A0A087Y756_POEFO Loading...

Large ribosomal subunit protein eL14

AlphaFold DB , UniProt , Accession A0A087Y756, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 137 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
1M71.4Confident93.9Very high207 Ų20798.4 Ų98.4100%1.0247%0.471SS*.  0129.20-153.8176.5-128.200108.6F6M1-F6 HydrophobicContact SD-CE2 4.39Å; M1-F6 HydrophobicContact SD-CZ 3.88Å
2V93.9Very high94.2Very high135 Ų13590.2 Ų90.282%0.81843%0.432SS*.  trans-74.8-36.8-171.8-179.80000112.1
3F93.4Very high94.5Very high153 Ų15383.2 Ų83.267%0.67140%0.399SS*.  trans-86.5136.3176-56.9-62.9000111.3F6F3-F6 HydrophobicContact CB-CE1 3.66Å; F3-F6 HydrophobicContact CB-CE2 4.43Å; F3-F6 HydrophobicContact CB-CZ 3.56Å; F3-F6 WeakPolarHBondContact O-CE2 3.39Å; F3-F6 VanDerWaalsContact O-CZ 3.27Å; F3-F6 WeakPolarHBondContact O-CZ 3.48Å
4K94.3Very high94.8Very high181 Ų18179.3 Ų79.379%0.78738%0.378SS*.  trans-113.3-23.1-178.6-63.3-175.9179.6-178.60114
5R96.4Very high95Very high103 Ų10374.1 Ų74.139%0.38935%0.353SS..  trans-120.1125.1-178.6-62.6-178.9-177.6164.94.6108.4L57 D59R5-L57 HydrophobicContact CB-CB 4.11Å; R5-L57 HydrophobicContact CB-CD1 4.25Å; R5-L57 VanDerWaalsContact CD-O 3.32Å; R5-L57 WeakPolarHBondContact CD-O 3.37Å; R5-L57 PolarHBondContact NH1-O 3.46Å; R5-D59 IonicContact CZ-OD1 3.57Å; R5-D59 IonicContact CZ-OD2 3.3Å; R5-D59 IonicContact NE-OD1 3.96Å; R5-D59 PolarHBondContact NE-OD1 3.01Å; R5-D59 IonicContact NE-OD2 2.94Å; R5-D59 VanDerWaalsContact NH2-CG 3.28Å; R5-D59 IonicContact NH2-OD1 3.2Å; R5-D59 PolarHBondContact NH2-OD1 3.13Å; R5-D59 VanDerWaalsContact NH2-OD1 3.15Å; R5-D59 IonicContact NH2-OD2 3.79Å; R5-D59 PolarHBondContact NH2-OD2 3.24Å
6F96.8Very high95.1Very high86 Ų8672.7 Ų72.738%0.37735%0.354SS..  trans-123.8146-176.2-62.7-83.2000110.1M1 F3 E8 R11M1-F6 HydrophobicContact SD-CE2 4.39Å; M1-F6 HydrophobicContact SD-CZ 3.88Å; F3-F6 HydrophobicContact CB-CE1 3.66Å; F3-F6 HydrophobicContact CB-CE2 4.43Å; F3-F6 HydrophobicContact CB-CZ 3.56Å; F3-F6 WeakPolarHBondContact O-CE2 3.39Å; F3-F6 VanDerWaalsContact O-CZ 3.27Å; F3-F6 WeakPolarHBondContact O-CZ 3.48Å; F6-E8 PolarHBondContact O-N 3.14Å; F6-E8 VanDerWaalsContact O-N 3.16Å; F6-R11 WeakPolarHBondContact O-CD 3.33Å; F6-R11 PolarHBondContact O-NE 3.38Å
7V97.3Very high95.1Very high66 Ų6675.4 Ų75.440%0.436%0.364SS..  trans-67.3113.6166.5172.30000107I27 V30 F52 L57V7-I27 HydrophobicContact CG1-CD1 4.29Å; V7-V30 HydrophobicContact CG1-CG2 3.91Å; V7-F52 HydrophobicContact CB-CE1 4.4Å; V7-F52 HydrophobicContact CG1-CD1 4.42Å; V7-F52 HydrophobicContact CG1-CE1 3.49Å; V7-F52 VanDerWaalsContact CG1-CE1 3.49Å; V7-F52 HydrophobicContact CG1-CZ 3.56Å; V7-F52 HydrophobicContact CG2-CD1 4.1Å; V7-F52 HydrophobicContact CG2-CE1 3.96Å; V7-F52 HydrophobicContact CG2-CZ 4.44Å; V7-L57 HydrophobicContact CG2-CD1 4.05Å; V7-L57 HydrophobicContact CG2-CD2 4.44Å
8E96.8Very high95.1Very high72 Ų7273.8 Ų73.834%0.33637%0.37SS..  trans-150.6160-179.567-171.4164.900110.2F6 G10 R11 V61F6-E8 PolarHBondContact O-N 3.14Å; F6-E8 VanDerWaalsContact O-N 3.16Å; E8-G10 PolarHBondContact O-N 2.99Å; E8-R11 HydrophobicContact CG-CB 3.8Å; E8-R11 WeakPolarHBondContact O-CB 3.45Å; E8-R11 PolarHBondContact O-N 2.89Å; E8-R11 VanDerWaalsContact O-N 3.11Å; E8-R11 IonicContact OE1-CZ 2.85Å; E8-R11 VanDerWaalsContact OE1-CZ 3.24Å; E8-R11 IonicContact OE1-NE 3.86Å; E8-R11 PolarHBondContact OE1-NE 3.39Å; E8-R11 VanDerWaalsContact OE1-NE 3.11Å; E8-R11 IonicContact OE1-NH2 3.35Å; E8-R11 PolarHBondContact OE1-NH2 3.44Å; E8-V61 WeakPolarHBondContact OE1-CG2 3.36Å
9I97.5Very high95.1Very high63 Ų6376.8 Ų76.832%0.32340%0.396SS..THydrogen-bonded Turntrans-64.1128.5-180-57.6154.1000109.1R11 V64 H66I9-R11 VanDerWaalsContact C-N 3.32Å; I9-V64 HydrophobicContact CG2-CG2 4.11Å; I9-V64 WeakPolarHBondContact CG2-O 3.31Å; I9-H66 HydrophobicContact CD1-CB 3.89Å
10G96.9Very high95.1Very high0 Ų075.4 Ų75.40%039%0.387CS..THydrogen-bonded Turntrans83.7-2.1-178.100000114.7E8 V12 I27 I62E8-G10 PolarHBondContact O-N 2.99Å; G10-V12 PolarHBondContact O-N 3.4Å; G10-I27 WeakPolarHBondContact CA-O 3.49Å; G10-I27 PolarHBondContact N-O 2.9Å; G10-I62 VanDerWaalsContact CA-O 3.27Å; G10-I62 WeakPolarHBondContact CA-O 3.5Å; G10-I62 WeakPolarHBondContact O-CG1 3.46Å; G10-I62 PolarHBondContact O-N 3.32Å
11R98.1Very high95.1Very high16 Ų1674.3 Ų74.36%0.0639%0.389CS..EExtended strand (participates in β ladder)trans-67.6134.4173.5-177.6161.8-64-101.91.8111.1F6 E8 I9 A26 I27 L57 T58 V61F6-R11 WeakPolarHBondContact O-CD 3.33Å; F6-R11 PolarHBondContact O-NE 3.38Å; E8-R11 HydrophobicContact CG-CB 3.8Å; E8-R11 WeakPolarHBondContact O-CB 3.45Å; E8-R11 PolarHBondContact O-N 2.89Å; E8-R11 VanDerWaalsContact O-N 3.11Å; E8-R11 IonicContact OE1-CZ 2.85Å; E8-R11 VanDerWaalsContact OE1-CZ 3.24Å; E8-R11 IonicContact OE1-NE 3.86Å; E8-R11 PolarHBondContact OE1-NE 3.39Å; E8-R11 VanDerWaalsContact OE1-NE 3.11Å; E8-R11 IonicContact OE1-NH2 3.35Å; E8-R11 PolarHBondContact OE1-NH2 3.44Å; I9-R11 VanDerWaalsContact C-N 3.32Å; R11-A26 WeakPolarHBondContact O-CA 3.48Å; R11-I27 HydrophobicContact CB-CD1 4.5Å; R11-I27 PolarHBondContact O-N 3.19Å; R11-L57 HydrophobicContact CG-CD2 4.35Å; R11-T58 PolarHBondContact NH1-O 3.44Å; R11-V61 HydrophobicContact CB-CG2 4.48Å; R11-V61 HydrophobicContact CG-CG2 4.5Å
12V97.8Very high96.3Very high0 Ų066.4 Ų66.40%036%0.361CS..EExtended strand (participates in β ladder)trans-84132.4174.8179.50000109.5G10 L24 V25 T58 Y60 I62 W77 V82G10-V12 PolarHBondContact O-N 3.4Å; V12-L24 HydrophobicContact CG1-CB 4.17Å; V12-L24 HydrophobicContact CG1-CD1 4.46Å; V12-L24 HydrophobicContact CG1-CD2 4.22Å; V12-V25 CarbonylContact C-O 3.57Å; V12-V25 VanDerWaalsContact CA-O 3.28Å; V12-V25 WeakPolarHBondContact CA-O 3.35Å; V12-T58 WeakPolarHBondContact CB-OG1 3.41Å; V12-T58 HydrophobicContact CG1-CG2 4.49Å; V12-T58 WeakPolarHBondContact O-CB 3.28Å; V12-T58 PolarHBondContact O-N 2.97Å; V12-T58 PolarHBondContact O-OG1 3.08Å; V12-Y60 PolarHBondContact N-O 2.96Å; V12-I62 HydrophobicContact CG2-CG2 4.47Å; V12-W77 HydrophobicContact CG1-CH2 3.67Å; V12-W77 HydrophobicContact CG1-CZ2 4.44Å; V12-W77 HydrophobicContact CG1-CZ3 4.15Å; V12-W77 HydrophobicContact CG2-CE3 4.39Å; V12-W77 HydrophobicContact CG2-CH2 4.12Å; V12-W77 HydrophobicContact CG2-CZ3 3.81Å; V12-V82 HydrophobicContact CG1-CG1 4.06Å; V12-V82 HydrophobicContact CG2-CG1 4Å; V12-V82 HydrophobicContact CG2-CG2 4.36Å
13A98.1Very high96.4Very high0 Ų063.6 Ų63.60%034%0.338CS..EExtended strand (participates in β ladder)trans-124.3146.4176.600000110.7L24 V25 M55 Q56 L57A13-L24 WeakPolarHBondContact O-CA 3.48Å; A13-V25 HydrophobicContact CB-CG2 4.34Å; A13-V25 PolarHBondContact N-O 3.01Å; A13-V25 PolarHBondContact O-N 3.15Å; A13-M55 HydrophobicContact CB-CB 3.99Å; A13-M55 HydrophobicContact CB-CG 4.16Å; A13-M55 HydrophobicContact CB-SD 3.9Å; A13-Q56 WeakPolarHBondContact CA-O 3.38Å; A13-L57 HydrophobicContact CB-CD2 4.22Å
14Y98Very high96.6Very high28 Ų2856.6 Ų56.611%0.1131%0.308CS..EExtended strand (participates in β ladder)trans-95.7128.1172.8173.6-99.8000109.8S16 G22 L24 M55 Q56 W86 W91 I95Y14-S16 PolarHBondContact O-N 2.92Å; Y14-G22 WeakPolarHBondContact CE2-O 3.22Å; Y14-G22 WeakPolarHBondContact OH-CA 3.45Å; Y14-L24 HydrophobicContact CD2-CD2 4.05Å; Y14-M55 CarbonylContact O-C 3.56Å; Y14-M55 WeakPolarHBondContact O-CA 3.45Å; Y14-Q56 PolarHBondContact N-O 3.1Å; Y14-Q56 PolarHBondContact O-N 2.63Å; Y14-W86 AromaticContact CD2-CH2 3.82Å; Y14-W86 HydrophobicContact CD2-CH2 3.82Å; Y14-W86 AromaticContact CD2-CZ2 3.52Å; Y14-W86 HydrophobicContact CD2-CZ2 3.52Å; Y14-W86 AromaticContact CE2-CZ2 3.91Å; Y14-W86 HydrophobicContact CE2-CZ2 3.91Å; Y14-W86 HydrophobicContact CG-CH2 4.01Å; Y14-W86 HydrophobicContact CG-CZ2 4.19Å; Y14-W91 HydrophobicContact CD1-CH2 4.44Å; Y14-W91 AromaticContact CD1-CZ2 3.88Å; Y14-W91 HydrophobicContact CD1-CZ2 3.88Å; Y14-W91 HydrophobicContact CG-CZ2 4.27Å; Y14-I95 HydrophobicContact CE1-CD1 4.38Å; Y14-I95 HydrophobicContact CE2-CD1 3.97Å
15I97.8Very high96.8Very high2 Ų248 Ų481%0.0127%0.27CS..EExtended strand (participates in β ladder)trans-82.3116179.4-53.3175.7000108.7F17 H20 G22 K23 V25 V45 M50I15-F17 WeakPolarHBondContact CG2-O 3.4Å; I15-H20 WeakPolarHBondContact CB-O 3.29Å; I15-H20 HydrophobicContact CD1-CB 3.58Å; I15-G22 PolarHBondContact O-N 3.08Å; I15-K23 HydrophobicContact CD1-CB 4.47Å; I15-K23 PolarHBondContact N-O 3.37Å; I15-V25 HydrophobicContact CD1-CG1 3.74Å; I15-V25 HydrophobicContact CD1-CG2 4.19Å; I15-V25 HydrophobicContact CG1-CG1 4.39Å; I15-V25 HydrophobicContact CG1-CG2 3.98Å; I15-V45 HydrophobicContact CD1-CG2 4.32Å; I15-M50 HydrophobicContact CD1-CE 3.73Å; I15-M50 HydrophobicContact CD1-SD 3.77Å; I15-M50 HydrophobicContact CG1-SD 3.96Å
16S96.3Very high96.8Very high51 Ų5143.1 Ų43.136%0.35725%0.252SS..  trans-82.2-37-175.7-172.60000113.1Y14 C54Y14-S16 PolarHBondContact O-N 2.92Å; S16-C54 PolarHBondContact N-O 3.15Å
17F95.8Very high96.9Very high119 Ų11939 Ų3952%0.52223%0.234SC..SBendtrans-150.1165.8-177.260.7-96.1000111.5I15 K53 C54I15-F17 WeakPolarHBondContact CG2-O 3.4Å; F17-K53 VanDerWaalsContact CE1-O 3.26Å; F17-K53 WeakPolarHBondContact CE1-O 3.27Å; F17-K53 WeakPolarHBondContact CZ-O 3Å; F17-C54 HydrophobicContact CD1-CB 4.42Å; F17-C54 HydrophobicContact CD2-CB 3.9Å; F17-C54 HydrophobicContact CE1-CB 4.11Å; F17-C54 HydrophobicContact CE2-CB 3.53Å; F17-C54 HydrophobicContact CG-CB 4.34Å; F17-C54 VanDerWaalsContact CZ-CA 3.47Å; F17-C54 HydrophobicContact CZ-CB 3.65Å
18G95Very high96.9Very high47 Ų4735.9 Ų35.949%0.48522%0.215SC..SBendtrans98.7-169.9-176.200000113.6H20 A21G18-H20 PolarHBondContact O-N 3.33Å; G18-A21 WeakPolarHBondContact O-CB 3.35Å; G18-A21 PolarHBondContact O-N 3.34Å; G18-A21 VanDerWaalsContact O-N 3.09Å
