27-M31 PolarHBondContact O-N 3.01Å; W27-M48 HydrophobicContact CB-CE 4.13Å; W27-M48 HydrophobicContact CB-SD 4.29Å; W27-M48 HydrophobicContact CG-CE 4.25Å; W27-M48 HydrophobicContact CG-SD 3.96Å; W27-T51 HydrophobicContact CZ2-CG2 4.04Å; W27-T51 PolarHBondContact NE1-OG1 3.12Å; W27-Y57 AromaticContact CD1-CD1 3.35Å; W27-Y57 AromaticContact CD1-CE1 3.58Å; W27-Y57 HydrophobicContact CG-CD1 4.15Å; W27-Y57 AromaticContact NE1-CD1 3.9Å; W27-I74 HydrophobicContact CD2-CD1 3.88Å; W27-I74 HydrophobicContact CE3-CD1 3.99Å; W27-I74 HydrophobicContact CH2-CD1 3.84Å; W27-I74 HydrophobicContact CH2-CG2 4.09Å; W27-I74 HydrophobicContact CZ2-CD1 3.67Å; W27-I74 HydrophobicContact CZ2-CG1 4.17Å; W27-I74 HydrophobicContact CZ2-CG2 4.15Å; W27-I74 HydrophobicContact CZ3-CD1 3.98Å; W27-F75 HydrophobicContact CH2-CE2 4.23Å; W27-F75 HydrophobicContact CH2-CZ 4.02Å; W27-F75 HydrophobicContact CZ2-CE1 4.24Å; W27-F75 HydrophobicContact CZ2-CE2 4.21Å; W27-F75 AromaticContact CZ2-CZ 3.67Å; W27-F75 HydrophobicContact CZ2-CZ 3.67Å; W27-V107 HydrophobicContact CH2-CB 4.16Å; W27-V107 HydrophobicContact CH2-CG1 4.12Å; W27-V107 HydrophobicContact CH2-CG2 4.33Å; W27-V107 HydrophobicContact CZ3-CB 4.05Å; W27-V107 HydrophobicContact CZ3-CG1 3.82Å; W27-V107 HydrophobicContact CZ3-CG2 3.89Å; W27-I111 HydrophobicContact CH2-CD1 4.23Å; W27-I111 HydrophobicContact CH2-CG1 4.32Å
28A98.4Very high94.3Very high0 Ų056.4 Ų56.40%031%0.308CS..Hα-helixtrans-59.1-41.5178.100000112.4R24 Q26 M31 K32 M48 L143 L148R24-A28 PolarHBondContact O-N 3.1Å; Q26-A28 PolarHBondContact O-N 3.26Å; A28-M31 PolarHBondContact O-N 3.33Å; A28-K32 WeakPolarHBondContact O-CB 3.34Å; A28-K32 PolarHBondContact O-N 2.95Å; A28-M48 WeakPolarHBondContact CA-SD 3.32Å; A28-M48 HydrophobicContact CB-CE 3.92Å; A28-M48 HydrophobicContact CB-CG 4.21Å; A28-M48 HydrophobicContact CB-SD 3.66Å; A28-M48 PolarHBondContact N-SD 3.2Å; A28-L143 HydrophobicContact CB-CD2 3.9Å; A28-L148 HydrophobicContact CB-CD1 3.88Å
29R97.9Very high95.9Very high128 Ų12854.2 Ų54.248%0.48329%0.293SS..Hα-helixtrans-64.5-43.9174.5-75.5-175.3-71.8-94.84111.8C25 Q26 W27 M31 K32 S33 C146 L148C25-R29 WeakPolarHBondContact O-CG 3.42Å; C25-R29 PolarHBondContact O-N 3.46Å; C25-R29 VanDerWaalsContact O-N 3.16Å; C25-R29 PolarHBondContact O-NE 2.92Å; Q26-R29 PolarHBondContact O-N 3.1Å; W27-R29 VanDerWaalsContact C-N 3.3Å; W27-R29 PolarHBondContact O-N 3.42Å; R29-M31 PolarHBondContact O-N 2.73Å; R29-K32 PolarHBondContact O-N 2.93Å; R29-S33 WeakPolarHBondContact O-CB 3.15Å; R29-S33 PolarHBondContact O-N 2.82Å; R29-S33 PolarHBondContact O-OG 3.13Å; R29-C146 PolarHBondContact NH1-O 3.24Å; R29-L148 HydrophobicContact CG-CD2 3.57Å
30T97.8Very high97.4Very high31 Ų3159.5 Ų59.519%0.1930%0.304CS..Hα-helixtrans-60-44.8175.6-61.50000111.9F22 Q26 W27 S33 N34 V107F22-T30 HydrophobicContact CE1-CG2 4.3Å; Q26-T30 PolarHBondContact O-N 3.18Å; Q26-T30 PolarHBondContact O-OG1 3.43Å; W27-T30 HydrophobicContact CE3-CG2 4.1Å; W27-T30 HydrophobicContact CZ3-CG2 3.84Å; W27-T30 WeakPolarHBondContact O-CB 3.49Å; W27-T30 PolarHBondContact O-N 2.99Å; W27-T30 VanDerWaalsContact O-N 3.13Å; T30-S33 PolarHBondContact O-N 2.84Å; T30-S33 PolarHBondContact O-OG 3.03Å; T30-N34 WeakPolarHBondContact O-CB 3.46Å; T30-N34 PolarHBondContact O-N 3.34Å; T30-N34 PolarHBondContact O-ND2 2.97Å; T30-V107 HydrophobicContact CG2-CG2 3.79Å
31M98.4Very high97.8Very high0 Ų063.9 Ų63.90%033%0.333CS..Hα-helixtrans-65.1-42.1178.1-73-67.4-85.100111.7W27 A28 R29 N34 G35 M36 L44 W47 F75 I111W27-M31 HydrophobicContact CD2-CG 3.78Å; W27-M31 VanDerWaalsContact CE2-CG 3.42Å; W27-M31 HydrophobicContact CE3-CG 4.19Å; W27-M31 HydrophobicContact CG-CG 4.35Å; W27-M31 HydrophobicContact CH2-CG 3.96Å; W27-M31 HydrophobicContact CH2-SD 3.5Å; W27-M31 VanDerWaalsContact CH2-SD 3.5Å; W27-M31 HydrophobicContact CZ2-CE 4.07Å; W27-M31 HydrophobicContact CZ2-CG 3.54Å; W27-M31 HydrophobicContact CZ2-SD 3.24Å; W27-M31 WeakPolarHBondContact CZ2-SD 3.26Å; W27-M31 HydrophobicContact CZ3-CG 4.26Å; W27-M31 HydrophobicContact CZ3-SD 4.27Å; W27-M31 WeakPolarHBondContact O-CG 3.38Å; W27-M31 PolarHBondContact O-N 3.01Å; A28-M31 PolarHBondContact O-N 3.33Å; R29-M31 PolarHBondContact O-N 2.73Å; M31-N34 PolarHBondContact O-N 3.16Å; M31-G35 PolarHBondContact O-N 3.49Å; M31-M36 HydrophobicContact CB-CB 4.23Å; M31-M36 HydrophobicContact CB-CG 4.48Å; M31-M36 HydrophobicContact CE-CB 3.91Å; M31-M36 HydrophobicContact CE-CE 3.51Å; M31-M36 HydrophobicContact CE-CG 3.71Å; M31-M36 HydrophobicContact CE-SD 4.48Å; M31-M36 VanDerWaalsContact O-CB 3.26Å; M31-M36 WeakPolarHBondContact O-CB 3.4Å; M31-M36 WeakPolarHBondContact O-CG 3.42Å; M31-M36 PolarHBondContact O-N 2.92Å; M31-M36 HydrophobicContact SD-CB 4.36Å; M31-M36 HydrophobicContact SD-CE 4.43Å; M31-M36 HydrophobicContact SD-CG 3.8Å; M31-L44 HydrophobicContact CB-CD1 3.46Å; M31-L44 VanDerWaalsContact CB-CD1 3.46Å; M31-W47 HydrophobicContact CE-CB 3.51Å; M31-W47 HydrophobicContact CE-CD2 4.21Å; M31-W47 HydrophobicContact CE-CE3 4.37Å; M31-W47 HydrophobicContact CE-CG 3.88Å; M31-F75 HydrophobicContact CE-CE1 3.72Å; M31-F75 HydrophobicContact CE-CZ 3.7Å; M31-F75 HydrophobicContact SD-CE1 4.4Å; M31-F75 HydrophobicContact SD-CZ 3.8Å; M31-I111 HydrophobicContact SD-CD1 4.03Å; M31-I111 HydrophobicContact SD-CG1 4.09Å
32K97.8Very high97.9Very high66 Ų6660 Ų6029%0.28731%0.309SS..Hα-helixtrans-63.2-46.6175.9-171.2165.6178.9163.90111.8A28 R29 N34 G35 L44 L148 S150A28-K32 WeakPolarHBondContact O-CB 3.34Å; A28-K32 PolarHBondContact O-N 2.95Å; R29-K32 PolarHBondContact O-N 2.93Å; K32-N34 PolarHBondContact O-N 3.31Å; K32-G35 PolarHBondContact O-N 3.31Å; K32-L44 HydrophobicContact CB-CD1 4.4Å; K32-L44 HydrophobicContact CB-CD2 3.93Å; K32-L44 HydrophobicContact CD-CD2 4.3Å; K32-L44 HydrophobicContact CG-CD2 4.46Å; K32-L148 PolarHBondContact NZ-O 2.9Å; K32-S150 PolarHBondContact NZ-OG 3.33Å
33S97.8Very high98Very high95 Ų9561.8 Ų61.866%0.66432%0.322SS*.Hα-helixtrans-64.6-27.3178.967.70000113R29 T30 G35R29-S33 WeakPolarHBondContact O-CB 3.15Å; R29-S33 PolarHBondContact O-N 2.82Å; R29-S33 PolarHBondContact O-OG 3.13Å; T30-S33 PolarHBondContact O-N 2.84Å; T30-S33 PolarHBondContact O-OG 3.03Å; S33-G35 PolarHBondContact O-N 3.46Å
34N98.1Very high98.1Very high60 Ų6054.9 Ų54.932%0.32129%0.29SS..THydrogen-bonded Turntrans-85.410.4173.4-78.4-86.7000113.6T30 M31 K32 M36 I111 K115T30-N34 WeakPolarHBondContact O-CB 3.46Å; T30-N34 PolarHBondContact O-N 3.34Å; T30-N34 PolarHBondContact O-ND2 2.97Å; M31-N34 PolarHBondContact O-N 3.16Å; K32-N34 PolarHBondContact O-N 3.31Å; N34-M36 VanDerWaalsContact C-N 3.35Å; N34-M36 PolarHBondContact O-N 3.49Å; N34-I111 HydrophobicContact CB-CD1 3.82Å; N34-I111 HydrophobicContact CB-CG2 4.19Å; N34-K115 PolarHBondContact O-NZ 2.97Å
35G98Very high98.1Very high40 Ų4051.3 Ų51.341%0.41228%0.278SS..THydrogen-bonded Turntrans65.935175.400000113.4M31 K32 S33M31-G35 PolarHBondContact O-N 3.49Å; K32-G35 PolarHBondContact O-N 3.31Å; S33-G35 PolarHBondContact O-N 3.46Å
36M98.6Very high98.2Very high0 Ų051.8 Ų51.80%028%0.279CS..  trans-83.3-22.1174.6-65.7-67.3-82.200112.5M31 N34 G38 Y39 W47 F75 I111 K115M31-M36 HydrophobicContact CB-CB 4.23Å; M31-M36 HydrophobicContact CB-CG 4.48Å; M31-M36 HydrophobicContact CE-CB 3.91Å; M31-M36 HydrophobicContact CE-CE 3.51Å; M31-M36 HydrophobicContact CE-CG 3.71Å; M31-M36 HydrophobicContact CE-SD 4.48Å; M31-M36 VanDerWaalsContact O-CB 3.26Å; M31-M36 WeakPolarHBondContact O-CB 3.4Å; M31-M36 WeakPolarHBondContact O-CG 3.42Å; M31-M36 PolarHBondContact O-N 2.92Å; M31-M36 HydrophobicContact SD-CB 4.36Å; M31-M36 HydrophobicContact SD-CE 4.43Å; M31-M36 HydrophobicContact SD-CG 3.8Å; N34-M36 VanDerWaalsContact C-N 3.35Å; N34-M36 PolarHBondContact O-N 3.49Å; M36-G38 PolarHBondContact O-N 3.05Å; M36-Y39 PolarHBondContact O-N 3.17Å; M36-W47 HydrophobicContact CB-CG 4.42Å; M36-W47 HydrophobicContact CE-CD2 3.52Å; M36-W47 VanDerWaalsContact CE-CE2 3.46Å; M36-W47 HydrophobicContact CE-CE3 3.66Å; M36-W47 HydrophobicContact CE-CG 4.16Å; M36-W47 HydrophobicContact CE-CH2 3.65Å; M36-W47 HydrophobicContact CE-CZ2 3.55Å; M36-W47 HydrophobicContact CE-CZ3 3.73Å; M36-W47 PolarHBondContact O-NE1 3.3Å; M36-F75 HydrophobicContact CE-CZ 4.49Å; M36-I111 HydrophobicContact CE-CG2 4.48Å; M36-I111 HydrophobicContact CG-CG2 4.07Å; M36-I111 HydrophobicContact SD-CG2 3.72Å; M36-K115 HydrophobicContact SD-CD 4.14Å; M36-K115 WeakPolarHBondContact SD-CE 3.26Å; M36-K115 HydrophobicContact SD-CG 3.65Å
37D98.1Very high98.3Very high78 Ų7848.2 Ų48.242%0.41726%0.263SS..THydrogen-bonded Turntrans-68.3112.4177.4-163.612000111Y39 L44D37-Y39 VanDerWaalsContact C-N 3.3Å; D37-Y39 PolarHBondContact O-N 3.45Å; D37-L44 HydrophobicContact CB-CB 3.84Å; D37-L44 WeakPolarHBondContact OD1-CB 3.31Å; D37-L44 PolarHBondContact OD1-N 3.39Å
38G98.2Very high98.3Very high41 Ų4148.2 Ų48.242%0.42326%0.263SS..THydrogen-bonded Turntrans81.32.7-177.600000114.5M36 R40 D41 I42M36-G38 PolarHBondContact O-N 3.05Å; G38-R40 PolarHBondContact O-N 2.88Å; G38-R40 VanDerWaalsContact O-N 3.1Å; G38-D41 PolarHBondContact O-N 3.21Å; G38-D41 VanDerWaalsContact O-N 3.1Å; G38-I42 VanDerWaalsContact CA-O 3.32Å; G38-I42 WeakPolarHBondContact CA-O 3.06Å; G38-I42 PolarHBondContact N-O 3.06Å
39Y98.6Very high98.3Very high66 Ų6648.2 Ų48.226%0.25926%0.263SS..BIsolated β-bridgetrans-63.6116.8177.8-176.7-96.2000110.3M36 D37 D41 I42 W47 K115 V118M36-Y39 PolarHBondContact O-N 3.17Å; D37-Y39 VanDerWaalsContact C-N 3.3Å; D37-Y39 PolarHBondContact O-N 3.45Å; Y39-D41 VanDerWaalsContact C-N 3.29Å; Y39-D41 PolarHBondContact O-N 2.05Å; Y39-I42 WeakPolarHBondContact O-CB 3.38Å; Y39-I42 PolarHBondContact O-N 3.25Å; Y39-W47 HydrophobicContact CD1-CZ2 4.43Å; Y39-K115 HydrophobicContact CD1-CB 4.39Å; Y39-K115 HydrophobicContact CD1-CG 3.88Å; Y39-K115 HydrophobicContact CD2-CD 4.25Å; Y39-K115 HydrophobicContact CD2-CG 4.41Å; Y39-K115 HydrophobicContact CE1-CB 3.62Å; Y39-K115 HydrophobicContact CE1-CD 4.31Å; Y39-K115 HydrophobicContact CE1-CG 3.58Å; Y39-K115 WeakPolarHBondContact CE1-O 3.33Å; Y39-K115 HydrophobicContact CE2-CB 4.48Å; Y39-K115 HydrophobicContact CE2-CD 3.98Å; Y39-K115 HydrophobicContact CE2-CG 4.17Å; Y39-K115 HydrophobicContact CG-CG 4.27Å; Y39-K115 PolarHBondContact OH-O 3.4Å; Y39-K115 VanDerWaalsContact OH-O 3.12Å; Y39-V118 HydrophobicContact CD1-CG2 3.85Å; Y39-V118 HydrophobicContact CE1-CG2 3.54Å
