A0A087XXV7_POEFO Loading...

Deoxycytidylate deaminase

Catalyzes the deamination of dCMP to dUMP, providing the nucleoside monophosphate substrate for the thymidylate synthase/TYMS. Also, part of a nucleotide salvage pathway that eliminates epigenetically modified 5-hydroxymethyl-dCMP (hmdCMP) in a two-step process entailing deamination to cytotoxic 5-hydroxymethyl-dUMP (hmdUMP), followed by its hydrolysis into 5-hydroxymethyluracil (hmU) and 2-deoxy-D-ribose 5-phosphate (deoxyribosephosphate). Catalyzes the first step in that pathway, the deamination of 5-hydroxymethyl-dCMP (hmdCMP).

AlphaFold DB , UniProt , Accession A0A087XXV7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 212 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
1M42.4Very low53Low244 Ų244161.7 Ų161.7100%1.20284%0.843SS**  0101.20-66.8177-170.100105.1E3M1-E3 PolarHBondContact O-N 3.23Å
2E45Very low53.4Low200 Ų200152.8 Ų152.894%0.93582%0.82SS**  trans-72.4119.7174.5-93.3171138.300108.3N4E2-N4 PolarHBondContact O-N 3.48Å
3E47Very low53.9Low179 Ų179146.7 Ų146.784%0.83682%0.815SS**  trans-69109.8166.5-88.1-177.9157.800108.4M1 Q5M1-E3 PolarHBondContact O-N 3.23Å; E3-Q5 PolarHBondContact O-N 3.18Å
4N49.2Very low54.4Low163 Ų163144.1 Ų144.187%0.87282%0.822SS**  trans-73.992.6174.4-150.611.4000108E2 L6E2-N4 PolarHBondContact O-N 3.48Å; N4-L6 PolarHBondContact O-N 3.04Å
5Q58.1Low55.7Low171 Ų171143.8 Ų143.880%0.79982%0.824SS**  trans-64.8113.2173.2-92.4163.4-000109.3E3E3-Q5 PolarHBondContact O-N 3.18Å
6L53.5Low57.3Low164 Ų164146.3 Ų146.386%0.85982%0.816SS**PPolyproline II helixtrans-57.5135.9171.2-74.4160.2000109.3N4 D8N4-L6 PolarHBondContact O-N 3.04Å; L6-D8 PolarHBondContact O-N 3.48Å
7P53.7Low58.8Low114 Ų114144.2 Ų144.274%0.7481%0.81SS**PPolyproline II helixtrans-64.4136178.325.1-31.7000110.6P9P7-P9 WeakPolarHBondContact O-CD 3.37Å
8D57.1Low60.4Low113 Ų113144.4 Ų144.460%0.60480%0.796SS**PPolyproline II helixtrans-60.9116.3173.1-174.6-10.7000109.6L6 L10L6-D8 PolarHBondContact O-N 3.48Å; D8-L10 PolarHBondContact O-N 3.02Å; D8-L10 VanDerWaalsContact O-N 3.08Å; D8-L10 WeakPolarHBondContact OD1-CB 3.47Å; D8-L10 PolarHBondContact OD1-N 3.13Å; D8-L10 VanDerWaalsContact OD1-N 3.13Å
9P58.7Low61.7Low122 Ų122142.9 Ų142.979%0.79279%0.787SS**THydrogen-bonded Turntrans-69.7-3.1-175.827.3-32.9000113.8P7P7-P9 WeakPolarHBondContact O-CD 3.37Å
10L63.3Low63Low145 Ų145140.8 Ų140.876%0.75978%0.775SS**THydrogen-bonded Turntrans-97.88.5-172.4-60.5177.3000114.9D8 G12D8-L10 PolarHBondContact O-N 3.02Å; D8-L10 VanDerWaalsContact O-N 3.08Å; D8-L10 WeakPolarHBondContact OD1-CB 3.47Å; D8-L10 PolarHBondContact OD1-N 3.13Å; D8-L10 VanDerWaalsContact OD1-N 3.13Å; L10-G12 PolarHBondContact O-N 3.08Å
11N55.5Low64.3Low164 Ų164140.7 Ų140.788%0.87776%0.764SS**  trans-85.453.2177-152.217.5000113.1
12G57.5Low66.8Low55 Ų55132.8 Ų132.857%0.56773%0.726SS**SBendtrans-121128.6166.100000108L10 A14L10-G12 PolarHBondContact O-N 3.08Å; G12-A14 PolarHBondContact O-N 2.81Å
13G59.1Low69.1Low73 Ų73126.6 Ų126.675%0.75370%0.697SS**  trans-39.6125.6-170.700000113.2T15G13-T15 PolarHBondContact O-N 3.26Å
14A61.8Low71.4Confident110 Ų110120.8 Ų120.891%0.90968%0.676SS**  trans-5697.5-168.100000112.1G12G12-A14 PolarHBondContact O-N 2.81Å
15T74.3Confident73.7Confident140 Ų140115.2 Ų115.286%0.85965%0.649SS**PPolyproline II helixtrans-82126.417152.50000108.9G13G13-T15 PolarHBondContact O-N 3.26Å
16R80.1Confident75.5Confident184 Ų184107.7 Ų107.769%0.69461%0.614SS**PPolyproline II helixtrans-97.8153.6175.766.4-173.4-172.2117.98.2111.3D19R16-D19 IonicContact CZ-OD2 3.16Å; R16-D19 IonicContact NH1-OD1 3.45Å; R16-D19 PolarHBondContact NH1-OD1 2.93Å; R16-D19 IonicContact NH1-OD2 2.73Å; R16-D19 PolarHBondContact NH1-OD2 3.1Å; R16-D19 IonicContact NH2-OD2 2.89Å; R16-D19 PolarHBondContact NH2-OD2 3.08Å
17P84.2Confident77.7Confident111 Ų111105.1 Ų105.172%0.72159%0.594SS**PPolyproline II helixtrans-54.9152.6168.5-23.534.2000111.5
18R86.7Confident79.8Confident147 Ų14799.9 Ų99.956%0.55556%0.559SS**PPolyproline II helixtrans-64.4146.4173.266.8178.6-83159.1-2.2110.3D20 Y21R18-D20 WeakPolarHBondContact CB-OD1 3.36Å; R18-D20 VanDerWaalsContact CZ-CG 3.47Å; R18-D20 IonicContact CZ-OD1 2.91Å; R18-D20 IonicContact CZ-OD2 2.76Å; R18-D20 IonicContact NE-OD1 3.04Å; R18-D20 PolarHBondContact NE-OD1 3.18Å; R18-D20 IonicContact NE-OD2 3.34Å; R18-D20 PolarHBondContact NH2-O 2.88Å; R18-D20 IonicContact NH2-OD1 2.63Å; R18-D20 PolarHBondContact NH2-OD1 3.31Å; R18-D20 VanDerWaalsContact NH2-OD1 3.1Å; R18-D20 IonicContact NH2-OD2 3.94Å; R18-D20 PolarHBondContact NH2-OD2 3.38Å; R18-Y21 HydrophobicContact CG-CD1 4.49Å; R18-Y21 VanDerWaalsContact O-CD1 3.25Å; R18-Y21 WeakPolarHBondContact O-CD1 3.4Å
19D85.3Confident81.8Confident116 Ų11694.8 Ų94.862%0.6253%0.532SS*.SBendtrans-92.2-17.3177.9-61.5-39.1000112.2R16R16-D19 IonicContact CZ-OD2 3.16Å; R16-D19 IonicContact NH1-OD1 3.45Å; R16-D19 PolarHBondContact NH1-OD1 2.93Å; R16-D19 IonicContact NH1-OD2 2.73Å; R16-D19 PolarHBondContact NH1-OD2 3.1Å; R16-D19 IonicContact NH2-OD2 2.89Å; R16-D19 PolarHBondContact NH2-OD2 3.08Å
20D87.4Confident83.7Confident101 Ų10190.2 Ų90.254%0.5450%0.504SS..SBendtrans-98.622.8-173.269.4-32.5000113R18R18-D20 WeakPolarHBondContact CB-OD1 3.36Å; R18-D20 VanDerWaalsContact CZ-CG 3.47Å; R18-D20 IonicContact CZ-OD1 2.91Å; R18-D20 IonicContact CZ-OD2 2.76Å; R18-D20 IonicContact NE-OD1 3.04Å; R18-D20 PolarHBondContact NE-OD1 3.18Å; R18-D20 IonicContact NE-OD2 3.34Å; R18-D20 PolarHBondContact NH2-O 2.88Å; R18-D20 IonicContact NH2-OD1 2.63Å; R18-D20 PolarHBondContact NH2-OD1 3.31Å; R18-D20 VanDerWaalsContact NH2-OD1 3.1Å; R18-D20 IonicContact NH2-OD2 3.94Å; R18-D20 PolarHBondContact NH2-OD2 3.38Å
21Y91.3Very high85.4Confident138 Ų13884 Ų8454%0.54147%0.473SS..PPolyproline II helixtrans-73.1156.3178.767.2-82.6000111.9R18 E23R18-Y21 HydrophobicContact CG-CD1 4.49Å; R18-Y21 VanDerWaalsContact O-CD1 3.25Å; R18-Y21 WeakPolarHBondContact O-CD1 3.4Å; Y21-E23 HydrophobicContact CE2-CG 4.19Å; Y21-E23 PolarHBondContact O-N 3.38Å
22L93.4Very high87.4Confident78 Ų7876.2 Ų76.241%0.40843%0.431SS..PPolyproline II helixtrans-77.3121.6177.3-169.263.9000110.2D26 Y27 I171L22-D26 HydrophobicContact CD1-CB 3.59Å; L22-D26 HydrophobicContact CG-CB 4.27Å; L22-Y27 HydrophobicContact CD2-CD2 4.2Å; L22-I171 HydrophobicContact CD1-CD1 3.67Å; L22-I171 HydrophobicContact CD1-CG1 4.19Å; L22-I171 HydrophobicContact CD2-CD1 4.04Å
23E94.6Very high89.4Confident71 Ų7177.7 Ų77.733%0.33242%0.422SS..PPolyproline II helixtrans-73.4153.3176.2-69.4-171.2-176.300112.1Y21 D26 Y27 K167Y21-E23 HydrophobicContact CE2-CG 4.19Å; Y21-E23 PolarHBondContact O-N 3.38Å; E23-D26 PolarHBondContact O-N 2.67Å; E23-Y27 WeakPolarHBondContact O-CB 3.27Å; E23-Y27 PolarHBondContact O-N 3.16Å; E23-K167 IonicContact OE1-NZ 2.72Å; E23-K167 PolarHBondContact OE1-NZ 2.86Å; E23-K167 WeakPolarHBondContact OE2-CE 3.5Å; E23-K167 IonicContact OE2-NZ 2.79Å; E23-K167 PolarHBondContact OE2-NZ 3.36Å