19P94.4Very high97Very high131 Ų13133.8 Ų33.885%0.85121%0.206SC*.THydrogen-bonded Turntrans-61.6-20.6-171.2-2534.5000115
20H95.8Very high97Very high47 Ų4734 Ų3422%0.21821%0.21CC..THydrogen-bonded Turntrans-117.223-179.2-58.4-51.7000112.9I15 G18 G22 K23 V45 Q48I15-H20 WeakPolarHBondContact CB-O 3.29Å; I15-H20 HydrophobicContact CD1-CB 3.58Å; G18-H20 PolarHBondContact O-N 3.33Å; H20-G22 PolarHBondContact O-N 3.35Å; H20-K23 HydrophobicContact CB-CD 4.25Å; H20-K23 WeakPolarHBondContact O-CB 3.25Å; H20-K23 PolarHBondContact O-N 3.07Å; H20-V45 HydrophobicContact CB-CG2 4.04Å; H20-Q48 PolarHBondContact CD2-NE2 3.38Å; H20-Q48 PolarHBondContact NE2-NE2 3.04Å
21A95.6Very high97Very high53 Ų5337.9 Ų37.944%0.43823%0.23SC..THydrogen-bonded Turntrans-50.9137.4177.500000111.6G18G18-A21 WeakPolarHBondContact O-CB 3.35Å; G18-A21 PolarHBondContact O-N 3.34Å; G18-A21 VanDerWaalsContact O-N 3.09Å
22G95.5Very high96.9Very high42 Ų4239.6 Ų39.643%0.43324%0.24SC..THydrogen-bonded Turntrans88.6-6.3-179.100000115.5Y14 I15 H20Y14-G22 WeakPolarHBondContact CE2-O 3.22Å; Y14-G22 WeakPolarHBondContact OH-CA 3.45Å; I15-G22 PolarHBondContact O-N 3.08Å; H20-G22 PolarHBondContact O-N 3.35Å
23K97Very high96.9Very high75 Ų7548 Ų4833%0.32628%0.279SS..  trans-97.2158.9-179.6-61.4-177.1172.7-162.70112.1I15 H20 T43 G44 V45I15-K23 HydrophobicContact CD1-CB 4.47Å; I15-K23 PolarHBondContact N-O 3.37Å; H20-K23 HydrophobicContact CB-CD 4.25Å; H20-K23 WeakPolarHBondContact O-CB 3.25Å; H20-K23 PolarHBondContact O-N 3.07Å; K23-T43 WeakPolarHBondContact CD-O 3.36Å; K23-T43 WeakPolarHBondContact CE-O 3.5Å; K23-T43 PolarHBondContact NZ-O 3.46Å; K23-G44 PolarHBondContact NZ-O 3.47Å; K23-G44 VanDerWaalsContact NZ-O 3.16Å; K23-V45 HydrophobicContact CB-CG2 3.82Å; K23-V45 HydrophobicContact CD-CG2 3.47Å; K23-V45 VanDerWaalsContact CD-CG2 3.47Å; K23-V45 HydrophobicContact CG-CG2 4.3Å
24L97.5Very high96.8Very high7 Ų752.7 Ų52.74%0.03730%0.304CS..EExtended strand (participates in β ladder)trans-99.2146.6170.6-59.9172.4000110.9V12 A13 Y14 T43 T58 W77 V82 W86V12-L24 HydrophobicContact CG1-CB 4.17Å; V12-L24 HydrophobicContact CG1-CD1 4.46Å; V12-L24 HydrophobicContact CG1-CD2 4.22Å; A13-L24 WeakPolarHBondContact O-CA 3.48Å; Y14-L24 HydrophobicContact CD2-CD2 4.05Å; L24-T43 HydrophobicContact CB-CG2 4.1Å; L24-T43 WeakPolarHBondContact O-CB 3.39Å; L24-T43 WeakPolarHBondContact O-CG2 3.16Å; L24-T43 PolarHBondContact O-OG1 2.87Å; L24-T58 HydrophobicContact CD2-CG2 4.38Å; L24-W77 HydrophobicContact CB-CH2 3.68Å; L24-W77 HydrophobicContact CB-CZ2 3.78Å; L24-W77 HydrophobicContact CD1-CZ2 4.16Å; L24-V82 HydrophobicContact CD1-CG1 4.32Å; L24-W86 HydrophobicContact CD1-CB 3.74Å; L24-W86 HydrophobicContact CD1-CD2 3.87Å; L24-W86 HydrophobicContact CD1-CE3 4.43Å; L24-W86 HydrophobicContact CD1-CG 3.53Å; L24-W86 HydrophobicContact CD2-CD2 3.88Å; L24-W86 HydrophobicContact CD2-CE3 3.96Å; L24-W86 HydrophobicContact CD2-CG 4.44Å; L24-W86 HydrophobicContact CD2-CH2 4.22Å; L24-W86 HydrophobicContact CD2-CZ2 4.12Å; L24-W86 HydrophobicContact CD2-CZ3 4.14Å; L24-W86 HydrophobicContact CG-CD2 4.29Å; L24-W86 HydrophobicContact CG-CG 4.36Å
25V97.8Very high96.8Very high0 Ų056.8 Ų56.80%032%0.32CS..EExtended strand (participates in β ladder)trans-139.1154.8174.7-72.60000110.6V12 A13 I15 V38 V45V12-V25 CarbonylContact C-O 3.57Å; V12-V25 VanDerWaalsContact CA-O 3.28Å; V12-V25 WeakPolarHBondContact CA-O 3.35Å; A13-V25 HydrophobicContact CB-CG2 4.34Å; A13-V25 PolarHBondContact N-O 3.01Å; A13-V25 PolarHBondContact O-N 3.15Å; I15-V25 HydrophobicContact CD1-CG1 3.74Å; I15-V25 HydrophobicContact CD1-CG2 4.19Å; I15-V25 HydrophobicContact CG1-CG1 4.39Å; I15-V25 HydrophobicContact CG1-CG2 3.98Å; V25-V38 HydrophobicContact CB-CB 4.08Å; V25-V38 HydrophobicContact CB-CG2 4.39Å; V25-V38 HydrophobicContact CG1-CG2 4.38Å; V25-V38 HydrophobicContact CG2-CB 4.13Å; V25-V38 HydrophobicContact CG2-CG1 4.31Å; V25-V38 HydrophobicContact CG2-CG2 4.4Å; V25-V45 HydrophobicContact CG1-CB 3.79Å; V25-V45 HydrophobicContact CG1-CG1 3.75Å; V25-V45 HydrophobicContact CG1-CG2 3.92Å
26A97.9Very high96.8Very high0 Ų056.7 Ų56.70%032%0.319CS..EExtended strand (participates in β ladder)trans-98.7137.3167.100000109.5R11 V28 V38 D39 I62 V73 W77R11-A26 WeakPolarHBondContact O-CA 3.48Å; A26-V28 PolarHBondContact O-N 3.31Å; A26-V38 CarbonylContact O-C 3.35Å; A26-V38 VanDerWaalsContact O-CA 3.27Å; A26-V38 WeakPolarHBondContact O-CA 3.22Å; A26-D39 PolarHBondContact N-O 3.13Å; A26-D39 PolarHBondContact O-N 3.34Å; A26-I62 HydrophobicContact CB-CD1 3.82Å; A26-I62 HydrophobicContact CB-CG1 4.31Å; A26-V73 HydrophobicContact CB-CG1 4.2Å; A26-W77 HydrophobicContact CB-CE3 4.1Å; A26-W77 HydrophobicContact CB-CZ3 3.75Å
27I98.1Very high96.9Very high0 Ų056.2 Ų56.20%031%0.312CS..EExtended strand (participates in β ladder)trans-72.6121.7167.3-64.5166.3000107.3V7 G10 R11 A36 V38 F52 M55 L57V7-I27 HydrophobicContact CG1-CD1 4.29Å; G10-I27 WeakPolarHBondContact CA-O 3.49Å; G10-I27 PolarHBondContact N-O 2.9Å; R11-I27 HydrophobicContact CB-CD1 4.5Å; R11-I27 PolarHBondContact O-N 3.19Å; I27-A36 HydrophobicContact CG1-CB 4.44Å; I27-A36 HydrophobicContact CG2-CB 4Å; I27-V38 HydrophobicContact CG1-CG1 4.34Å; I27-F52 HydrophobicContact CD1-CE1 4.44Å; I27-M55 HydrophobicContact CD1-SD 4.3Å; I27-M55 HydrophobicContact CG1-SD 4.33Å; I27-L57 HydrophobicContact CD1-CD2 3.84Å
28V97.7Very high97Very high0 Ų050.5 Ų50.50%029%0.288CS..EExtended strand (participates in β ladder)trans-101.8-33-179.1-179.70000110.9A26 L37 D39 S67 V73A26-V28 PolarHBondContact O-N 3.31Å; V28-L37 PolarHBondContact N-O 3.04Å; V28-D39 HydrophobicContact CG2-CB 3.7Å; V28-S67 PolarHBondContact O-N 2.98Å; V28-V73 HydrophobicContact CG2-CG2 4.18Å
29D97.7Very high97.1Very high28 Ų2848.3 Ų48.315%0.1526%0.264CS..EExtended strand (participates in β ladder)trans-155.5155.9-174.4-151.6-41000109.6A36 L37 H66 S67D29-A36 CarbonylContact O-C 3.51Å; D29-A36 WeakPolarHBondContact O-CA 3.48Å; D29-A36 WeakPolarHBondContact O-CB 3.27Å; D29-L37 HydrophobicContact CB-CB 3.66Å; D29-L37 HydrophobicContact CB-CD2 4.04Å; D29-L37 HydrophobicContact CB-CG 4.48Å; D29-L37 PolarHBondContact N-O 3.43Å; D29-L37 PolarHBondContact O-N 3.35Å; D29-H66 IonicContact OD1-CD2 2.73Å; D29-H66 IonicContact OD1-CE1 3.78Å; D29-H66 PolarHBondContact OD1-CE1 3.2Å; D29-H66 VanDerWaalsContact OD1-CE1 3.3Å; D29-H66 IonicContact OD1-NE2 2.65Å; D29-H66 PolarHBondContact OD1-NE2 2.87Å; D29-H66 IonicContact OD2-CE1 2.75Å; D29-H66 PolarHBondContact OD2-CE1 3.37Å; D29-H66 IonicContact OD2-ND1 3.34Å; D29-H66 IonicContact OD2-NE2 3.63Å; D29-H66 PolarHBondContact OD2-NE2 3.1Å; D29-S67 PolarHBondContact OD2-OG 3.47Å
30V97.4Very high97.1Very high68 Ų6842 Ų4241%0.41222%0.224SC..EExtended strand (participates in β ladder)trans-110.5112.5175.7178.90000107.9V7 F52V7-V30 HydrophobicContact CG1-CG2 3.91Å; V30-F52 HydrophobicContact CG1-CZ 4.18Å
31I97Very high97Very high81 Ų8140.4 Ų40.442%0.41522%0.217SC..EExtended strand (participates in β ladder)trans-79.1-51.4-175.3-59.7168.7000109.5R35 L37 A49I31-R35 HydrophobicContact CB-CB 4.41Å; I31-R35 PolarHBondContact N-O 3.32Å; I31-L37 HydrophobicContact CD1-CB 4.34Å; I31-L37 HydrophobicContact CG1-CB 4.37Å; I31-A49 HydrophobicContact CD1-CB 3.51Å
32D96.8Very high96.9Very high52 Ų5239.7 Ų39.728%0.27821%0.209SC..EExtended strand (participates in β ladder)trans-152.7-178.1179.56049.7000109.4N34 R35D32-N34 PolarHBondContact O-N 3.47Å; D32-N34 VanDerWaalsContact O-N 3.08Å; D32-N34 WeakPolarHBondContact OD1-CA 3.23Å; D32-N34 PolarHBondContact OD1-N 2.93Å; D32-R35 PolarHBondContact N-O 3.2Å; D32-R35 PolarHBondContact O-N 3.13Å; D32-R35 VanDerWaalsContact O-O 3.06Å; D32-R35 WeakPolarHBondContact OD1-CB 3.45Å; D32-R35 PolarHBondContact OD1-N 3.01Å; D32-R35 IonicContact OD1-NE 3.36Å; D32-R35 IonicContact OD2-CZ 2.7Å; D32-R35 IonicContact OD2-NE 3.97Å; D32-R35 PolarHBondContact OD2-NE 3.42Å; D32-R35 IonicContact OD2-NH2 3.15Å; D32-R35 PolarHBondContact OD2-NH2 3.13Å
33Q97.2Very high96.7Very high176 Ų17639.1 Ų39.182%0.82220%0.197SC*.THydrogen-bonded Turntrans-58.3-24.9-179.3-172.9177.86.600113.6F52Q33-F52 VanDerWaalsContact O-CD2 3.23Å; Q33-F52 WeakPolarHBondContact O-CD2 3.32Å; Q33-F52 WeakPolarHBondContact O-CE2 3.2Å
34N97.4Very high96.5Very high99 Ų9938.1 Ų38.153%0.52921%0.208SC..THydrogen-bonded Turntrans-106.9-15.4-172.8-67.9-39.6000113.3D32 P51 F52D32-N34 PolarHBondContact O-N 3.47Å; D32-N34 VanDerWaalsContact O-N 3.08Å; D32-N34 WeakPolarHBondContact OD1-CA 3.23Å; D32-N34 PolarHBondContact OD1-N 2.93Å; N34-P51 CarbonylContact O-C 3.59Å; N34-P51 WeakPolarHBondContact O-CA 3.19Å; N34-F52 WeakPolarHBondContact O-CD2 3.02Å; N34-F52 PolarHBondContact O-N 3.11Å
35R97.6Very high96.4Very high114 Ų11437.8 Ų37.843%0.4321%0.206SC..EExtended strand (participates in β ladder)trans-137143.7-171.4-60.1-177.1-65.1175.22112.8I31 D32 M50I31-R35 HydrophobicContact CB-CB 4.41Å; I31-R35 PolarHBondContact N-O 3.32Å; D32-R35 PolarHBondContact N-O 3.2Å; D32-R35 PolarHBondContact O-N 3.13Å; D32-R35 VanDerWaalsContact O-O 3.06Å; D32-R35 WeakPolarHBondContact OD1-CB 3.45Å; D32-R35 PolarHBondContact OD1-N 3.01Å; D32-R35 IonicContact OD1-NE 3.36Å; D32-R35 IonicContact OD2-CZ 2.7Å; D32-R35 IonicContact OD2-NE 3.97Å; D32-R35 PolarHBondContact OD2-NE 3.42Å; D32-R35 IonicContact OD2-NH2 3.15Å; D32-R35 PolarHBondContact OD2-NH2 3.13Å; R35-M50 WeakPolarHBondContact CA-O 3.46Å