40R97.9Very high98.4Very high138 Ų13842.1 Ų42.152%0.52124%0.24SC..THydrogen-bonded Turntrans57.240.9-174.7-59.8-77.2-106.5170.1-6.2112.5G38 I42 V118 R119G38-R40 PolarHBondContact O-N 2.88Å; G38-R40 VanDerWaalsContact O-N 3.1Å; R40-I42 HydrophobicContact CB-CD1 4.37Å; R40-I42 PolarHBondContact O-N 3.26Å; R40-V118 HydrophobicContact CB-CG2 4.48Å; R40-V118 HydrophobicContact CG-CG2 4.23Å; R40-R119 VanDerWaalsContact NH2-CA 3.34Å; R40-R119 PolarHBondContact NH2-O 3.03Å
41D97.8Very high98.4Very high165 Ų16540.6 Ų40.688%0.88223%0.23SC*.THydrogen-bonded Turntrans62.819.7-180-52-53.7000114.1G38 Y39G38-D41 PolarHBondContact O-N 3.21Å; G38-D41 VanDerWaalsContact O-N 3.1Å; Y39-D41 VanDerWaalsContact C-N 3.29Å; Y39-D41 PolarHBondContact O-N 2.05Å
42I98.7Very high98.4Very high15 Ų1545.8 Ų45.88%0.07725%0.251CS..BIsolated β-bridgetrans-99.8111.9176.2-58.6157.1000108.5G38 Y39 R40 N46 W47 V118 I124G38-I42 VanDerWaalsContact CA-O 3.32Å; G38-I42 WeakPolarHBondContact CA-O 3.06Å; G38-I42 PolarHBondContact N-O 3.06Å; Y39-I42 WeakPolarHBondContact O-CB 3.38Å; Y39-I42 PolarHBondContact O-N 3.25Å; R40-I42 HydrophobicContact CB-CD1 4.37Å; R40-I42 PolarHBondContact O-N 3.26Å; I42-N46 HydrophobicContact CG2-CB 3.74Å; I42-W47 HydrophobicContact CB-CZ2 4.26Å; I42-W47 HydrophobicContact CD1-CH2 4.25Å; I42-W47 HydrophobicContact CD1-CZ2 3.69Å; I42-W47 HydrophobicContact CG2-CD2 4.04Å; I42-W47 HydrophobicContact CG2-CG 4.14Å; I42-W47 HydrophobicContact CG2-CZ2 4.13Å; I42-W47 VanDerWaalsContact CG2-NE1 3.34Å; I42-V118 HydrophobicContact CD1-CB 3.95Å; I42-V118 HydrophobicContact CD1-CG1 3.76Å; I42-V118 HydrophobicContact CD1-CG2 4.25Å; I42-I124 HydrophobicContact CD1-CB 3.82Å; I42-I124 HydrophobicContact CD1-CD1 4.48Å; I42-I124 HydrophobicContact CD1-CG2 4.39Å; I42-I124 HydrophobicContact CG1-CB 4.26Å; I42-I124 HydrophobicContact CG1-CG2 4.34Å; I42-I124 HydrophobicContact CG2-CD1 3.55Å
43S98.6Very high98.5Very high44 Ų4447.8 Ų47.831%0.30826%0.257SS..  trans-60.2152.1175.965.80000112.2A45 N46 W47S43-A45 PolarHBondContact O-N 2.73Å; S43-A45 VanDerWaalsContact O-N 3.14Å; S43-N46 WeakPolarHBondContact O-CB 3.37Å; S43-N46 PolarHBondContact O-N 2.88Å; S43-N46 PolarHBondContact OG-N 3Å; S43-N46 PolarHBondContact OG-ND2 3.39Å; S43-W47 PolarHBondContact O-N 3.33Å
44L98.6Very high98.5Very high2 Ų245.2 Ų45.21%0.0123%0.234CC..Hα-helixtrans-51.5-38.6172.5-173.464.6000114M31 K32 D37 N46 W47 M48 L143 L148M31-L44 HydrophobicContact CB-CD1 3.46Å; M31-L44 VanDerWaalsContact CB-CD1 3.46Å; K32-L44 HydrophobicContact CB-CD1 4.4Å; K32-L44 HydrophobicContact CB-CD2 3.93Å; K32-L44 HydrophobicContact CD-CD2 4.3Å; K32-L44 HydrophobicContact CG-CD2 4.46Å; D37-L44 HydrophobicContact CB-CB 3.84Å; D37-L44 WeakPolarHBondContact OD1-CB 3.31Å; D37-L44 PolarHBondContact OD1-N 3.39Å; L44-N46 VanDerWaalsContact C-N 3.29Å; L44-N46 PolarHBondContact O-N 2.96Å; L44-W47 WeakPolarHBondContact O-CB 3.37Å; L44-W47 PolarHBondContact O-N 2.78Å; L44-M48 WeakPolarHBondContact O-CG 3.07Å; L44-M48 PolarHBondContact O-N 3.29Å; L44-L143 HydrophobicContact CB-CD1 4.19Å; L44-L143 HydrophobicContact CD2-CD1 4.21Å; L44-L143 HydrophobicContact CD2-CD2 3.93Å; L44-L143 HydrophobicContact CG-CD1 4.32Å; L44-L143 HydrophobicContact CG-CD2 3.97Å; L44-L148 HydrophobicContact CD2-CD1 3.76Å
45A98.6Very high98.5Very high10 Ų1043.2 Ų43.28%0.08323%0.225CC..Hα-helixtrans-61.8-35.2179.800000113.1S43 M48 C49 V139 L143S43-A45 PolarHBondContact O-N 2.73Å; S43-A45 VanDerWaalsContact O-N 3.14Å; A45-M48 PolarHBondContact O-N 3.44Å; A45-C49 WeakPolarHBondContact O-CB 3.34Å; A45-C49 PolarHBondContact O-N 3.05Å; A45-V139 HydrophobicContact CB-CB 4.13Å; A45-V139 HydrophobicContact CB-CG2 3.63Å; A45-L143 HydrophobicContact CB-CD1 3.79Å; A45-L143 HydrophobicContact CB-CG 4.03Å
46N98.8Very high98.5Very high33 Ų3342.9 Ų42.918%0.17622%0.221CC..Hα-helixtrans-67.2-42.5175.8-88.7-75.1000111.5I42 S43 L44 C49 L50 I124 W130I42-N46 HydrophobicContact CG2-CB 3.74Å; S43-N46 WeakPolarHBondContact O-CB 3.37Å; S43-N46 PolarHBondContact O-N 2.88Å; S43-N46 PolarHBondContact OG-N 3Å; S43-N46 PolarHBondContact OG-ND2 3.39Å; L44-N46 VanDerWaalsContact C-N 3.29Å; L44-N46 PolarHBondContact O-N 2.96Å; N46-C49 PolarHBondContact O-N 2.89Å; N46-L50 WeakPolarHBondContact O-CB 3.34Å; N46-L50 PolarHBondContact O-N 3.14Å; N46-I124 HydrophobicContact CB-CD1 4.14Å; N46-W130 PolarHBondContact OD1-NE1 3.44Å
47W98.8Very high98.5Very high0 Ų043.5 Ų43.50%022%0.224CC..Hα-helixtrans-62.5-42.9174.4-70.3116.9000112.6M31 M36 Y39 I42 S43 L44 L50 T51 F75 A114 V118 I124 W127M31-W47 HydrophobicContact CE-CB 3.51Å; M31-W47 HydrophobicContact CE-CD2 4.21Å; M31-W47 HydrophobicContact CE-CE3 4.37Å; M31-W47 HydrophobicContact CE-CG 3.88Å; M36-W47 HydrophobicContact CB-CG 4.42Å; M36-W47 HydrophobicContact CE-CD2 3.52Å; M36-W47 VanDerWaalsContact CE-CE2 3.46Å; M36-W47 HydrophobicContact CE-CE3 3.66Å; M36-W47 HydrophobicContact CE-CG 4.16Å; M36-W47 HydrophobicContact CE-CH2 3.65Å; M36-W47 HydrophobicContact CE-CZ2 3.55Å; M36-W47 HydrophobicContact CE-CZ3 3.73Å; M36-W47 PolarHBondContact O-NE1 3.3Å; Y39-W47 HydrophobicContact CD1-CZ2 4.43Å; I42-W47 HydrophobicContact CB-CZ2 4.26Å; I42-W47 HydrophobicContact CD1-CH2 4.25Å; I42-W47 HydrophobicContact CD1-CZ2 3.69Å; I42-W47 HydrophobicContact CG2-CD2 4.04Å; I42-W47 HydrophobicContact CG2-CG 4.14Å; I42-W47 HydrophobicContact CG2-CZ2 4.13Å; I42-W47 VanDerWaalsContact CG2-NE1 3.34Å; S43-W47 PolarHBondContact O-N 3.33Å; L44-W47 WeakPolarHBondContact O-CB 3.37Å; L44-W47 PolarHBondContact O-N 2.78Å; W47-L50 HydrophobicContact CE3-CD1 4.27Å; W47-L50 HydrophobicContact CZ3-CD1 4.31Å; W47-L50 PolarHBondContact O-N 3.44Å; W47-T51 PolarHBondContact O-N 2.89Å; W47-T51 PolarHBondContact O-OG1 3.33Å; W47-T51 VanDerWaalsContact O-OG1 3.08Å; W47-F75 HydrophobicContact CE3-CE1 4.33Å; W47-A114 HydrophobicContact CZ3-CB 4.36Å; W47-V118 HydrophobicContact CH2-CB 4.34Å; W47-V118 HydrophobicContact CH2-CG1 3.4Å; W47-V118 VanDerWaalsContact CH2-CG1 3.4Å; W47-V118 HydrophobicContact CH2-CG2 4.02Å; W47-V118 HydrophobicContact CZ2-CG1 4.08Å; W47-V118 HydrophobicContact CZ2-CG2 4.19Å; W47-V118 HydrophobicContact CZ3-CG1 4.24Å; W47-I124 HydrophobicContact CE3-CD1 4.36Å; W47-W127 HydrophobicContact CZ3-CH2 4.34Å
48M98.7Very high98.5Very high0 Ų042.1 Ų42.10%022%0.216CC..Hα-helixtrans-60.5-48.4175.4-71.3-60.8-60.800111.6R24 W27 A28 L44 A45 L50 T51 Y52 Y57 Y142 L143R24-M48 HydrophobicContact CG-CE 3.78Å; R24-M48 WeakPolarHBondContact O-CE 3.39Å; W27-M48 HydrophobicContact CB-CE 4.13Å; W27-M48 HydrophobicContact CB-SD 4.29Å; W27-M48 HydrophobicContact CG-CE 4.25Å; W27-M48 HydrophobicContact CG-SD 3.96Å; A28-M48 WeakPolarHBondContact CA-SD 3.32Å; A28-M48 HydrophobicContact CB-CE 3.92Å; A28-M48 HydrophobicContact CB-CG 4.21Å; A28-M48 HydrophobicContact CB-SD 3.66Å; A28-M48 PolarHBondContact N-SD 3.2Å; L44-M48 WeakPolarHBondContact O-CG 3.07Å; L44-M48 PolarHBondContact O-N 3.29Å; A45-M48 PolarHBondContact O-N 3.44Å; M48-L50 VanDerWaalsContact C-N 3.34Å; M48-L50 PolarHBondContact O-N 2.81Å; M48-T51 PolarHBondContact O-N 3.22Å; M48-T51 PolarHBondContact O-OG1 2.84Å; M48-T51 VanDerWaalsContact O-OG1 3.1Å; M48-Y52 PolarHBondContact O-N 2.97Å; M48-Y57 HydrophobicContact CE-CE1 3.78Å; M48-Y57 WeakPolarHBondContact O-CE1 3.31Å; M48-Y142 HydrophobicContact CB-CG 4.31Å; M48-L143 HydrophobicContact CG-CD2 3.67Å
49C98.9Very high98.5Very high0 Ų040.2 Ų40.20%020%0.196CC..Hα-helixtrans-58.2-46.2176.9-175.50000112A45 N46 Y52 W53 C134 V139 Y142A45-C49 WeakPolarHBondContact O-CB 3.34Å; A45-C49 PolarHBondContact O-N 3.05Å; N46-C49 PolarHBondContact O-N 2.89Å; C49-Y52 PolarHBondContact O-N 3.46Å; C49-W53 VanDerWaalsContact O-CD1 3.25Å; C49-W53 PolarHBondContact O-N 3.03Å; C49-W53 VanDerWaalsContact O-N 3.15Å; C49-C134 HydrophobicContact CB-CB 3.81Å; C49-C134 WeakPolarHBondContact CB-SG 3.33Å; C49-C134 WeakPolarHBondContact SG-CA 3.05Å; C49-C134 WeakPolarHBondContact SG-CB 3.29Å; C49-C134 CovalentContact SG-SG 2.02Å; C49-C134 PolarHBondContact SG-SG 3.34Å; C49-V139 HydrophobicContact CB-CB 4.31Å; C49-V139 HydrophobicContact CB-CG1 3.81Å; C49-Y142 HydrophobicContact CB-CD2 3.61Å; C49-Y142 HydrophobicContact CB-CE1 4.4Å; C49-Y142 HydrophobicContact CB-CE2 3.46Å; C49-Y142 VanDerWaalsContact CB-CE2 3.46Å; C49-Y142 HydrophobicContact CB-CG 4.18Å; C49-Y142 WeakPolarHBondContact SG-CE2 3.43Å
50L98.8Very high98.5Very high0 Ų040.2 Ų40.20%020%0.201CC..Hα-helixtrans-55.1-57.3177.1179.1162000111N46 W47 M48 Y52 W53 E54 F75 I124 W127 W130N46-L50 WeakPolarHBondContact O-CB 3.34Å; N46-L50 PolarHBondContact O-N 3.14Å; W47-L50 HydrophobicContact CE3-CD1 4.27Å; W47-L50 HydrophobicContact CZ3-CD1 4.31Å; W47-L50 PolarHBondContact O-N 3.44Å; M48-L50 VanDerWaalsContact C-N 3.34Å; M48-L50 PolarHBondContact O-N 2.81Å; L50-Y52 PolarHBondContact O-N 2.88Å; L50-W53 PolarHBondContact O-N 3.35Å; L50-W53 VanDerWaalsContact O-N 3.13Å; L50-E54 HydrophobicContact CD2-CG 3.94Å; L50-E54 HydrophobicContact CG-CG 4.25Å; L50-E54 WeakPolarHBondContact O-CB 3.41Å; L50-E54 VanDerWaalsContact O-CG 3.26Å; L50-E54 WeakPolarHBondContact O-CG 3.48Å; L50-E54 PolarHBondContact O-N 3.22Å; L50-F75 HydrophobicContact CD2-CD1 4Å; L50-I124 HydrophobicContact CD1-CD1 3.77Å; L50-I124 HydrophobicContact CD1-CG1 3.62Å; L50-W127 HydrophobicContact CD1-CB 3.81Å; L50-W127 HydrophobicContact CD1-CD2 3.63Å; L50-W127 HydrophobicContact CD1-CE3 3.92Å; L50-W127 HydrophobicContact CD1-CG 3.59Å; L50-W127 HydrophobicContact CD2-CG 4.16Å; L50-W127 HydrophobicContact CG-CB 4.06Å; L50-W127 HydrophobicContact CG-CD2 4.43Å; L50-W127 HydrophobicContact CG-CG 3.96Å; L50-W130 HydrophobicContact CB-CB 4.12Å; L50-W130 HydrophobicContact CD1-CB 4.05Å; L50-W130 HydrophobicContact CD1-CG 4.5Å; L50-W130 HydrophobicContact CG-CB 4.08Å
51T98.8Very high98.5Very high0 Ų034.3 Ų34.30%018%0.181CC..Hα-helixtrans-65.2-25.7-176.251.30000113.6W27 W47 M48 S55 G56 Y57 I74 F75W27-T51 HydrophobicContact CZ2-CG2 4.04Å; W27-T51 PolarHBondContact NE1-OG1 3.12Å; W47-T51 PolarHBondContact O-N 2.89Å; W47-T51 PolarHBondContact O-OG1 3.33Å; W47-T51 VanDerWaalsContact O-OG1 3.08Å; M48-T51 PolarHBondContact O-N 3.22Å; M48-T51 PolarHBondContact O-OG1 2.84Å; M48-T51 VanDerWaalsContact O-OG1 3.1Å; T51-S55 PolarHBondContact O-N 3.44Å; T51-S55 VanDerWaalsContact O-N 3.11Å; T51-S55 PolarHBondContact O-OG 3.08Å; T51-G56 PolarHBondContact O-N 3.35Å; T51-Y57 PolarHBondContact O-N 2.99Å; T51-Y57 WeakPolarHBondContact OG1-CD1 3.48Å; T51-Y57 WeakPolarHBondContact OG1-CE1 3.43Å; T51-I74 HydrophobicContact CG2-CG1 4.41Å; T51-F75 HydrophobicContact CG2-CD1 3.46Å; T51-F75 VanDerWaalsContact CG2-CD1 3.46Å; T51-F75 HydrophobicContact CG2-CE1 3.41Å; T51-F75 VanDerWaalsContact CG2-CE1 3.41Å; T51-F75 HydrophobicContact CG2-CG 4.31Å; T51-F75 HydrophobicContact CG2-CZ 4.24Å