24S95.3Very high91.3Very high57 Ų5778.2 Ų78.240%0.39941%0.407SS..Hα-helixtrans-53.8-44.4-174.1-47.60000114.2Y27 F28S24-Y27 WeakPolarHBondContact O-CB 3.41Å; S24-Y27 PolarHBondContact O-N 2.89Å; S24-F28 WeakPolarHBondContact O-CD2 3.47Å; S24-F28 VanDerWaalsContact O-CG 3.25Å; S24-F28 WeakPolarHBondContact O-CG 3.25Å; S24-F28 PolarHBondContact O-N 3.45Å
25P96.8Very high93Very high45 Ų4573.5 Ų73.529%0.29237%0.367SS..Hα-helixtrans-62.2-44.3178.4-24.236.6000113.5Y27 F28 M29 Y113 F164P25-Y27 VanDerWaalsContact C-N 3.34Å; P25-F28 PolarHBondContact O-N 3.15Å; P25-M29 PolarHBondContact O-N 3.28Å; P25-M29 VanDerWaalsContact O-N 3.08Å; P25-Y113 HydrophobicContact CB-CE1 4.44Å; P25-F164 HydrophobicContact CB-CE2 3.73Å; P25-F164 HydrophobicContact CB-CZ 4.45Å
26D96.9Very high94.2Very high13 Ų1367.1 Ų67.17%0.0733%0.328CS..Hα-helixtrans-64.4-40.3175.1-62.5-92.1000110.7L22 E23 A30 F164 K167L22-D26 HydrophobicContact CD1-CB 3.59Å; L22-D26 HydrophobicContact CG-CB 4.27Å; E23-D26 PolarHBondContact O-N 2.67Å; D26-A30 WeakPolarHBondContact O-CB 3.39Å; D26-A30 PolarHBondContact O-N 2.75Å; D26-F164 HydrophobicContact CB-CZ 4.29Å; D26-K167 PolarHBondContact OD1-N 2.95Å
27Y98.1Very high95Very high110 Ų11065.7 Ų65.743%0.43133%0.33SS..Hα-helixtrans-60.1-49.3174.1170.2-107.6000112.8L22 E23 S24 P25 M29 A30 V31 I57L22-Y27 HydrophobicContact CD2-CD2 4.2Å; E23-Y27 WeakPolarHBondContact O-CB 3.27Å; E23-Y27 PolarHBondContact O-N 3.16Å; S24-Y27 WeakPolarHBondContact O-CB 3.41Å; S24-Y27 PolarHBondContact O-N 2.89Å; P25-Y27 VanDerWaalsContact C-N 3.34Å; Y27-M29 PolarHBondContact O-N 2.73Å; Y27-A30 CarbonylContact O-C 3.48Å; Y27-A30 WeakPolarHBondContact O-CB 3.25Å; Y27-A30 PolarHBondContact O-N 2.73Å; Y27-A30 VanDerWaalsContact O-N 3.15Å; Y27-V31 HydrophobicContact CD2-CG2 4.22Å; Y27-V31 HydrophobicContact CE1-CG2 4.16Å; Y27-V31 HydrophobicContact CE2-CG2 3.75Å; Y27-V31 WeakPolarHBondContact O-CG2 3.35Å; Y27-V31 PolarHBondContact O-N 3.29Å; Y27-I57 HydrophobicContact CE1-CD1 3.88Å
28F98.6Very high95.7Very high5 Ų568.3 Ų68.32%0.02233%0.325CS..Hα-helixtrans-67.4-37.3-178.6-61.3-47.9000112.6S24 P25 V31 A32 V51 N55 I57 Y113S24-F28 WeakPolarHBondContact O-CD2 3.47Å; S24-F28 VanDerWaalsContact O-CG 3.25Å; S24-F28 WeakPolarHBondContact O-CG 3.25Å; S24-F28 PolarHBondContact O-N 3.45Å; P25-F28 PolarHBondContact O-N 3.15Å; F28-V31 PolarHBondContact O-N 2.66Å; F28-A32 PolarHBondContact O-N 2.78Å; F28-A32 VanDerWaalsContact O-N 3.12Å; F28-V51 HydrophobicContact CB-CG2 4.12Å; F28-V51 HydrophobicContact CD1-CG1 4.32Å; F28-V51 HydrophobicContact CD1-CG2 3.56Å; F28-V51 HydrophobicContact CD2-CG1 4.24Å; F28-V51 HydrophobicContact CD2-CG2 4.02Å; F28-V51 HydrophobicContact CE1-CG1 3.84Å; F28-V51 HydrophobicContact CE1-CG2 3.91Å; F28-V51 HydrophobicContact CE2-CG1 3.75Å; F28-V51 HydrophobicContact CE2-CG2 4.33Å; F28-V51 HydrophobicContact CG-CG2 3.64Å; F28-V51 HydrophobicContact CZ-CG1 3.54Å; F28-V51 HydrophobicContact CZ-CG2 4.29Å; F28-N55 HydrophobicContact CE2-CB 4.37Å; F28-N55 HydrophobicContact CZ-CB 3.92Å; F28-N55 WeakPolarHBondContact CZ-O 3.41Å; F28-I57 HydrophobicContact CD1-CD1 4.34Å; F28-I57 HydrophobicContact CD1-CG1 4.03Å; F28-I57 HydrophobicContact CE1-CD1 4.44Å; F28-I57 HydrophobicContact CE1-CG1 3.94Å; F28-Y113 HydrophobicContact CB-CD1 3.87Å; F28-Y113 HydrophobicContact CB-CD2 3.68Å; F28-Y113 HydrophobicContact CB-CE1 4.03Å; F28-Y113 HydrophobicContact CB-CE2 3.85Å; F28-Y113 HydrophobicContact CB-CG 3.71Å; F28-Y113 HydrophobicContact CD2-CD2 4.49Å; F28-Y113 AromaticContact CD2-CE2 3.84Å; F28-Y113 HydrophobicContact CD2-CE2 3.84Å; F28-Y113 AromaticContact CD2-CZ 3.88Å; F28-Y113 HydrophobicContact CG-CD2 4.36Å; F28-Y113 HydrophobicContact CG-CE2 4.16Å
29M98.7Very high96.2Very high6 Ų662 Ų623%0.0330%0.303CS..Hα-helixtrans-65.7-41.3171.1-172.458.967.900110.9P25 Y27 V31 A32 F33 Y113 V135 L137 F164P25-M29 PolarHBondContact O-N 3.28Å; P25-M29 VanDerWaalsContact O-N 3.08Å; Y27-M29 PolarHBondContact O-N 2.73Å; M29-V31 VanDerWaalsContact C-N 3.32Å; M29-V31 PolarHBondContact O-N 2.79Å; M29-A32 WeakPolarHBondContact O-CB 3.46Å; M29-A32 PolarHBondContact O-N 3.1Å; M29-A32 VanDerWaalsContact O-N 3.09Å; M29-A32 HydrophobicContact SD-CB 4.48Å; M29-F33 HydrophobicContact CG-CD2 3.98Å; M29-F33 HydrophobicContact CG-CE2 3.99Å; M29-F33 WeakPolarHBondContact O-CD2 3.38Å; M29-F33 PolarHBondContact O-N 3.33Å; M29-F33 HydrophobicContact SD-CD2 3.95Å; M29-F33 HydrophobicContact SD-CE2 3.67Å; M29-Y113 HydrophobicContact CB-CD1 4.37Å; M29-Y113 HydrophobicContact CE-CD1 4.15Å; M29-V135 HydrophobicContact CE-CG1 4.21Å; M29-L137 HydrophobicContact CE-CB 4.34Å; M29-L137 HydrophobicContact SD-CB 4.16Å; M29-F164 HydrophobicContact CB-CD1 3.92Å; M29-F164 HydrophobicContact CB-CE1 3.7Å; M29-F164 HydrophobicContact CB-CG 4.49Å; M29-F164 HydrophobicContact CB-CZ 4.15Å; M29-F164 HydrophobicContact CE-CB 3.73Å; M29-F164 HydrophobicContact CE-CD1 4.05Å; M29-F164 HydrophobicContact CE-CG 3.91Å; M29-F164 HydrophobicContact CG-CD1 3.62Å; M29-F164 HydrophobicContact CG-CE1 3.78Å; M29-F164 HydrophobicContact CG-CG 4.36Å
30A98.4Very high96.7Very high25 Ų2562.3 Ų62.321%0.20730%0.299CS..Hα-helixtrans-60.2-40.5175.400000112.2D26 Y27 A32 F33 L34 I171D26-A30 WeakPolarHBondContact O-CB 3.39Å; D26-A30 PolarHBondContact O-N 2.75Å; Y27-A30 CarbonylContact O-C 3.48Å; Y27-A30 WeakPolarHBondContact O-CB 3.25Å; Y27-A30 PolarHBondContact O-N 2.73Å; Y27-A30 VanDerWaalsContact O-N 3.15Å; A30-A32 VanDerWaalsContact C-N 3.33Å; A30-A32 PolarHBondContact O-N 3.46Å; A30-F33 PolarHBondContact O-N 2.62Å; A30-L34 WeakPolarHBondContact O-CB 3.35Å; A30-L34 PolarHBondContact O-N 3.08Å; A30-I171 HydrophobicContact CB-CD1 3.59Å
31V98.7Very high97.2Very high16 Ų1657.6 Ų57.610%0.09727%0.274CS..Hα-helixtrans-60.9-41.7173.6170.80000111.1Y27 F28 M29 L34 S35 C49 I57 I60Y27-V31 HydrophobicContact CD2-CG2 4.22Å; Y27-V31 HydrophobicContact CE1-CG2 4.16Å; Y27-V31 HydrophobicContact CE2-CG2 3.75Å; Y27-V31 WeakPolarHBondContact O-CG2 3.35Å; Y27-V31 PolarHBondContact O-N 3.29Å; F28-V31 PolarHBondContact O-N 2.66Å; M29-V31 VanDerWaalsContact C-N 3.32Å; M29-V31 PolarHBondContact O-N 2.79Å; V31-L34 PolarHBondContact O-N 3.03Å; V31-S35 VanDerWaalsContact O-CB 3.28Å; V31-S35 WeakPolarHBondContact O-CB 3.21Å; V31-S35 PolarHBondContact O-N 3.45Å; V31-S35 PolarHBondContact O-OG 3.21Å; V31-C49 HydrophobicContact CG1-CB 4.16Å; V31-I57 HydrophobicContact CG1-CD1 4.18Å; V31-I57 HydrophobicContact CG2-CD1 4.08Å; V31-I60 HydrophobicContact CG1-CD1 3.94Å; V31-I60 HydrophobicContact CG1-CG1 4.38Å
32A98.8Very high97.4Very high0 Ų055.6 Ų55.60%028%0.278CS..Hα-helixtrans-60.7-44.8174.600000111.4F28 M29 A30 S35 A36 G47 C49F28-A32 PolarHBondContact O-N 2.78Å; F28-A32 VanDerWaalsContact O-N 3.12Å; M29-A32 WeakPolarHBondContact O-CB 3.46Å; M29-A32 PolarHBondContact O-N 3.1Å; M29-A32 VanDerWaalsContact O-N 3.09Å; M29-A32 HydrophobicContact SD-CB 4.48Å; A30-A32 VanDerWaalsContact C-N 3.33Å; A30-A32 PolarHBondContact O-N 3.46Å; A32-S35 PolarHBondContact O-N 2.78Å; A32-A36 PolarHBondContact O-N 3.46Å; A32-G47 VanDerWaalsContact O-CA 3.29Å; A32-G47 WeakPolarHBondContact O-CA 3.46Å; A32-C49 HydrophobicContact CB-CB 4.19Å