36A97.8Very high96.3Very high0 Ų046 Ų460%024%0.242CC..EExtended strand (participates in β ladder)trans-119.7154.3169.500000111.3I27 D29 V38 A49 M50 F52I27-A36 HydrophobicContact CG1-CB 4.44Å; I27-A36 HydrophobicContact CG2-CB 4Å; D29-A36 CarbonylContact O-C 3.51Å; D29-A36 WeakPolarHBondContact O-CA 3.48Å; D29-A36 WeakPolarHBondContact O-CB 3.27Å; A36-V38 HydrophobicContact CB-CG1 4.14Å; A36-A49 CarbonylContact O-C 3.52Å; A36-A49 WeakPolarHBondContact O-CA 3.47Å; A36-M50 PolarHBondContact N-O 3.13Å; A36-M50 PolarHBondContact O-N 3.17Å; A36-F52 HydrophobicContact CB-CD1 4.3Å; A36-F52 HydrophobicContact CB-CE1 3.38Å; A36-F52 HydrophobicContact CB-CZ 3.6Å
37L97.9Very high96.3Very high41 Ų4150 Ų5022%0.21526%0.257CS..EExtended strand (participates in β ladder)trans-80.2122.1161-17267000107.9V28 D29 I31 R47V28-L37 PolarHBondContact N-O 3.04Å; D29-L37 HydrophobicContact CB-CB 3.66Å; D29-L37 HydrophobicContact CB-CD2 4.04Å; D29-L37 HydrophobicContact CB-CG 4.48Å; D29-L37 PolarHBondContact N-O 3.43Å; D29-L37 PolarHBondContact O-N 3.35Å; I31-L37 HydrophobicContact CD1-CB 4.34Å; I31-L37 HydrophobicContact CG1-CB 4.37Å; L37-R47 HydrophobicContact CD1-CG 3.97Å; L37-R47 HydrophobicContact CG-CG 4.25Å
38V97.4Very high96.2Very high0 Ų053.2 Ų53.20%027%0.272CS..EExtended strand (participates in β ladder)trans-121.3154.4-178.4-580000111.6V25 A26 I27 A36 R47 Q48 M50 M55V25-V38 HydrophobicContact CB-CB 4.08Å; V25-V38 HydrophobicContact CB-CG2 4.39Å; V25-V38 HydrophobicContact CG1-CG2 4.38Å; V25-V38 HydrophobicContact CG2-CB 4.13Å; V25-V38 HydrophobicContact CG2-CG1 4.31Å; V25-V38 HydrophobicContact CG2-CG2 4.4Å; A26-V38 CarbonylContact O-C 3.35Å; A26-V38 VanDerWaalsContact O-CA 3.27Å; A26-V38 WeakPolarHBondContact O-CA 3.22Å; I27-V38 HydrophobicContact CG1-CG1 4.34Å; A36-V38 HydrophobicContact CB-CG1 4.14Å; V38-R47 VanDerWaalsContact O-CA 3.3Å; V38-R47 WeakPolarHBondContact O-CA 3.39Å; V38-Q48 HydrophobicContact CG2-CG 4.43Å; V38-Q48 PolarHBondContact N-O 3.49Å; V38-Q48 PolarHBondContact O-N 3.44Å; V38-Q48 VanDerWaalsContact O-N 3.16Å; V38-M50 HydrophobicContact CG1-CB 4.13Å; V38-M50 HydrophobicContact CG2-CB 3.61Å; V38-M50 HydrophobicContact CG2-CE 3.51Å; V38-M50 HydrophobicContact CG2-CG 4.39Å; V38-M50 HydrophobicContact CG2-SD 3.96Å; V38-M55 HydrophobicContact CG1-CE 3.83Å; V38-M55 HydrophobicContact CG1-SD 4.48Å
39D97.3Very high96.2Very high0 Ų055.7 Ų55.70%029%0.293CS..EExtended strand (participates in β ladder)trans-141.9133.9177.3-160.6-11.2000110.4A26 V28 R47 Q70 V73A26-D39 PolarHBondContact N-O 3.13Å; A26-D39 PolarHBondContact O-N 3.34Å; V28-D39 HydrophobicContact CG2-CB 3.7Å; D39-R47 IonicContact OD2-CZ 2.65Å; D39-R47 IonicContact OD2-NE 3.82Å; D39-R47 PolarHBondContact OD2-NE 3.37Å; D39-R47 VanDerWaalsContact OD2-NE 3.09Å; D39-R47 IonicContact OD2-NH2 2.71Å; D39-R47 PolarHBondContact OD2-NH2 2.86Å; D39-Q70 PolarHBondContact OD1-NE2 3.48Å; D39-Q70 VanDerWaalsContact OD1-NE2 3.12Å; D39-Q70 WeakPolarHBondContact OD2-CA 3.3Å; D39-Q70 WeakPolarHBondContact OD2-CB 3.4Å; D39-Q70 WeakPolarHBondContact OD2-CG 3.49Å; D39-V73 HydrophobicContact CB-CG1 4.45Å
40G95.6Very high96.2Very high0 Ų054.9 Ų54.90%029%0.288CS..EExtended strand (participates in β ladder)trans-129.167178.800000111.2C42 T43 G44 V45G40-C42 VanDerWaalsContact C-N 3.29Å; G40-C42 PolarHBondContact O-N 3.38Å; G40-T43 WeakPolarHBondContact CA-OG1 3.49Å; G40-T43 PolarHBondContact O-N 3.23Å; G40-T43 PolarHBondContact O-OG1 2.94Å; G40-G44 PolarHBondContact O-N 3.47Å; G40-G44 VanDerWaalsContact O-N 3.09Å; G40-V45 CarbonylContact C-O 3.45Å; G40-V45 WeakPolarHBondContact CA-O 3.41Å; G40-V45 PolarHBondContact N-O 2.94Å; G40-V45 PolarHBondContact O-N 3.28Å
41P93.1Very high96.2Very high12 Ų1254.6 Ų54.68%0.07829%0.288CS..THydrogen-bonded Turntrans-63.7-32.2-171.423.6-33.1000113.6Q70 V73 R74P41-Q70 HydrophobicContact CB-CG 3.92Å; P41-V73 HydrophobicContact CG-CB 4.44Å; P41-V73 HydrophobicContact CG-CG1 4.06Å; P41-R74 HydrophobicContact CB-CB 3.89Å; P41-R74 HydrophobicContact CB-CG 4.38Å; P41-R74 HydrophobicContact CG-CB 3.94Å; P41-R74 PolarHBondContact O-NH2 3.03Å
42C92.9Very high96.2Very high38 Ų3852.6 Ų52.626%0.25728%0.276SS..THydrogen-bonded Turntrans-94.2-8-179.3-54.50000113G40 W77G40-C42 VanDerWaalsContact C-N 3.29Å; G40-C42 PolarHBondContact O-N 3.38Å; C42-W77 HydrophobicContact CB-CG 4.48Å
43T92.3Very high96.2Very high31 Ų3158.4 Ų58.419%0.1930%0.299CS..THydrogen-bonded Turntrans-112.90.5-177.254.20000112.8K23 L24 G40 W77K23-T43 WeakPolarHBondContact CD-O 3.36Å; K23-T43 WeakPolarHBondContact CE-O 3.5Å; K23-T43 PolarHBondContact NZ-O 3.46Å; L24-T43 HydrophobicContact CB-CG2 4.1Å; L24-T43 WeakPolarHBondContact O-CB 3.39Å; L24-T43 WeakPolarHBondContact O-CG2 3.16Å; L24-T43 PolarHBondContact O-OG1 2.87Å; G40-T43 WeakPolarHBondContact CA-OG1 3.49Å; G40-T43 PolarHBondContact O-N 3.23Å; G40-T43 PolarHBondContact O-OG1 2.94Å; T43-W77 HydrophobicContact CG2-CZ2 4.21Å
44G92.3Very high96.2Very high53 Ų5350.8 Ų50.855%0.54626%0.264SS..THydrogen-bonded Turntrans70.333.1179.500000112.9K23 G40K23-G44 PolarHBondContact NZ-O 3.47Å; K23-G44 VanDerWaalsContact NZ-O 3.16Å; G40-G44 PolarHBondContact O-N 3.47Å; G40-G44 VanDerWaalsContact O-N 3.09Å
45V95.9Very high96.1Very high1 Ų146.7 Ų46.71%0.00624%0.243CC..EExtended strand (participates in β ladder)trans-104.9113.8167.5-174.60000107.3I15 H20 K23 V25 G40 M50I15-V45 HydrophobicContact CD1-CG2 4.32Å; H20-V45 HydrophobicContact CB-CG2 4.04Å; K23-V45 HydrophobicContact CB-CG2 3.82Å; K23-V45 HydrophobicContact CD-CG2 3.47Å; K23-V45 VanDerWaalsContact CD-CG2 3.47Å; K23-V45 HydrophobicContact CG-CG2 4.3Å; V25-V45 HydrophobicContact CG1-CB 3.79Å; V25-V45 HydrophobicContact CG1-CG1 3.75Å; V25-V45 HydrophobicContact CG1-CG2 3.92Å; G40-V45 CarbonylContact C-O 3.45Å; G40-V45 WeakPolarHBondContact CA-O 3.41Å; G40-V45 PolarHBondContact N-O 2.94Å; G40-V45 PolarHBondContact O-N 3.28Å; V45-M50 HydrophobicContact CG1-CE 4.35Å
46K95.7Very high96.1Very high173 Ų17345.5 Ų45.575%0.75224%0.242SC*.EExtended strand (participates in β ladder)trans-66.3153.8175.5-70.3-175.9180179.80109.9Q48K46-Q48 PolarHBondContact O-N 3.04Å
47R96.9Very high96.1Very high83 Ų8347.2 Ų47.231%0.31325%0.251SS..EExtended strand (participates in β ladder)trans-59.4123.9176.7-178.3174.2-64.2-153.2-12.1110.5L37 V38 D39 A68L37-R47 HydrophobicContact CD1-CG 3.97Å; L37-R47 HydrophobicContact CG-CG 4.25Å; V38-R47 VanDerWaalsContact O-CA 3.3Å; V38-R47 WeakPolarHBondContact O-CA 3.39Å; D39-R47 IonicContact OD2-CZ 2.65Å; D39-R47 IonicContact OD2-NE 3.82Å; D39-R47 PolarHBondContact OD2-NE 3.37Å; D39-R47 VanDerWaalsContact OD2-NE 3.09Å; D39-R47 IonicContact OD2-NH2 2.71Å; D39-R47 PolarHBondContact OD2-NH2 2.86Å; R47-A68 VanDerWaalsContact CZ-O 3.24Å; R47-A68 PolarHBondContact NH1-O 3.03Å; R47-A68 PolarHBondContact NH2-O 3.28Å
48Q96.8Very high96.1Very high67 Ų6745.4 Ų45.431%0.31324%0.241SC..EExtended strand (participates in β ladder)trans-160164-178.365.8-169.1-26.300111.4H20 V38 K46 M50H20-Q48 PolarHBondContact CD2-NE2 3.38Å; H20-Q48 PolarHBondContact NE2-NE2 3.04Å; V38-Q48 HydrophobicContact CG2-CG 4.43Å; V38-Q48 PolarHBondContact N-O 3.49Å; V38-Q48 PolarHBondContact O-N 3.44Å; V38-Q48 VanDerWaalsContact O-N 3.16Å; K46-Q48 PolarHBondContact O-N 3.04Å; Q48-M50 HydrophobicContact CG-CE 4.29Å
49A97.4Very high96Very high53 Ų5350.2 Ų50.244%0.43827%0.267SS..EExtended strand (participates in β ladder)trans-73.1137.8168.500000110.1I31 A36I31-A49 HydrophobicContact CD1-CB 3.51Å; A36-A49 CarbonylContact O-C 3.52Å; A36-A49 WeakPolarHBondContact O-CA 3.47Å
50M97.4Very high95.9Very high11 Ų1153 Ų535%0.05428%0.278CS..EExtended strand (participates in β ladder)trans-142.3132.3-177.9-166.6171.5-63.400111.4I15 R35 A36 V38 V45 Q48 C54 M55I15-M50 HydrophobicContact CD1-CE 3.73Å; I15-M50 HydrophobicContact CD1-SD 3.77Å; I15-M50 HydrophobicContact CG1-SD 3.96Å; R35-M50 WeakPolarHBondContact CA-O 3.46Å; A36-M50 PolarHBondContact N-O 3.13Å; A36-M50 PolarHBondContact O-N 3.17Å; V38-M50 HydrophobicContact CG1-CB 4.13Å; V38-M50 HydrophobicContact CG2-CB 3.61Å; V38-M50 HydrophobicContact CG2-CE 3.51Å; V38-M50 HydrophobicContact CG2-CG 4.39Å; V38-M50 HydrophobicContact CG2-SD 3.96Å; V45-M50 HydrophobicContact CG1-CE 4.35Å; Q48-M50 HydrophobicContact CG-CE 4.29Å; M50-C54 WeakPolarHBondContact CG-SG 3.47Å; M50-M55 HydrophobicContact CB-CE 3.76Å; M50-M55 HydrophobicContact CG-CE 3.65Å; M50-M55 HydrophobicContact SD-CE 3.95Å
51P97.7Very high96Very high62 Ų6255.9 Ų55.940%0.40330%0.296SS..EExtended strand (participates in β ladder)trans-66.5141.8176.4-20.532.6000112.8N34 K53 C54 M55N34-P51 CarbonylContact O-C 3.59Å; N34-P51 WeakPolarHBondContact O-CA 3.19Å; P51-K53 PolarHBondContact O-N 2.75Å; P51-C54 PolarHBondContact O-N 2.7Å; P51-C54 PolarHBondContact O-SG 2.94Å; P51-M55 WeakPolarHBondContact O-CE 3.47Å
52F97.4Very high96.1Very high38 Ų3855.4 Ų55.417%0.16729%0.292CS..G310 helixtrans-61.5-29.3175.3-66.5-57.8000112.8V7 I27 V30 Q33 N34 A36 C54 M55V7-F52 HydrophobicContact CB-CE1 4.4Å; V7-F52 HydrophobicContact CG1-CD1 4.42Å; V7-F52 HydrophobicContact CG1-CE1 3.49Å; V7-F52 VanDerWaalsContact CG1-CE1 3.49Å; V7-F52 HydrophobicContact CG1-CZ 3.56Å; V7-F52 HydrophobicContact CG2-CD1 4.1Å; V7-F52 HydrophobicContact CG2-CE1 3.96Å; V7-F52 HydrophobicContact CG2-CZ 4.44Å; I27-F52 HydrophobicContact CD1-CE1 4.44Å; V30-F52 HydrophobicContact CG1-CZ 4.18Å; Q33-F52 VanDerWaalsContact O-CD2 3.23Å; Q33-F52 WeakPolarHBondContact O-CD2 3.32Å; Q33-F52 WeakPolarHBondContact O-CE2 3.2Å; N34-F52 WeakPolarHBondContact O-CD2 3.02Å; N34-F52 PolarHBondContact O-N 3.11Å; A36-F52 HydrophobicContact CB-CD1 4.3Å; A36-F52 HydrophobicContact CB-CE1 3.38Å; A36-F52 HydrophobicContact CB-CZ 3.6Å; F52-C54 PolarHBondContact O-N 2.65Å; F52-M55 HydrophobicContact CD1-CE 4.38Å; F52-M55 HydrophobicContact CD1-SD 4.02Å; F52-M55 WeakPolarHBondContact O-CG 3.31Å; F52-M55 PolarHBondContact O-N 2.73Å; F52-M55 VanDerWaalsContact O-N 3.15Å