52Y98.7Very high98.5Very high108 Ų10829.4 Ų29.442%0.42416%0.157SC..Hα-helixtrans-67.6-47.5172.9-179.2-100.4000111.8M48 C49 L50 G56 Y57 Y142M48-Y52 PolarHBondContact O-N 2.97Å; C49-Y52 PolarHBondContact O-N 3.46Å; L50-Y52 PolarHBondContact O-N 2.88Å; Y52-G56 VanDerWaalsContact O-CA 3.3Å; Y52-G56 WeakPolarHBondContact O-CA 3.43Å; Y52-G56 PolarHBondContact O-N 3.37Å; Y52-Y57 HydrophobicContact CD2-CD2 4.34Å; Y52-Y57 AromaticContact CD2-CE2 3.68Å; Y52-Y57 HydrophobicContact CD2-CE2 3.68Å; Y52-Y57 AromaticContact CD2-CZ 3.82Å; Y52-Y142 AromaticContact CD1-CE1 3.88Å; Y52-Y142 HydrophobicContact CD1-CE1 3.88Å; Y52-Y142 AromaticContact CG-CE1 3.78Å; Y52-Y142 HydrophobicContact CG-CE1 3.78Å
53W98.6Very high98.5Very high109 Ų10932.1 Ų32.141%0.41317%0.172SC..Hα-helixtrans-79.5-21.4-176.6-74.7107.2000114C49 L50 H133 Y142C49-W53 VanDerWaalsContact O-CD1 3.25Å; C49-W53 PolarHBondContact O-N 3.03Å; C49-W53 VanDerWaalsContact O-N 3.15Å; L50-W53 PolarHBondContact O-N 3.35Å; L50-W53 VanDerWaalsContact O-N 3.13Å; W53-H133 HydrophobicContact CB-CB 4.32Å; W53-H133 HydrophobicContact CD2-CB 3.54Å; W53-H133 AromaticContact CD2-CD2 3.64Å; W53-H133 AromaticContact CD2-CG 3.4Å; W53-H133 VanDerWaalsContact CD2-CG 3.4Å; W53-H133 AromaticContact CD2-ND1 3.87Å; W53-H133 VanDerWaalsContact CE2-CB 3.45Å; W53-H133 AromaticContact CE2-CG 3.65Å; W53-H133 AromaticContact CE2-ND1 3.91Å; W53-H133 HydrophobicContact CE3-CB 4.31Å; W53-H133 AromaticContact CE3-CD2 3.63Å; W53-H133 AromaticContact CE3-CE1 3.82Å; W53-H133 AromaticContact CE3-CG 3.67Å; W53-H133 AromaticContact CE3-ND1 3.78Å; W53-H133 AromaticContact CE3-NE2 3.76Å; W53-H133 HydrophobicContact CG-CB 3.5Å; W53-H133 VanDerWaalsContact CG-CB 3.5Å; W53-H133 AromaticContact CG-CD2 3.82Å; W53-H133 AromaticContact CG-CG 3.74Å; W53-H133 AromaticContact CH2-ND1 3.81Å; W53-H133 HydrophobicContact CZ2-CB 4.15Å; W53-H133 AromaticContact CZ2-ND1 3.9Å; W53-H133 AromaticContact CZ3-CE1 3.73Å; W53-H133 AromaticContact CZ3-ND1 3.76Å; W53-H133 VanDerWaalsContact NE1-CB 3.32Å; W53-Y142 PolarHBondContact NE1-OH 2.82Å
54E98.6Very high98.5Very high41 Ų4136.3 Ų36.319%0.19219%0.186CC..Hα-helixtrans-83.2-45.8175.4-67.9-65.3173.900111.6L50 Q76 W127 V128 G129L50-E54 HydrophobicContact CD2-CG 3.94Å; L50-E54 HydrophobicContact CG-CG 4.25Å; L50-E54 WeakPolarHBondContact O-CB 3.41Å; L50-E54 VanDerWaalsContact O-CG 3.26Å; L50-E54 WeakPolarHBondContact O-CG 3.48Å; L50-E54 PolarHBondContact O-N 3.22Å; E54-Q76 HydrophobicContact CB-CB 3.96Å; E54-Q76 HydrophobicContact CB-CG 3.67Å; E54-Q76 HydrophobicContact CG-CB 4.45Å; E54-Q76 WeakPolarHBondContact O-CG 3.25Å; E54-W127 WeakPolarHBondContact OE1-CB 3.5Å; E54-V128 PolarHBondContact OE1-N 2.92Å; E54-G129 VanDerWaalsContact OE1-CA 3.31Å; E54-G129 WeakPolarHBondContact OE1-CA 3.48Å; E54-G129 PolarHBondContact OE1-N 3.34Å
55S98.6Very high98.4Very high17 Ų1738.7 Ų38.712%0.11920%0.199CC..Hα-helixtrans-135.5-4.2-169.9670000115.3T51 Y57 N58 I74T51-S55 PolarHBondContact O-N 3.44Å; T51-S55 VanDerWaalsContact O-N 3.11Å; T51-S55 PolarHBondContact O-OG 3.08Å; S55-Y57 PolarHBondContact O-N 3.34Å; S55-Y57 PolarHBondContact OG-N 3.03Å; S55-N58 VanDerWaalsContact O-CB 3.23Å; S55-N58 WeakPolarHBondContact O-CB 3.24Å; S55-N58 PolarHBondContact O-N 2.95Å; S55-N58 VanDerWaalsContact O-N 3.17Å; S55-N58 PolarHBondContact OG-N 3.2Å; S55-I74 WeakPolarHBondContact CB-O 3.45Å; S55-I74 WeakPolarHBondContact OG-CA 3.07Å; S55-I74 PolarHBondContact OG-O 3.13Å
56G98.3Very high98.3Very high33 Ų3350.5 Ų50.534%0.3424%0.242SC..THydrogen-bonded Turntrans60.730.5-168.700000112.7T51 Y52 N58T51-G56 PolarHBondContact O-N 3.35Å; Y52-G56 VanDerWaalsContact O-CA 3.3Å; Y52-G56 WeakPolarHBondContact O-CA 3.43Å; Y52-G56 PolarHBondContact O-N 3.37Å; G56-N58 VanDerWaalsContact C-N 3.27Å; G56-N58 PolarHBondContact O-N 2.89Å
57Y98.5Very high98.2Very high13 Ų1352.6 Ų52.65%0.05125%0.253CS..THydrogen-bonded Turntrans65.120.5-173.8-43.3-55.8000115.6F22 R24 W27 M48 T51 Y52 S55 Y142F22-Y57 PolarHBondContact N-O 2.88Å; R24-Y57 HydrophobicContact CB-CE2 4Å; R24-Y57 HydrophobicContact CG-CE2 4.24Å; W27-Y57 AromaticContact CD1-CD1 3.35Å; W27-Y57 AromaticContact CD1-CE1 3.58Å; W27-Y57 HydrophobicContact CG-CD1 4.15Å; W27-Y57 AromaticContact NE1-CD1 3.9Å; M48-Y57 HydrophobicContact CE-CE1 3.78Å; M48-Y57 WeakPolarHBondContact O-CE1 3.31Å; T51-Y57 PolarHBondContact O-N 2.99Å; T51-Y57 WeakPolarHBondContact OG1-CD1 3.48Å; T51-Y57 WeakPolarHBondContact OG1-CE1 3.43Å; Y52-Y57 HydrophobicContact CD2-CD2 4.34Å; Y52-Y57 AromaticContact CD2-CE2 3.68Å; Y52-Y57 HydrophobicContact CD2-CE2 3.68Å; Y52-Y57 AromaticContact CD2-CZ 3.82Å; S55-Y57 PolarHBondContact O-N 3.34Å; S55-Y57 PolarHBondContact OG-N 3.03Å; Y57-Y142 WeakPolarHBondContact OH-CD1 3.38Å
58N98.3Very high98.1Very high49 Ų4960.4 Ų60.426%0.26229%0.286SS..BIsolated β-bridgetrans-88.5120178.5-176.32.5000111.5V21 S55 G56 L60 A61 I74V21-N58 HydrophobicContact CG2-CB 3.93Å; S55-N58 VanDerWaalsContact O-CB 3.23Å; S55-N58 WeakPolarHBondContact O-CB 3.24Å; S55-N58 PolarHBondContact O-N 2.95Å; S55-N58 VanDerWaalsContact O-N 3.17Å; S55-N58 PolarHBondContact OG-N 3.2Å; G56-N58 VanDerWaalsContact C-N 3.27Å; G56-N58 PolarHBondContact O-N 2.89Å; N58-L60 VanDerWaalsContact C-N 3.25Å; N58-L60 PolarHBondContact O-N 3.13Å; N58-L60 PolarHBondContact OD1-N 2.87Å; N58-A61 HydrophobicContact CB-CB 4.2Å; N58-A61 WeakPolarHBondContact O-CB 3.47Å; N58-A61 PolarHBondContact O-N 3.22Å; N58-I74 WeakPolarHBondContact O-CA 3.43Å; N58-I74 PolarHBondContact O-N 2.89Å
59T98.1Very high98.1Very high1 Ų160.5 Ų60.51%0.00629%0.287CS..THydrogen-bonded Turntrans-72.4-16.8177.161.90000113.8R20 F22 G73 I74 S104 V107R20-T59 HydrophobicContact CG-CG2 3.84Å; R20-T59 PolarHBondContact N-OG1 3.28Å; R20-T59 PolarHBondContact O-N 2.66Å; R20-T59 PolarHBondContact O-OG1 3.23Å; F22-T59 HydrophobicContact CD2-CG2 4.08Å; F22-T59 HydrophobicContact CE2-CG2 3.61Å; T59-G73 WeakPolarHBondContact O-CA 3.24Å; T59-I74 HydrophobicContact CG2-CB 4.27Å; T59-I74 HydrophobicContact CG2-CD1 4.19Å; T59-S104 VanDerWaalsContact CB-O 3.31Å; T59-S104 WeakPolarHBondContact CB-O 3.43Å; T59-V107 HydrophobicContact CG2-CG1 3.89Å
60L97.6Very high98.1Very high67 Ų6760.6 Ų60.635%0.35129%0.288SS..THydrogen-bonded Turntrans-100.613.3176.4-58.7-174.9000113.4V17 N58 V62 L103V17-L60 HydrophobicContact CG1-CD2 3.93Å; N58-L60 VanDerWaalsContact C-N 3.25Å; N58-L60 PolarHBondContact O-N 3.13Å; N58-L60 PolarHBondContact OD1-N 2.87Å; L60-V62 PolarHBondContact O-N 2.82Å; L60-L103 HydrophobicContact CD2-CB 3.98Å
61A98.1Very high98.1Very high14 Ų1461.5 Ų61.512%0.11629%0.293CS..  trans-64.9128.2178.100000110.9N58 G73 Q76N58-A61 HydrophobicContact CB-CB 4.2Å; N58-A61 WeakPolarHBondContact O-CB 3.47Å; N58-A61 PolarHBondContact O-N 3.22Å; A61-G73 PolarHBondContact O-N 3.26Å; A61-Q76 PolarHBondContact O-NE2 3.5Å
62V98.2Very high98.1Very high62 Ų6261.7 Ų61.738%0.37629%0.293SS..EExtended strand (participates in β ladder)trans-131.4128.6176.5179.30000108.8L60 T70 D71 Y72 L103L60-V62 PolarHBondContact O-N 2.82Å; V62-T70 HydrophobicContact CG1-CG2 3.44Å; V62-T70 VanDerWaalsContact CG1-CG2 3.44Å; V62-D71 WeakPolarHBondContact CA-O 3.44Å; V62-Y72 HydrophobicContact CG2-CD1 4.41Å; V62-L103 HydrophobicContact CG2-CD1 3.79Å; V62-L103 HydrophobicContact CG2-CD2 3.95Å
63N98.3Very high98.1Very high72 Ų7256.5 Ų56.539%0.38527%0.273SS..EExtended strand (participates in β ladder)trans-127.4124.8177173.662.1000110.8N65 T70 D71 Q76N63-N65 PolarHBondContact ND2-OD1 3.07Å; N63-T70 CarbonylContact O-C 3.54Å; N63-T70 WeakPolarHBondContact O-CA 3.35Å; N63-T70 WeakPolarHBondContact O-CG2 3.37Å; N63-D71 HydrophobicContact CB-CB 4.27Å; N63-D71 PolarHBondContact N-O 3.02Å; N63-D71 PolarHBondContact ND2-OD2 3.02Å; N63-D71 PolarHBondContact O-N 2.69Å; N63-Q76 VanDerWaalsContact CB-OE1 3.23Å
64H97.9Very high98.1Very high131 Ų13151.4 Ų51.461%0.60625%0.254SS*.EExtended strand (participates in β ladder)trans-94.1124.2179.3-62.4-63000111.3T70H64-T70 WeakPolarHBondContact ND1-CG2 3.49Å; H64-T70 PolarHBondContact ND1-OG1 3.39Å
65N97.7Very high98.1Very high53 Ų5349.5 Ų49.528%0.28325%0.245SC..  trans-91.6157.5-178.4-67-58.9000112.4N63 D67 K68 S69 D71 N78N63-N65 PolarHBondContact ND2-OD1 3.07Å; N65-D67 WeakPolarHBondContact CB-OD1 3.38Å; N65-D67 PolarHBondContact O-N 3.18Å; N65-K68 PolarHBondContact O-N 3.23Å; N65-S69 VanDerWaalsContact CB-O 3.32Å; N65-S69 WeakPolarHBondContact CB-O 3.08Å; N65-S69 PolarHBondContact N-O 2.95Å; N65-S69 PolarHBondContact ND2-OG 3Å; N65-D71 VanDerWaalsContact ND2-CG 3.28Å; N65-D71 PolarHBondContact ND2-OD1 2.89Å; N65-D71 PolarHBondContact ND2-OD2 3.45Å; N65-N78 PolarHBondContact ND2-ND2 3.47Å
66R96.8Very high98.1Very high258 Ų25849.4 Ų49.497%0.97424%0.243SC*.THydrogen-bonded Turntrans-62.8-26.8178.3-65-177.2-178.6-1790.3113.5K68R66-K68 PolarHBondContact O-N 2.98Å
67D95.9Very high98.1Very high76 Ų7648 Ų4841%0.40623%0.227SC..THydrogen-bonded Turntrans-82.811.2176.880.1-22.4000113.2N65 S69 R80N65-D67 WeakPolarHBondContact CB-OD1 3.38Å; N65-D67 PolarHBondContact O-N 3.18Å; D67-S69 PolarHBondContact O-N 3.2Å; D67-S69 WeakPolarHBondContact OD1-CB 3.43Å; D67-S69 PolarHBondContact OD1-N 3.5Å; D67-S69 VanDerWaalsContact OD1-N 3.14Å; D67-S69 PolarHBondContact OD1-OG 3.32Å; D67-R80 IonicContact OD2-CZ 2.69Å; D67-R80 IonicContact OD2-NE 3.63Å; D67-R80 PolarHBondContact OD2-NE 3.3Å; D67-R80 IonicContact OD2-NH2 3.52Å; D67-R80 PolarHBondContact OD2-NH2 3Å
68K97.3Very high98.1Very high164 Ų16448.5 Ų48.571%0.71323%0.231SC*.SBendtrans71.6-0.7-178.7-49.4176.6179.2-178.70115.1N65 R66 I88N65-K68 PolarHBondContact O-N 3.23Å; R66-K68 PolarHBondContact O-N 2.98Å; K68-I88 HydrophobicContact CB-CG2 4.13Å; K68-I88 WeakPolarHBondContact O-CG2 3.41Å
69S98.4Very high98.2Very high2 Ų246.2 Ų46.21%0.01422%0.219CC..  trans-72.2160.3166.969.60000110.8N65 D67 N78N65-S69 VanDerWaalsContact CB-O 3.32Å; N65-S69 WeakPolarHBondContact CB-O 3.08Å; N65-S69 PolarHBondContact N-O 2.95Å; N65-S69 PolarHBondContact ND2-OG 3Å; D67-S69 PolarHBondContact O-N 3.2Å; D67-S69 WeakPolarHBondContact OD1-CB 3.43Å; D67-S69 PolarHBondContact OD1-N 3.5Å; D67-S69 VanDerWaalsContact OD1-N 3.14Å; D67-S69 PolarHBondContact OD1-OG 3.32Å; S69-N78 PolarHBondContact OG-ND2 3.1Å