33F98.6Very high97.4Very high85 Ų8554.8 Ų54.837%0.37328%0.279SS..Hα-helixtrans-67.3-40.7176.9-87.5-90.7000113.6M29 A30 S35 A36 A115 L137M29-F33 HydrophobicContact CG-CD2 3.98Å; M29-F33 HydrophobicContact CG-CE2 3.99Å; M29-F33 WeakPolarHBondContact O-CD2 3.38Å; M29-F33 PolarHBondContact O-N 3.33Å; M29-F33 HydrophobicContact SD-CD2 3.95Å; M29-F33 HydrophobicContact SD-CE2 3.67Å; A30-F33 PolarHBondContact O-N 2.62Å; F33-S35 VanDerWaalsContact C-N 3.28Å; F33-S35 PolarHBondContact O-N 3.29Å; F33-A36 VanDerWaalsContact O-CB 3.3Å; F33-A36 WeakPolarHBondContact O-CB 3.49Å; F33-A36 PolarHBondContact O-N 3Å; F33-A115 HydrophobicContact CD2-CB 4.35Å; F33-A115 HydrophobicContact CE1-CB 4.11Å; F33-A115 HydrophobicContact CE2-CB 3.73Å; F33-A115 HydrophobicContact CZ-CB 3.57Å; F33-L137 HydrophobicContact CE1-CD2 4.27Å; F33-L137 HydrophobicContact CE2-CB 4.06Å; F33-L137 HydrophobicContact CE2-CD2 3.62Å; F33-L137 HydrophobicContact CE2-CG 4.4Å; F33-L137 HydrophobicContact CZ-CB 4.22Å; F33-L137 HydrophobicContact CZ-CD2 3.28Å; F33-L137 HydrophobicContact CZ-CG 4.35Å
34L98.6Very high97.4Very high84 Ų8453.3 Ų53.344%0.4428%0.277SS..Hα-helixtrans-62.8-39.4174.8-176.762.3000110.9A30 V31 A36 Q37 I173A30-L34 WeakPolarHBondContact O-CB 3.35Å; A30-L34 PolarHBondContact O-N 3.08Å; V31-L34 PolarHBondContact O-N 3.03Å; L34-A36 VanDerWaalsContact C-N 3.33Å; L34-A36 PolarHBondContact O-N 3.48Å; L34-Q37 WeakPolarHBondContact O-CB 3.04Å; L34-Q37 PolarHBondContact O-N 3.23Å; L34-I173 HydrophobicContact CD1-CD1 4Å; L34-I173 HydrophobicContact CD2-CD1 3.9Å
35S98.6Very high97.5Very high12 Ų1255.3 Ų55.38%0.08428%0.28CS..Hα-helixtrans-66.1-36.1176.9-57.60000112V31 A32 F33 Q37 R38 I60 Y62V31-S35 VanDerWaalsContact O-CB 3.28Å; V31-S35 WeakPolarHBondContact O-CB 3.21Å; V31-S35 PolarHBondContact O-N 3.45Å; V31-S35 PolarHBondContact O-OG 3.21Å; A32-S35 PolarHBondContact O-N 2.78Å; F33-S35 VanDerWaalsContact C-N 3.28Å; F33-S35 PolarHBondContact O-N 3.29Å; S35-Q37 PolarHBondContact O-N 3.15Å; S35-R38 WeakPolarHBondContact O-CB 3.38Å; S35-R38 PolarHBondContact O-N 3.27Å; S35-I60 WeakPolarHBondContact OG-CG2 3.39Å; S35-Y62 VanDerWaalsContact O-CB 3.32Å; S35-Y62 WeakPolarHBondContact O-CB 3.29Å
36A98.6Very high97.6Very high5 Ų554.3 Ų54.34%0.04127%0.273CS..Hα-helixtrans-56.8-32.6175.100000112.3A32 F33 L34 R38 S39 Q45A32-A36 PolarHBondContact O-N 3.46Å; F33-A36 VanDerWaalsContact O-CB 3.3Å; F33-A36 WeakPolarHBondContact O-CB 3.49Å; F33-A36 PolarHBondContact O-N 3Å; L34-A36 VanDerWaalsContact C-N 3.33Å; L34-A36 PolarHBondContact O-N 3.48Å; A36-R38 PolarHBondContact O-N 2.87Å; A36-R38 VanDerWaalsContact O-N 3.08Å; A36-S39 VanDerWaalsContact O-CB 3.27Å; A36-S39 WeakPolarHBondContact O-CB 3.28Å; A36-S39 PolarHBondContact O-N 2.82Å; A36-Q45 HydrophobicContact CB-CB 4.28Å
37Q98.2Very high97.7Very high154 Ų15453.7 Ų53.772%0.7227%0.269SS*.THydrogen-bonded Turntrans-65.1-10.9178.2-56.1-17326.500113.7L34 S35L34-Q37 WeakPolarHBondContact O-CB 3.04Å; L34-Q37 PolarHBondContact O-N 3.23Å; S35-Q37 PolarHBondContact O-N 3.15Å
38R98Very high97.7Very high166 Ų16648.5 Ų48.563%0.62625%0.249SC*.THydrogen-bonded Turntrans-82.2-13.5171.4-62.3-169.163.8-149.3-8.8113.7S35 A36 Y62S35-R38 WeakPolarHBondContact O-CB 3.38Å; S35-R38 PolarHBondContact O-N 3.27Å; A36-R38 PolarHBondContact O-N 2.87Å; A36-R38 VanDerWaalsContact O-N 3.08Å; R38-Y62 HydrophobicContact CB-CD1 3.79Å; R38-Y62 HydrophobicContact CB-CD2 4.04Å; R38-Y62 HydrophobicContact CB-CE1 3.63Å; R38-Y62 HydrophobicContact CB-CE2 3.86Å; R38-Y62 HydrophobicContact CB-CG 4Å; R38-Y62 HydrophobicContact CG-CE1 4.38Å; R38-Y62 PolarHBondContact NH2-OH 3.17Å; R38-Y62 WeakPolarHBondContact O-CE2 3.02Å
39S97.8Very high97.7Very high14 Ų1448.2 Ų48.210%0.09825%0.248CC..  trans-67.9135.9178.5-174.80000111A36 D41 N63A36-S39 VanDerWaalsContact O-CB 3.27Å; A36-S39 WeakPolarHBondContact O-CB 3.28Å; A36-S39 PolarHBondContact O-N 2.82Å; S39-D41 WeakPolarHBondContact OG-CB 3.25Å; S39-D41 PolarHBondContact OG-N 2.89Å; S39-N63 WeakPolarHBondContact CB-O 3.39Å; S39-N63 PolarHBondContact OG-ND2 2.67Å; S39-N63 VanDerWaalsContact OG-ND2 3.14Å; S39-N63 PolarHBondContact OG-O 2.7Å; S39-N63 PolarHBondContact OG-OD1 3.36Å
40K96.4Very high97.7Very high123 Ų12348 Ų4854%0.53525%0.246SC..  trans-92.51.3172.5-58.2-167.9-162.2143.40113.4P42 D71 W76K40-P42 WeakPolarHBondContact O-CD 3.09Å; K40-D71 HydrophobicContact CD-CB 3.98Å; K40-D71 VanDerWaalsContact CD-OD2 3.26Å; K40-D71 WeakPolarHBondContact CD-OD2 3.13Å; K40-D71 VanDerWaalsContact CE-OD2 3.3Å; K40-D71 WeakPolarHBondContact CE-OD2 3.29Å; K40-D71 IonicContact NZ-OD2 3.72Å; K40-D71 PolarHBondContact NZ-OD2 3.45Å; K40-W76 HydrophobicContact CB-CZ2 4.41Å
41D96.4Very high97.8Very high3 Ų347 Ų472%0.01624%0.238CC..  trans-65.1119.9177.4-175.1-31.2000109.6S39 S43 S44 Q45 N63 W76 K87S39-D41 WeakPolarHBondContact OG-CB 3.25Å; S39-D41 PolarHBondContact OG-N 2.89Å; D41-S43 PolarHBondContact O-N 2.85Å; D41-S43 WeakPolarHBondContact OD1-CB 3.24Å; D41-S43 PolarHBondContact OD1-N 3.47Å; D41-S44 VanDerWaalsContact CB-O 3.27Å; D41-S44 WeakPolarHBondContact CB-O 2.95Å; D41-S44 VanDerWaalsContact CG-O 3.22Å; D41-S44 PolarHBondContact OD1-N 2.87Å; D41-S44 VanDerWaalsContact OD1-N 3.13Å; D41-S44 PolarHBondContact OD2-OG 3.12Å; D41-S44 VanDerWaalsContact OD2-OG 3.06Å; D41-Q45 PolarHBondContact O-NE2 3.08Å; D41-N63 VanDerWaalsContact CB-ND2 3.27Å; D41-N63 WeakPolarHBondContact CB-ND2 3.37Å; D41-N63 PolarHBondContact OD2-ND2 3.43Å; D41-N63 VanDerWaalsContact OD2-ND2 3.11Å; D41-W76 HydrophobicContact CB-CE3 3.76Å; D41-W76 HydrophobicContact CB-CH2 4.22Å; D41-W76 HydrophobicContact CB-CZ3 3.5Å; D41-W76 VanDerWaalsContact CB-CZ3 3.5Å; D41-K87 IonicContact OD1-NZ 2.62Å; D41-K87 PolarHBondContact OD1-NZ 2.83Å; D41-K87 IonicContact OD2-NZ 2.75Å; D41-K87 PolarHBondContact OD2-NZ 3.41Å
42P95Very high97.7Very high95 Ų9547.7 Ų47.762%0.61724%0.241SC*.SBendtrans-73.9-16.6-176.129.8-35.4000113.1K40 W76K40-P42 WeakPolarHBondContact O-CD 3.09Å; P42-W76 HydrophobicContact CG-CB 4.02Å
43S93.7Very high97.7Very high61 Ų6153.9 Ų53.943%0.42727%0.27SS..SBendtrans-100.7-35.4-174.2-63.20000113.7D41D41-S43 PolarHBondContact O-N 2.85Å; D41-S43 WeakPolarHBondContact OD1-CB 3.24Å; D41-S43 PolarHBondContact OD1-N 3.47Å
44S94.3Very high97.6Very high41 Ų4155.9 Ų55.929%0.28728%0.281SS..  trans-150.2119.2-170.948.20000111.1D41 N63 K87D41-S44 VanDerWaalsContact CB-O 3.27Å; D41-S44 WeakPolarHBondContact CB-O 2.95Å; D41-S44 VanDerWaalsContact CG-O 3.22Å; D41-S44 PolarHBondContact OD1-N 2.87Å; D41-S44 VanDerWaalsContact OD1-N 3.13Å; D41-S44 PolarHBondContact OD2-OG 3.12Å; D41-S44 VanDerWaalsContact OD2-OG 3.06Å; S44-N63 PolarHBondContact O-ND2 3.47Å; S44-K87 PolarHBondContact OG-NZ 3.04Å
45Q98.3Very high97.6Very high99 Ų9956.7 Ų56.746%0.46329%0.285SS..  trans-110.4113.4174.4-537939.900108.2A36 D41A36-Q45 HydrophobicContact CB-CB 4.28Å; D41-Q45 PolarHBondContact O-NE2 3.08Å