53K97.1Very high96.3Very high175 Ų17563.4 Ų63.476%0.76132%0.323SS*.G310 helixtrans-59.9-29.7-179.3-67.2-176.3178.7179.40113.7F17 P51F17-K53 VanDerWaalsContact CE1-O 3.26Å; F17-K53 WeakPolarHBondContact CE1-O 3.27Å; F17-K53 WeakPolarHBondContact CZ-O 3Å; P51-K53 PolarHBondContact O-N 2.75Å
54C95.9Very high96.4Very high15 Ų1563 Ų6310%0.10132%0.32CS..G310 helixtrans-91.3-2.4-178.469.30000114S16 F17 M50 P51 F52S16-C54 PolarHBondContact N-O 3.15Å; F17-C54 HydrophobicContact CD1-CB 4.42Å; F17-C54 HydrophobicContact CD2-CB 3.9Å; F17-C54 HydrophobicContact CE1-CB 4.11Å; F17-C54 HydrophobicContact CE2-CB 3.53Å; F17-C54 HydrophobicContact CG-CB 4.34Å; F17-C54 VanDerWaalsContact CZ-CA 3.47Å; F17-C54 HydrophobicContact CZ-CB 3.65Å; M50-C54 WeakPolarHBondContact CG-SG 3.47Å; P51-C54 PolarHBondContact O-N 2.7Å; P51-C54 PolarHBondContact O-SG 2.94Å; F52-C54 PolarHBondContact O-N 2.65Å
55M96.3Very high96.6Very high14 Ų1464.8 Ų64.87%0.06932%0.322CS..EExtended strand (participates in β ladder)trans-120.9148.7-178.570.2-179.779.600111.9A13 Y14 I27 V38 M50 P51 F52A13-M55 HydrophobicContact CB-CB 3.99Å; A13-M55 HydrophobicContact CB-CG 4.16Å; A13-M55 HydrophobicContact CB-SD 3.9Å; Y14-M55 CarbonylContact O-C 3.56Å; Y14-M55 WeakPolarHBondContact O-CA 3.45Å; I27-M55 HydrophobicContact CD1-SD 4.3Å; I27-M55 HydrophobicContact CG1-SD 4.33Å; V38-M55 HydrophobicContact CG1-CE 3.83Å; V38-M55 HydrophobicContact CG1-SD 4.48Å; M50-M55 HydrophobicContact CB-CE 3.76Å; M50-M55 HydrophobicContact CG-CE 3.65Å; M50-M55 HydrophobicContact SD-CE 3.95Å; P51-M55 WeakPolarHBondContact O-CE 3.47Å; F52-M55 HydrophobicContact CD1-CE 4.38Å; F52-M55 HydrophobicContact CD1-SD 4.02Å; F52-M55 WeakPolarHBondContact O-CG 3.31Å; F52-M55 PolarHBondContact O-N 2.73Å; F52-M55 VanDerWaalsContact O-N 3.15Å
56Q97.4Very high96.5Very high89 Ų8969.8 Ų69.842%0.41635%0.345SS..EExtended strand (participates in β ladder)trans-119.3122.1178-66.6179-25.100108.4A13 Y14 T58 W91A13-Q56 WeakPolarHBondContact CA-O 3.38Å; Y14-Q56 PolarHBondContact N-O 3.1Å; Y14-Q56 PolarHBondContact O-N 2.63Å; Q56-T58 PolarHBondContact O-N 3.41Å; Q56-W91 HydrophobicContact CB-CH2 3.83Å; Q56-W91 HydrophobicContact CB-CZ2 4.34Å; Q56-W91 VanDerWaalsContact OE1-CZ2 3.27Å
57L97.7Very high96.4Very high36 Ų3664.3 Ų64.319%0.18833%0.328CS..EExtended strand (participates in β ladder)trans-64.8134.9-177.7-59.9-178000111R5 V7 R11 A13 I27R5-L57 HydrophobicContact CB-CB 4.11Å; R5-L57 HydrophobicContact CB-CD1 4.25Å; R5-L57 VanDerWaalsContact CD-O 3.32Å; R5-L57 WeakPolarHBondContact CD-O 3.37Å; R5-L57 PolarHBondContact NH1-O 3.46Å; V7-L57 HydrophobicContact CG2-CD1 4.05Å; V7-L57 HydrophobicContact CG2-CD2 4.44Å; R11-L57 HydrophobicContact CG-CD2 4.35Å; A13-L57 HydrophobicContact CB-CD2 4.22Å; I27-L57 HydrophobicContact CD1-CD2 3.84Å
58T97.1Very high96.4Very high2 Ų260.7 Ų60.71%0.01232%0.316CS..EExtended strand (participates in β ladder)trans-96.9174.8171.6760000110.3R11 V12 L24 Q56 Y60 W86 W91R11-T58 PolarHBondContact NH1-O 3.44Å; V12-T58 WeakPolarHBondContact CB-OG1 3.41Å; V12-T58 HydrophobicContact CG1-CG2 4.49Å; V12-T58 WeakPolarHBondContact O-CB 3.28Å; V12-T58 PolarHBondContact O-N 2.97Å; V12-T58 PolarHBondContact O-OG1 3.08Å; L24-T58 HydrophobicContact CD2-CG2 4.38Å; Q56-T58 PolarHBondContact O-N 3.41Å; T58-Y60 VanDerWaalsContact C-N 3.26Å; T58-Y60 PolarHBondContact OG1-N 3.33Å; T58-W86 HydrophobicContact CG2-CE3 4.4Å; T58-W86 HydrophobicContact CG2-CZ3 3.85Å; T58-W91 HydrophobicContact CG2-CZ3 4.11Å
59D95.2Very high96.3Very high102 Ų10266.7 Ų66.755%0.54534%0.336SS..EExtended strand (participates in β ladder)trans-79.9-9.1175.7-60.7-50.1000113R5R5-D59 IonicContact CZ-OD1 3.57Å; R5-D59 IonicContact CZ-OD2 3.3Å; R5-D59 IonicContact NE-OD1 3.96Å; R5-D59 PolarHBondContact NE-OD1 3.01Å; R5-D59 IonicContact NE-OD2 2.94Å; R5-D59 VanDerWaalsContact NH2-CG 3.28Å; R5-D59 IonicContact NH2-OD1 3.2Å; R5-D59 PolarHBondContact NH2-OD1 3.13Å; R5-D59 VanDerWaalsContact NH2-OD1 3.15Å; R5-D59 IonicContact NH2-OD2 3.79Å; R5-D59 PolarHBondContact NH2-OD2 3.24Å
60Y96.2Very high96.3Very high57 Ų5768 Ų6822%0.22433%0.333CS..EExtended strand (participates in β ladder)trans-85.7135.1-175.6-49.1-59.8000111.8V12 T58 K85 W86V12-Y60 PolarHBondContact N-O 2.96Å; T58-Y60 VanDerWaalsContact C-N 3.26Å; T58-Y60 PolarHBondContact OG1-N 3.33Å; Y60-K85 HydrophobicContact CD1-CB 4.48Å; Y60-K85 HydrophobicContact CE1-CB 3.78Å; Y60-K85 HydrophobicContact CE1-CD 4.35Å; Y60-K85 PolarHBondContact OH-O 3.03Å; Y60-W86 HydrophobicContact CE2-CB 4.44Å; Y60-W86 HydrophobicContact CE2-CE3 4.11Å
61V97Very high96.2Very high62 Ų6273.9 Ų73.938%0.37636%0.359SS..EExtended strand (participates in β ladder)trans-131.6124.8176.1-173.60000108.1E8 R11E8-V61 WeakPolarHBondContact OE1-CG2 3.36Å; R11-V61 HydrophobicContact CB-CG2 4.48Å; R11-V61 HydrophobicContact CG-CG2 4.5Å
62I96.4Very high96.1Very high2 Ų276.1 Ų76.11%0.0136%0.362CS..  trans-96.1137.6171.457.9163.9000109.2G10 V12 A26 V64 V73 A76 W77 A80 V82G10-I62 VanDerWaalsContact CA-O 3.27Å; G10-I62 WeakPolarHBondContact CA-O 3.5Å; G10-I62 WeakPolarHBondContact O-CG1 3.46Å; G10-I62 PolarHBondContact O-N 3.32Å; V12-I62 HydrophobicContact CG2-CG2 4.47Å; A26-I62 HydrophobicContact CB-CD1 3.82Å; A26-I62 HydrophobicContact CB-CG1 4.31Å; I62-V64 HydrophobicContact CD1-CG1 3.98Å; I62-V64 HydrophobicContact CG1-CG1 4.34Å; I62-V64 HydrophobicContact CG1-CG2 4.48Å; I62-V64 PolarHBondContact O-N 2.91Å; I62-V73 HydrophobicContact CD1-CG1 3.98Å; I62-A76 HydrophobicContact CB-CB 4.32Å; I62-A76 HydrophobicContact CD1-CB 4.27Å; I62-W77 HydrophobicContact CD1-CE3 4.17Å; I62-A80 HydrophobicContact CG2-CB 3.81Å; I62-V82 HydrophobicContact CG2-CG2 3.68Å
63K95.5Very high96.1Very high206 Ų20674.3 Ų74.390%0.89635%0.354SS*.  trans-80.6104.1178.4-65-173.7179.2-174.60109.5
64V95.4Very high96.1Very high21 Ų2171 Ų7113%0.12734%0.337CS..  trans-136.5146.5174.7-65.50000109.8I9 I62 A68 A76I9-V64 HydrophobicContact CG2-CG2 4.11Å; I9-V64 WeakPolarHBondContact CG2-O 3.31Å; I62-V64 HydrophobicContact CD1-CG1 3.98Å; I62-V64 HydrophobicContact CG1-CG1 4.34Å; I62-V64 HydrophobicContact CG1-CG2 4.48Å; I62-V64 PolarHBondContact O-N 2.91Å; V64-A68 HydrophobicContact CB-CB 4.2Å; V64-A76 HydrophobicContact CG1-CB 3.57Å
65P95.6Very high96.1Very high91 Ų9176.9 Ų76.959%0.59136%0.357SS*.  trans-69.3159.5172.828.6-32.6000111A68P65-A68 HydrophobicContact CG-CB 3.97Å; P65-A68 VanDerWaalsContact O-CB 3.31Å; P65-A68 WeakPolarHBondContact O-CB 3.43Å; P65-A68 PolarHBondContact O-N 2.89Å
66H95.4Very high96.1Very high107 Ų10777.1 Ų77.150%0.49536%0.361SS..THydrogen-bonded Turntrans-51.5137.4171.2-173.3-93.3000111.2I9 D29 A68I9-H66 HydrophobicContact CD1-CB 3.89Å; D29-H66 IonicContact OD1-CD2 2.73Å; D29-H66 IonicContact OD1-CE1 3.78Å; D29-H66 PolarHBondContact OD1-CE1 3.2Å; D29-H66 VanDerWaalsContact OD1-CE1 3.3Å; D29-H66 IonicContact OD1-NE2 2.65Å; D29-H66 PolarHBondContact OD1-NE2 2.87Å; D29-H66 IonicContact OD2-CE1 2.75Å; D29-H66 PolarHBondContact OD2-CE1 3.37Å; D29-H66 IonicContact OD2-ND1 3.34Å; D29-H66 IonicContact OD2-NE2 3.63Å; D29-H66 PolarHBondContact OD2-NE2 3.1Å; H66-A68 PolarHBondContact O-N 3.44Å; H66-A68 VanDerWaalsContact O-N 3.08Å
67S93.7Very high96.1Very high57 Ų5773 Ų7340%0.39934%0.342SS..THydrogen-bonded Turntrans55.522.7-179.4-37.40000115.5V28 D29V28-S67 PolarHBondContact O-N 2.98Å; D29-S67 PolarHBondContact OD2-OG 3.47Å
68A95.3Very high96Very high7 Ų776.2 Ų76.26%0.05836%0.356CS..  trans-51.2142.6-179.800000112.9R47 V64 P65 H66 F72 V73R47-A68 VanDerWaalsContact CZ-O 3.24Å; R47-A68 PolarHBondContact NH1-O 3.03Å; R47-A68 PolarHBondContact NH2-O 3.28Å; V64-A68 HydrophobicContact CB-CB 4.2Å; P65-A68 HydrophobicContact CG-CB 3.97Å; P65-A68 VanDerWaalsContact O-CB 3.31Å; P65-A68 WeakPolarHBondContact O-CB 3.43Å; P65-A68 PolarHBondContact O-N 2.89Å; H66-A68 PolarHBondContact O-N 3.44Å; H66-A68 VanDerWaalsContact O-N 3.08Å; A68-F72 HydrophobicContact CB-CB 4.45Å; A68-V73 HydrophobicContact CB-CG2 4.17Å
69R95.9Very high96Very high194 Ų19485.1 Ų85.173%0.73239%0.394SS*.  trans-67.2153173.8-64.4-175.1177.4-175-0.2111.5K71 F72 V73R69-K71 PolarHBondContact O-N 3.03Å; R69-K71 VanDerWaalsContact O-N 3.08Å; R69-F72 HydrophobicContact CB-CD2 4.01Å; R69-F72 HydrophobicContact CB-CE2 4.38Å; R69-F72 PolarHBondContact O-N 2.92Å; R69-V73 PolarHBondContact O-N 3.16Å
70Q95.7Very high96Very high81 Ų8181.6 Ų81.638%0.37938%0.379SS..Hα-helixtrans-55.1-34.8-174.1-174.2173.235.300113.5D39 P41 F72 V73 R74D39-Q70 PolarHBondContact OD1-NE2 3.48Å; D39-Q70 VanDerWaalsContact OD1-NE2 3.12Å; D39-Q70 WeakPolarHBondContact OD2-CA 3.3Å; D39-Q70 WeakPolarHBondContact OD2-CB 3.4Å; D39-Q70 WeakPolarHBondContact OD2-CG 3.49Å; P41-Q70 HydrophobicContact CB-CG 3.92Å; Q70-F72 VanDerWaalsContact C-N 3.3Å; Q70-F72 PolarHBondContact O-N 3.07Å; Q70-V73 PolarHBondContact O-N 2.88Å; Q70-R74 WeakPolarHBondContact O-CB 3.27Å; Q70-R74 PolarHBondContact O-N 3.44Å
71K96.2Very high95.9Very high134 Ų13483.5 Ų83.558%0.58339%0.39SS*.Hα-helixtrans-57.8-39.8176-174.2176.1-179.21770112.8R69 R75R69-K71 PolarHBondContact O-N 3.03Å; R69-K71 VanDerWaalsContact O-N 3.08Å; K71-R75 VanDerWaalsContact O-CG 3.31Å; K71-R75 WeakPolarHBondContact O-CG 3.13Å; K71-R75 PolarHBondContact O-N 2.89Å
72F96.1Very high95.9Very high108 Ų10880.7 Ų80.747%0.47437%0.373SS..Hα-helixtrans-75.8-39.6178.8-62.9-74.4000111.5A68 R69 Q70 R74 R75 A76A68-F72 HydrophobicContact CB-CB 4.45Å; R69-F72 HydrophobicContact CB-CD2 4.01Å; R69-F72 HydrophobicContact CB-CE2 4.38Å; R69-F72 PolarHBondContact O-N 2.92Å; Q70-F72 VanDerWaalsContact C-N 3.3Å; Q70-F72 PolarHBondContact O-N 3.07Å; F72-R74 VanDerWaalsContact C-N 3.34Å; F72-R74 PolarHBondContact O-N 3.31Å; F72-R75 PolarHBondContact O-N 2.9Å; F72-A76 WeakPolarHBondContact O-CB 2.93Å; F72-A76 PolarHBondContact O-N 3.42Å