70T98.8Very high98.2Very high2 Ų250.9 Ų50.91%0.01224%0.236CC..EExtended strand (participates in β ladder)trans-129.7141.2178.5-59.20000109.2V62 N63 H64 Y72 N78 S79V62-T70 HydrophobicContact CG1-CG2 3.44Å; V62-T70 VanDerWaalsContact CG1-CG2 3.44Å; N63-T70 CarbonylContact O-C 3.54Å; N63-T70 WeakPolarHBondContact O-CA 3.35Å; N63-T70 WeakPolarHBondContact O-CG2 3.37Å; H64-T70 WeakPolarHBondContact ND1-CG2 3.49Å; H64-T70 PolarHBondContact ND1-OG1 3.39Å; T70-Y72 VanDerWaalsContact CB-CE2 3.42Å; T70-Y72 HydrophobicContact CG2-CD2 4.15Å; T70-Y72 HydrophobicContact CG2-CE1 4.03Å; T70-Y72 HydrophobicContact CG2-CE2 3.5Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.43Å; T70-Y72 VanDerWaalsContact O-CD2 3.3Å; T70-Y72 WeakPolarHBondContact O-CD2 2.98Å; T70-Y72 VanDerWaalsContact O-CE2 3.29Å; T70-Y72 WeakPolarHBondContact O-CE2 3.19Å; T70-N78 WeakPolarHBondContact O-CA 3.37Å; T70-S79 PolarHBondContact N-OG 2.89Å; T70-S79 PolarHBondContact O-N 2.04Å; T70-S79 PolarHBondContact O-OG 3.27Å
71D98.8Very high98.2Very high20 Ų2054 Ų5411%0.10724%0.244CC..EExtended strand (participates in β ladder)trans-98.9133.3175-52.5-48.3000110V62 N63 N65 Q76 N78V62-D71 WeakPolarHBondContact CA-O 3.44Å; N63-D71 HydrophobicContact CB-CB 4.27Å; N63-D71 PolarHBondContact N-O 3.02Å; N63-D71 PolarHBondContact ND2-OD2 3.02Å; N63-D71 PolarHBondContact O-N 2.69Å; N65-D71 VanDerWaalsContact ND2-CG 3.28Å; N65-D71 PolarHBondContact ND2-OD1 2.89Å; N65-D71 PolarHBondContact ND2-OD2 3.45Å; D71-Q76 HydrophobicContact CB-CB 3.85Å; D71-Q76 HydrophobicContact CB-CG 4.46Å; D71-N78 WeakPolarHBondContact OD1-CA 3.05Å; D71-N78 WeakPolarHBondContact OD1-CB 3.09Å; D71-N78 PolarHBondContact OD1-ND2 3.17Å
72Y98.8Very high98.3Very high3 Ų355.1 Ų55.11%0.01224%0.244CC..EExtended strand (participates in β ladder)trans-120.6136.9-170.2-66.6-94.5000113.3V62 T70 Q76 I77 D85 C98 E99 L103V62-Y72 HydrophobicContact CG2-CD1 4.41Å; T70-Y72 VanDerWaalsContact CB-CE2 3.42Å; T70-Y72 HydrophobicContact CG2-CD2 4.15Å; T70-Y72 HydrophobicContact CG2-CE1 4.03Å; T70-Y72 HydrophobicContact CG2-CE2 3.5Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.43Å; T70-Y72 VanDerWaalsContact O-CD2 3.3Å; T70-Y72 WeakPolarHBondContact O-CD2 2.98Å; T70-Y72 VanDerWaalsContact O-CE2 3.29Å; T70-Y72 WeakPolarHBondContact O-CE2 3.19Å; Y72-Q76 WeakPolarHBondContact O-CA 3.29Å; Y72-Q76 PolarHBondContact O-N 2.88Å; Y72-I77 PolarHBondContact N-O 3.15Å; Y72-I77 PolarHBondContact O-N 3.25Å; Y72-D85 HydrophobicContact CE2-CB 4.25Å; Y72-D85 WeakPolarHBondContact OH-CB 3.46Å; Y72-C98 HydrophobicContact CD1-CB 3.94Å; Y72-C98 HydrophobicContact CD2-CB 3.67Å; Y72-C98 HydrophobicContact CE1-CB 3.95Å; Y72-C98 HydrophobicContact CE2-CB 3.67Å; Y72-C98 HydrophobicContact CG-CB 3.81Å; Y72-E99 HydrophobicContact CD1-CG 4.25Å; Y72-E99 HydrophobicContact CE1-CG 3.98Å; Y72-E99 WeakPolarHBondContact CE1-OE1 3.39Å; Y72-L103 HydrophobicContact CD1-CD1 4.16Å; Y72-L103 HydrophobicContact CD1-CD2 4.12Å; Y72-L103 HydrophobicContact CD1-CG 4.12Å
73G98.4Very high98.3Very high0 Ų052.1 Ų52.10%023%0.227CC..THydrogen-bonded Turntrans71.2-165.4164.100000114.8T59 A61 F75 Q76 L102T59-G73 WeakPolarHBondContact O-CA 3.24Å; A61-G73 PolarHBondContact O-N 3.26Å; G73-F75 PolarHBondContact O-N 3.23Å; G73-F75 VanDerWaalsContact O-N 3.08Å; G73-Q76 PolarHBondContact O-N 3.12Å; G73-Q76 PolarHBondContact O-NE2 3.4Å; G73-L102 WeakPolarHBondContact CA-O 3.42Å
74I98.7Very high98.3Very high1 Ų150.8 Ų50.81%0.00522%0.219CC..THydrogen-bonded Turntrans-62-25.3-169.2-163.1163.1000113.8F22 W27 T51 S55 N58 T59F22-I74 HydrophobicContact CD2-CD1 3.76Å; F22-I74 HydrophobicContact CE2-CD1 4.08Å; W27-I74 HydrophobicContact CD2-CD1 3.88Å; W27-I74 HydrophobicContact CE3-CD1 3.99Å; W27-I74 HydrophobicContact CH2-CD1 3.84Å; W27-I74 HydrophobicContact CH2-CG2 4.09Å; W27-I74 HydrophobicContact CZ2-CD1 3.67Å; W27-I74 HydrophobicContact CZ2-CG1 4.17Å; W27-I74 HydrophobicContact CZ2-CG2 4.15Å; W27-I74 HydrophobicContact CZ3-CD1 3.98Å; T51-I74 HydrophobicContact CG2-CG1 4.41Å; S55-I74 WeakPolarHBondContact CB-O 3.45Å; S55-I74 WeakPolarHBondContact OG-CA 3.07Å; S55-I74 PolarHBondContact OG-O 3.13Å; N58-I74 WeakPolarHBondContact O-CA 3.43Å; N58-I74 PolarHBondContact O-N 2.89Å; T59-I74 HydrophobicContact CG2-CB 4.27Å; T59-I74 HydrophobicContact CG2-CD1 4.19Å
75F98.8Very high98.3Very high1 Ų145.1 Ų45.10%0.00419%0.193CC..THydrogen-bonded Turntrans-100.3-0.6176.8-64.3-76.3000113.6W27 M31 M36 W47 L50 T51 G73 I77 A110 I111 A114 W127W27-F75 HydrophobicContact CH2-CE2 4.23Å; W27-F75 HydrophobicContact CH2-CZ 4.02Å; W27-F75 HydrophobicContact CZ2-CE1 4.24Å; W27-F75 HydrophobicContact CZ2-CE2 4.21Å; W27-F75 AromaticContact CZ2-CZ 3.67Å; W27-F75 HydrophobicContact CZ2-CZ 3.67Å; M31-F75 HydrophobicContact CE-CE1 3.72Å; M31-F75 HydrophobicContact CE-CZ 3.7Å; M31-F75 HydrophobicContact SD-CE1 4.4Å; M31-F75 HydrophobicContact SD-CZ 3.8Å; M36-F75 HydrophobicContact CE-CZ 4.49Å; W47-F75 HydrophobicContact CE3-CE1 4.33Å; L50-F75 HydrophobicContact CD2-CD1 4Å; T51-F75 HydrophobicContact CG2-CD1 3.46Å; T51-F75 VanDerWaalsContact CG2-CD1 3.46Å; T51-F75 HydrophobicContact CG2-CE1 3.41Å; T51-F75 VanDerWaalsContact CG2-CE1 3.41Å; T51-F75 HydrophobicContact CG2-CG 4.31Å; T51-F75 HydrophobicContact CG2-CZ 4.24Å; G73-F75 PolarHBondContact O-N 3.23Å; G73-F75 VanDerWaalsContact O-N 3.08Å; F75-I77 VanDerWaalsContact C-N 3.35Å; F75-I77 HydrophobicContact CB-CD1 3.99Å; F75-I77 HydrophobicContact CB-CG1 3.89Å; F75-I77 HydrophobicContact CD2-CD1 4.48Å; F75-I77 PolarHBondContact O-N 3Å; F75-A110 HydrophobicContact CD2-CB 3.9Å; F75-A110 HydrophobicContact CE2-CB 4.11Å; F75-I111 HydrophobicContact CE2-CB 4.5Å; F75-I111 HydrophobicContact CE2-CG1 3.81Å; F75-I111 HydrophobicContact CZ-CG1 3.91Å; F75-A114 HydrophobicContact CD1-CB 4.02Å; F75-A114 HydrophobicContact CD2-CB 4.11Å; F75-A114 HydrophobicContact CE1-CB 4.14Å; F75-A114 HydrophobicContact CE2-CB 4.24Å; F75-A114 HydrophobicContact CG-CB 4.02Å; F75-A114 HydrophobicContact CZ-CB 4.25Å; F75-W127 VanDerWaalsContact O-CD1 3.28Å; F75-W127 PolarHBondContact O-NE1 2.79Å
76Q98.8Very high98.3Very high16 Ų1648 Ų488%0.07521%0.213CC..THydrogen-bonded Turntrans4954.3-174-67.3-64.1-8600112.3E54 A61 N63 D71 Y72 G73 N78E54-Q76 HydrophobicContact CB-CB 3.96Å; E54-Q76 HydrophobicContact CB-CG 3.67Å; E54-Q76 HydrophobicContact CG-CB 4.45Å; E54-Q76 WeakPolarHBondContact O-CG 3.25Å; A61-Q76 PolarHBondContact O-NE2 3.5Å; N63-Q76 VanDerWaalsContact CB-OE1 3.23Å; D71-Q76 HydrophobicContact CB-CB 3.85Å; D71-Q76 HydrophobicContact CB-CG 4.46Å; Y72-Q76 WeakPolarHBondContact O-CA 3.29Å; Y72-Q76 PolarHBondContact O-N 2.88Å; G73-Q76 PolarHBondContact O-N 3.12Å; G73-Q76 PolarHBondContact O-NE2 3.4Å; Q76-N78 PolarHBondContact O-N 3.03Å
77I98.8Very high98.2Very high3 Ų341.9 Ų41.92%0.01520%0.196CC..EExtended strand (participates in β ladder)trans-75.3121.3-179.8-72.5159.7000109.1Y72 F75 W82 L102 C113Y72-I77 PolarHBondContact N-O 3.15Å; Y72-I77 PolarHBondContact O-N 3.25Å; F75-I77 VanDerWaalsContact C-N 3.35Å; F75-I77 HydrophobicContact CB-CD1 3.99Å; F75-I77 HydrophobicContact CB-CG1 3.89Å; F75-I77 HydrophobicContact CD2-CD1 4.48Å; F75-I77 PolarHBondContact O-N 3Å; I77-W82 HydrophobicContact CG2-CB 3.35Å; I77-W82 HydrophobicContact CG2-CG 4.01Å; I77-L102 HydrophobicContact CB-CD1 3.88Å; I77-L102 HydrophobicContact CD1-CD1 4.43Å; I77-L102 HydrophobicContact CD1-CD2 3.84Å; I77-L102 HydrophobicContact CG2-CD1 3.77Å; I77-C113 HydrophobicContact CD1-CB 3.91Å
78N98.8Very high98.3Very high24 Ų2440 Ų4013%0.12819%0.185CC..EExtended strand (participates in β ladder)trans-78.1132.3-173.4-174.4-92.9000113.8N65 S69 T70 D71 Q76 R80 W81 W82N65-N78 PolarHBondContact ND2-ND2 3.47Å; S69-N78 PolarHBondContact OG-ND2 3.1Å; T70-N78 WeakPolarHBondContact O-CA 3.37Å; D71-N78 WeakPolarHBondContact OD1-CA 3.05Å; D71-N78 WeakPolarHBondContact OD1-CB 3.09Å; D71-N78 PolarHBondContact OD1-ND2 3.17Å; Q76-N78 PolarHBondContact O-N 3.03Å; N78-R80 VanDerWaalsContact C-N 3.29Å; N78-R80 PolarHBondContact O-N 2.97Å; N78-R80 WeakPolarHBondContact OD1-CA 3.39Å; N78-R80 WeakPolarHBondContact OD1-CB 3.22Å; N78-R80 PolarHBondContact OD1-N 3.08Å; N78-W81 PolarHBondContact O-N 2.93Å; N78-W82 PolarHBondContact O-N 3.21Å; N78-W82 VanDerWaalsContact O-N 3.08Å
79S98.7Very high98.3Very high0 Ų043.4 Ų43.40%019%0.194CC..THydrogen-bonded Turntrans-70-15.7-179.564.10000115.4T70 W81 D85 T90 C98T70-S79 PolarHBondContact N-OG 2.89Å; T70-S79 PolarHBondContact O-N 2.04Å; T70-S79 PolarHBondContact O-OG 3.27Å; S79-W81 VanDerWaalsContact C-N 3.25Å; S79-W81 PolarHBondContact O-N 3.13Å; S79-D85 WeakPolarHBondContact CB-OD2 3.44Å; S79-D85 PolarHBondContact OG-OD2 2.02Å; S79-T90 WeakPolarHBondContact O-CB 3.26Å; S79-T90 PolarHBondContact O-OG1 3.04Å; S79-C98 VanDerWaalsContact CB-SG 3.59Å
80R98.6Very high98.3Very high100 Ų10044.9 Ų44.938%0.37720%0.202SC..THydrogen-bonded Turntrans-69.2-29.2175.9-165.512991.378.6-7.6112.3D67 N78 I88 T90 A91D67-R80 IonicContact OD2-CZ 2.69Å; D67-R80 IonicContact OD2-NE 3.63Å; D67-R80 PolarHBondContact OD2-NE 3.3Å; D67-R80 IonicContact OD2-NH2 3.52Å; D67-R80 PolarHBondContact OD2-NH2 3Å; N78-R80 VanDerWaalsContact C-N 3.29Å; N78-R80 PolarHBondContact O-N 2.97Å; N78-R80 WeakPolarHBondContact OD1-CA 3.39Å; N78-R80 WeakPolarHBondContact OD1-CB 3.22Å; N78-R80 PolarHBondContact OD1-N 3.08Å; R80-I88 HydrophobicContact CB-CD1 3.97Å; R80-I88 HydrophobicContact CG-CD1 4.3Å; R80-T90 WeakPolarHBondContact O-CA 3.25Å; R80-T90 PolarHBondContact O-OG1 3.21Å; R80-A91 PolarHBondContact O-N 3.48Å; R80-A91 VanDerWaalsContact O-N 3.08Å
81W98.6Very high98.2Very high133 Ų13348 Ų4850%0.50423%0.229SC..THydrogen-bonded Turntrans-116.5-38.5-168.1-56.9110.4000113.3N78 S79 A91 N92 G93N78-W81 PolarHBondContact O-N 2.93Å; S79-W81 VanDerWaalsContact C-N 3.25Å; S79-W81 PolarHBondContact O-N 3.13Å; W81-A91 HydrophobicContact CE3-CB 4.44Å; W81-N92 PolarHBondContact O-N 3.47Å; W81-G93 PolarHBondContact O-N 3.06Å
82W98.8Very high98.2Very high36 Ų3648.6 Ų48.614%0.13623%0.232CC..THydrogen-bonded Turntrans-115.5-35.2-158-58.7115.8000114.7I77 N78 N92 G93 C94 V117 D120I77-W82 HydrophobicContact CG2-CB 3.35Å; I77-W82 HydrophobicContact CG2-CG 4.01Å; N78-W82 PolarHBondContact O-N 3.21Å; N78-W82 VanDerWaalsContact O-N 3.08Å; W82-N92 CarbonylContact O-C 3.48Å; W82-N92 PolarHBondContact O-OD1 3.32Å; W82-G93 PolarHBondContact O-N 3.1Å; W82-C94 VanDerWaalsContact O-CB 3.22Å; W82-C94 WeakPolarHBondContact O-CB 3.02Å; W82-C94 PolarHBondContact O-N 3.27Å; W82-V117 HydrophobicContact CD2-CG2 3.54Å; W82-V117 HydrophobicContact CE3-CG2 3.76Å; W82-V117 HydrophobicContact CG-CG2 4.01Å; W82-V117 HydrophobicContact CH2-CB 4.22Å; W82-V117 HydrophobicContact CH2-CG1 4.15Å; W82-V117 HydrophobicContact CH2-CG2 4.16Å; W82-V117 HydrophobicContact CZ2-CB 4.14Å; W82-V117 HydrophobicContact CZ2-CG1 3.69Å; W82-V117 HydrophobicContact CZ2-CG2 3.96Å; W82-V117 HydrophobicContact CZ3-CB 4.45Å; W82-V117 HydrophobicContact CZ3-CG2 4.06Å; W82-D120 WeakPolarHBondContact CH2-OD2 3.3Å