46V98.8Very high97.6Very high24 Ų2461.6 Ų61.615%0.14531%0.305CS..  trans-123.1137.6179.2-177.40000107.6Y62 N63 A94 V114 A115 L116V46-Y62 VanDerWaalsContact O-CA 3.23Å; V46-Y62 WeakPolarHBondContact O-CA 3.23Å; V46-N63 PolarHBondContact N-OD1 3.22Å; V46-N63 PolarHBondContact O-N 2.97Å; V46-N63 PolarHBondContact O-OD1 2.87Å; V46-N63 VanDerWaalsContact O-OD1 3.08Å; V46-A94 HydrophobicContact CB-CB 4.27Å; V46-A94 HydrophobicContact CG1-CB 3.93Å; V46-A94 WeakPolarHBondContact O-CB 3.32Å; V46-V114 HydrophobicContact CG1-CG2 4.2Å; V46-A115 HydrophobicContact CG1-CB 4.33Å; V46-L116 HydrophobicContact CG1-CB 4.23Å; V46-L116 HydrophobicContact CG2-CB 4.35Å; V46-L116 HydrophobicContact CG2-CD2 4.36Å
47G98.8Very high97.6Very high0 Ų063.4 Ų63.40%031%0.314CS..EExtended strand (participates in β ladder)trans-128.3157.6172.900000111.4A32 G61 A115A32-G47 VanDerWaalsContact O-CA 3.29Å; A32-G47 WeakPolarHBondContact O-CA 3.46Å; G47-G61 CarbonylContact C-O 3.48Å; G47-G61 VanDerWaalsContact CA-O 3.29Å; G47-G61 WeakPolarHBondContact CA-O 3.32Å; G47-A115 PolarHBondContact O-N 3.01Å; G47-A115 VanDerWaalsContact O-N 3.09Å
48A98.9Very high97.6Very high0 Ų056.6 Ų56.60%028%0.283CS..EExtended strand (participates in β ladder)trans-139.7145.1-179.700000110.5I60 G61 A94 A98 M112 Y113 V114A48-I60 WeakPolarHBondContact O-CA 3.26Å; A48-G61 PolarHBondContact N-O 3.39Å; A48-G61 PolarHBondContact O-N 3.09Å; A48-A94 HydrophobicContact CB-CB 4.02Å; A48-A98 HydrophobicContact CB-CB 3.91Å; A48-M112 HydrophobicContact CB-CG 4.44Å; A48-M112 HydrophobicContact CB-SD 4.41Å; A48-Y113 CarbonylContact C-O 3.56Å; A48-Y113 VanDerWaalsContact CA-O 3.23Å; A48-Y113 WeakPolarHBondContact CA-O 3.17Å; A48-V114 HydrophobicContact CB-CB 4.33Å; A48-V114 HydrophobicContact CB-CG2 4.12Å
49C98.9Very high97.6Very high0 Ų048.9 Ų48.90%026%0.255CS..EExtended strand (participates in β ladder)trans-135.2124.5179.4177.80000109V31 A32 G59 M112 Y113V31-C49 HydrophobicContact CG1-CB 4.16Å; A32-C49 HydrophobicContact CB-CB 4.19Å; C49-G59 CarbonylContact C-O 3.48Å; C49-M112 CarbonylContact O-C 3.59Å; C49-M112 WeakPolarHBondContact O-CA 3.35Å; C49-Y113 PolarHBondContact N-O 2.91Å; C49-Y113 PolarHBondContact O-N 2.8Å
50I98.9Very high97.7Very high0 Ų051.3 Ų51.30%027%0.266CS..EExtended strand (participates in β ladder)trans-102.4130.5178-55.7175.6000108.8I57 V58 G59 A98 I99 V107 C110 T111 M112 L131I50-I57 WeakPolarHBondContact O-CA 3.39Å; I50-V58 HydrophobicContact CB-CG2 4.17Å; I50-V58 HydrophobicContact CG2-CG2 3.68Å; I50-V58 PolarHBondContact O-N 3.02Å; I50-G59 PolarHBondContact N-O 3.45Å; I50-G59 PolarHBondContact O-N 3.24Å; I50-A98 HydrophobicContact CD1-CB 3.89Å; I50-A98 HydrophobicContact CG1-CB 4Å; I50-I99 HydrophobicContact CD1-CB 4.46Å; I50-I99 HydrophobicContact CD1-CG1 3.79Å; I50-V107 HydrophobicContact CD1-CG1 4.22Å; I50-V107 HydrophobicContact CG2-CB 4.09Å; I50-V107 HydrophobicContact CG2-CG1 3.95Å; I50-C110 HydrophobicContact CG2-CB 3.58Å; I50-T111 WeakPolarHBondContact CA-O 3.48Å; I50-M112 HydrophobicContact CD1-CE 3.81Å; I50-M112 HydrophobicContact CG1-CB 4.44Å; I50-M112 HydrophobicContact CG1-CE 3.85Å; I50-M112 HydrophobicContact CG1-CG 4.46Å; I50-L131 HydrophobicContact CD1-CD2 4.48Å; I50-L131 HydrophobicContact CG1-CD2 4.42Å; I50-L131 HydrophobicContact CG2-CD2 4.09Å
51V98.8Very high97.8Very high4 Ų445.5 Ų45.52%0.02424%0.241CC..EExtended strand (participates in β ladder)trans-128.2134-174.2-1710000109.5F28 K56 I57 C110 T111 Y113F28-V51 HydrophobicContact CB-CG2 4.12Å; F28-V51 HydrophobicContact CD1-CG1 4.32Å; F28-V51 HydrophobicContact CD1-CG2 3.56Å; F28-V51 HydrophobicContact CD2-CG1 4.24Å; F28-V51 HydrophobicContact CD2-CG2 4.02Å; F28-V51 HydrophobicContact CE1-CG1 3.84Å; F28-V51 HydrophobicContact CE1-CG2 3.91Å; F28-V51 HydrophobicContact CE2-CG1 3.75Å; F28-V51 HydrophobicContact CE2-CG2 4.33Å; F28-V51 HydrophobicContact CG-CG2 3.64Å; F28-V51 HydrophobicContact CZ-CG1 3.54Å; F28-V51 HydrophobicContact CZ-CG2 4.29Å; V51-K56 WeakPolarHBondContact CA-O 3.34Å; V51-I57 HydrophobicContact CG2-CG1 4.49Å; V51-C110 WeakPolarHBondContact O-CA 3.41Å; V51-C110 VanDerWaalsContact O-CB 3.29Å; V51-C110 WeakPolarHBondContact O-CB 3.27Å; V51-T111 PolarHBondContact N-O 3.37Å; V51-T111 PolarHBondContact O-N 3.4Å; V51-Y113 HydrophobicContact CB-CE2 4.4Å; V51-Y113 HydrophobicContact CG2-CD2 3.92Å; V51-Y113 HydrophobicContact CG2-CE2 4.06Å
52N98.5Very high97.9Very high31 Ų3147.3 Ų47.317%0.16625%0.247CC..  trans-83.8178.9175.877.81.6000112.2E54 N55 K56 V58N52-E54 PolarHBondContact O-N 3.08Å; N52-E54 WeakPolarHBondContact OD1-CA 3.45Å; N52-E54 PolarHBondContact OD1-N 2.91Å; N52-N55 PolarHBondContact O-N 3.33Å; N52-N55 VanDerWaalsContact O-N 3.09Å; N52-N55 PolarHBondContact OD1-N 2.97Å; N52-K56 PolarHBondContact N-O 2.89Å; N52-K56 WeakPolarHBondContact OD1-CB 3.27Å; N52-K56 PolarHBondContact OD1-N 3.47Å; N52-K56 PolarHBondContact OD1-O 3.31Å; N52-V58 HydrophobicContact CB-CG1 4.05Å
53Q97.7Very high98.1Very high130 Ų13043.1 Ų43.161%0.60722%0.22SC*.THydrogen-bonded Turntrans-68-17.4-177-56.580.91.300113.3N55 G109Q53-N55 VanDerWaalsContact C-N 3.3Å; Q53-G109 PolarHBondContact NE2-O 3.35Å
54E97.7Very high98.2Very high128 Ų12841 Ų4160%0.59821%0.205SC*.THydrogen-bonded Turntrans-92.614.5175.8-60.7178.4179.400112.3N52 K56N52-E54 PolarHBondContact O-N 3.08Å; N52-E54 WeakPolarHBondContact OD1-CA 3.45Å; N52-E54 PolarHBondContact OD1-N 2.91Å; E54-K56 HydrophobicContact CB-CD 4.31Å; E54-K56 HydrophobicContact CB-CG 4.31Å; E54-K56 PolarHBondContact O-N 2.84Å; E54-K56 VanDerWaalsContact OE2-CE 3.25Å; E54-K56 WeakPolarHBondContact OE2-CE 3.3Å; E54-K56 IonicContact OE2-NZ 3.44Å; E54-K56 PolarHBondContact OE2-NZ 3.09Å
55N97.6Very high98.4Very high100 Ų10039.3 Ų39.354%0.53519%0.193SC..SBendtrans60.328.3-177.5-68.9-43.3000114F28 N52 Q53F28-N55 HydrophobicContact CE2-CB 4.37Å; F28-N55 HydrophobicContact CZ-CB 3.92Å; F28-N55 WeakPolarHBondContact CZ-O 3.41Å; N52-N55 PolarHBondContact O-N 3.33Å; N52-N55 VanDerWaalsContact O-N 3.09Å; N52-N55 PolarHBondContact OD1-N 2.97Å; Q53-N55 VanDerWaalsContact C-N 3.3Å
56K98.4Very high98.4Very high116 Ų11636.9 Ų36.950%0.50419%0.185SC..  trans-96.1133.1174.3-59.9172.8178.61650109.9V51 N52 E54 V58V51-K56 WeakPolarHBondContact CA-O 3.34Å; N52-K56 PolarHBondContact N-O 2.89Å; N52-K56 WeakPolarHBondContact OD1-CB 3.27Å; N52-K56 PolarHBondContact OD1-N 3.47Å; N52-K56 PolarHBondContact OD1-O 3.31Å; E54-K56 HydrophobicContact CB-CD 4.31Å; E54-K56 HydrophobicContact CB-CG 4.31Å; E54-K56 PolarHBondContact O-N 2.84Å; E54-K56 VanDerWaalsContact OE2-CE 3.25Å; E54-K56 WeakPolarHBondContact OE2-CE 3.3Å; E54-K56 IonicContact OE2-NZ 3.44Å; E54-K56 PolarHBondContact OE2-NZ 3.09Å; K56-V58 PolarHBondContact O-N 3.21Å
57I98.7Very high98.3Very high43 Ų4343 Ų4322%0.22122%0.217CC..EExtended strand (participates in β ladder)trans-72.1119.3172.5-60.4168.2000108.1Y27 F28 V31 I50 V51 I60Y27-I57 HydrophobicContact CE1-CD1 3.88Å; F28-I57 HydrophobicContact CD1-CD1 4.34Å; F28-I57 HydrophobicContact CD1-CG1 4.03Å; F28-I57 HydrophobicContact CE1-CD1 4.44Å; F28-I57 HydrophobicContact CE1-CG1 3.94Å; V31-I57 HydrophobicContact CG1-CD1 4.18Å; V31-I57 HydrophobicContact CG2-CD1 4.08Å; I50-I57 WeakPolarHBondContact O-CA 3.39Å; V51-I57 HydrophobicContact CG2-CG1 4.49Å; I57-I60 HydrophobicContact CG2-CD1 3.91Å; I57-I60 HydrophobicContact CG2-CG1 3.61Å