73V96.5Very high95.8Very high0 Ų084.1 Ų84.10%039%0.391CS..Hα-helixtrans-59.6-46.1174.5-177.50000110.5A26 V28 D39 P41 I62 A68 R69 Q70 A76 W77A26-V73 HydrophobicContact CB-CG1 4.2Å; V28-V73 HydrophobicContact CG2-CG2 4.18Å; D39-V73 HydrophobicContact CB-CG1 4.45Å; P41-V73 HydrophobicContact CG-CB 4.44Å; P41-V73 HydrophobicContact CG-CG1 4.06Å; I62-V73 HydrophobicContact CD1-CG1 3.98Å; A68-V73 HydrophobicContact CB-CG2 4.17Å; R69-V73 PolarHBondContact O-N 3.16Å; Q70-V73 PolarHBondContact O-N 2.88Å; V73-A76 PolarHBondContact O-N 3.11Å; V73-W77 VanDerWaalsContact O-CB 3.23Å; V73-W77 WeakPolarHBondContact O-CB 3.47Å; V73-W77 PolarHBondContact O-N 2.96Å
74R96.7Very high95.7Very high106 Ų10679 Ų7940%0.437%0.37SS..Hα-helixtrans-57-51.9175.5-179.2-177.6-70.9-92.7-0.6111.9P41 Q70 F72 A76 W77 E78P41-R74 HydrophobicContact CB-CB 3.89Å; P41-R74 HydrophobicContact CB-CG 4.38Å; P41-R74 HydrophobicContact CG-CB 3.94Å; P41-R74 PolarHBondContact O-NH2 3.03Å; Q70-R74 WeakPolarHBondContact O-CB 3.27Å; Q70-R74 PolarHBondContact O-N 3.44Å; F72-R74 VanDerWaalsContact C-N 3.34Å; F72-R74 PolarHBondContact O-N 3.31Å; R74-A76 VanDerWaalsContact C-N 3.34Å; R74-A76 PolarHBondContact O-N 2.68Å; R74-W77 WeakPolarHBondContact O-CB 3.48Å; R74-W77 PolarHBondContact O-N 3.48Å; R74-E78 VanDerWaalsContact CG-OE1 3.29Å; R74-E78 WeakPolarHBondContact CG-OE1 3.48Å; R74-E78 IonicContact NH1-OE1 3.09Å; R74-E78 WeakPolarHBondContact O-CG 3.34Å; R74-E78 PolarHBondContact O-N 2.84Å
75R96.7Very high95.8Very high139 Ų13982.3 Ų82.353%0.52538%0.383SS..Hα-helixtrans-59.4-43.6179.2-74.3173174.9-171.6-7.3112.2K71 F72 K79K71-R75 VanDerWaalsContact O-CG 3.31Å; K71-R75 WeakPolarHBondContact O-CG 3.13Å; K71-R75 PolarHBondContact O-N 2.89Å; F72-R75 PolarHBondContact O-N 2.9Å; R75-K79 WeakPolarHBondContact O-CB 3.27Å; R75-K79 PolarHBondContact O-N 2.87Å
76A96.7Very high95.8Very high19 Ų1979.6 Ų79.616%0.15736%0.361CS..Hα-helixtrans-67.1-38.1178.100000111.9I62 V64 F72 V73 R74 A80I62-A76 HydrophobicContact CB-CB 4.32Å; I62-A76 HydrophobicContact CD1-CB 4.27Å; V64-A76 HydrophobicContact CG1-CB 3.57Å; F72-A76 WeakPolarHBondContact O-CB 2.93Å; F72-A76 PolarHBondContact O-N 3.42Å; V73-A76 PolarHBondContact O-N 3.11Å; R74-A76 VanDerWaalsContact C-N 3.34Å; R74-A76 PolarHBondContact O-N 2.68Å; A76-A80 VanDerWaalsContact O-CB 3.22Å; A76-A80 WeakPolarHBondContact O-CB 3.45Å; A76-A80 PolarHBondContact O-N 3.29Å
77W97Very high95.8Very high3 Ų377.7 Ų77.71%0.01136%0.36CS..Hα-helixtrans-63.2-47.7176.8-168.9-75.6000112.5V12 L24 A26 C42 T43 I62 V73 R74 A80 Q81 V82 N83V12-W77 HydrophobicContact CG1-CH2 3.67Å; V12-W77 HydrophobicContact CG1-CZ2 4.44Å; V12-W77 HydrophobicContact CG1-CZ3 4.15Å; V12-W77 HydrophobicContact CG2-CE3 4.39Å; V12-W77 HydrophobicContact CG2-CH2 4.12Å; V12-W77 HydrophobicContact CG2-CZ3 3.81Å; L24-W77 HydrophobicContact CB-CH2 3.68Å; L24-W77 HydrophobicContact CB-CZ2 3.78Å; L24-W77 HydrophobicContact CD1-CZ2 4.16Å; A26-W77 HydrophobicContact CB-CE3 4.1Å; A26-W77 HydrophobicContact CB-CZ3 3.75Å; C42-W77 HydrophobicContact CB-CG 4.48Å; T43-W77 HydrophobicContact CG2-CZ2 4.21Å; I62-W77 HydrophobicContact CD1-CE3 4.17Å; V73-W77 VanDerWaalsContact O-CB 3.23Å; V73-W77 WeakPolarHBondContact O-CB 3.47Å; V73-W77 PolarHBondContact O-N 2.96Å; R74-W77 WeakPolarHBondContact O-CB 3.48Å; R74-W77 PolarHBondContact O-N 3.48Å; W77-A80 PolarHBondContact O-N 2.84Å; W77-Q81 PolarHBondContact O-N 3.21Å; W77-V82 HydrophobicContact CD2-CB 4.08Å; W77-V82 HydrophobicContact CD2-CG1 4.29Å; W77-V82 HydrophobicContact CD2-CG2 4.18Å; W77-V82 HydrophobicContact CG-CB 4.26Å; W77-V82 HydrophobicContact CG-CG2 4.28Å; W77-V82 HydrophobicContact CH2-CG1 4.06Å; W77-V82 HydrophobicContact CZ2-CB 4.12Å; W77-V82 HydrophobicContact CZ2-CG1 3.55Å; W77-V82 PolarHBondContact O-N 3.04Å; W77-N83 PolarHBondContact NE1-OD1 3.36Å
78E95.9Very high95.8Very high103 Ų10381.1 Ų81.148%0.48137%0.37SS..Hα-helixtrans-66.1-47.1177.1-72165.1-177.200110.8R74 A80 Q81R74-E78 VanDerWaalsContact CG-OE1 3.29Å; R74-E78 WeakPolarHBondContact CG-OE1 3.48Å; R74-E78 IonicContact NH1-OE1 3.09Å; R74-E78 WeakPolarHBondContact O-CG 3.34Å; R74-E78 PolarHBondContact O-N 2.84Å; E78-A80 PolarHBondContact O-N 2.99Å; E78-Q81 PolarHBondContact O-N 3.47Å
79K96.6Very high95.9Very high189 Ų18981.7 Ų81.782%0.82237%0.374SS*.Hα-helixtrans-58.1-36.8176.2-177176.8-178.9176.90112.6R75 Q81R75-K79 WeakPolarHBondContact O-CB 3.27Å; R75-K79 PolarHBondContact O-N 2.87Å; K79-Q81 VanDerWaalsContact C-N 3.27Å
80A95.2Very high95.9Very high27 Ų2776.6 Ų76.622%0.22337%0.368CS..THydrogen-bonded Turntrans-81.3-6178.300000113.6I62 A76 W77 E78 V82 K85I62-A80 HydrophobicContact CG2-CB 3.81Å; A76-A80 VanDerWaalsContact O-CB 3.22Å; A76-A80 WeakPolarHBondContact O-CB 3.45Å; A76-A80 PolarHBondContact O-N 3.29Å; W77-A80 PolarHBondContact O-N 2.84Å; E78-A80 PolarHBondContact O-N 2.99Å; A80-V82 HydrophobicContact CB-CG2 3.9Å; A80-V82 PolarHBondContact O-N 3.18Å; A80-K85 WeakPolarHBondContact O-CE 3.49Å; A80-K85 PolarHBondContact O-NZ 3.44Å
81Q95.5Very high96Very high98 Ų9876 Ų7646%0.45836%0.362SS..THydrogen-bonded Turntrans51.142.4-177.8-65.2173-43.400112.4W77 E78 K79 N83 E84 K85W77-Q81 PolarHBondContact O-N 3.21Å; E78-Q81 PolarHBondContact O-N 3.47Å; K79-Q81 VanDerWaalsContact C-N 3.27Å; Q81-N83 VanDerWaalsContact C-N 3.27Å; Q81-N83 PolarHBondContact O-N 3.16Å; Q81-E84 HydrophobicContact CB-CB 4.37Å; Q81-E84 PolarHBondContact NE2-OE2 3.05Å; Q81-E84 PolarHBondContact O-N 3.09Å; Q81-K85 WeakPolarHBondContact O-CG 3.24Å; Q81-K85 PolarHBondContact O-N 3.29Å
82V95.1Very high96Very high3 Ų370.2 Ų70.22%0.01834%0.339CS..Hα-helixtrans-59-39.4-173.4176.30000111.6V12 L24 I62 W77 A80 W86V12-V82 HydrophobicContact CG1-CG1 4.06Å; V12-V82 HydrophobicContact CG2-CG1 4Å; V12-V82 HydrophobicContact CG2-CG2 4.36Å; L24-V82 HydrophobicContact CD1-CG1 4.32Å; I62-V82 HydrophobicContact CG2-CG2 3.68Å; W77-V82 HydrophobicContact CD2-CB 4.08Å; W77-V82 HydrophobicContact CD2-CG1 4.29Å; W77-V82 HydrophobicContact CD2-CG2 4.18Å; W77-V82 HydrophobicContact CG-CB 4.26Å; W77-V82 HydrophobicContact CG-CG2 4.28Å; W77-V82 HydrophobicContact CH2-CG1 4.06Å; W77-V82 HydrophobicContact CZ2-CB 4.12Å; W77-V82 HydrophobicContact CZ2-CG1 3.55Å; W77-V82 PolarHBondContact O-N 3.04Å; A80-V82 HydrophobicContact CB-CG2 3.9Å; A80-V82 PolarHBondContact O-N 3.18Å; V82-W86 VanDerWaalsContact O-CB 3.24Å; V82-W86 WeakPolarHBondContact O-CB 3.36Å; V82-W86 PolarHBondContact O-N 2.86Å
83N94.4Very high96Very high73 Ų7370.5 Ų70.539%0.3934%0.34SS..Hα-helixtrans-65.1-41.7-179.3-75.214.6000112.4W77 Q81 W86 S87W77-N83 PolarHBondContact NE1-OD1 3.36Å; Q81-N83 VanDerWaalsContact C-N 3.27Å; Q81-N83 PolarHBondContact O-N 3.16Å; N83-W86 PolarHBondContact O-N 3.28Å; N83-S87 WeakPolarHBondContact O-CB 3.22Å; N83-S87 PolarHBondContact O-N 3.29Å; N83-S87 PolarHBondContact O-OG 2.98Å
84E95.2Very high96Very high98 Ų9877.3 Ų77.346%0.45837%0.37SS..Hα-helixtrans-68.8-44.9178.9-64.7171.1-16400110.9Q81 W86 S87 Q88Q81-E84 HydrophobicContact CB-CB 4.37Å; Q81-E84 PolarHBondContact NE2-OE2 3.05Å; Q81-E84 PolarHBondContact O-N 3.09Å; E84-W86 VanDerWaalsContact C-N 3.31Å; E84-W86 PolarHBondContact O-N 3.43Å; E84-S87 PolarHBondContact O-N 2.96Å; E84-S87 PolarHBondContact O-OG 3.35Å; E84-Q88 WeakPolarHBondContact O-CB 3.08Å; E84-Q88 VanDerWaalsContact O-CG 3.27Å; E84-Q88 WeakPolarHBondContact O-CG 3.2Å; E84-Q88 PolarHBondContact O-N 3.26Å
85K96Very high96Very high92 Ų9273.4 Ų73.440%0.436%0.356SS..Hα-helixtrans-62.4-41.7175.6-70.1175.1-180162.30111.4Y60 A80 Q81 Q88 S89Y60-K85 HydrophobicContact CD1-CB 4.48Å; Y60-K85 HydrophobicContact CE1-CB 3.78Å; Y60-K85 HydrophobicContact CE1-CD 4.35Å; Y60-K85 PolarHBondContact OH-O 3.03Å; A80-K85 WeakPolarHBondContact O-CE 3.49Å; A80-K85 PolarHBondContact O-NZ 3.44Å; Q81-K85 WeakPolarHBondContact O-CG 3.24Å; Q81-K85 PolarHBondContact O-N 3.29Å; K85-Q88 PolarHBondContact O-N 3.44Å; K85-S89 PolarHBondContact O-N 3.34Å; K85-S89 VanDerWaalsContact O-N 3.1Å
86W96.2Very high95.9Very high33 Ų3371 Ų7113%0.12535%0.351CS..Hα-helixtrans-61.2-51.2175.5176.3-107.9000111.4Y14 L24 T58 Y60 V82 N83 E84 Q88 S89 W91 A92 I95Y14-W86 AromaticContact CD2-CH2 3.82Å; Y14-W86 HydrophobicContact CD2-CH2 3.82Å; Y14-W86 AromaticContact CD2-CZ2 3.52Å; Y14-W86 HydrophobicContact CD2-CZ2 3.52Å; Y14-W86 AromaticContact CE2-CZ2 3.91Å; Y14-W86 HydrophobicContact CE2-CZ2 3.91Å; Y14-W86 HydrophobicContact CG-CH2 4.01Å; Y14-W86 HydrophobicContact CG-CZ2 4.19Å; L24-W86 HydrophobicContact CD1-CB 3.74Å; L24-W86 HydrophobicContact CD1-CD2 3.87Å; L24-W86 HydrophobicContact CD1-CE3 4.43Å; L24-W86 HydrophobicContact CD1-CG 3.53Å; L24-W86 HydrophobicContact CD2-CD2 3.88Å; L24-W86 HydrophobicContact CD2-CE3 3.96Å; L24-W86 HydrophobicContact CD2-CG 4.44Å; L24-W86 HydrophobicContact CD2-CH2 4.22Å; L24-W86 HydrophobicContact CD2-CZ2 4.12Å; L24-W86 HydrophobicContact CD2-CZ3 4.14Å; L24-W86 HydrophobicContact CG-CD2 4.29Å; L24-W86 HydrophobicContact CG-CG 4.36Å; T58-W86 HydrophobicContact CG2-CE3 4.4Å; T58-W86 HydrophobicContact CG2-CZ3 3.85Å; Y60-W86 HydrophobicContact CE2-CB 4.44Å; Y60-W86 HydrophobicContact CE2-CE3 4.11Å; V82-W86 VanDerWaalsContact O-CB 3.24Å; V82-W86 WeakPolarHBondContact O-CB 3.36Å; V82-W86 PolarHBondContact O-N 2.86Å; N83-W86 PolarHBondContact O-N 3.28Å; E84-W86 VanDerWaalsContact C-N 3.31Å; E84-W86 PolarHBondContact O-N 3.43Å; W86-Q88 VanDerWaalsContact C-N 3.25Å; W86-Q88 PolarHBondContact O-N 2.84Å; W86-S89 WeakPolarHBondContact O-CB 3.07Å; W86-S89 PolarHBondContact O-N 2.94Å; W86-S89 PolarHBondContact O-OG 3.34Å; W86-W91 HydrophobicContact CH2-CB 4.49Å; W86-W91 AromaticContact CH2-CD2 3.63Å; W86-W91 HydrophobicContact CH2-CD2 3.63Å; W86-W91 AromaticContact CH2-CE2 3.95Å; W86-W91 AromaticContact CH2-CE3 3.78Å; W86-W91 HydrophobicContact CH2-CE3 3.78Å; W86-W91 AromaticContact CH2-CG 3.98Å; W86-W91 HydrophobicContact CH2-CG 3.98Å; W86-W91 HydrophobicContact CH2-CH2 4.47Å; W86-W91 HydrophobicContact CH2-CZ2 4.35Å; W86-W91 HydrophobicContact CH2-CZ3 4.21Å; W86-W91 AromaticContact CZ3-CD2 3.97Å; W86-W91 HydrophobicContact CZ3-CD2 3.97Å; W86-W91 AromaticContact CZ3-CE3 3.67Å; W86-W91 HydrophobicContact CZ3-CE3 3.67Å; W86-W91 HydrophobicContact CZ3-CG 4.39Å; W86-W91 HydrophobicContact CZ3-CZ3 4.13Å; W86-A92 HydrophobicContact CD2-CB 4.16Å; W86-A92 HydrophobicContact CG-CB 4.25Å; W86-A92 HydrophobicContact CZ2-CB 4.36Å; W86-A92 WeakPolarHBondContact O-CB 3.48Å; W86-I95 HydrophobicContact CH2-CD1 4.42Å; W86-I95 HydrophobicContact CZ2-CD1 3.92Å