83C98.8Very high98.2Very high0 Ų049.2 Ų49.20%024%0.239CC..  trans-132.4166.918063.10000111T90 N92 I96 C98 L102C83-T90 WeakPolarHBondContact O-CB 3.4Å; C83-T90 PolarHBondContact O-OG1 3.08Å; C83-N92 WeakPolarHBondContact CA-OD1 3.41Å; C83-I96 HydrophobicContact CB-CD1 4.32Å; C83-I96 HydrophobicContact CB-CG1 3.89Å; C83-C98 HydrophobicContact CB-CB 3.94Å; C83-C98 WeakPolarHBondContact CB-SG 3.31Å; C83-C98 VanDerWaalsContact SG-CA 3.58Å; C83-C98 WeakPolarHBondContact SG-CB 3.38Å; C83-C98 CovalentContact SG-SG 2.03Å; C83-C98 PolarHBondContact SG-SG 3.03Å; C83-L102 HydrophobicContact CB-CD1 3.84Å; C83-L102 VanDerWaalsContact SG-CD1 3.51Å
84N98.6Very high98.2Very high43 Ų4350.3 Ų50.323%0.2325%0.246CC..BIsolated β-bridgetrans-105.1118.6176.2-174.54.9000111.4T86 T90 I96 M97 C98N84-T86 PolarHBondContact OD1-N 2.96Å; N84-T90 HydrophobicContact CB-CG2 3.85Å; N84-I96 PolarHBondContact N-O 2.83Å; N84-M97 HydrophobicContact CB-SD 3.74Å; N84-M97 CarbonylContact O-C 3.52Å; N84-M97 VanDerWaalsContact O-CA 3.26Å; N84-M97 WeakPolarHBondContact O-CA 3.5Å; N84-C98 PolarHBondContact O-N 3.03Å
85D97.8Very high98.2Very high12 Ų1257.8 Ų57.86%0.06428%0.281CS..  trans-100.80.6176.261.811000113.1Y72 S79 Q87 I88 C98Y72-D85 HydrophobicContact CE2-CB 4.25Å; Y72-D85 WeakPolarHBondContact OH-CB 3.46Å; S79-D85 WeakPolarHBondContact CB-OD2 3.44Å; S79-D85 PolarHBondContact OG-OD2 2.02Å; D85-Q87 PolarHBondContact O-N 3.43Å; D85-Q87 PolarHBondContact OD1-N 3.4Å; D85-I88 PolarHBondContact OD1-N 3.16Å; D85-C98 HydrophobicContact CB-CB 4.17Å
86T97.3Very high98.2Very high115 Ų11559.1 Ų59.171%0.70629%0.288SS*.SBendtrans62.21.1-173.773.50000115.7N84N84-T86 PolarHBondContact OD1-N 2.96Å
87Q95.9Very high98.2Very high129 Ų12962.4 Ų62.460%0.60330%0.304SS*.SBendtrans-95.8-32.9-177.4-64.7179.361.200112.2D85D85-Q87 PolarHBondContact O-N 3.43Å; D85-Q87 PolarHBondContact OD1-N 3.4Å
88I96.6Very high98.1Very high36 Ų3662.2 Ų62.219%0.18530%0.304CS..SBendtrans-130.2162.8179.364.4160.1000112.4K68 R80 D85 T90K68-I88 HydrophobicContact CB-CG2 4.13Å; K68-I88 WeakPolarHBondContact O-CG2 3.41Å; R80-I88 HydrophobicContact CB-CD1 3.97Å; R80-I88 HydrophobicContact CG-CD1 4.3Å; D85-I88 PolarHBondContact OD1-N 3.16Å; I88-T90 PolarHBondContact O-N 3.25Å
89R97.3Very high98Very high236 Ų23666.4 Ų66.489%0.89132%0.322SS*.  trans-70.8124.8168.8-170.7177.573.3170.22.8109.4
90T98Very high97.8Very high32 Ų3269.2 Ų69.220%0.19634%0.34CS..  trans-120.2152.9-176.9179.80000112.2S79 R80 C83 N84 I88 N92S79-T90 WeakPolarHBondContact O-CB 3.26Å; S79-T90 PolarHBondContact O-OG1 3.04Å; R80-T90 WeakPolarHBondContact O-CA 3.25Å; R80-T90 PolarHBondContact O-OG1 3.21Å; C83-T90 WeakPolarHBondContact O-CB 3.4Å; C83-T90 PolarHBondContact O-OG1 3.08Å; N84-T90 HydrophobicContact CB-CG2 3.85Å; I88-T90 PolarHBondContact O-N 3.25Å; T90-N92 VanDerWaalsContact C-N 3.31Å; T90-N92 HydrophobicContact CG2-CB 3.89Å; T90-N92 PolarHBondContact OG1-N 3.28Å
91A98.1Very high97.7Very high69 Ų6967 Ų6757%0.5734%0.335SS*.  trans-75.8-22165.200000112.5R80 W81 G93R80-A91 PolarHBondContact O-N 3.48Å; R80-A91 VanDerWaalsContact O-N 3.08Å; W81-A91 HydrophobicContact CE3-CB 4.44Å; A91-G93 PolarHBondContact O-N 2.73Å
92N98.4Very high97.7Very high32 Ų3260.9 Ų60.917%0.17131%0.311CS..  trans45.951.5-179.4-165.510.8000113.9W81 W82 C83 T90 C94 H95 I96W81-N92 PolarHBondContact O-N 3.47Å; W82-N92 CarbonylContact O-C 3.48Å; W82-N92 PolarHBondContact O-OD1 3.32Å; C83-N92 WeakPolarHBondContact CA-OD1 3.41Å; T90-N92 VanDerWaalsContact C-N 3.31Å; T90-N92 HydrophobicContact CG2-CB 3.89Å; T90-N92 PolarHBondContact OG1-N 3.28Å; N92-C94 PolarHBondContact O-N 3.11Å; N92-C94 VanDerWaalsContact O-N 3.13Å; N92-H95 PolarHBondContact O-N 3.01Å; N92-H95 PolarHBondContact O-ND1 3.4Å; N92-H95 WeakPolarHBondContact OD1-CA 2.97Å; N92-H95 PolarHBondContact OD1-N 3.3Å; N92-H95 VanDerWaalsContact OD1-N 3.17Å; N92-I96 PolarHBondContact OD1-N 3.15Å; N92-I96 VanDerWaalsContact OD1-N 3.1Å; N92-I96 PolarHBondContact OD1-O 3.06Å; N92-I96 VanDerWaalsContact OD1-O 3.1Å
93G98.6Very high97.6Very high16 Ų1659.9 Ų59.917%0.16531%0.309CS..THydrogen-bonded Turntrans-64.4-15-174.100000115.7W81 W82 A91W81-G93 PolarHBondContact O-N 3.06Å; W82-G93 PolarHBondContact O-N 3.1Å; A91-G93 PolarHBondContact O-N 2.73Å
94C98.6Very high97.3Very high22 Ų2261.8 Ų61.815%0.14932%0.322CS..THydrogen-bonded Turntrans-99-6.9172.6-63.40000113.3W82 N92 I96 C113W82-C94 VanDerWaalsContact O-CB 3.22Å; W82-C94 WeakPolarHBondContact O-CB 3.02Å; W82-C94 PolarHBondContact O-N 3.27Å; N92-C94 PolarHBondContact O-N 3.11Å; N92-C94 VanDerWaalsContact O-N 3.13Å; C94-I96 HydrophobicContact CB-CD1 3.99Å; C94-I96 HydrophobicContact CB-CG1 3.91Å; C94-C113 HydrophobicContact CB-CB 3.76Å; C94-C113 WeakPolarHBondContact CB-SG 3.44Å; C94-C113 WeakPolarHBondContact SG-CA 3.46Å; C94-C113 WeakPolarHBondContact SG-CB 3.03Å; C94-C113 CovalentContact SG-SG 2.04Å; C94-C113 PolarHBondContact SG-SG 3.39Å
95H98.4Very high96.8Very high158 Ų15861.8 Ų61.873%0.73132%0.322SS*.  trans56.945.3179.5-54.2-60.2000114.2N92N92-H95 PolarHBondContact O-N 3.01Å; N92-H95 PolarHBondContact O-ND1 3.4Å; N92-H95 WeakPolarHBondContact OD1-CA 2.97Å; N92-H95 PolarHBondContact OD1-N 3.3Å; N92-H95 VanDerWaalsContact OD1-N 3.17Å
96I98.4Very high96.6Very high30 Ų3066.6 Ų66.615%0.15435%0.348CS..SBendtrans-134.6160.5-178.457.4176.3000110.4C83 N84 N92 C94 L102 V109 C113C83-I96 HydrophobicContact CB-CD1 4.32Å; C83-I96 HydrophobicContact CB-CG1 3.89Å; N84-I96 PolarHBondContact N-O 2.83Å; N92-I96 PolarHBondContact OD1-N 3.15Å; N92-I96 VanDerWaalsContact OD1-N 3.1Å; N92-I96 PolarHBondContact OD1-O 3.06Å; N92-I96 VanDerWaalsContact OD1-O 3.1Å; C94-I96 HydrophobicContact CB-CD1 3.99Å; C94-I96 HydrophobicContact CB-CG1 3.91Å; I96-L102 HydrophobicContact CD1-CD1 4.3Å; I96-L102 HydrophobicContact CD1-CD2 3.68Å; I96-L102 HydrophobicContact CD1-CG 3.96Å; I96-V109 HydrophobicContact CD1-CG1 3.75Å; I96-V109 HydrophobicContact CG2-CG1 4.01Å; I96-C113 HydrophobicContact CD1-CB 4.22Å
97M98.4Very high96.6Very high84 Ų8461.6 Ų61.641%0.41432%0.317SS..BIsolated β-bridgetrans-76.4153.8160.5-57.2-64.8-169.900109.4N84 E99 E101N84-M97 HydrophobicContact CB-SD 3.74Å; N84-M97 CarbonylContact O-C 3.52Å; N84-M97 VanDerWaalsContact O-CA 3.26Å; N84-M97 WeakPolarHBondContact O-CA 3.5Å; M97-E99 VanDerWaalsContact C-N 3.34Å; M97-E99 WeakPolarHBondContact CB-O 3.37Å; M97-E101 WeakPolarHBondContact CB-OE1 3.38Å; M97-E101 VanDerWaalsContact CB-OE2 3.25Å; M97-E101 WeakPolarHBondContact CB-OE2 3.48Å; M97-E101 PolarHBondContact N-OE1 2.89Å
98C98.3Very high96.7Very high0 Ų056.4 Ų56.40%030%0.299CS..SBendtrans-72.1-36.7175-570000110.3Y72 S79 C83 N84 D85 L102Y72-C98 HydrophobicContact CD1-CB 3.94Å; Y72-C98 HydrophobicContact CD2-CB 3.67Å; Y72-C98 HydrophobicContact CE1-CB 3.95Å; Y72-C98 HydrophobicContact CE2-CB 3.67Å; Y72-C98 HydrophobicContact CG-CB 3.81Å; S79-C98 VanDerWaalsContact CB-SG 3.59Å; C83-C98 HydrophobicContact CB-CB 3.94Å; C83-C98 WeakPolarHBondContact CB-SG 3.31Å; C83-C98 VanDerWaalsContact SG-CA 3.58Å; C83-C98 WeakPolarHBondContact SG-CB 3.38Å; C83-C98 CovalentContact SG-SG 2.03Å; C83-C98 PolarHBondContact SG-SG 3.03Å; N84-C98 PolarHBondContact O-N 3.03Å; D85-C98 HydrophobicContact CB-CB 4.17Å; C98-L102 VanDerWaalsContact O-CB 3.3Å; C98-L102 WeakPolarHBondContact O-CB 3.34Å; C98-L102 PolarHBondContact O-N 3.38Å
99E95.9Very high96.8Very high111 Ų11157.3 Ų57.352%0.51931%0.306SS..THydrogen-bonded Turntrans-121.2136.9173.4-65.6-177.3-162.600110.1Y72 M97 L103Y72-E99 HydrophobicContact CD1-CG 4.25Å; Y72-E99 HydrophobicContact CE1-CG 3.98Å; Y72-E99 WeakPolarHBondContact CE1-OE1 3.39Å; M97-E99 VanDerWaalsContact C-N 3.34Å; M97-E99 WeakPolarHBondContact CB-O 3.37Å; E99-L103 HydrophobicContact CG-CD1 3.63Å; E99-L103 HydrophobicContact CG-CG 4.06Å
100P94.1Very high96.8Very high59 Ų5946.3 Ų46.338%0.38327%0.265SS..THydrogen-bonded Turncis-84-2.7134.4-36.5000115V17 L102 L103V17-P100 HydrophobicContact CG2-CB 4.07Å; P100-L102 PolarHBondContact O-N 3.17Å; P100-L103 CarbonylContact O-C 3.56Å; P100-L103 VanDerWaalsContact O-C 3.31Å; P100-L103 PolarHBondContact O-N 2.96Å; P100-L103 VanDerWaalsContact O-N 3.16Å
101E96.8Very high96.9Very high55 Ų5544.9 Ų44.926%0.25726%0.256SS..THydrogen-bonded Turntrans-67.6-29.3-160.6-63.292.4136.600115.1M97 V109M97-E101 WeakPolarHBondContact CB-OE1 3.38Å; M97-E101 VanDerWaalsContact CB-OE2 3.25Å; M97-E101 WeakPolarHBondContact CB-OE2 3.48Å; M97-E101 PolarHBondContact N-OE1 2.89Å; E101-V109 HydrophobicContact CB-CB 4.43Å; E101-V109 HydrophobicContact CB-CG1 3.88Å
102L98Very high96.9Very high3 Ų345.2 Ų45.22%0.01625%0.254CS..THydrogen-bonded Turntrans-97.2-13.9176.7-60.1177.6000113.1G73 I77 C83 I96 C98 P100 A110G73-L102 WeakPolarHBondContact CA-O 3.42Å; I77-L102 HydrophobicContact CB-CD1 3.88Å; I77-L102 HydrophobicContact CD1-CD1 4.43Å; I77-L102 HydrophobicContact CD1-CD2 3.84Å; I77-L102 HydrophobicContact CG2-CD1 3.77Å; C83-L102 HydrophobicContact CB-CD1 3.84Å; C83-L102 VanDerWaalsContact SG-CD1 3.51Å; I96-L102 HydrophobicContact CD1-CD1 4.3Å; I96-L102 HydrophobicContact CD1-CD2 3.68Å; I96-L102 HydrophobicContact CD1-CG 3.96Å; C98-L102 VanDerWaalsContact O-CB 3.3Å; C98-L102 WeakPolarHBondContact O-CB 3.34Å; C98-L102 PolarHBondContact O-N 3.38Å; P100-L102 PolarHBondContact O-N 3.17Å; L102-A110 HydrophobicContact CD2-CB 4.05Å
103L97.2Very high96.9Very high15 Ų1543.9 Ų43.98%0.07925%0.247CC..SBendtrans-107.871.3176.4-56.3-169000108.7V17 L60 V62 Y72 E99 P100V17-L103 WeakPolarHBondContact CG1-O 3.49Å; L60-L103 HydrophobicContact CD2-CB 3.98Å; V62-L103 HydrophobicContact CG2-CD1 3.79Å; V62-L103 HydrophobicContact CG2-CD2 3.95Å; Y72-L103 HydrophobicContact CD1-CD1 4.16Å; Y72-L103 HydrophobicContact CD1-CD2 4.12Å; Y72-L103 HydrophobicContact CD1-CG 4.12Å; E99-L103 HydrophobicContact CG-CD1 3.63Å; E99-L103 HydrophobicContact CG-CG 4.06Å; P100-L103 CarbonylContact O-C 3.56Å; P100-L103 VanDerWaalsContact O-C 3.31Å; P100-L103 PolarHBondContact O-N 2.96Å; P100-L103 VanDerWaalsContact O-N 3.16Å
104S92.8Very high96.9Very high40 Ų4043.1 Ų43.128%0.2824%0.239SC..SBendtrans-146.9152.2-177.8-1730000111.6T59 D106T59-S104 VanDerWaalsContact CB-O 3.31Å; T59-S104 WeakPolarHBondContact CB-O 3.43Å; S104-D106 PolarHBondContact O-N 3.36Å; S104-D106 PolarHBondContact OG-N 3.4Å