58V98.6Very high98.1Very high11 Ų1147.2 Ų47.27%0.06726%0.261CS..EExtended strand (participates in β ladder)trans-112.6-7.2-177.7-65.10000113.5I50 N52 K56 K102 N103 V107I50-V58 HydrophobicContact CB-CG2 4.17Å; I50-V58 HydrophobicContact CG2-CG2 3.68Å; I50-V58 PolarHBondContact O-N 3.02Å; N52-V58 HydrophobicContact CB-CG1 4.05Å; K56-V58 PolarHBondContact O-N 3.21Å; V58-K102 CarbonylContact O-C 3.6Å; V58-K102 WeakPolarHBondContact O-CA 3.4Å; V58-K102 WeakPolarHBondContact O-CB 3.3Å; V58-N103 VanDerWaalsContact CA-OD1 3.24Å; V58-N103 WeakPolarHBondContact CA-OD1 3.37Å; V58-N103 PolarHBondContact O-N 3.21Å; V58-N103 PolarHBondContact O-OD1 2.96Å; V58-N103 VanDerWaalsContact O-OD1 3.08Å; V58-V107 HydrophobicContact CG2-CG1 4.12Å
59G98.6Very high97.9Very high4 Ų450 Ų504%0.04128%0.28CS..EExtended strand (participates in β ladder)trans-164.7143.4175.500000111.9C49 I50C49-G59 CarbonylContact C-O 3.48Å; I50-G59 PolarHBondContact N-O 3.45Å; I50-G59 PolarHBondContact O-N 3.24Å
60I98.8Very high97.5Very high65 Ų6553.6 Ų53.633%0.33330%0.299SS..EExtended strand (participates in β ladder)trans-135.9138.5177.3-62177.4000108.5V31 S35 A48 I57 N101V31-I60 HydrophobicContact CG1-CD1 3.94Å; V31-I60 HydrophobicContact CG1-CG1 4.38Å; S35-I60 WeakPolarHBondContact OG-CG2 3.39Å; A48-I60 WeakPolarHBondContact O-CA 3.26Å; I57-I60 HydrophobicContact CG2-CD1 3.91Å; I57-I60 HydrophobicContact CG2-CG1 3.61Å; I60-N101 WeakPolarHBondContact O-CB 3.36Å; I60-N101 PolarHBondContact O-ND2 2.99Å
61G98.6Very high96.7Very high0 Ų054.7 Ų54.70%031%0.305CS..EExtended strand (participates in β ladder)trans-145.8157.717800000112.7G47 A48G47-G61 CarbonylContact C-O 3.48Å; G47-G61 VanDerWaalsContact CA-O 3.29Å; G47-G61 WeakPolarHBondContact CA-O 3.32Å; A48-G61 PolarHBondContact N-O 3.39Å; A48-G61 PolarHBondContact O-N 3.09Å
62Y98.8Very high96.1Very high41 Ų4160.8 Ų60.816%0.16134%0.337CS..EExtended strand (participates in β ladder)trans-143.9161.8168.559.1-86.3000108.2S35 R38 V46 C64 N97S35-Y62 VanDerWaalsContact O-CB 3.32Å; S35-Y62 WeakPolarHBondContact O-CB 3.29Å; R38-Y62 HydrophobicContact CB-CD1 3.79Å; R38-Y62 HydrophobicContact CB-CD2 4.04Å; R38-Y62 HydrophobicContact CB-CE1 3.63Å; R38-Y62 HydrophobicContact CB-CE2 3.86Å; R38-Y62 HydrophobicContact CB-CG 4Å; R38-Y62 HydrophobicContact CG-CE1 4.38Å; R38-Y62 PolarHBondContact NH2-OH 3.17Å; R38-Y62 WeakPolarHBondContact O-CE2 3.02Å; V46-Y62 VanDerWaalsContact O-CA 3.23Å; V46-Y62 WeakPolarHBondContact O-CA 3.23Å; Y62-C64 HydrophobicContact CD2-CB 4.09Å; Y62-C64 HydrophobicContact CE2-CB 3.72Å; Y62-C64 PolarHBondContact O-N 2.76Å; Y62-N97 PolarHBondContact O-ND2 3.47Å
63N98.3Very high95.7Very high7 Ų766.1 Ų66.14%0.03737%0.365CS..  trans-73.5127.1179.261.4-63.7000111.5S39 D41 S44 V46 V91 C92S39-N63 WeakPolarHBondContact CB-O 3.39Å; S39-N63 PolarHBondContact OG-ND2 2.67Å; S39-N63 VanDerWaalsContact OG-ND2 3.14Å; S39-N63 PolarHBondContact OG-O 2.7Å; S39-N63 PolarHBondContact OG-OD1 3.36Å; D41-N63 VanDerWaalsContact CB-ND2 3.27Å; D41-N63 WeakPolarHBondContact CB-ND2 3.37Å; D41-N63 PolarHBondContact OD2-ND2 3.43Å; D41-N63 VanDerWaalsContact OD2-ND2 3.11Å; S44-N63 PolarHBondContact O-ND2 3.47Å; V46-N63 PolarHBondContact N-OD1 3.22Å; V46-N63 PolarHBondContact O-N 2.97Å; V46-N63 PolarHBondContact O-OD1 2.87Å; V46-N63 VanDerWaalsContact O-OD1 3.08Å; N63-V91 HydrophobicContact CB-CG2 4.39Å; N63-C92 WeakPolarHBondContact CA-O 3.29Å; N63-C92 WeakPolarHBondContact CB-O 3.23Å
64C97.2Very high95.5Very high17 Ų1762 Ų6212%0.11535%0.347CS..BIsolated β-bridgetrans-156.5171.5-179.266.60000111.2Y62 C92 N97Y62-C64 HydrophobicContact CD2-CB 4.09Å; Y62-C64 HydrophobicContact CE2-CB 3.72Å; Y62-C64 PolarHBondContact O-N 2.76Å; C64-C92 PolarHBondContact N-O 2.84Å; C64-C92 VanDerWaalsContact N-O 3.15Å; C64-C92 WeakPolarHBondContact O-CB 3.3Å; C64-C92 PolarHBondContact O-N 3.03Å; C64-N97 PolarHBondContact SG-ND2 2.79Å
65M97.6Very high95.4Very high6 Ų657.3 Ų57.33%0.0333%0.328CS..PPolyproline II helixtrans-68.6162.6168.2-60.9-60.517800111C69 D71 L74 P75 W76M65-C69 HydrophobicContact CB-CB 4.21Å; M65-D71 WeakPolarHBondContact CB-OD1 3.46Å; M65-D71 WeakPolarHBondContact CG-OD1 3.45Å; M65-D71 PolarHBondContact N-OD1 2.86Å; M65-L74 HydrophobicContact CB-CD1 4.03Å; M65-L74 HydrophobicContact CE-CB 3.65Å; M65-L74 HydrophobicContact CG-CB 4.2Å; M65-L74 HydrophobicContact CG-CD1 3.82Å; M65-L74 HydrophobicContact SD-CB 3.91Å; M65-L74 HydrophobicContact SD-CD1 3.69Å; M65-L74 HydrophobicContact SD-CG 4.47Å; M65-P75 WeakPolarHBondContact CE-O 3.44Å; M65-W76 HydrophobicContact CE-CD2 3.83Å; M65-W76 HydrophobicContact CE-CE3 3.97Å; M65-W76 HydrophobicContact CE-CH2 3.83Å; M65-W76 HydrophobicContact CE-CZ2 3.68Å; M65-W76 HydrophobicContact CE-CZ3 3.96Å; M65-W76 HydrophobicContact CG-CH2 4.1Å; M65-W76 HydrophobicContact CG-CZ2 3.8Å; M65-W76 HydrophobicContact SD-CH2 4.37Å; M65-W76 HydrophobicContact SD-CZ2 4.42Å
66P97.8Very high95.3Very high47 Ų4754.4 Ų54.431%0.30531%0.31SS..PPolyproline II helixtrans-63.1158.3179.9-20.834000112.4G68 C69 Y90P66-G68 PolarHBondContact O-N 2.91Å; P66-C69 WeakPolarHBondContact O-CB 3.47Å; P66-C69 PolarHBondContact O-N 3.3Å; P66-Y90 VanDerWaalsContact CD-O 3.28Å; P66-Y90 WeakPolarHBondContact CD-O 3.37Å
67N96.5Very high95.1Very high152 Ų15251.7 Ų51.781%0.81331%0.305SS*.THydrogen-bonded Turntrans-56.6128.8178.3-70.5-22.7000111.5C69N67-C69 VanDerWaalsContact C-N 3.29Å
68G95.8Very high94.8Very high90 Ų9055.1 Ų55.193%0.92832%0.315SS*.THydrogen-bonded Turntrans83.9-3.6-178.600000114.7P66P66-G68 PolarHBondContact O-N 2.91Å
69C95.2Very high94.6Very high59 Ų5959.2 Ų59.240%0.39934%0.344SS..  trans-92.5128.5171.1-60.10000110.3M65 P66 N67 D71 L74M65-C69 HydrophobicContact CB-CB 4.21Å; P66-C69 WeakPolarHBondContact O-CB 3.47Å; P66-C69 PolarHBondContact O-N 3.3Å; N67-C69 VanDerWaalsContact C-N 3.29Å; C69-D71 PolarHBondContact O-N 2.77Å; C69-L74 HydrophobicContact CB-CD1 3.7Å
70D89.3Confident94.3Very high75 Ų7560.9 Ų60.940%0.40136%0.358SS..  trans-76.8120.2179.6-170.6-12.1000111N72 L73 L74D70-N72 PolarHBondContact O-N 3.29Å; D70-N72 VanDerWaalsContact O-N 3.12Å; D70-N72 WeakPolarHBondContact OD1-CB 3.23Å; D70-N72 PolarHBondContact OD1-N 2.78Å; D70-N72 PolarHBondContact OD1-ND2 3.19Å; D70-L73 HydrophobicContact CB-CB 4.27Å; D70-L73 HydrophobicContact CB-CD1 3.92Å; D70-L73 HydrophobicContact CB-CG 3.9Å; D70-L73 PolarHBondContact O-N 3.32Å; D70-L74 PolarHBondContact O-N 2.83Å
71D81.9Confident94.1Very high23 Ų2366.3 Ų66.312%0.12339%0.387CS..THydrogen-bonded Turntrans-59-19.7175.7-67.3-41.2000113.2K40 M65 C69 W76K40-D71 HydrophobicContact CD-CB 3.98Å; K40-D71 VanDerWaalsContact CD-OD2 3.26Å; K40-D71 WeakPolarHBondContact CD-OD2 3.13Å; K40-D71 VanDerWaalsContact CE-OD2 3.3Å; K40-D71 WeakPolarHBondContact CE-OD2 3.29Å; K40-D71 IonicContact NZ-OD2 3.72Å; K40-D71 PolarHBondContact NZ-OD2 3.45Å; M65-D71 WeakPolarHBondContact CB-OD1 3.46Å; M65-D71 WeakPolarHBondContact CG-OD1 3.45Å; M65-D71 PolarHBondContact N-OD1 2.86Å; C69-D71 PolarHBondContact O-N 2.77Å; D71-W76 HydrophobicContact CB-CZ2 4.08Å; D71-W76 PolarHBondContact O-NE1 3.48Å; D71-W76 WeakPolarHBondContact OD1-CZ2 3.48Å