87S94.4Very high95.9Very high68 Ų6872.1 Ų72.148%0.47636%0.36SS..Hα-helixtrans-61.7-33.4-178.562.50000112.8N83 E84 S89N83-S87 WeakPolarHBondContact O-CB 3.22Å; N83-S87 PolarHBondContact O-N 3.29Å; N83-S87 PolarHBondContact O-OG 2.98Å; E84-S87 PolarHBondContact O-N 2.96Å; E84-S87 PolarHBondContact O-OG 3.35Å; S87-S89 VanDerWaalsContact C-N 3.32Å
88Q95.4Very high95.9Very high128 Ų12880.4 Ų80.460%0.59839%0.391SS*.Hα-helixtrans-74.6-21.2175.1-68.7174.913.500113.7E84 K85 W86 K93E84-Q88 WeakPolarHBondContact O-CB 3.08Å; E84-Q88 VanDerWaalsContact O-CG 3.27Å; E84-Q88 WeakPolarHBondContact O-CG 3.2Å; E84-Q88 PolarHBondContact O-N 3.26Å; K85-Q88 PolarHBondContact O-N 3.44Å; W86-Q88 VanDerWaalsContact C-N 3.25Å; W86-Q88 PolarHBondContact O-N 2.84Å; Q88-K93 WeakPolarHBondContact O-CE 3.4Å; Q88-K93 PolarHBondContact O-NZ 3.18Å
89S96.4Very high95.8Very high20 Ų2080.4 Ų80.414%0.1439%0.392CS..SBendtrans-62.1147.4-17777.70000112.6K85 W86 S87 W91 A92 K93K85-S89 PolarHBondContact O-N 3.34Å; K85-S89 VanDerWaalsContact O-N 3.1Å; W86-S89 WeakPolarHBondContact O-CB 3.07Å; W86-S89 PolarHBondContact O-N 2.94Å; W86-S89 PolarHBondContact O-OG 3.34Å; S87-S89 VanDerWaalsContact C-N 3.32Å; S89-W91 PolarHBondContact O-N 3.24Å; S89-A92 PolarHBondContact O-N 3.31Å; S89-A92 WeakPolarHBondContact OG-CB 3.23Å; S89-A92 PolarHBondContact OG-N 3.48Å; S89-A92 VanDerWaalsContact OG-N 3.1Å; S89-K93 WeakPolarHBondContact O-CG 3.45Å; S89-K93 PolarHBondContact O-N 2.99Å; S89-K93 VanDerWaalsContact O-N 3.08Å
90S96.6Very high95.8Very high86 Ų8677.4 Ų77.460%0.60138%0.378SS*.Hα-helixtrans-60.8-29.6175.565.70000112.1K94S90-K94 WeakPolarHBondContact O-CB 3.26Å; S90-K94 VanDerWaalsContact O-CG 3.23Å; S90-K94 WeakPolarHBondContact O-CG 3.41Å; S90-K94 PolarHBondContact O-N 3.43Å
91W96.7Very high95.8Very high70 Ų7085.3 Ų85.327%0.26540%0.402SS..Hα-helixtrans-67.6-52.1177.2-170.6-1.1000111.5Y14 Q56 T58 W86 S89 K93 K94 I95Y14-W91 HydrophobicContact CD1-CH2 4.44Å; Y14-W91 AromaticContact CD1-CZ2 3.88Å; Y14-W91 HydrophobicContact CD1-CZ2 3.88Å; Y14-W91 HydrophobicContact CG-CZ2 4.27Å; Q56-W91 HydrophobicContact CB-CH2 3.83Å; Q56-W91 HydrophobicContact CB-CZ2 4.34Å; Q56-W91 VanDerWaalsContact OE1-CZ2 3.27Å; T58-W91 HydrophobicContact CG2-CZ3 4.11Å; W86-W91 HydrophobicContact CH2-CB 4.49Å; W86-W91 AromaticContact CH2-CD2 3.63Å; W86-W91 HydrophobicContact CH2-CD2 3.63Å; W86-W91 AromaticContact CH2-CE2 3.95Å; W86-W91 AromaticContact CH2-CE3 3.78Å; W86-W91 HydrophobicContact CH2-CE3 3.78Å; W86-W91 AromaticContact CH2-CG 3.98Å; W86-W91 HydrophobicContact CH2-CG 3.98Å; W86-W91 HydrophobicContact CH2-CH2 4.47Å; W86-W91 HydrophobicContact CH2-CZ2 4.35Å; W86-W91 HydrophobicContact CH2-CZ3 4.21Å; W86-W91 AromaticContact CZ3-CD2 3.97Å; W86-W91 HydrophobicContact CZ3-CD2 3.97Å; W86-W91 AromaticContact CZ3-CE3 3.67Å; W86-W91 HydrophobicContact CZ3-CE3 3.67Å; W86-W91 HydrophobicContact CZ3-CG 4.39Å; W86-W91 HydrophobicContact CZ3-CZ3 4.13Å; S89-W91 PolarHBondContact O-N 3.24Å; W91-K93 VanDerWaalsContact C-N 3.33Å; W91-K93 PolarHBondContact O-N 3.09Å; W91-K94 WeakPolarHBondContact O-CB 3.33Å; W91-K94 PolarHBondContact O-N 2.65Å; W91-K94 VanDerWaalsContact O-N 3.13Å; W91-I95 WeakPolarHBondContact O-CG1 3.37Å; W91-I95 PolarHBondContact O-N 3.47Å
92A95.8Very high95.8Very high11 Ų1184.9 Ų84.99%0.09142%0.416CS..Hα-helixtrans-60.9-42.9177.500000111.9W86 S89 K94 I95 E96W86-A92 HydrophobicContact CD2-CB 4.16Å; W86-A92 HydrophobicContact CG-CB 4.25Å; W86-A92 HydrophobicContact CZ2-CB 4.36Å; W86-A92 WeakPolarHBondContact O-CB 3.48Å; S89-A92 PolarHBondContact O-N 3.31Å; S89-A92 WeakPolarHBondContact OG-CB 3.23Å; S89-A92 PolarHBondContact OG-N 3.48Å; S89-A92 VanDerWaalsContact OG-N 3.1Å; A92-K94 VanDerWaalsContact C-N 3.29Å; A92-K94 PolarHBondContact O-N 2.94Å; A92-I95 WeakPolarHBondContact O-CB 3.47Å; A92-I95 PolarHBondContact O-N 2.93Å; A92-I95 VanDerWaalsContact O-N 3.09Å; A92-E96 PolarHBondContact O-N 3.22Å
93K96.9Very high95.9Very high115 Ų11593 Ų9350%0.545%0.451SS..Hα-helixtrans-58.4-38.5175-71.8171.3176.1162.40112.5Q88 S89 W91 A97Q88-K93 WeakPolarHBondContact O-CE 3.4Å; Q88-K93 PolarHBondContact O-NZ 3.18Å; S89-K93 WeakPolarHBondContact O-CG 3.45Å; S89-K93 PolarHBondContact O-N 2.99Å; S89-K93 VanDerWaalsContact O-N 3.08Å; W91-K93 VanDerWaalsContact C-N 3.33Å; W91-K93 PolarHBondContact O-N 3.09Å; K93-A97 VanDerWaalsContact O-CB 3.3Å; K93-A97 WeakPolarHBondContact O-CB 3.41Å; K93-A97 PolarHBondContact O-N 3.36Å
94K97Very high96Very high143 Ų14391.9 Ų91.962%0.62244%0.444SS*.Hα-helixtrans-67.1-40.4174.5-77.5173.2-176.2179.30112.2S90 W91 A92 R98S90-K94 WeakPolarHBondContact O-CB 3.26Å; S90-K94 VanDerWaalsContact O-CG 3.23Å; S90-K94 WeakPolarHBondContact O-CG 3.41Å; S90-K94 PolarHBondContact O-N 3.43Å; W91-K94 WeakPolarHBondContact O-CB 3.33Å; W91-K94 PolarHBondContact O-N 2.65Å; W91-K94 VanDerWaalsContact O-N 3.13Å; A92-K94 VanDerWaalsContact C-N 3.29Å; A92-K94 PolarHBondContact O-N 2.94Å; K94-R98 PolarHBondContact O-N 3.26Å
95I95.8Very high96.1Very high24 Ų2489.8 Ų89.812%0.12344%0.44CS..Hα-helixtrans-62.5-48175.6-67.4166.6000109.8Y14 W86 W91 A92 A97 R98 Q99Y14-I95 HydrophobicContact CE1-CD1 4.38Å; Y14-I95 HydrophobicContact CE2-CD1 3.97Å; W86-I95 HydrophobicContact CH2-CD1 4.42Å; W86-I95 HydrophobicContact CZ2-CD1 3.92Å; W91-I95 WeakPolarHBondContact O-CG1 3.37Å; W91-I95 PolarHBondContact O-N 3.47Å; A92-I95 WeakPolarHBondContact O-CB 3.47Å; A92-I95 PolarHBondContact O-N 2.93Å; A92-I95 VanDerWaalsContact O-N 3.09Å; I95-A97 PolarHBondContact O-N 3.34Å; I95-R98 WeakPolarHBondContact O-CB 3.36Å; I95-R98 PolarHBondContact O-N 3.22Å; I95-Q99 WeakPolarHBondContact O-CG 3.45Å; I95-Q99 PolarHBondContact O-N 2.71Å
96E95.7Very high96.2Very high89 Ų8990.6 Ų90.642%0.41645%0.449SS..Hα-helixtrans-61-45.2178.5-169.1-166.517800111.6A92 R98 Q99 K100A92-E96 PolarHBondContact O-N 3.22Å; E96-R98 VanDerWaalsContact C-N 3.28Å; E96-R98 PolarHBondContact O-N 2.78Å; E96-Q99 PolarHBondContact O-N 2.72Å; E96-Q99 VanDerWaalsContact O-N 3.16Å; E96-K100 HydrophobicContact CG-CD 4.4Å; E96-K100 WeakPolarHBondContact O-CG 3.47Å; E96-K100 PolarHBondContact O-N 2.79Å; E96-K100 WeakPolarHBondContact OE1-CE 3.46Å; E96-K100 IonicContact OE1-NZ 2.79Å; E96-K100 PolarHBondContact OE1-NZ 3.21Å; E96-K100 IonicContact OE2-NZ 2.75Å
97A95.9Very high96.3Very high42 Ų4295.3 Ų95.335%0.34747%0.47SS..Hα-helixtrans-60.3-37.8176.300000112.3K93 I95 R101K93-A97 VanDerWaalsContact O-CB 3.3Å; K93-A97 WeakPolarHBondContact O-CB 3.41Å; K93-A97 PolarHBondContact O-N 3.36Å; I95-A97 PolarHBondContact O-N 3.34Å; A97-R101 WeakPolarHBondContact O-CG 3.31Å; A97-R101 PolarHBondContact O-N 3.15Å
98R96.6Very high96.4Very high176 Ų17694.8 Ų94.866%0.66446%0.462SS*.Hα-helixtrans-64.7-44.5174.5-174.3-177.2-65.6139-2.3111.2K94 I95 E96 R101 A102K94-R98 PolarHBondContact O-N 3.26Å; I95-R98 WeakPolarHBondContact O-CB 3.36Å; I95-R98 PolarHBondContact O-N 3.22Å; E96-R98 VanDerWaalsContact C-N 3.28Å; E96-R98 PolarHBondContact O-N 2.78Å; R98-R101 PolarHBondContact O-N 2.82Å; R98-A102 PolarHBondContact O-N 3.43Å
99Q95.4Very high96.5Very high104 Ų10494.9 Ų94.949%0.48646%0.457SS..Hα-helixtrans-63.3-44.2177.2-70.5178.7-6.700112I95 E96 R101 A102 K103I95-Q99 WeakPolarHBondContact O-CG 3.45Å; I95-Q99 PolarHBondContact O-N 2.71Å; E96-Q99 PolarHBondContact O-N 2.72Å; E96-Q99 VanDerWaalsContact O-N 3.16Å; Q99-R101 VanDerWaalsContact C-N 3.33Å; Q99-R101 PolarHBondContact O-N 2.85Å; Q99-A102 PolarHBondContact O-N 3.36Å; Q99-K103 WeakPolarHBondContact O-CG 3.38Å; Q99-K103 PolarHBondContact O-N 2.9Å
100K95.9Very high96.6Very high125 Ų12599.6 Ų99.654%0.54347%0.473SS..Hα-helixtrans-60.4-41.5176.1-74.9177.3-179.51690112E96 K103 M104E96-K100 HydrophobicContact CG-CD 4.4Å; E96-K100 WeakPolarHBondContact O-CG 3.47Å; E96-K100 PolarHBondContact O-N 2.79Å; E96-K100 WeakPolarHBondContact OE1-CE 3.46Å; E96-K100 IonicContact OE1-NZ 2.79Å; E96-K100 PolarHBondContact OE1-NZ 3.21Å; E96-K100 IonicContact OE2-NZ 2.75Å; K100-K103 PolarHBondContact O-N 2.91Å; K100-M104 PolarHBondContact O-N 2.89Å
101R95.5Very high96.7Very high193 Ų193100.3 Ų100.373%0.72847%0.465SS*.Hα-helixtrans-65.1-42.1175.4-75.2179.2-175.3177.83.4112.5A97 R98 Q99 K103 M104A97-R101 WeakPolarHBondContact O-CG 3.31Å; A97-R101 PolarHBondContact O-N 3.15Å; R98-R101 PolarHBondContact O-N 2.82Å; Q99-R101 VanDerWaalsContact C-N 3.33Å; Q99-R101 PolarHBondContact O-N 2.85Å; R101-K103 VanDerWaalsContact C-N 3.29Å; R101-K103 PolarHBondContact O-N 3.22Å; R101-M104 VanDerWaalsContact O-CB 3.27Å; R101-M104 WeakPolarHBondContact O-CB 3.23Å; R101-M104 PolarHBondContact O-N 2.87Å