105D88.9Confident96.9Very high44 Ų4444.4 Ų44.424%0.23524%0.243CC..SBendtrans-62.8-29.6165.7-82.4-7.4000113.7D18 G19 R20 V107D18-D105 WeakPolarHBondContact CB-OD2 3.38Å; D18-D105 VanDerWaalsContact O-CG 3.26Å; D18-D105 PolarHBondContact O-N 3.41Å; G19-D105 WeakPolarHBondContact CA-OD1 3.48Å; G19-D105 PolarHBondContact N-OD1 3.17Å; R20-D105 WeakPolarHBondContact CB-OD1 3.09Å; R20-D105 VanDerWaalsContact CD-OD1 3.24Å; R20-D105 WeakPolarHBondContact CD-OD1 3.5Å; R20-D105 WeakPolarHBondContact CG-OD1 3.31Å; R20-D105 PolarHBondContact N-OD1 3.33Å; D105-V107 PolarHBondContact O-N 3.24Å
106D92.6Very high97Very high112 Ų11240.7 Ų40.760%0.59922%0.222SC*.  trans-79.9100.1170.1-173.1-5.6000109.9S104 G108S104-D106 PolarHBondContact O-N 3.36Å; S104-D106 PolarHBondContact OG-N 3.4Å; D106-G108 PolarHBondContact O-N 2.94Å; D106-G108 PolarHBondContact OD1-N 3.43Å
107V96.6Very high97Very high10 Ų1039.4 Ų39.46%0.06122%0.216CC..THydrogen-bonded Turntrans-76.5-1.1-179.3-66.30000113.9F22 W27 T30 T59 D105 V109 A110 I111F22-V107 HydrophobicContact CE2-CG1 3.68Å; F22-V107 HydrophobicContact CZ-CG1 3.75Å; F22-V107 HydrophobicContact CZ-CG2 4.43Å; W27-V107 HydrophobicContact CH2-CB 4.16Å; W27-V107 HydrophobicContact CH2-CG1 4.12Å; W27-V107 HydrophobicContact CH2-CG2 4.33Å; W27-V107 HydrophobicContact CZ3-CB 4.05Å; W27-V107 HydrophobicContact CZ3-CG1 3.82Å; W27-V107 HydrophobicContact CZ3-CG2 3.89Å; T30-V107 HydrophobicContact CG2-CG2 3.79Å; T59-V107 HydrophobicContact CG2-CG1 3.89Å; D105-V107 PolarHBondContact O-N 3.24Å; V107-V109 VanDerWaalsContact C-N 3.34Å; V107-V109 PolarHBondContact O-N 2.99Å; V107-A110 PolarHBondContact O-N 3Å; V107-I111 HydrophobicContact CB-CD1 4.15Å; V107-I111 HydrophobicContact CB-CG1 4.39Å; V107-I111 HydrophobicContact CG2-CD1 3.68Å; V107-I111 HydrophobicContact CG2-CG1 4.45Å; V107-I111 WeakPolarHBondContact O-CB 3.46Å; V107-I111 VanDerWaalsContact O-CG1 3.31Å; V107-I111 WeakPolarHBondContact O-CG1 3.27Å; V107-I111 PolarHBondContact O-N 3.09Å
108G98.1Very high97Very high21 Ų2135.6 Ų35.622%0.21620%0.197CC..Hα-helixtrans-58.1-42.9-174.600000113.3D106 S112D106-G108 PolarHBondContact O-N 2.94Å; D106-G108 PolarHBondContact OD1-N 3.43Å; G108-S112 WeakPolarHBondContact O-CB 3.47Å; G108-S112 PolarHBondContact O-N 3.07Å; G108-S112 PolarHBondContact O-OG 2.93Å
109V98.4Very high97Very high55 Ų5542.5 Ų42.533%0.33322%0.223SC..Hα-helixtrans-68.6-44.6177.2-179.70000111I96 E101 V107 I111 S112 C113I96-V109 HydrophobicContact CD1-CG1 3.75Å; I96-V109 HydrophobicContact CG2-CG1 4.01Å; E101-V109 HydrophobicContact CB-CB 4.43Å; E101-V109 HydrophobicContact CB-CG1 3.88Å; V107-V109 VanDerWaalsContact C-N 3.34Å; V107-V109 PolarHBondContact O-N 2.99Å; V109-I111 PolarHBondContact O-N 3.01Å; V109-S112 PolarHBondContact O-N 2.98Å; V109-C113 PolarHBondContact O-N 3.29Å
110A98.5Very high97.1Very high4 Ų440.1 Ų40.13%0.03321%0.214CC..Hα-helixtrans-61.1-43.4178.300000112.1F75 L102 V107 C113 A114F75-A110 HydrophobicContact CD2-CB 3.9Å; F75-A110 HydrophobicContact CE2-CB 4.11Å; L102-A110 HydrophobicContact CD2-CB 4.05Å; V107-A110 PolarHBondContact O-N 3Å; A110-C113 PolarHBondContact O-N 3.33Å; A110-A114 WeakPolarHBondContact O-CB 3.44Å; A110-A114 PolarHBondContact O-N 3.13Å
111I98.8Very high97.3Very high2 Ų244 Ų441%0.0124%0.24CC..Hα-helixtrans-63.3-44.7175-71.2171.8000110.8W27 M31 N34 M36 F75 V107 V109 C113 A114 K115W27-I111 HydrophobicContact CH2-CD1 4.23Å; W27-I111 HydrophobicContact CH2-CG1 4.32Å; M31-I111 HydrophobicContact SD-CD1 4.03Å; M31-I111 HydrophobicContact SD-CG1 4.09Å; N34-I111 HydrophobicContact CB-CD1 3.82Å; N34-I111 HydrophobicContact CB-CG2 4.19Å; M36-I111 HydrophobicContact CE-CG2 4.48Å; M36-I111 HydrophobicContact CG-CG2 4.07Å; M36-I111 HydrophobicContact SD-CG2 3.72Å; F75-I111 HydrophobicContact CE2-CB 4.5Å; F75-I111 HydrophobicContact CE2-CG1 3.81Å; F75-I111 HydrophobicContact CZ-CG1 3.91Å; V107-I111 HydrophobicContact CB-CD1 4.15Å; V107-I111 HydrophobicContact CB-CG1 4.39Å; V107-I111 HydrophobicContact CG2-CD1 3.68Å; V107-I111 HydrophobicContact CG2-CG1 4.45Å; V107-I111 WeakPolarHBondContact O-CB 3.46Å; V107-I111 VanDerWaalsContact O-CG1 3.31Å; V107-I111 WeakPolarHBondContact O-CG1 3.27Å; V107-I111 PolarHBondContact O-N 3.09Å; V109-I111 PolarHBondContact O-N 3.01Å; I111-C113 VanDerWaalsContact C-N 3.31Å; I111-C113 PolarHBondContact O-N 2.86Å; I111-A114 PolarHBondContact O-N 2.96Å; I111-K115 HydrophobicContact CG2-CD 4.44Å; I111-K115 WeakPolarHBondContact O-CB 3.25Å; I111-K115 WeakPolarHBondContact O-CG 3.1Å; I111-K115 PolarHBondContact O-N 2.97Å
112S98.8Very high97.3Very high77 Ų7747.7 Ų47.754%0.53826%0.257SS..Hα-helixtrans-61.9-41178.7-62.30000111.6G108 V109 K115 R116G108-S112 WeakPolarHBondContact O-CB 3.47Å; G108-S112 PolarHBondContact O-N 3.07Å; G108-S112 PolarHBondContact O-OG 2.93Å; V109-S112 PolarHBondContact O-N 2.98Å; S112-K115 WeakPolarHBondContact O-CB 3.4Å; S112-K115 PolarHBondContact O-N 3.32Å; S112-R116 PolarHBondContact O-N 3.25Å
113C98.8Very high97.3Very high3 Ų348.5 Ų48.52%0.0227%0.265CS..Hα-helixtrans-68.3-43.2175.2-174.90000111.8I77 C94 I96 V109 A110 I111 K115 R116 V117I77-C113 HydrophobicContact CD1-CB 3.91Å; C94-C113 HydrophobicContact CB-CB 3.76Å; C94-C113 WeakPolarHBondContact CB-SG 3.44Å; C94-C113 WeakPolarHBondContact SG-CA 3.46Å; C94-C113 WeakPolarHBondContact SG-CB 3.03Å; C94-C113 CovalentContact SG-SG 2.04Å; C94-C113 PolarHBondContact SG-SG 3.39Å; I96-C113 HydrophobicContact CD1-CB 4.22Å; V109-C113 PolarHBondContact O-N 3.29Å; A110-C113 PolarHBondContact O-N 3.33Å; I111-C113 VanDerWaalsContact C-N 3.31Å; I111-C113 PolarHBondContact O-N 2.86Å; C113-K115 VanDerWaalsContact C-N 3.3Å; C113-K115 PolarHBondContact O-N 3.1Å; C113-R116 CarbonylContact O-C 3.31Å; C113-R116 WeakPolarHBondContact O-CA 3.3Å; C113-R116 VanDerWaalsContact O-CB 3.29Å; C113-R116 WeakPolarHBondContact O-CB 3.37Å; C113-R116 PolarHBondContact O-N 3.08Å; C113-V117 VanDerWaalsContact O-CG2 3.31Å; C113-V117 WeakPolarHBondContact O-CG2 3.31Å; C113-V117 PolarHBondContact O-N 3.34Å
114A98.9Very high97.4Very high0 Ų048.6 Ų48.60%027%0.266CS..Hα-helixtrans-58.8-40.917400000112.3W47 F75 A110 I111 R116 V117 V118 W127W47-A114 HydrophobicContact CZ3-CB 4.36Å; F75-A114 HydrophobicContact CD1-CB 4.02Å; F75-A114 HydrophobicContact CD2-CB 4.11Å; F75-A114 HydrophobicContact CE1-CB 4.14Å; F75-A114 HydrophobicContact CE2-CB 4.24Å; F75-A114 HydrophobicContact CG-CB 4.02Å; F75-A114 HydrophobicContact CZ-CB 4.25Å; A110-A114 WeakPolarHBondContact O-CB 3.44Å; A110-A114 PolarHBondContact O-N 3.13Å; I111-A114 PolarHBondContact O-N 2.96Å; A114-R116 VanDerWaalsContact C-N 3.28Å; A114-R116 PolarHBondContact O-N 3.41Å; A114-V117 PolarHBondContact O-N 3.47Å; A114-V118 PolarHBondContact O-N 2.98Å; A114-V118 VanDerWaalsContact O-N 3.15Å; A114-W127 HydrophobicContact CB-CH2 4.34Å; A114-W127 HydrophobicContact CB-CZ2 4.21Å
115K98.9Very high97.7Very high50 Ų5048 Ų4822%0.21726%0.263CS..Hα-helixtrans-60.8-34.9172.1-78.3-175178.4175.50112.8N34 M36 Y39 I111 S112 C113 R119N34-K115 PolarHBondContact O-NZ 2.97Å; M36-K115 HydrophobicContact SD-CD 4.14Å; M36-K115 WeakPolarHBondContact SD-CE 3.26Å; M36-K115 HydrophobicContact SD-CG 3.65Å; Y39-K115 HydrophobicContact CD1-CB 4.39Å; Y39-K115 HydrophobicContact CD1-CG 3.88Å; Y39-K115 HydrophobicContact CD2-CD 4.25Å; Y39-K115 HydrophobicContact CD2-CG 4.41Å; Y39-K115 HydrophobicContact CE1-CB 3.62Å; Y39-K115 HydrophobicContact CE1-CD 4.31Å; Y39-K115 HydrophobicContact CE1-CG 3.58Å; Y39-K115 WeakPolarHBondContact CE1-O 3.33Å; Y39-K115 HydrophobicContact CE2-CB 4.48Å; Y39-K115 HydrophobicContact CE2-CD 3.98Å; Y39-K115 HydrophobicContact CE2-CG 4.17Å; Y39-K115 HydrophobicContact CG-CG 4.27Å; Y39-K115 PolarHBondContact OH-O 3.4Å; Y39-K115 VanDerWaalsContact OH-O 3.12Å; I111-K115 HydrophobicContact CG2-CD 4.44Å; I111-K115 WeakPolarHBondContact O-CB 3.25Å; I111-K115 WeakPolarHBondContact O-CG 3.1Å; I111-K115 PolarHBondContact O-N 2.97Å; S112-K115 WeakPolarHBondContact O-CB 3.4Å; S112-K115 PolarHBondContact O-N 3.32Å; C113-K115 VanDerWaalsContact C-N 3.3Å; C113-K115 PolarHBondContact O-N 3.1Å; K115-R119 WeakPolarHBondContact O-CG 3.32Å
116R98.8Very high98.1Very high79 Ų7947.5 Ų47.530%0.29827%0.265SS..Hα-helixtrans-69.2-44.8173.6169.962.8-168.990.3-1.8111.1S112 C113 A114 V118 R119 D120S112-R116 PolarHBondContact O-N 3.25Å; C113-R116 CarbonylContact O-C 3.31Å; C113-R116 WeakPolarHBondContact O-CA 3.3Å; C113-R116 VanDerWaalsContact O-CB 3.29Å; C113-R116 WeakPolarHBondContact O-CB 3.37Å; C113-R116 PolarHBondContact O-N 3.08Å; A114-R116 VanDerWaalsContact C-N 3.28Å; A114-R116 PolarHBondContact O-N 3.41Å; R116-V118 PolarHBondContact O-N 3.45Å; R116-R119 WeakPolarHBondContact O-CB 3.44Å; R116-R119 PolarHBondContact O-N 3.44Å; R116-R119 VanDerWaalsContact O-N 3.12Å; R116-D120 IonicContact CZ-OD1 2.93Å; R116-D120 IonicContact NH1-OD1 3.43Å; R116-D120 PolarHBondContact NH1-OD1 2.95Å; R116-D120 IonicContact NH2-OD1 3.39Å; R116-D120 PolarHBondContact NH2-OD1 3.12Å
117V98.8Very high98.4Very high3 Ų342.8 Ų42.82%0.01824%0.239CC..Hα-helixtrans-57.4-51-179.5174.20000111.2W82 C113 A114 R119 D120 A126 W127W82-V117 HydrophobicContact CD2-CG2 3.54Å; W82-V117 HydrophobicContact CE3-CG2 3.76Å; W82-V117 HydrophobicContact CG-CG2 4.01Å; W82-V117 HydrophobicContact CH2-CB 4.22Å; W82-V117 HydrophobicContact CH2-CG1 4.15Å; W82-V117 HydrophobicContact CH2-CG2 4.16Å; W82-V117 HydrophobicContact CZ2-CB 4.14Å; W82-V117 HydrophobicContact CZ2-CG1 3.69Å; W82-V117 HydrophobicContact CZ2-CG2 3.96Å; W82-V117 HydrophobicContact CZ3-CB 4.45Å; W82-V117 HydrophobicContact CZ3-CG2 4.06Å; C113-V117 VanDerWaalsContact O-CG2 3.31Å; C113-V117 WeakPolarHBondContact O-CG2 3.31Å; C113-V117 PolarHBondContact O-N 3.34Å; A114-V117 PolarHBondContact O-N 3.47Å; V117-R119 PolarHBondContact O-N 3.16Å; V117-D120 WeakPolarHBondContact O-CB 3.2Å; V117-D120 PolarHBondContact O-N 2.9Å; V117-A126 HydrophobicContact CG1-CB 3.9Å; V117-W127 HydrophobicContact CB-CH2 3.44Å; V117-W127 VanDerWaalsContact CB-CH2 3.44Å; V117-W127 HydrophobicContact CB-CZ2 4.09Å; V117-W127 HydrophobicContact CB-CZ3 4.04Å; V117-W127 HydrophobicContact CG1-CE3 4.22Å; V117-W127 HydrophobicContact CG1-CH2 3.25Å; V117-W127 HydrophobicContact CG1-CZ2 3.9Å; V117-W127 HydrophobicContact CG1-CZ3 3.38Å; V117-W127 HydrophobicContact CG2-CH2 4.13Å; V117-W127 HydrophobicContact CG2-CZ2 4.29Å