72N86.6Confident93.9Very high131 Ų13169.7 Ų69.770%0.70141%0.405SS*.THydrogen-bonded Turntrans-85-16.4177.9-57.2-57.7000113.2D70D70-N72 PolarHBondContact O-N 3.29Å; D70-N72 VanDerWaalsContact O-N 3.12Å; D70-N72 WeakPolarHBondContact OD1-CB 3.23Å; D70-N72 PolarHBondContact OD1-N 2.78Å; D70-N72 PolarHBondContact OD1-ND2 3.19Å
73L90Very high93.7Very high144 Ų14471.1 Ų71.175%0.75442%0.42SS*.THydrogen-bonded Turntrans-99.7-26.3-178.2-61-178.7000112.5D70D70-L73 HydrophobicContact CB-CB 4.27Å; D70-L73 HydrophobicContact CB-CD1 3.92Å; D70-L73 HydrophobicContact CB-CG 3.9Å; D70-L73 PolarHBondContact O-N 3.32Å
74L93.6Very high93.6Very high42 Ų4275.1 Ų75.122%0.2244%0.441CS..SBendtrans-91.3147.4179.7-70.5174.9000112.2M65 C69 D70 Y90M65-L74 HydrophobicContact CB-CD1 4.03Å; M65-L74 HydrophobicContact CE-CB 3.65Å; M65-L74 HydrophobicContact CG-CB 4.2Å; M65-L74 HydrophobicContact CG-CD1 3.82Å; M65-L74 HydrophobicContact SD-CB 3.91Å; M65-L74 HydrophobicContact SD-CD1 3.69Å; M65-L74 HydrophobicContact SD-CG 4.47Å; C69-L74 HydrophobicContact CB-CD1 3.7Å; D70-L74 PolarHBondContact O-N 2.83Å; L74-Y90 HydrophobicContact CD1-CG 4.46Å; L74-Y90 HydrophobicContact CD2-CD1 3.99Å; L74-Y90 HydrophobicContact CD2-CD2 4.44Å; L74-Y90 HydrophobicContact CD2-CE1 4.25Å; L74-Y90 HydrophobicContact CD2-CG 4.09Å
75P94.6Very high93.4Very high31 Ų3178.8 Ų78.820%0.20146%0.459CS..  trans-72.6132.8-175.928.4-34.3000111.9M65 N85 K87 Y90M65-P75 WeakPolarHBondContact CE-O 3.44Å; P75-N85 VanDerWaalsContact CB-O 3.31Å; P75-N85 WeakPolarHBondContact CB-O 3.35Å; P75-K87 WeakPolarHBondContact O-CA 3.42Å; P75-K87 VanDerWaalsContact O-CB 3.25Å; P75-K87 WeakPolarHBondContact O-CB 3.48Å; P75-K87 PolarHBondContact O-N 3.35Å; P75-Y90 HydrophobicContact CG-CD2 3.88Å; P75-Y90 HydrophobicContact CG-CE2 3.67Å
76W95.6Very high93.3Very high39 Ų3978.9 Ų78.915%0.14846%0.46CS..  trans-96.6-5.1169.6-73.5104.6000113.7K40 D41 P42 M65 D71 K87 V91K40-W76 HydrophobicContact CB-CZ2 4.41Å; D41-W76 HydrophobicContact CB-CE3 3.76Å; D41-W76 HydrophobicContact CB-CH2 4.22Å; D41-W76 HydrophobicContact CB-CZ3 3.5Å; D41-W76 VanDerWaalsContact CB-CZ3 3.5Å; P42-W76 HydrophobicContact CG-CB 4.02Å; M65-W76 HydrophobicContact CE-CD2 3.83Å; M65-W76 HydrophobicContact CE-CE3 3.97Å; M65-W76 HydrophobicContact CE-CH2 3.83Å; M65-W76 HydrophobicContact CE-CZ2 3.68Å; M65-W76 HydrophobicContact CE-CZ3 3.96Å; M65-W76 HydrophobicContact CG-CH2 4.1Å; M65-W76 HydrophobicContact CG-CZ2 3.8Å; M65-W76 HydrophobicContact SD-CH2 4.37Å; M65-W76 HydrophobicContact SD-CZ2 4.42Å; D71-W76 HydrophobicContact CB-CZ2 4.08Å; D71-W76 PolarHBondContact O-NE1 3.48Å; D71-W76 WeakPolarHBondContact OD1-CZ2 3.48Å; W76-K87 HydrophobicContact CE3-CB 4.44Å; W76-K87 HydrophobicContact CE3-CD 4.22Å; W76-V91 HydrophobicContact CH2-CG2 4.41Å; W76-V91 HydrophobicContact CZ3-CG2 3.96Å
77S94.6Very high93.2Very high59 Ų5977 Ų7741%0.41345%0.447SS..  trans-63147-177.8-171.50000111.8S79 T86 K87S77-S79 PolarHBondContact OG-N 2.91Å; S77-S79 PolarHBondContact OG-O 2.63Å; S77-T86 CarbonylContact O-C 3.57Å; S77-T86 WeakPolarHBondContact O-CA 3.46Å; S77-K87 PolarHBondContact O-N 3.45Å
78R93.6Very high93.1Very high115 Ų11575.7 Ų75.743%0.43443%0.432SS..SBendtrans-93.5-9.9175-67.1-176.767.3-177.6-2.2113.2Y88R78-Y88 WeakPolarHBondContact CB-OH 3.48Å; R78-Y88 PolarHBondContact NE-OH 3.29Å; R78-Y88 VanDerWaalsContact O-CE2 3.28Å; R78-Y88 WeakPolarHBondContact O-CE2 3.18Å; R78-Y88 PolarHBondContact O-OH 3.15Å
79S93.3Very high93Very high97 Ų9777.9 Ų77.968%0.67842%0.416SS*.  trans-149.8133.4-176.6-179.50000109.5S77S77-S79 PolarHBondContact OG-N 2.91Å; S77-S79 PolarHBondContact OG-O 2.63Å
80A93.1Very high93.1Very high39 Ų3978.3 Ų78.332%0.32241%0.41SS..  trans-160.1159173.200000107.6D82 N85 T86A80-D82 VanDerWaalsContact C-N 3.33Å; A80-D82 WeakPolarHBondContact CB-O 3.47Å; A80-N85 HydrophobicContact CB-CB 3.68Å; A80-T86 HydrophobicContact CB-CG2 3.9Å
81D94.5Very high93.5Very high178 Ų17875.8 Ų75.895%0.95240%0.397SS*.SBendtrans-64.5-40.8176.7-63.7-28.8000111.4
82D95Very high94.3Very high71 Ų7175.8 Ų75.838%0.3840%0.398SS..SBendtrans-93.2120.5170.9-175.5-13000109.7A80 L84 N85A80-D82 VanDerWaalsContact C-N 3.33Å; A80-D82 WeakPolarHBondContact CB-O 3.47Å; D82-L84 PolarHBondContact O-N 2.87Å; D82-L84 VanDerWaalsContact O-N 3.13Å; D82-L84 WeakPolarHBondContact OD1-CB 3.39Å; D82-L84 PolarHBondContact OD1-N 3.39Å; D82-N85 WeakPolarHBondContact O-CB 3.41Å; D82-N85 PolarHBondContact O-N 2.74Å
83P93.6Very high94.8Very high71 Ų7173 Ų7346%0.46138%0.381SS..G310 helixtrans-55.2-27.5176.1-25.234.6000114.5N85 T86 F89P83-N85 PolarHBondContact O-N 3.13Å; P83-T86 WeakPolarHBondContact O-CB 3.07Å; P83-T86 PolarHBondContact O-N 3.21Å; P83-T86 PolarHBondContact O-OG1 2.82Å; P83-F89 HydrophobicContact CB-CD2 4.47Å; P83-F89 HydrophobicContact CB-CE2 3.52Å; P83-F89 HydrophobicContact CB-CZ 4.23Å; P83-F89 WeakPolarHBondContact O-CD2 3.27Å
84L95.2Very high95.2Very high91 Ų9166.1 Ų66.148%0.47635%0.345SS..G310 helixtrans-66.8-16.5174.7-63.7177.5000113.1D82 T86 Y90D82-L84 PolarHBondContact O-N 2.87Å; D82-L84 VanDerWaalsContact O-N 3.13Å; D82-L84 WeakPolarHBondContact OD1-CB 3.39Å; D82-L84 PolarHBondContact OD1-N 3.39Å; L84-T86 VanDerWaalsContact C-N 3.26Å; L84-Y90 VanDerWaalsContact O-CE2 3.23Å; L84-Y90 WeakPolarHBondContact O-CE2 3.27Å; L84-Y90 PolarHBondContact O-OH 3.32Å; L84-Y90 VanDerWaalsContact O-OH 3.05Å
85N94.6Very high95.5Very high94 Ų9464.6 Ų64.650%0.50334%0.337SS..G310 helixtrans-92.316.1173.4-66.6-42.3000112.4P75 A80 D82 P83P75-N85 VanDerWaalsContact CB-O 3.31Å; P75-N85 WeakPolarHBondContact CB-O 3.35Å; A80-N85 HydrophobicContact CB-CB 3.68Å; D82-N85 WeakPolarHBondContact O-CB 3.41Å; D82-N85 PolarHBondContact O-N 2.74Å; P83-N85 PolarHBondContact O-N 3.13Å
86T95.6Very high95.7Very high9 Ų965.5 Ų65.56%0.05534%0.34CS..SBendtrans-114.3156.2174.175.50000111.5S77 A80 P83 L84 Y88 Y90S77-T86 CarbonylContact O-C 3.57Å; S77-T86 WeakPolarHBondContact O-CA 3.46Å; A80-T86 HydrophobicContact CB-CG2 3.9Å; P83-T86 WeakPolarHBondContact O-CB 3.07Å; P83-T86 PolarHBondContact O-N 3.21Å; P83-T86 PolarHBondContact O-OG1 2.82Å; L84-T86 VanDerWaalsContact C-N 3.26Å; T86-Y88 PolarHBondContact O-N 3.25Å; T86-Y88 WeakPolarHBondContact OG1-CD2 3.48Å; T86-Y90 WeakPolarHBondContact O-CD2 3.2Å; T86-Y90 WeakPolarHBondContact O-CE2 3.43Å
87K95.6Very high95.8Very high8 Ų864.4 Ų64.44%0.03534%0.337CS..G310 helixtrans-64.8-22.1-179.771.8178.9-178.8-178.30114.5D41 S44 P75 W76 S77 F89 Y90 V91D41-K87 IonicContact OD1-NZ 2.62Å; D41-K87 PolarHBondContact OD1-NZ 2.83Å; D41-K87 IonicContact OD2-NZ 2.75Å; D41-K87 PolarHBondContact OD2-NZ 3.41Å; S44-K87 PolarHBondContact OG-NZ 3.04Å; P75-K87 WeakPolarHBondContact O-CA 3.42Å; P75-K87 VanDerWaalsContact O-CB 3.25Å; P75-K87 WeakPolarHBondContact O-CB 3.48Å; P75-K87 PolarHBondContact O-N 3.35Å; W76-K87 HydrophobicContact CE3-CB 4.44Å; W76-K87 HydrophobicContact CE3-CD 4.22Å; S77-K87 PolarHBondContact O-N 3.45Å; K87-F89 VanDerWaalsContact C-N 3.26Å; K87-F89 PolarHBondContact O-N 3.25Å; K87-F89 VanDerWaalsContact O-N 3.15Å; K87-Y90 PolarHBondContact O-N 3.14Å; K87-V91 HydrophobicContact CB-CB 4.48Å; K87-V91 HydrophobicContact CB-CG1 4.48Å; K87-V91 HydrophobicContact CG-CG1 4.27Å; K87-V91 WeakPolarHBondContact O-CB 3.38Å; K87-V91 VanDerWaalsContact O-CG1 3.31Å; K87-V91 WeakPolarHBondContact O-CG1 3.31Å; K87-V91 PolarHBondContact O-N 2.71Å