102A96Very high96.7Very high89 Ų89100.5 Ų100.574%0.73647%0.473SS*.Hα-helixtrans-64.5-34.5178.100000112.4R98 Q99 M104R98-A102 PolarHBondContact O-N 3.43Å; Q99-A102 PolarHBondContact O-N 3.36Å; A102-M104 VanDerWaalsContact C-N 3.32Å
103K96.5Very high96.8Very high173 Ų173104.1 Ų104.175%0.75249%0.489SS*.THydrogen-bonded Turntrans-84.20.9178.7-66.6178-179.7-175.30114.3Q99 K100 R101 S105Q99-K103 WeakPolarHBondContact O-CG 3.38Å; Q99-K103 PolarHBondContact O-N 2.9Å; K100-K103 PolarHBondContact O-N 2.91Å; R101-K103 VanDerWaalsContact C-N 3.29Å; R101-K103 PolarHBondContact O-N 3.22Å; K103-S105 PolarHBondContact O-N 3.02Å
104M96.4Very high96.9Very high51 Ų51103.1 Ų103.125%0.25149%0.485SS..  trans-72.2126.3-171.4-170.3176.3-7300112K100 R101 A102 D108 R109 V112K100-M104 PolarHBondContact O-N 2.89Å; R101-M104 VanDerWaalsContact O-CB 3.27Å; R101-M104 WeakPolarHBondContact O-CB 3.23Å; R101-M104 PolarHBondContact O-N 2.87Å; A102-M104 VanDerWaalsContact C-N 3.32Å; M104-D108 HydrophobicContact CG-CB 3.39Å; M104-D108 HydrophobicContact SD-CB 4.2Å; M104-R109 HydrophobicContact CG-CG 3.95Å; M104-R109 PolarHBondContact O-NE 3.35Å; M104-R109 PolarHBondContact O-NH2 3.48Å; M104-R109 HydrophobicContact SD-CB 4.47Å; M104-R109 HydrophobicContact SD-CG 3.76Å; M104-V112 HydrophobicContact CE-CG2 3.98Å; M104-V112 HydrophobicContact SD-CG2 4Å
105S97.8Very high96.9Very high53 Ų5399.4 Ų99.437%0.37148%0.481SS..  trans-67.3164.817575.60000111.9K103 D108 R109K103-S105 PolarHBondContact O-N 3.02Å; S105-D108 PolarHBondContact O-N 3.25Å; S105-D108 PolarHBondContact OG-N 3.36Å; S105-D108 PolarHBondContact OG-OD2 2.78Å; S105-R109 WeakPolarHBondContact O-CG 3.48Å; S105-R109 PolarHBondContact O-N 3.28Å
106D97.9Very high97Very high110 Ų110104.2 Ų104.259%0.58850%0.501SS*.Hα-helixtrans-63.3-41.5177.1-169.565.1000112.6D108 R109 Y110D106-D108 VanDerWaalsContact C-N 3.31Å; D106-D108 PolarHBondContact O-N 3.04Å; D106-R109 WeakPolarHBondContact O-CB 3.46Å; D106-R109 PolarHBondContact O-N 2.91Å; D106-R109 VanDerWaalsContact O-N 3.09Å; D106-R109 IonicContact OD1-CZ 3.11Å; D106-R109 IonicContact OD1-NH1 3.24Å; D106-R109 PolarHBondContact OD1-NH1 3.33Å; D106-Y110 PolarHBondContact O-N 3.2Å
107F97.8Very high97.2Very high132 Ų132108.4 Ų108.458%0.57951%0.513SS*.Hα-helixtrans-61.5-39175.5-176.5-117.2000112.4Y110 K111F107-Y110 PolarHBondContact O-N 3.44Å; F107-K111 HydrophobicContact CD1-CD 4.22Å; F107-K111 HydrophobicContact CE1-CD 3.75Å; F107-K111 HydrophobicContact CE1-CG 4.38Å; F107-K111 HydrophobicContact CZ-CD 4.09Å; F107-K111 HydrophobicContact CZ-CG 4.34Å; F107-K111 PolarHBondContact O-N 2.87Å
108D97.5Very high97.2Very high56 Ų56111.9 Ų111.930%0.29952%0.524SS..Hα-helixtrans-65.4-38.1174.3-64.8-43.1000112.2M104 S105 D106 Y110 K111 V112M104-D108 HydrophobicContact CG-CB 3.39Å; M104-D108 HydrophobicContact SD-CB 4.2Å; S105-D108 PolarHBondContact O-N 3.25Å; S105-D108 PolarHBondContact OG-N 3.36Å; S105-D108 PolarHBondContact OG-OD2 2.78Å; D106-D108 VanDerWaalsContact C-N 3.31Å; D106-D108 PolarHBondContact O-N 3.04Å; D108-Y110 VanDerWaalsContact C-N 3.33Å; D108-Y110 PolarHBondContact O-N 3.3Å; D108-K111 PolarHBondContact O-N 3.21Å; D108-K111 WeakPolarHBondContact OD1-CE 3.41Å; D108-K111 IonicContact OD1-NZ 3.84Å; D108-K111 PolarHBondContact OD1-NZ 2.8Å; D108-V112 VanDerWaalsContact O-CG2 3.31Å; D108-V112 WeakPolarHBondContact O-CG2 3.37Å; D108-V112 PolarHBondContact O-N 3.46Å
109R97.4Very high97.3Very high130 Ų130111.2 Ų111.249%0.49152%0.521SS..Hα-helixtrans-61.2-41.9173.9-72176.7-120.7137-9.7111.6M104 S105 D106 V112 M113M104-R109 HydrophobicContact CG-CG 3.95Å; M104-R109 PolarHBondContact O-NE 3.35Å; M104-R109 PolarHBondContact O-NH2 3.48Å; M104-R109 HydrophobicContact SD-CB 4.47Å; M104-R109 HydrophobicContact SD-CG 3.76Å; S105-R109 WeakPolarHBondContact O-CG 3.48Å; S105-R109 PolarHBondContact O-N 3.28Å; D106-R109 WeakPolarHBondContact O-CB 3.46Å; D106-R109 PolarHBondContact O-N 2.91Å; D106-R109 VanDerWaalsContact O-N 3.09Å; D106-R109 IonicContact OD1-CZ 3.11Å; D106-R109 IonicContact OD1-NH1 3.24Å; D106-R109 PolarHBondContact OD1-NH1 3.33Å; R109-V112 PolarHBondContact O-N 3.41Å; R109-M113 WeakPolarHBondContact O-CB 3.35Å; R109-M113 PolarHBondContact O-N 2.8Å
110Y97.6Very high97.5Very high120 Ų120109.8 Ų109.847%0.47152%0.517SS..Hα-helixtrans-61-47.3175.3176.8-102.3000112.1D106 F107 D108 V112 M113 K114D106-Y110 PolarHBondContact O-N 3.2Å; F107-Y110 PolarHBondContact O-N 3.44Å; D108-Y110 VanDerWaalsContact C-N 3.33Å; D108-Y110 PolarHBondContact O-N 3.3Å; Y110-V112 PolarHBondContact O-N 2.65Å; Y110-M113 HydrophobicContact CD2-CE 3.63Å; Y110-M113 HydrophobicContact CE2-CE 3.74Å; Y110-M113 WeakPolarHBondContact O-CB 3.19Å; Y110-M113 PolarHBondContact O-N 3.08Å; Y110-K114 HydrophobicContact CE1-CG 4.18Å; Y110-K114 HydrophobicContact CE2-CD 4.48Å; Y110-K114 VanDerWaalsContact CE2-CE 3.48Å; Y110-K114 HydrophobicContact CE2-CG 4.21Å; Y110-K114 PolarHBondContact O-N 3.02Å; Y110-K114 WeakPolarHBondContact OH-CE 3.33Å
111K98.2Very high97.6Very high100 Ų100111.4 Ų111.444%0.43552%0.524SS..Hα-helixtrans-57.9-46.7175.5-71.6-178.1-65-175.40111.7F107 D108 M113 K114 A115F107-K111 HydrophobicContact CD1-CD 4.22Å; F107-K111 HydrophobicContact CE1-CD 3.75Å; F107-K111 HydrophobicContact CE1-CG 4.38Å; F107-K111 HydrophobicContact CZ-CD 4.09Å; F107-K111 HydrophobicContact CZ-CG 4.34Å; F107-K111 PolarHBondContact O-N 2.87Å; D108-K111 PolarHBondContact O-N 3.21Å; D108-K111 WeakPolarHBondContact OD1-CE 3.41Å; D108-K111 IonicContact OD1-NZ 3.84Å; D108-K111 PolarHBondContact OD1-NZ 2.8Å; K111-M113 VanDerWaalsContact C-N 3.33Å; K111-M113 PolarHBondContact O-N 3.39Å; K111-K114 PolarHBondContact O-N 2.79Å; K111-A115 WeakPolarHBondContact O-CB 3.36Å; K111-A115 PolarHBondContact O-N 2.81Å
112V97.7Very high97.7Very high74 Ų74107 Ų10745%0.44851%0.514SS..Hα-helixtrans-61.2-41.8177.2169.90000111.3M104 D108 R109 Y110 K116M104-V112 HydrophobicContact CE-CG2 3.98Å; M104-V112 HydrophobicContact SD-CG2 4Å; D108-V112 VanDerWaalsContact O-CG2 3.31Å; D108-V112 WeakPolarHBondContact O-CG2 3.37Å; D108-V112 PolarHBondContact O-N 3.46Å; R109-V112 PolarHBondContact O-N 3.41Å; Y110-V112 PolarHBondContact O-N 2.65Å; V112-K116 WeakPolarHBondContact O-CB 3.44Å; V112-K116 PolarHBondContact O-N 2.95Å
113M98Very high97.8Very high87 Ų87106.2 Ų106.243%0.42950%0.496SS..Hα-helixtrans-61-48.1178.1176.6-84-69.500111.8R109 Y110 K111 K116 R117R109-M113 WeakPolarHBondContact O-CB 3.35Å; R109-M113 PolarHBondContact O-N 2.8Å; Y110-M113 HydrophobicContact CD2-CE 3.63Å; Y110-M113 HydrophobicContact CE2-CE 3.74Å; Y110-M113 WeakPolarHBondContact O-CB 3.19Å; Y110-M113 PolarHBondContact O-N 3.08Å; K111-M113 VanDerWaalsContact C-N 3.33Å; K111-M113 PolarHBondContact O-N 3.39Å; M113-K116 PolarHBondContact O-N 3.21Å; M113-R117 WeakPolarHBondContact O-CB 3.41Å; M113-R117 PolarHBondContact O-N 3.35Å
114K98.2Very high97.8Very high94 Ų94104.3 Ų104.341%0.40949%0.488SS..Hα-helixtrans-63-47.1178.7-69.8-65.5-170.2174.70111.9Y110 K111 K116 R117 M118Y110-K114 HydrophobicContact CE1-CG 4.18Å; Y110-K114 HydrophobicContact CE2-CD 4.48Å; Y110-K114 VanDerWaalsContact CE2-CE 3.48Å; Y110-K114 HydrophobicContact CE2-CG 4.21Å; Y110-K114 PolarHBondContact O-N 3.02Å; Y110-K114 WeakPolarHBondContact OH-CE 3.33Å; K111-K114 PolarHBondContact O-N 2.79Å; K114-K116 VanDerWaalsContact C-N 3.35Å; K114-K116 PolarHBondContact O-N 3.31Å; K114-R117 PolarHBondContact O-N 3.3Å; K114-M118 PolarHBondContact O-N 2.85Å
115A98.1Very high97.9Very high65 Ų65107.2 Ų107.254%0.53750%0.501SS..Hα-helixtrans-60.8-43.2176.900000112K111 R117 M118 R119K111-A115 WeakPolarHBondContact O-CB 3.36Å; K111-A115 PolarHBondContact O-N 2.81Å; A115-R117 PolarHBondContact O-N 2.94Å; A115-M118 PolarHBondContact O-N 2.8Å; A115-R119 WeakPolarHBondContact O-CB 3.44Å; A115-R119 PolarHBondContact O-N 2.91Å
116K97.9Very high97.9Very high126 Ų126109 Ų10955%0.54850%0.503SS..Hα-helixtrans-64.3-38.8178.1-172.6177179.7-174.30112.1V112 M113 K114 R119 N120V112-K116 WeakPolarHBondContact O-CB 3.44Å; V112-K116 PolarHBondContact O-N 2.95Å; M113-K116 PolarHBondContact O-N 3.21Å; K114-K116 VanDerWaalsContact C-N 3.35Å; K114-K116 PolarHBondContact O-N 3.31Å; K116-R119 PolarHBondContact O-N 2.85Å; K116-N120 WeakPolarHBondContact O-CB 3.41Å; K116-N120 VanDerWaalsContact O-CG 3.22Å; K116-N120 PolarHBondContact O-N 3.3Å; K116-N120 PolarHBondContact O-OD1 2.83Å
117R98Very high97.9Very high177 Ų177106.8 Ų106.867%0.66849%0.494SS*.Hα-helixtrans-60.6-46.6176.8-174176.1-179.9174.4-2.1111.5M113 K114 A115 N120 K121M113-R117 WeakPolarHBondContact O-CB 3.41Å; M113-R117 PolarHBondContact O-N 3.35Å; K114-R117 PolarHBondContact O-N 3.3Å; A115-R117 PolarHBondContact O-N 2.94Å; R117-N120 PolarHBondContact O-N 3.08Å; R117-K121 PolarHBondContact O-N 3.47Å; R117-K121 VanDerWaalsContact O-N 3.13Å
118M97.9Very high97.8Very high115 Ų115104.9 Ų104.957%0.56749%0.488SS*.Hα-helixtrans-65.1-47.3178.2-17358.8-178.400111.7K114 A115 N120 K121 I122K114-M118 PolarHBondContact O-N 2.85Å; A115-M118 PolarHBondContact O-N 2.8Å; M118-N120 VanDerWaalsContact C-N 3.32Å; M118-N120 PolarHBondContact O-N 3.33Å; M118-K121 WeakPolarHBondContact O-CB 3.27Å; M118-K121 PolarHBondContact O-N 2.95Å; M118-K121 VanDerWaalsContact O-N 3.13Å; M118-I122 HydrophobicContact CE-CD1 4.14Å; M118-I122 HydrophobicContact CE-CG1 4.31Å; M118-I122 HydrophobicContact CG-CD1 4.39Å; M118-I122 PolarHBondContact O-N 2.96Å
119R98.3Very high97.8Very high161 Ų161106.6 Ų106.661%0.60849%0.493SS*.Hα-helixtrans-54.5-47.2176178.8179177.4-103.31.7112A115 K116 K121 I122 I123A115-R119 WeakPolarHBondContact O-CB 3.44Å; A115-R119 PolarHBondContact O-N 2.91Å; K116-R119 PolarHBondContact O-N 2.85Å; R119-K121 VanDerWaalsContact C-N 3.32Å; R119-K121 PolarHBondContact O-N 3.12Å; R119-I122 PolarHBondContact O-N 2.68Å; R119-I123 HydrophobicContact CG-CD1 3.75Å; R119-I123 HydrophobicContact CG-CG1 4.44Å; R119-I123 WeakPolarHBondContact O-CG1 3.47Å; R119-I123 PolarHBondContact O-N 3.09Å