118V98.8Very high98.4Very high5 Ų546 Ų463%0.0326%0.259CS..THydrogen-bonded Turntrans-69.4-2.6-179.1-62.80000114.2Y39 R40 I42 W47 A114 R116 D120 I124 W127Y39-V118 HydrophobicContact CD1-CG2 3.85Å; Y39-V118 HydrophobicContact CE1-CG2 3.54Å; R40-V118 HydrophobicContact CB-CG2 4.48Å; R40-V118 HydrophobicContact CG-CG2 4.23Å; I42-V118 HydrophobicContact CD1-CB 3.95Å; I42-V118 HydrophobicContact CD1-CG1 3.76Å; I42-V118 HydrophobicContact CD1-CG2 4.25Å; W47-V118 HydrophobicContact CH2-CB 4.34Å; W47-V118 HydrophobicContact CH2-CG1 3.4Å; W47-V118 VanDerWaalsContact CH2-CG1 3.4Å; W47-V118 HydrophobicContact CH2-CG2 4.02Å; W47-V118 HydrophobicContact CZ2-CG1 4.08Å; W47-V118 HydrophobicContact CZ2-CG2 4.19Å; W47-V118 HydrophobicContact CZ3-CG1 4.24Å; A114-V118 PolarHBondContact O-N 2.98Å; A114-V118 VanDerWaalsContact O-N 3.15Å; R116-V118 PolarHBondContact O-N 3.45Å; V118-D120 VanDerWaalsContact C-N 3.3Å; V118-I124 HydrophobicContact CG1-CB 4.35Å; V118-W127 HydrophobicContact CG1-CH2 3.88Å; V118-W127 HydrophobicContact CG1-CZ3 3.47Å; V118-W127 VanDerWaalsContact CG1-CZ3 3.47Å
119R98.5Very high98.4Very high145 Ų14545.4 Ų45.455%0.54725%0.253SS..THydrogen-bonded Turntrans-76.2-22.4170.1-70.3168.162.1-176-0.7112.4R40 K115 R116 V117R40-R119 VanDerWaalsContact NH2-CA 3.34Å; R40-R119 PolarHBondContact NH2-O 3.03Å; K115-R119 WeakPolarHBondContact O-CG 3.32Å; R116-R119 WeakPolarHBondContact O-CB 3.44Å; R116-R119 PolarHBondContact O-N 3.44Å; R116-R119 VanDerWaalsContact O-N 3.12Å; V117-R119 PolarHBondContact O-N 3.16Å
120D98.2Very high98.4Very high61 Ų6144.1 Ų44.133%0.32624%0.242SC..SBendtrans-72.7160.5176.6-81.419.3000111.4W82 R116 V117 V118 Q122 G123W82-D120 WeakPolarHBondContact CH2-OD2 3.3Å; R116-D120 IonicContact CZ-OD1 2.93Å; R116-D120 IonicContact NH1-OD1 3.43Å; R116-D120 PolarHBondContact NH1-OD1 2.95Å; R116-D120 IonicContact NH2-OD1 3.39Å; R116-D120 PolarHBondContact NH2-OD1 3.12Å; V117-D120 WeakPolarHBondContact O-CB 3.2Å; V117-D120 PolarHBondContact O-N 2.9Å; V118-D120 VanDerWaalsContact C-N 3.3Å; D120-Q122 PolarHBondContact O-N 2.86Å; D120-G123 PolarHBondContact O-N 2.03Å
121P97.9Very high98.4Very high141 Ų14148.8 Ų48.892%0.91626%0.258SS*.THydrogen-bonded Turntrans-56.8-25.2-172.1-28.636.4000115.9G123P121-G123 VanDerWaalsContact C-N 3.25Å; P121-G123 PolarHBondContact O-N 2.93Å
122Q97.5Very high98.4Very high132 Ų13255 Ų5562%0.61729%0.289SS*.THydrogen-bonded Turntrans-72.7-18.9177-63-168.919.800113D120 I124 A125 A126D120-Q122 PolarHBondContact O-N 2.86Å; Q122-I124 PolarHBondContact O-N 2.92Å; Q122-A125 VanDerWaalsContact O-CB 3.25Å; Q122-A125 WeakPolarHBondContact O-CB 3.23Å; Q122-A125 PolarHBondContact O-N 3.36Å; Q122-A126 HydrophobicContact CB-CB 4.35Å
123G98.3Very high98.4Very high19 Ų1955.2 Ų55.220%0.19628%0.281CS..G310 helixtrans54.1-137.3-174.700000111.6D120 P121 A125 A126D120-G123 PolarHBondContact O-N 2.03Å; P121-G123 VanDerWaalsContact C-N 3.25Å; P121-G123 PolarHBondContact O-N 2.93Å; G123-A125 PolarHBondContact O-N 3.39Å; G123-A126 PolarHBondContact O-N 3.28Å
124I98.5Very high98.4Very high17 Ų1755.1 Ų55.19%0.08728%0.281CS..G310 helixtrans-67.9-14.9176.7-166.7161.6000113.6I42 N46 W47 L50 V118 Q122 A126 W127 W130I42-I124 HydrophobicContact CD1-CB 3.82Å; I42-I124 HydrophobicContact CD1-CD1 4.48Å; I42-I124 HydrophobicContact CD1-CG2 4.39Å; I42-I124 HydrophobicContact CG1-CB 4.26Å; I42-I124 HydrophobicContact CG1-CG2 4.34Å; I42-I124 HydrophobicContact CG2-CD1 3.55Å; N46-I124 HydrophobicContact CB-CD1 4.14Å; W47-I124 HydrophobicContact CE3-CD1 4.36Å; L50-I124 HydrophobicContact CD1-CD1 3.77Å; L50-I124 HydrophobicContact CD1-CG1 3.62Å; V118-I124 HydrophobicContact CG1-CB 4.35Å; Q122-I124 PolarHBondContact O-N 2.92Å; I124-A126 PolarHBondContact O-N 3.04Å; I124-A126 VanDerWaalsContact O-N 3.13Å; I124-W127 HydrophobicContact CG1-CE3 4.45Å; I124-W127 PolarHBondContact O-N 2.74Å; I124-W130 HydrophobicContact CB-CD2 4.43Å; I124-W130 HydrophobicContact CD1-CD2 4.29Å; I124-W130 HydrophobicContact CD1-CG 4.02Å; I124-W130 HydrophobicContact CG1-CB 4.39Å; I124-W130 HydrophobicContact CG1-CD2 3.85Å; I124-W130 HydrophobicContact CG1-CE3 4.43Å; I124-W130 HydrophobicContact CG1-CG 3.77Å; I124-W130 HydrophobicContact CG2-CD2 3.91Å; I124-W130 HydrophobicContact CG2-CE3 4Å; I124-W130 HydrophobicContact CG2-CH2 3.67Å; I124-W130 HydrophobicContact CG2-CZ2 3.57Å; I124-W130 HydrophobicContact CG2-CZ3 3.88Å
125A98.4Very high98.3Very high27 Ų2760 Ų6022%0.22330%0.302CS..G310 helixtrans-71.1-5.717800000113.7Q122 G123 W127 W130 R131Q122-A125 VanDerWaalsContact O-CB 3.25Å; Q122-A125 WeakPolarHBondContact O-CB 3.23Å; Q122-A125 PolarHBondContact O-N 3.36Å; G123-A125 PolarHBondContact O-N 3.39Å; A125-W127 PolarHBondContact O-N 2.79Å; A125-W130 HydrophobicContact CB-CE3 4.42Å; A125-W130 HydrophobicContact CB-CZ3 3.98Å; A125-R131 HydrophobicContact CB-CG 4.18Å; A125-R131 VanDerWaalsContact O-CD 3.27Å; A125-R131 WeakPolarHBondContact O-CD 3.48Å; A125-R131 WeakPolarHBondContact O-CG 3.43Å; A125-R131 PolarHBondContact O-NH1 3.37Å
126A98.4Very high98.3Very high34 Ų3464.8 Ų64.828%0.28133%0.33SS..G310 helixtrans-58.6-30169.900000112.3V117 Q122 G123 I124V117-A126 HydrophobicContact CG1-CB 3.9Å; Q122-A126 HydrophobicContact CB-CB 4.35Å; G123-A126 PolarHBondContact O-N 3.28Å; I124-A126 PolarHBondContact O-N 3.04Å; I124-A126 VanDerWaalsContact O-N 3.13Å
127W98.6Very high98.2Very high13 Ų1366.7 Ų66.75%0.04934%0.342CS..  trans-87.5123.2179.6-74.7-93000112.4W47 L50 E54 F75 A114 V117 V118 I124 A125 W130 R131W47-W127 HydrophobicContact CZ3-CH2 4.34Å; L50-W127 HydrophobicContact CD1-CB 3.81Å; L50-W127 HydrophobicContact CD1-CD2 3.63Å; L50-W127 HydrophobicContact CD1-CE3 3.92Å; L50-W127 HydrophobicContact CD1-CG 3.59Å; L50-W127 HydrophobicContact CD2-CG 4.16Å; L50-W127 HydrophobicContact CG-CB 4.06Å; L50-W127 HydrophobicContact CG-CD2 4.43Å; L50-W127 HydrophobicContact CG-CG 3.96Å; E54-W127 WeakPolarHBondContact OE1-CB 3.5Å; F75-W127 VanDerWaalsContact O-CD1 3.28Å; F75-W127 PolarHBondContact O-NE1 2.79Å; A114-W127 HydrophobicContact CB-CH2 4.34Å; A114-W127 HydrophobicContact CB-CZ2 4.21Å; V117-W127 HydrophobicContact CB-CH2 3.44Å; V117-W127 VanDerWaalsContact CB-CH2 3.44Å; V117-W127 HydrophobicContact CB-CZ2 4.09Å; V117-W127 HydrophobicContact CB-CZ3 4.04Å; V117-W127 HydrophobicContact CG1-CE3 4.22Å; V117-W127 HydrophobicContact CG1-CH2 3.25Å; V117-W127 HydrophobicContact CG1-CZ2 3.9Å; V117-W127 HydrophobicContact CG1-CZ3 3.38Å; V117-W127 HydrophobicContact CG2-CH2 4.13Å; V117-W127 HydrophobicContact CG2-CZ2 4.29Å; V118-W127 HydrophobicContact CG1-CH2 3.88Å; V118-W127 HydrophobicContact CG1-CZ3 3.47Å; V118-W127 VanDerWaalsContact CG1-CZ3 3.47Å; I124-W127 HydrophobicContact CG1-CE3 4.45Å; I124-W127 PolarHBondContact O-N 2.74Å; A125-W127 PolarHBondContact O-N 2.79Å; W127-W130 HydrophobicContact CB-CB 4.01Å; W127-W130 PolarHBondContact O-N 2.87Å; W127-R131 WeakPolarHBondContact O-CG 3.07Å; W127-R131 PolarHBondContact O-N 2.99Å; W127-R131 VanDerWaalsContact O-N 3.12Å
128V97.4Very high98.2Very high79 Ų7971.9 Ų71.948%0.47937%0.37SS..Hα-helixtrans-67.1-42.9-179.3-174.60000110.6E54 W130 R131 M132E54-V128 PolarHBondContact OE1-N 2.92Å; V128-W130 VanDerWaalsContact C-N 3.29Å; V128-W130 PolarHBondContact O-N 2.92Å; V128-R131 PolarHBondContact O-N 3.08Å; V128-R131 VanDerWaalsContact O-N 3.16Å; V128-M132 HydrophobicContact CG1-CG 4.06Å; V128-M132 WeakPolarHBondContact O-CG 3.07Å; V128-M132 PolarHBondContact O-N 3.47Å
129G97Very high98.1Very high8 Ų872.4 Ų72.48%0.08237%0.373CS..Hα-helixtrans-58.1-42.4177.900000111.6E54 M132 H133E54-G129 VanDerWaalsContact OE1-CA 3.31Å; E54-G129 WeakPolarHBondContact OE1-CA 3.48Å; E54-G129 PolarHBondContact OE1-N 3.34Å; G129-M132 PolarHBondContact O-N 2.87Å; G129-H133 WeakPolarHBondContact O-CB 3.36Å; G129-H133 PolarHBondContact O-CD2 3.4Å; G129-H133 PolarHBondContact O-N 2.93Å
130W98.7Very high98.1Very high27 Ų2768.6 Ų68.610%0.10237%0.369CS..Hα-helixtrans-63.9-46.6174.6-178.887.1000112.7N46 L50 I124 A125 W127 V128 M132 C134 K135N46-W130 PolarHBondContact OD1-NE1 3.44Å; L50-W130 HydrophobicContact CB-CB 4.12Å; L50-W130 HydrophobicContact CD1-CB 4.05Å; L50-W130 HydrophobicContact CD1-CG 4.5Å; L50-W130 HydrophobicContact CG-CB 4.08Å; I124-W130 HydrophobicContact CB-CD2 4.43Å; I124-W130 HydrophobicContact CD1-CD2 4.29Å; I124-W130 HydrophobicContact CD1-CG 4.02Å; I124-W130 HydrophobicContact CG1-CB 4.39Å; I124-W130 HydrophobicContact CG1-CD2 3.85Å; I124-W130 HydrophobicContact CG1-CE3 4.43Å; I124-W130 HydrophobicContact CG1-CG 3.77Å; I124-W130 HydrophobicContact CG2-CD2 3.91Å; I124-W130 HydrophobicContact CG2-CE3 4Å; I124-W130 HydrophobicContact CG2-CH2 3.67Å; I124-W130 HydrophobicContact CG2-CZ2 3.57Å; I124-W130 HydrophobicContact CG2-CZ3 3.88Å; A125-W130 HydrophobicContact CB-CE3 4.42Å; A125-W130 HydrophobicContact CB-CZ3 3.98Å; W127-W130 HydrophobicContact CB-CB 4.01Å; W127-W130 PolarHBondContact O-N 2.87Å; V128-W130 VanDerWaalsContact C-N 3.29Å; V128-W130 PolarHBondContact O-N 2.92Å; W130-M132 VanDerWaalsContact C-N 3.28Å; W130-M132 PolarHBondContact O-N 2.73Å; W130-C134 HydrophobicContact CB-CB 4.43Å; W130-C134 HydrophobicContact CD2-CB 4.43Å; W130-C134 HydrophobicContact CG-CB 3.85Å; W130-C134 WeakPolarHBondContact O-CA 3.2Å; W130-C134 VanDerWaalsContact O-CB 3.25Å; W130-C134 WeakPolarHBondContact O-CB 3.41Å; W130-C134 PolarHBondContact O-N 3.39Å; W130-K135 HydrophobicContact CE3-CB 4.22Å; W130-K135 HydrophobicContact CH2-CB 3.8Å; W130-K135 HydrophobicContact CH2-CD 4.08Å; W130-K135 HydrophobicContact CH2-CG 3.72Å; W130-K135 HydrophobicContact CZ2-CB 4.14Å; W130-K135 HydrophobicContact CZ2-CG 4.38Å; W130-K135 HydrophobicContact CZ3-CB 3.84Å; W130-K135 HydrophobicContact CZ3-CD 3.92Å; W130-K135 HydrophobicContact CZ3-CG 3.97Å; W130-K135 PolarHBondContact O-N 3.31Å
131R98.6Very high98Very high103 Ų10371.5 Ų71.539%0.38938%0.378SS..Hα-helixtrans-60.2-39.7179.7-69.3-166.7-46.3-103.53.5112.5A125 W127 V128A125-R131 HydrophobicContact CB-CG 4.18Å; A125-R131 VanDerWaalsContact O-CD 3.27Å; A125-R131 WeakPolarHBondContact O-CD 3.48Å; A125-R131 WeakPolarHBondContact O-CG 3.43Å; A125-R131 PolarHBondContact O-NH1 3.37Å; W127-R131 WeakPolarHBondContact O-CG 3.07Å; W127-R131 PolarHBondContact O-N 2.99Å; W127-R131 VanDerWaalsContact O-N 3.12Å; V128-R131 PolarHBondContact O-N 3.08Å; V128-R131 VanDerWaalsContact O-N 3.16Å
132M98.4Very high98Very high133 Ų13365.5 Ų65.566%0.65534%0.338SS*.Hα-helixtrans-80.4-32.9-173.8-67.5-58.2-64.300112.9V128 G129 W130V128-M132 HydrophobicContact CG1-CG 4.06Å; V128-M132 WeakPolarHBondContact O-CG 3.07Å; V128-M132 PolarHBondContact O-N 3.47Å; G129-M132 PolarHBondContact O-N 2.87Å; W130-M132 VanDerWaalsContact C-N 3.28Å; W130-M132 PolarHBondContact O-N 2.73Å