88Y94.3Very high96Very high124 Ų12461.6 Ų61.649%0.48632%0.317SS..G310 helixtrans-64.8-24.3-163.2-59-60.4000114.4R78 T86R78-Y88 WeakPolarHBondContact CB-OH 3.48Å; R78-Y88 PolarHBondContact NE-OH 3.29Å; R78-Y88 VanDerWaalsContact O-CE2 3.28Å; R78-Y88 WeakPolarHBondContact O-CE2 3.18Å; R78-Y88 PolarHBondContact O-OH 3.15Å; T86-Y88 PolarHBondContact O-N 3.25Å; T86-Y88 WeakPolarHBondContact OG1-CD2 3.48Å
89F93.8Very high96.3Very high136 Ų13656.9 Ų56.960%0.59630%0.3SS*.G310 helixtrans-81.7-19.8175.6-74.5-80.1000114.1P83 K87P83-F89 HydrophobicContact CB-CD2 4.47Å; P83-F89 HydrophobicContact CB-CE2 3.52Å; P83-F89 HydrophobicContact CB-CZ 4.23Å; P83-F89 WeakPolarHBondContact O-CD2 3.27Å; K87-F89 VanDerWaalsContact C-N 3.26Å; K87-F89 PolarHBondContact O-N 3.25Å; K87-F89 VanDerWaalsContact O-N 3.15Å
90Y96.6Very high96.5Very high68 Ų6858.2 Ų58.227%0.26730%0.297SS..THydrogen-bonded Turntrans-113.3-36.2-168.3-49.7-70.7000112.5P66 L74 P75 L84 T86 K87 C92P66-Y90 VanDerWaalsContact CD-O 3.28Å; P66-Y90 WeakPolarHBondContact CD-O 3.37Å; L74-Y90 HydrophobicContact CD1-CG 4.46Å; L74-Y90 HydrophobicContact CD2-CD1 3.99Å; L74-Y90 HydrophobicContact CD2-CD2 4.44Å; L74-Y90 HydrophobicContact CD2-CE1 4.25Å; L74-Y90 HydrophobicContact CD2-CG 4.09Å; P75-Y90 HydrophobicContact CG-CD2 3.88Å; P75-Y90 HydrophobicContact CG-CE2 3.67Å; L84-Y90 VanDerWaalsContact O-CE2 3.23Å; L84-Y90 WeakPolarHBondContact O-CE2 3.27Å; L84-Y90 PolarHBondContact O-OH 3.32Å; L84-Y90 VanDerWaalsContact O-OH 3.05Å; T86-Y90 WeakPolarHBondContact O-CD2 3.2Å; T86-Y90 WeakPolarHBondContact O-CE2 3.43Å; K87-Y90 PolarHBondContact O-N 3.14Å; Y90-C92 PolarHBondContact O-N 2.74Å
91V97.5Very high96.8Very high21 Ų2160.4 Ų60.413%0.12730%0.304CS..PPolyproline II helixtrans-67.6128.5-17370.10000111.4N63 W76 K87N63-V91 HydrophobicContact CB-CG2 4.39Å; W76-V91 HydrophobicContact CH2-CG2 4.41Å; W76-V91 HydrophobicContact CZ3-CG2 3.96Å; K87-V91 HydrophobicContact CB-CB 4.48Å; K87-V91 HydrophobicContact CB-CG1 4.48Å; K87-V91 HydrophobicContact CG-CG1 4.27Å; K87-V91 WeakPolarHBondContact O-CB 3.38Å; K87-V91 VanDerWaalsContact O-CG1 3.31Å; K87-V91 WeakPolarHBondContact O-CG1 3.31Å; K87-V91 PolarHBondContact O-N 2.71Å
92C98.3Very high96.9Very high23 Ų2355.2 Ų55.216%0.15527%0.273CS..BIsolated β-bridgetrans-87.1134.5167.1-66.10000109.5N63 C64 Y90 L96N63-C92 WeakPolarHBondContact CA-O 3.29Å; N63-C92 WeakPolarHBondContact CB-O 3.23Å; C64-C92 PolarHBondContact N-O 2.84Å; C64-C92 VanDerWaalsContact N-O 3.15Å; C64-C92 WeakPolarHBondContact O-CB 3.3Å; C64-C92 PolarHBondContact O-N 3.03Å; Y90-C92 PolarHBondContact O-N 2.74Å; C92-L96 HydrophobicContact CB-CD2 4.22Å
93H98.6Very high96.9Very high73 Ų7358 Ų5834%0.33829%0.288SS..PPolyproline II helixtrans-75.6160.6177.1-76.2-158.7000112.1E95 L96 N97 C122H93-E95 VanDerWaalsContact C-N 3.3Å; H93-E95 PolarHBondContact O-N 3.31Å; H93-L96 PolarHBondContact O-N 3.12Å; H93-N97 PolarHBondContact O-N 2.86Å; H93-C122 WeakPolarHBondContact CB-SG 3.42Å; H93-C122 PolarHBondContact ND1-SG 3.48Å
94A98.8Very high97Very high0 Ų056.5 Ų56.50%028%0.278CS..Hα-helixtrans-61.6-39.2-177.600000112.4V46 A48 N97 A98V46-A94 HydrophobicContact CB-CB 4.27Å; V46-A94 HydrophobicContact CG1-CB 3.93Å; V46-A94 WeakPolarHBondContact O-CB 3.32Å; A48-A94 HydrophobicContact CB-CB 4.02Å; A94-N97 PolarHBondContact O-N 3.42Å; A94-A98 WeakPolarHBondContact O-CB 3.33Å; A94-A98 PolarHBondContact O-N 3.08Å
95E98.9Very high97Very high9 Ų957.1 Ų57.14%0.04230%0.297CS..Hα-helixtrans-65-44.8-179.1-52.394.9114.700111.2H93 A98 I99 M112 V114 P118 C122H93-E95 VanDerWaalsContact C-N 3.3Å; H93-E95 PolarHBondContact O-N 3.31Å; E95-A98 PolarHBondContact O-N 3.21Å; E95-I99 WeakPolarHBondContact O-CG1 3.25Å; E95-I99 PolarHBondContact O-N 3.04Å; E95-I99 VanDerWaalsContact O-N 3.15Å; E95-M112 HydrophobicContact CB-CE 4.05Å; E95-M112 HydrophobicContact CB-SD 3.79Å; E95-M112 HydrophobicContact CG-SD 3.75Å; E95-V114 HydrophobicContact CG-CG2 3.99Å; E95-P118 HydrophobicContact CG-CB 4.25Å; E95-P118 VanDerWaalsContact OE1-CA 3.24Å; E95-P118 WeakPolarHBondContact OE1-CA 3.35Å; E95-P118 WeakPolarHBondContact OE1-CB 3.3Å; E95-C122 HydrophobicContact CB-CB 3.92Å; E95-C122 HydrophobicContact CG-CB 4.14Å; E95-C122 WeakPolarHBondContact OE1-CB 3.42Å
96L98.8Very high97.2Very high51 Ų5156 Ų5627%0.26729%0.291SS..Hα-helixtrans-58-53.6173.4-178.4162.5000109.6C92 H93 A98 I99 M100 L125C92-L96 HydrophobicContact CB-CD2 4.22Å; H93-L96 PolarHBondContact O-N 3.12Å; L96-A98 VanDerWaalsContact C-N 3.29Å; L96-A98 PolarHBondContact O-N 3.09Å; L96-I99 PolarHBondContact O-N 3.05Å; L96-I99 VanDerWaalsContact O-N 3.17Å; L96-M100 HydrophobicContact CD2-CG 3.83Å; L96-M100 WeakPolarHBondContact O-CG 3.28Å; L96-M100 PolarHBondContact O-N 2.88Å; L96-L125 HydrophobicContact CB-CD1 3.77Å; L96-L125 HydrophobicContact CD1-CD1 3.86Å; L96-L125 HydrophobicContact CG-CD1 3.78Å
97N98.8Very high97.3Very high15 Ų1555.8 Ų55.88%0.0829%0.289CS..Hα-helixtrans-62.4-36.6-177.5-74.9-23.7000111.9Y62 C64 H93 A94 I99 M100 N101Y62-N97 PolarHBondContact O-ND2 3.47Å; C64-N97 PolarHBondContact SG-ND2 2.79Å; H93-N97 PolarHBondContact O-N 2.86Å; A94-N97 PolarHBondContact O-N 3.42Å; N97-I99 PolarHBondContact O-N 3.43Å; N97-M100 PolarHBondContact O-N 3.15Å; N97-N101 WeakPolarHBondContact O-CB 3.48Å; N97-N101 PolarHBondContact O-N 2.76Å; N97-N101 PolarHBondContact O-ND2 3.34Å
98A98.8Very high97.5Very high0 Ų061.8 Ų61.80%032%0.315CS..Hα-helixtrans-64.8-39176.700000112.7A48 I50 A94 E95 L96 M112A48-A98 HydrophobicContact CB-CB 3.91Å; I50-A98 HydrophobicContact CD1-CB 3.89Å; I50-A98 HydrophobicContact CG1-CB 4Å; A94-A98 WeakPolarHBondContact O-CB 3.33Å; A94-A98 PolarHBondContact O-N 3.08Å; E95-A98 PolarHBondContact O-N 3.21Å; L96-A98 VanDerWaalsContact C-N 3.29Å; L96-A98 PolarHBondContact O-N 3.09Å; A98-M112 HydrophobicContact CB-CE 4.48Å
99I98.8Very high97.7Very high16 Ų1657 Ų578%0.08230%0.304CS..Hα-helixtrans-69.1-39.8176.2-67.7167.9000111.1I50 E95 L96 N97 K102 M112 L125 I126 A129 L131I50-I99 HydrophobicContact CD1-CB 4.46Å; I50-I99 HydrophobicContact CD1-CG1 3.79Å; E95-I99 WeakPolarHBondContact O-CG1 3.25Å; E95-I99 PolarHBondContact O-N 3.04Å; E95-I99 VanDerWaalsContact O-N 3.15Å; L96-I99 PolarHBondContact O-N 3.05Å; L96-I99 VanDerWaalsContact O-N 3.17Å; N97-I99 PolarHBondContact O-N 3.43Å; I99-K102 WeakPolarHBondContact O-CG 3.37Å; I99-K102 PolarHBondContact O-NZ 2.83Å; I99-M112 HydrophobicContact CD1-CE 4.13Å; I99-M112 HydrophobicContact CG1-CE 3.96Å; I99-L125 HydrophobicContact CD1-CB 4Å; I99-I126 HydrophobicContact CD1-CG1 4.24Å; I99-A129 HydrophobicContact CD1-CB 4.11Å; I99-A129 HydrophobicContact CG1-CB 4.42Å; I99-A129 HydrophobicContact CG2-CB 3.89Å; I99-L131 HydrophobicContact CD1-CD1 4.19Å; I99-L131 HydrophobicContact CG1-CD1 4.24Å