120N98.2Very high97.8Very high75 Ų75105.1 Ų105.140%0.40149%0.494SS..Hα-helixtrans-65.4-34.5-179.4-74-3.1000112.5K116 R117 M118 K124K116-N120 WeakPolarHBondContact O-CB 3.41Å; K116-N120 VanDerWaalsContact O-CG 3.22Å; K116-N120 PolarHBondContact O-N 3.3Å; K116-N120 PolarHBondContact O-OD1 2.83Å; R117-N120 PolarHBondContact O-N 3.08Å; M118-N120 VanDerWaalsContact C-N 3.32Å; M118-N120 PolarHBondContact O-N 3.33Å; N120-K124 VanDerWaalsContact O-CB 3.25Å; N120-K124 WeakPolarHBondContact O-CB 3.37Å; N120-K124 PolarHBondContact O-N 2.95Å
121K98.1Very high97.7Very high159 Ų159105.3 Ų105.369%0.69150%0.499SS*.Hα-helixtrans-62.4-46.2175.5-173.3-179.9178.4-176.90111.2R117 M118 R119 K124 H125R117-K121 PolarHBondContact O-N 3.47Å; R117-K121 VanDerWaalsContact O-N 3.13Å; M118-K121 WeakPolarHBondContact O-CB 3.27Å; M118-K121 PolarHBondContact O-N 2.95Å; M118-K121 VanDerWaalsContact O-N 3.13Å; R119-K121 VanDerWaalsContact C-N 3.32Å; R119-K121 PolarHBondContact O-N 3.12Å; K121-K124 PolarHBondContact O-N 2.64Å; K121-H125 PolarHBondContact O-N 3.18Å; K121-H125 VanDerWaalsContact O-N 3.13Å
122I97.9Very high97.6Very high100 Ų100107.9 Ų107.951%0.51351%0.51SS..Hα-helixtrans-63.2-50.8178.3-60.9168000110.3M118 R119 K124 H125 E126M118-I122 HydrophobicContact CE-CD1 4.14Å; M118-I122 HydrophobicContact CE-CG1 4.31Å; M118-I122 HydrophobicContact CG-CD1 4.39Å; M118-I122 PolarHBondContact O-N 2.96Å; R119-I122 PolarHBondContact O-N 2.68Å; I122-K124 VanDerWaalsContact C-N 3.31Å; I122-K124 PolarHBondContact O-N 3.19Å; I122-H125 PolarHBondContact O-N 3.43Å; I122-E126 PolarHBondContact O-N 3.04Å
123I98Very high97.5Very high72 Ų72110.3 Ų110.337%0.36952%0.517SS..Hα-helixtrans-57.8-44.8179.4-67.8171.8000110.8R119 H125 E126 V127R119-I123 HydrophobicContact CG-CD1 3.75Å; R119-I123 HydrophobicContact CG-CG1 4.44Å; R119-I123 WeakPolarHBondContact O-CG1 3.47Å; R119-I123 PolarHBondContact O-N 3.09Å; I123-H125 VanDerWaalsContact C-N 3.34Å; I123-H125 PolarHBondContact O-N 2.7Å; I123-E126 PolarHBondContact O-N 3.29Å; I123-V127 HydrophobicContact CG2-CG2 4.05Å; I123-V127 WeakPolarHBondContact O-CB 3.38Å; I123-V127 VanDerWaalsContact O-CG2 3.22Å; I123-V127 WeakPolarHBondContact O-CG2 3.43Å; I123-V127 PolarHBondContact O-N 3.3Å
124K97.8Very high97.3Very high134 Ų134109.4 Ų109.458%0.58352%0.523SS*.Hα-helixtrans-60.1-44.4179.6-177.6176.1179.1178.60111.8N120 K121 I122 M128N120-K124 VanDerWaalsContact O-CB 3.25Å; N120-K124 WeakPolarHBondContact O-CB 3.37Å; N120-K124 PolarHBondContact O-N 2.95Å; K121-K124 PolarHBondContact O-N 2.64Å; I122-K124 VanDerWaalsContact C-N 3.31Å; I122-K124 PolarHBondContact O-N 3.19Å; K124-M128 HydrophobicContact CD-CE 4.42Å; K124-M128 HydrophobicContact CG-CE 4.17Å; K124-M128 HydrophobicContact CG-SD 4.3Å; K124-M128 VanDerWaalsContact O-CG 3.29Å; K124-M128 WeakPolarHBondContact O-CG 3.46Å; K124-M128 PolarHBondContact O-N 2.88Å; K124-M128 VanDerWaalsContact O-N 3.07Å
125H97.6Very high97Very high111 Ų111108.9 Ų108.951%0.51454%0.536SS..Hα-helixtrans-63.1-44.3178.9-177.1-151.8000111.6K121 I122 I123 M128 K129K121-H125 PolarHBondContact O-N 3.18Å; K121-H125 VanDerWaalsContact O-N 3.13Å; I122-H125 PolarHBondContact O-N 3.43Å; I123-H125 VanDerWaalsContact C-N 3.34Å; I123-H125 PolarHBondContact O-N 2.7Å; H125-M128 PolarHBondContact O-N 3.08Å; H125-K129 VanDerWaalsContact CE1-CE 3.48Å; H125-K129 WeakPolarHBondContact CE1-CE 3.37Å; H125-K129 VanDerWaalsContact NE2-CE 3.35Å; H125-K129 WeakPolarHBondContact NE2-CE 3.38Å; H125-K129 PolarHBondContact O-N 3.27Å
126E97.6Very high96.4Very high91 Ų91114.4 Ų114.443%0.42555%0.548SS..Hα-helixtrans-67.9-42.9-179.3-161.258.1-152.800112.2I122 I123 M128 K129 L130I122-E126 PolarHBondContact O-N 3.04Å; I123-E126 PolarHBondContact O-N 3.29Å; E126-M128 VanDerWaalsContact C-N 3.28Å; E126-M128 PolarHBondContact O-N 3.18Å; E126-K129 WeakPolarHBondContact O-CB 3.41Å; E126-K129 PolarHBondContact O-N 2.95Å; E126-K129 VanDerWaalsContact O-N 3.13Å; E126-K129 IonicContact OE2-NZ 2.78Å; E126-L130 WeakPolarHBondContact O-CG 3.44Å; E126-L130 PolarHBondContact O-N 3.09Å
127V97.7Very high94.4Very high64 Ų64120.2 Ų120.239%0.38857%0.573SS.*Hα-helixtrans-59.5-40.3174.9170.30000111.3I123 K129 L130 Q131I123-V127 HydrophobicContact CG2-CG2 4.05Å; I123-V127 WeakPolarHBondContact O-CB 3.38Å; I123-V127 VanDerWaalsContact O-CG2 3.22Å; I123-V127 WeakPolarHBondContact O-CG2 3.43Å; I123-V127 PolarHBondContact O-N 3.3Å; V127-K129 VanDerWaalsContact C-N 3.34Å; V127-K129 PolarHBondContact O-N 3.36Å; V127-L130 PolarHBondContact O-N 2.93Å; V127-Q131 HydrophobicContact CG1-CG 4.37Å; V127-Q131 WeakPolarHBondContact O-CB 3.31Å; V127-Q131 VanDerWaalsContact O-CG 3.31Å; V127-Q131 WeakPolarHBondContact O-CG 3.29Å; V127-Q131 PolarHBondContact O-N 2.75Å
128M97Very high94.3Very high91 Ų91117.4 Ų117.445%0.44857%0.569SS.*Hα-helixtrans-63.9-36.9176.6-76.7176.216500112.8K124 H125 E126 K132K124-M128 HydrophobicContact CD-CE 4.42Å; K124-M128 HydrophobicContact CG-CE 4.17Å; K124-M128 HydrophobicContact CG-SD 4.3Å; K124-M128 VanDerWaalsContact O-CG 3.29Å; K124-M128 WeakPolarHBondContact O-CG 3.46Å; K124-M128 PolarHBondContact O-N 2.88Å; K124-M128 VanDerWaalsContact O-N 3.07Å; H125-M128 PolarHBondContact O-N 3.08Å; E126-M128 VanDerWaalsContact C-N 3.28Å; E126-M128 PolarHBondContact O-N 3.18Å; M128-K132 WeakPolarHBondContact O-CG 3.33Å; M128-K132 PolarHBondContact O-N 3.16Å; M128-K132 VanDerWaalsContact O-N 3.15Å
129K96.8Very high94.1Very high93 Ų93117.5 Ų117.540%0.40457%0.569SS.*Hα-helixtrans-65.4-49.5174.4-69.2179.1-177175.10111.1H125 E126 V127 Q131 K132 E133H125-K129 VanDerWaalsContact CE1-CE 3.48Å; H125-K129 WeakPolarHBondContact CE1-CE 3.37Å; H125-K129 VanDerWaalsContact NE2-CE 3.35Å; H125-K129 WeakPolarHBondContact NE2-CE 3.38Å; H125-K129 PolarHBondContact O-N 3.27Å; E126-K129 WeakPolarHBondContact O-CB 3.41Å; E126-K129 PolarHBondContact O-N 2.95Å; E126-K129 VanDerWaalsContact O-N 3.13Å; E126-K129 IonicContact OE2-NZ 2.78Å; V127-K129 VanDerWaalsContact C-N 3.34Å; V127-K129 PolarHBondContact O-N 3.36Å; K129-Q131 VanDerWaalsContact C-N 3.29Å; K129-Q131 PolarHBondContact O-N 2.79Å; K129-K132 WeakPolarHBondContact O-CB 3.3Å; K129-K132 PolarHBondContact O-N 3.27Å; K129-K132 VanDerWaalsContact O-N 3.08Å; K129-E133 PolarHBondContact O-N 2.97Å
130L97Very high93.8Very high98 Ų98115.1 Ų115.151%0.51357%0.567SS.*Hα-helixtrans-58.2-40.5178.4-69172.3000112.1E126 V127 E133 A134E126-L130 WeakPolarHBondContact O-CG 3.44Å; E126-L130 PolarHBondContact O-N 3.09Å; V127-L130 PolarHBondContact O-N 2.93Å; L130-E133 PolarHBondContact O-N 3.19Å; L130-A134 WeakPolarHBondContact O-CB 3.38Å; L130-A134 PolarHBondContact O-N 2.73Å
131Q96.2Very high93.6Very high124 Ų124117.5 Ų117.558%0.57958%0.576SS**Hα-helixtrans-64.5-41.4175.7-76176.2-20.400112.5V127 K129 E133 A134 A135V127-Q131 HydrophobicContact CG1-CG 4.37Å; V127-Q131 WeakPolarHBondContact O-CB 3.31Å; V127-Q131 VanDerWaalsContact O-CG 3.31Å; V127-Q131 WeakPolarHBondContact O-CG 3.29Å; V127-Q131 PolarHBondContact O-N 2.75Å; K129-Q131 VanDerWaalsContact C-N 3.29Å; K129-Q131 PolarHBondContact O-N 2.79Å; Q131-E133 VanDerWaalsContact C-N 3.35Å; Q131-A134 PolarHBondContact O-N 3.09Å; Q131-A135 WeakPolarHBondContact O-CB 3.49Å; Q131-A135 PolarHBondContact O-N 3.12Å
132K95.4Very high93.3Very high154 Ų154114.9 Ų114.967%0.6757%0.569SS**Hα-helixtrans-65.2-38.4176.3-74.8179.4180-173.80112.2M128 K129 K136M128-K132 WeakPolarHBondContact O-CG 3.33Å; M128-K132 PolarHBondContact O-N 3.16Å; M128-K132 VanDerWaalsContact O-N 3.15Å; K129-K132 WeakPolarHBondContact O-CB 3.3Å; K129-K132 PolarHBondContact O-N 3.27Å; K129-K132 VanDerWaalsContact O-N 3.08Å; K132-K136 WeakPolarHBondContact O-CG 3.5Å; K132-K136 PolarHBondContact O-N 3.05Å
133E95.3Very high93Very high125 Ų125115.9 Ų115.958%0.58457%0.573SS**Hα-helixtrans-69.2-42.4175.8-72.4176177.500111.8K129 L130 Q131 A135 K136K129-E133 PolarHBondContact O-N 2.97Å; L130-E133 PolarHBondContact O-N 3.19Å; Q131-E133 VanDerWaalsContact C-N 3.35Å; E133-A135 VanDerWaalsContact C-N 3.27Å; E133-A135 PolarHBondContact O-N 2.97Å; E133-K136 PolarHBondContact O-N 3.05Å; E133-K136 VanDerWaalsContact O-N 3.14Å
134A95Very high92.6Very high68 Ų68119 Ų11956%0.56259%0.588SS**Hα-helixtrans-61.6-35.7175.300000112.4L130 Q131 K136 K137L130-A134 WeakPolarHBondContact O-CB 3.38Å; L130-A134 PolarHBondContact O-N 2.73Å; Q131-A134 PolarHBondContact O-N 3.09Å; A134-K136 VanDerWaalsContact C-N 3.28Å; A134-K136 PolarHBondContact O-N 3.16Å; A134-K137 PolarHBondContact O-N 3.24Å
135A92.1Very high92.2Very high83 Ų83117.8 Ų117.869%0.68659%0.588SS**THydrogen-bonded Turntrans-75.7-10.8177.400000114.4Q131 E133Q131-A135 WeakPolarHBondContact O-CB 3.49Å; Q131-A135 PolarHBondContact O-N 3.12Å; E133-A135 VanDerWaalsContact C-N 3.27Å; E133-A135 PolarHBondContact O-N 2.97Å
136K85.6Confident91.8Very high182 Ų182118.4 Ų118.479%0.79159%0.594SS**THydrogen-bonded Turntrans-89.1-15.6174.8-75.6175.8178.7-174.40113.1K132 E133 A134K132-K136 WeakPolarHBondContact O-CG 3.5Å; K132-K136 PolarHBondContact O-N 3.05Å; E133-K136 PolarHBondContact O-N 3.05Å; E133-K136 VanDerWaalsContact O-N 3.14Å; A134-K136 VanDerWaalsContact C-N 3.28Å; A134-K136 PolarHBondContact O-N 3.16Å
137K55.6Low91.2Very high248 Ų248120.9 Ų120.9100%1.07861%0.609SS**  trans-85.90169.9-100.4-174.9173.8-177.70109.7A134A134-K137 PolarHBondContact O-N 3.24Å

Retrieved 137 of 137 residues in 197.2 ms (Link to these results)

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