133H98.4Very high98Very high81 Ų8161.3 Ų61.338%0.37532%0.319SS..Hα-helixtrans-122.7-12.8-167.9-58.1-75.5000115.4W53 G129W53-H133 HydrophobicContact CB-CB 4.32Å; W53-H133 HydrophobicContact CD2-CB 3.54Å; W53-H133 AromaticContact CD2-CD2 3.64Å; W53-H133 AromaticContact CD2-CG 3.4Å; W53-H133 VanDerWaalsContact CD2-CG 3.4Å; W53-H133 AromaticContact CD2-ND1 3.87Å; W53-H133 VanDerWaalsContact CE2-CB 3.45Å; W53-H133 AromaticContact CE2-CG 3.65Å; W53-H133 AromaticContact CE2-ND1 3.91Å; W53-H133 HydrophobicContact CE3-CB 4.31Å; W53-H133 AromaticContact CE3-CD2 3.63Å; W53-H133 AromaticContact CE3-CE1 3.82Å; W53-H133 AromaticContact CE3-CG 3.67Å; W53-H133 AromaticContact CE3-ND1 3.78Å; W53-H133 AromaticContact CE3-NE2 3.76Å; W53-H133 HydrophobicContact CG-CB 3.5Å; W53-H133 VanDerWaalsContact CG-CB 3.5Å; W53-H133 AromaticContact CG-CD2 3.82Å; W53-H133 AromaticContact CG-CG 3.74Å; W53-H133 AromaticContact CH2-ND1 3.81Å; W53-H133 HydrophobicContact CZ2-CB 4.15Å; W53-H133 AromaticContact CZ2-ND1 3.9Å; W53-H133 AromaticContact CZ3-CE1 3.73Å; W53-H133 AromaticContact CZ3-ND1 3.76Å; W53-H133 VanDerWaalsContact NE1-CB 3.32Å; G129-H133 WeakPolarHBondContact O-CB 3.36Å; G129-H133 PolarHBondContact O-CD2 3.4Å; G129-H133 PolarHBondContact O-N 2.93Å
134C98.6Very high97.8Very high1 Ų167.4 Ų67.41%0.00734%0.343CS..THydrogen-bonded Turntrans-120.7-37-173.1-52.20000112.8C49 W130 N136 Q137 V139C49-C134 HydrophobicContact CB-CB 3.81Å; C49-C134 WeakPolarHBondContact CB-SG 3.33Å; C49-C134 WeakPolarHBondContact SG-CA 3.05Å; C49-C134 WeakPolarHBondContact SG-CB 3.29Å; C49-C134 CovalentContact SG-SG 2.02Å; C49-C134 PolarHBondContact SG-SG 3.34Å; W130-C134 HydrophobicContact CB-CB 4.43Å; W130-C134 HydrophobicContact CD2-CB 4.43Å; W130-C134 HydrophobicContact CG-CB 3.85Å; W130-C134 WeakPolarHBondContact O-CA 3.2Å; W130-C134 VanDerWaalsContact O-CB 3.25Å; W130-C134 WeakPolarHBondContact O-CB 3.41Å; W130-C134 PolarHBondContact O-N 3.39Å; C134-N136 PolarHBondContact O-N 2.89Å; C134-Q137 WeakPolarHBondContact O-CB 3.3Å; C134-Q137 PolarHBondContact O-N 2.83Å; C134-Q137 VanDerWaalsContact O-N 3.08Å; C134-V139 HydrophobicContact CB-CG1 4.19Å
135K98.3Very high97.7Very high101 Ų10170.3 Ų70.344%0.43938%0.377SS..THydrogen-bonded Turntrans-59.1128.7-178.8-174.2178.2-179.9-179.70110.8W130 Q137W130-K135 HydrophobicContact CE3-CB 4.22Å; W130-K135 HydrophobicContact CH2-CB 3.8Å; W130-K135 HydrophobicContact CH2-CD 4.08Å; W130-K135 HydrophobicContact CH2-CG 3.72Å; W130-K135 HydrophobicContact CZ2-CB 4.14Å; W130-K135 HydrophobicContact CZ2-CG 4.38Å; W130-K135 HydrophobicContact CZ3-CB 3.84Å; W130-K135 HydrophobicContact CZ3-CD 3.92Å; W130-K135 HydrophobicContact CZ3-CG 3.97Å; W130-K135 PolarHBondContact O-N 3.31Å; K135-Q137 PolarHBondContact O-N 2.91Å
136N97.8Very high97.6Very high151 Ų15169.3 Ų69.381%0.80737%0.368SS*.THydrogen-bonded Turntrans58.721.9-178.5-53.3-25.8000114.3C134C134-N136 PolarHBondContact O-N 2.89Å
137Q97.6Very high97.3Very high120 Ų12071.1 Ų71.156%0.56139%0.39SS*.SBendtrans-105.7156.6174.5-58.3-57.3-40.500110.5C134 K135 V139C134-Q137 WeakPolarHBondContact O-CB 3.3Å; C134-Q137 PolarHBondContact O-N 2.83Å; C134-Q137 VanDerWaalsContact O-N 3.08Å; K135-Q137 PolarHBondContact O-N 2.91Å; Q137-V139 PolarHBondContact O-N 2.89Å; Q137-V139 VanDerWaalsContact O-N 3.13Å
138D97.5Very high96.7Very high112 Ų11271.9 Ų71.960%0.59940%0.395SS*.  trans-71.8105.3164.2-177.97000109.8S140D138-S140 VanDerWaalsContact CG-OG 3.29Å; D138-S140 WeakPolarHBondContact OD1-CB 3.32Å; D138-S140 PolarHBondContact OD1-N 3.07Å; D138-S140 PolarHBondContact OD1-OG 3.35Å; D138-S140 PolarHBondContact OD2-OG 2.73Å
139V98.3Very high95.5Very high15 Ų1574.6 Ų74.69%0.09141%0.406CS..  trans-94.61.1178.4-66.30000112.9A45 C49 C134 Q137 K141 Y142A45-V139 HydrophobicContact CB-CB 4.13Å; A45-V139 HydrophobicContact CB-CG2 3.63Å; C49-V139 HydrophobicContact CB-CB 4.31Å; C49-V139 HydrophobicContact CB-CG1 3.81Å; C134-V139 HydrophobicContact CB-CG1 4.19Å; Q137-V139 PolarHBondContact O-N 2.89Å; Q137-V139 VanDerWaalsContact O-N 3.13Å; V139-K141 PolarHBondContact O-N 3.37Å; V139-Y142 HydrophobicContact CB-CD2 4.07Å; V139-Y142 HydrophobicContact CG1-CD2 4.43Å; V139-Y142 HydrophobicContact CG1-CE2 4.48Å; V139-Y142 WeakPolarHBondContact O-CB 3.49Å; V139-Y142 WeakPolarHBondContact O-CD2 3.49Å; V139-Y142 PolarHBondContact O-N 3.04Å
140S96.9Very high93.6Very high66 Ų6678.9 Ų78.946%0.46244%0.435SS..G310 helixtrans-58.8-32.6-178.566.80000113.1D138 Y142 L143 Q144D138-S140 VanDerWaalsContact CG-OG 3.29Å; D138-S140 WeakPolarHBondContact OD1-CB 3.32Å; D138-S140 PolarHBondContact OD1-N 3.07Å; D138-S140 PolarHBondContact OD1-OG 3.35Å; D138-S140 PolarHBondContact OD2-OG 2.73Å; S140-Y142 PolarHBondContact O-N 2.64Å; S140-L143 PolarHBondContact O-N 3.01Å; S140-Q144 PolarHBondContact O-N 3.43Å
141K96.6Very high91.2Very high122 Ų12281.8 Ų81.853%0.5346%0.46SS..G310 helixtrans-52.7-28.3175.267.9-176.4178-174.90113.9V139 L143 Q144V139-K141 PolarHBondContact O-N 3.37Å; K141-L143 PolarHBondContact O-N 2.81Å; K141-Q144 PolarHBondContact O-N 2.93Å
142Y97.7Very high88.5Confident15 Ų1586.3 Ų86.36%0.05948%0.482CS..G310 helixtrans-69.4-19.3178.8-72.3-80.5000113.1R24 M48 C49 Y52 W53 Y57 V139 S140R24-Y142 WeakPolarHBondContact CD-O 3.43Å; R24-Y142 WeakPolarHBondContact CG-O 3.44Å; R24-Y142 VanDerWaalsContact NH1-C 3.28Å; R24-Y142 PolarHBondContact NH1-O 3.27Å; M48-Y142 HydrophobicContact CB-CG 4.31Å; C49-Y142 HydrophobicContact CB-CD2 3.61Å; C49-Y142 HydrophobicContact CB-CE1 4.4Å; C49-Y142 HydrophobicContact CB-CE2 3.46Å; C49-Y142 VanDerWaalsContact CB-CE2 3.46Å; C49-Y142 HydrophobicContact CB-CG 4.18Å; C49-Y142 WeakPolarHBondContact SG-CE2 3.43Å; Y52-Y142 AromaticContact CD1-CE1 3.88Å; Y52-Y142 HydrophobicContact CD1-CE1 3.88Å; Y52-Y142 AromaticContact CG-CE1 3.78Å; Y52-Y142 HydrophobicContact CG-CE1 3.78Å; W53-Y142 PolarHBondContact NE1-OH 2.82Å; Y57-Y142 WeakPolarHBondContact OH-CD1 3.38Å; V139-Y142 HydrophobicContact CB-CD2 4.07Å; V139-Y142 HydrophobicContact CG1-CD2 4.43Å; V139-Y142 HydrophobicContact CG1-CE2 4.48Å; V139-Y142 WeakPolarHBondContact O-CB 3.49Å; V139-Y142 WeakPolarHBondContact O-CD2 3.49Å; V139-Y142 PolarHBondContact O-N 3.04Å; S140-Y142 PolarHBondContact O-N 2.64Å
143L97.4Very high85.8Confident44 Ų4491.3 Ų91.323%0.2351%0.51CS..THydrogen-bonded Turntrans-109.3-9.3178.3-57.4-176.6000113.7A28 L44 A45 M48 S140 K141 G145 C146 L148A28-L143 HydrophobicContact CB-CD2 3.9Å; L44-L143 HydrophobicContact CB-CD1 4.19Å; L44-L143 HydrophobicContact CD2-CD1 4.21Å; L44-L143 HydrophobicContact CD2-CD2 3.93Å; L44-L143 HydrophobicContact CG-CD1 4.32Å; L44-L143 HydrophobicContact CG-CD2 3.97Å; A45-L143 HydrophobicContact CB-CD1 3.79Å; A45-L143 HydrophobicContact CB-CG 4.03Å; M48-L143 HydrophobicContact CG-CD2 3.67Å; S140-L143 PolarHBondContact O-N 3.01Å; K141-L143 PolarHBondContact O-N 2.81Å; L143-G145 PolarHBondContact O-N 3.06Å; L143-C146 VanDerWaalsContact O-CB 3.31Å; L143-C146 WeakPolarHBondContact O-CB 3.32Å; L143-C146 PolarHBondContact O-N 3.46Å; L143-L148 HydrophobicContact CB-CD1 4.36Å; L143-L148 HydrophobicContact CD1-CD1 4.5Å; L143-L148 HydrophobicContact CD2-CD1 3.78Å; L143-L148 HydrophobicContact CG-CD1 4.43Å
144Q95.8Very high85.2Confident147 Ų14791.8 Ų91.869%0.68752%0.517SS*.THydrogen-bonded Turntrans-54.5131.2-176.8-169.4177.522.200111.5R24 S140 K141 C146R24-Q144 VanDerWaalsContact CZ-O 3.25Å; R24-Q144 PolarHBondContact NH1-O 3.19Å; R24-Q144 PolarHBondContact NH2-O 2.59Å; S140-Q144 PolarHBondContact O-N 3.43Å; K141-Q144 PolarHBondContact O-N 2.93Å; Q144-C146 PolarHBondContact O-N 3.14Å
145G95.4Very high84.5Confident78 Ų7896.6 Ų96.680%0.80454%0.544SS*.THydrogen-bonded Turntrans71.96.5179.200000115.7L143 G147L143-G145 PolarHBondContact O-N 3.06Å; G145-G147 VanDerWaalsContact C-N 3.33Å
146C95.7Very high83.7Confident6 Ų696.3 Ų96.34%0.04155%0.55CS..SBendtrans-83.1-6.4177.9-63.90000114.7R24 C25 R29 L143 Q144 L148R24-C146 PolarHBondContact NH1-SG 2.94Å; C25-C146 WeakPolarHBondContact CA-SG 3.43Å; C25-C146 HydrophobicContact CB-CB 3.66Å; C25-C146 WeakPolarHBondContact CB-SG 3.28Å; C25-C146 WeakPolarHBondContact SG-CA 3.33Å; C25-C146 WeakPolarHBondContact SG-CB 3.48Å; C25-C146 CovalentContact SG-SG 2.05Å; C25-C146 PolarHBondContact SG-SG 2.85Å; R29-C146 PolarHBondContact NH1-O 3.24Å; L143-C146 VanDerWaalsContact O-CB 3.31Å; L143-C146 WeakPolarHBondContact O-CB 3.32Å; L143-C146 PolarHBondContact O-N 3.46Å; Q144-C146 PolarHBondContact O-N 3.14Å; C146-L148 VanDerWaalsContact C-N 3.35Å; C146-L148 HydrophobicContact CB-CD1 3.89Å; C146-L148 HydrophobicContact CB-CD2 4.36Å; C146-L148 HydrophobicContact CB-CG 3.74Å; C146-L148 PolarHBondContact O-N 3.28Å
147G92.6Very high82.9Confident71 Ų7193.1 Ų93.173%0.73254%0.535SS*.  trans59.342.9177.300000112.8G145 D149G145-G147 VanDerWaalsContact C-N 3.33Å; G147-D149 VanDerWaalsContact C-N 3.27Å; G147-D149 PolarHBondContact O-N 3.31Å
148L86.4Confident82Confident30 Ų3091.4 Ų91.416%0.15753%0.533CS..  trans-88.69.2-174-62.1173.8000113.3A28 R29 K32 L44 L143 C146 S150A28-L148 HydrophobicContact CB-CD1 3.88Å; R29-L148 HydrophobicContact CG-CD2 3.57Å; K32-L148 PolarHBondContact NZ-O 2.9Å; L44-L148 HydrophobicContact CD2-CD1 3.76Å; L143-L148 HydrophobicContact CB-CD1 4.36Å; L143-L148 HydrophobicContact CD1-CD1 4.5Å; L143-L148 HydrophobicContact CD2-CD1 3.78Å; L143-L148 HydrophobicContact CG-CD1 4.43Å; C146-L148 VanDerWaalsContact C-N 3.35Å; C146-L148 HydrophobicContact CB-CD1 3.89Å; C146-L148 HydrophobicContact CB-CD2 4.36Å; C146-L148 HydrophobicContact CB-CG 3.74Å; C146-L148 PolarHBondContact O-N 3.28Å; L148-S150 PolarHBondContact O-N 3.24Å
149D71.9Confident81Confident135 Ų13590.1 Ų90.172%0.72253%0.529SS*.  trans-65.9131.7-179.8-63-33.7000110.7G147 S151G147-D149 VanDerWaalsContact C-N 3.27Å; G147-D149 PolarHBondContact O-N 3.31Å; D149-S151 PolarHBondContact O-N 3.04Å
150S56.4Low79.7Confident99 Ų9995.4 Ų95.469%0.69256%0.56SS**THydrogen-bonded Turntrans-78.123.7-170.4-44.50000114.1K32 L148K32-S150 PolarHBondContact NZ-OG 3.33Å; L148-S150 PolarHBondContact O-N 3.24Å
151S48.9Very low78.4Confident88 Ų8897.7 Ų97.762%0.61557%0.568SS**THydrogen-bonded Turntrans-101.79.1-171.938.20000115.3D149D149-S151 PolarHBondContact O-N 3.04Å
152F42.4Very low76.9Confident197 Ų19795.7 Ų95.786%0.86457%0.571SS**  trans-131.522.5176.2-68.8-73.8000114.7
153L42Very low75Confident238 Ų238103 Ų103100%1.24662%0.617SS**  trans-1200165-72.2176000109.8

Retrieved 153 of 153 residues in 47.6 ms (Link to these results)

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