100M98.5Very high97.9Very high126 Ų12650.8 Ų50.862%0.62128%0.277SS*.Hα-helixtrans-74.5-35.1-179.1-66.2-52.2-63.700112.6L96 N97 K102L96-M100 HydrophobicContact CD2-CG 3.83Å; L96-M100 WeakPolarHBondContact O-CG 3.28Å; L96-M100 PolarHBondContact O-N 2.88Å; N97-M100 PolarHBondContact O-N 3.15Å; M100-K102 PolarHBondContact O-N 3.26Å
101N98.3Very high98Very high85 Ų8548.9 Ų48.946%0.45527%0.273SS..THydrogen-bonded Turntrans-84.712.9-179.4-65.5-18.8000114I60 N97I60-N101 WeakPolarHBondContact O-CB 3.36Å; I60-N101 PolarHBondContact O-ND2 2.99Å; N97-N101 WeakPolarHBondContact O-CB 3.48Å; N97-N101 PolarHBondContact O-N 2.76Å; N97-N101 PolarHBondContact O-ND2 3.34Å
102K97.2Very high98.1Very high69 Ų6947.9 Ų47.930%0.327%0.267SS..  trans-58.7142.8-178.766.2-177.8174.7-64.30111.8V58 I99 M100 S104 A105 V107V58-K102 CarbonylContact O-C 3.6Å; V58-K102 WeakPolarHBondContact O-CA 3.4Å; V58-K102 WeakPolarHBondContact O-CB 3.3Å; I99-K102 WeakPolarHBondContact O-CG 3.37Å; I99-K102 PolarHBondContact O-NZ 2.83Å; M100-K102 PolarHBondContact O-N 3.26Å; K102-S104 WeakPolarHBondContact CD-O 3.37Å; K102-S104 WeakPolarHBondContact CG-O 3.42Å; K102-A105 WeakPolarHBondContact CE-O 3.34Å; K102-V107 HydrophobicContact CB-CG1 3.9Å; K102-V107 HydrophobicContact CD-CG1 3.86Å
103N95.6Very high98.1Very high130 Ų13047.6 Ų47.670%0.69526%0.262SS*.SBendtrans-99.814.2173.566.15.2000112.4V58V58-N103 VanDerWaalsContact CA-OD1 3.24Å; V58-N103 WeakPolarHBondContact CA-OD1 3.37Å; V58-N103 PolarHBondContact O-N 3.21Å; V58-N103 PolarHBondContact O-OD1 2.96Å; V58-N103 VanDerWaalsContact O-OD1 3.08Å
104S94.6Very high98.1Very high38 Ų3844.1 Ų44.127%0.26625%0.246SC..SBendtrans-118.8162.4177.859.40000111.1K102 D106K102-S104 WeakPolarHBondContact CD-O 3.37Å; K102-S104 WeakPolarHBondContact CG-O 3.42Å; S104-D106 VanDerWaalsContact C-N 3.28Å; S104-D106 WeakPolarHBondContact CB-O 3.21Å; S104-D106 PolarHBondContact O-N 2.81Å; S104-D106 PolarHBondContact OG-O 3.39Å
105A95.9Very high98.1Very high104 Ų10444.5 Ų44.586%0.8625%0.25SC*.SBendtrans-59.5-41177.400000112K102K102-A105 WeakPolarHBondContact CE-O 3.34Å
106D97.6Very high98.1Very high72 Ų7245.6 Ų45.639%0.38526%0.256SS..  trans-147.9176.4171.868.360.3000111.3S104 K108S104-D106 VanDerWaalsContact C-N 3.28Å; S104-D106 WeakPolarHBondContact CB-O 3.21Å; S104-D106 PolarHBondContact O-N 2.81Å; S104-D106 PolarHBondContact OG-O 3.39Å; D106-K108 HydrophobicContact CB-CG 4.22Å; D106-K108 VanDerWaalsContact OD1-CB 3.27Å; D106-K108 WeakPolarHBondContact OD1-CB 3.35Å; D106-K108 WeakPolarHBondContact OD1-CG 3.46Å; D106-K108 PolarHBondContact OD1-N 3.33Å
107V98.6Very high98.1Very high3 Ų343.4 Ų43.42%0.01824%0.244CC..  trans-11925.5176.5-67.70000111.1I50 V58 K102 G109 C110 A129 L131I50-V107 HydrophobicContact CD1-CG1 4.22Å; I50-V107 HydrophobicContact CG2-CB 4.09Å; I50-V107 HydrophobicContact CG2-CG1 3.95Å; V58-V107 HydrophobicContact CG2-CG1 4.12Å; K102-V107 HydrophobicContact CB-CG1 3.9Å; K102-V107 HydrophobicContact CD-CG1 3.86Å; V107-G109 PolarHBondContact O-N 2.84Å; V107-C110 HydrophobicContact CB-CB 4.33Å; V107-C110 VanDerWaalsContact O-CB 3.23Å; V107-C110 WeakPolarHBondContact O-CB 3.46Å; V107-C110 PolarHBondContact O-N 3.06Å; V107-C110 PolarHBondContact O-SG 3.15Å; V107-A129 HydrophobicContact CG2-CB 3.85Å; V107-L131 HydrophobicContact CG2-CD1 3.75Å; V107-L131 HydrophobicContact CG2-CG 4.36Å
108K98.6Very high98.1Very high134 Ų13442.7 Ų42.758%0.58324%0.24SC*.THydrogen-bonded Turntrans-65.2137.5-178.8-67.4175-179.2169.50109.8D106 C110 G130D106-K108 HydrophobicContact CB-CG 4.22Å; D106-K108 VanDerWaalsContact OD1-CB 3.27Å; D106-K108 WeakPolarHBondContact OD1-CB 3.35Å; D106-K108 WeakPolarHBondContact OD1-CG 3.46Å; D106-K108 PolarHBondContact OD1-N 3.33Å; K108-C110 PolarHBondContact O-N 3.36Å; K108-G130 CarbonylContact C-O 3.52Å; K108-G130 WeakPolarHBondContact CA-O 3.19Å
109G98.5Very high98.1Very high24 Ų2443.5 Ų43.525%0.24725%0.246CC..THydrogen-bonded Turntrans74.8-4.7-178.200000115Q53 V107 G130Q53-G109 PolarHBondContact NE2-O 3.35Å; V107-G109 PolarHBondContact O-N 2.84Å; G109-G130 PolarHBondContact N-O 3.45Å
110C98.8Very high98.1Very high5 Ų544.3 Ų44.33%0.03425%0.25CS..  trans-76.4164.9-176.7-64.50000112.5I50 V51 V107 K108 K132I50-C110 HydrophobicContact CG2-CB 3.58Å; V51-C110 WeakPolarHBondContact O-CA 3.41Å; V51-C110 VanDerWaalsContact O-CB 3.29Å; V51-C110 WeakPolarHBondContact O-CB 3.27Å; V107-C110 HydrophobicContact CB-CB 4.33Å; V107-C110 VanDerWaalsContact O-CB 3.23Å; V107-C110 WeakPolarHBondContact O-CB 3.46Å; V107-C110 PolarHBondContact O-N 3.06Å; V107-C110 PolarHBondContact O-SG 3.15Å; K108-C110 PolarHBondContact O-N 3.36Å; C110-K132 PolarHBondContact O-N 3.46Å
111T98.9Very high98.1Very high28 Ų2843 Ų4317%0.17224%0.242CC..EExtended strand (participates in β ladder)trans-107.1132.5173.4-61.20000109.9I50 V51 Y113 E133 V135I50-T111 WeakPolarHBondContact CA-O 3.48Å; V51-T111 PolarHBondContact N-O 3.37Å; V51-T111 PolarHBondContact O-N 3.4Å; T111-Y113 HydrophobicContact CG2-CD2 4.14Å; T111-Y113 HydrophobicContact CG2-CE2 3.72Å; T111-E133 CarbonylContact C-O 3.58Å; T111-E133 WeakPolarHBondContact CA-O 3.23Å; T111-E133 HydrophobicContact CG2-CB 3.9Å; T111-E133 HydrophobicContact CG2-CG 4.08Å; T111-E133 PolarHBondContact OG1-OE2 2.87Å; T111-V135 HydrophobicContact CG2-CG2 3.65Å
112M98.9Very high98.1Very high0 Ų039.1 Ų39.10%022%0.222CC..EExtended strand (participates in β ladder)trans-99.4123.8171.5177.7177.3-70.900110.5A48 C49 I50 E95 A98 I99 V114 I126 L131 E133 V134 V135A48-M112 HydrophobicContact CB-CG 4.44Å; A48-M112 HydrophobicContact CB-SD 4.41Å; C49-M112 CarbonylContact O-C 3.59Å; C49-M112 WeakPolarHBondContact O-CA 3.35Å; I50-M112 HydrophobicContact CD1-CE 3.81Å; I50-M112 HydrophobicContact CG1-CB 4.44Å; I50-M112 HydrophobicContact CG1-CE 3.85Å; I50-M112 HydrophobicContact CG1-CG 4.46Å; E95-M112 HydrophobicContact CB-CE 4.05Å; E95-M112 HydrophobicContact CB-SD 3.79Å; E95-M112 HydrophobicContact CG-SD 3.75Å; A98-M112 HydrophobicContact CB-CE 4.48Å; I99-M112 HydrophobicContact CD1-CE 4.13Å; I99-M112 HydrophobicContact CG1-CE 3.96Å; M112-V114 HydrophobicContact CG-CB 4.37Å; M112-I126 HydrophobicContact CE-CG1 4.1Å; M112-I126 HydrophobicContact SD-CD1 3.93Å; M112-I126 HydrophobicContact SD-CG1 4.16Å; M112-L131 HydrophobicContact CB-CD2 3.58Å; M112-L131 HydrophobicContact CE-CD2 4.21Å; M112-E133 PolarHBondContact N-O 2.95Å; M112-V134 CarbonylContact O-C 3.56Å; M112-V134 WeakPolarHBondContact O-CA 3.41Å; M112-V135 PolarHBondContact O-N 3.2Å
113Y98.9Very high98.2Very high17 Ų1735.8 Ų35.87%0.06721%0.208CC..EExtended strand (participates in β ladder)trans-93.4126.3165.7-69.3-103.1000108.5P25 F28 M29 A48 C49 V51 T111 V135P25-Y113 HydrophobicContact CB-CE1 4.44Å; F28-Y113 HydrophobicContact CB-CD1 3.87Å; F28-Y113 HydrophobicContact CB-CD2 3.68Å; F28-Y113 HydrophobicContact CB-CE1 4.03Å; F28-Y113 HydrophobicContact CB-CE2 3.85Å; F28-Y113 HydrophobicContact CB-CG 3.71Å; F28-Y113 HydrophobicContact CD2-CD2 4.49Å; F28-Y113 AromaticContact CD2-CE2 3.84Å; F28-Y113 HydrophobicContact CD2-CE2 3.84Å; F28-Y113 AromaticContact CD2-CZ 3.88Å; F28-Y113 HydrophobicContact CG-CD2 4.36Å; F28-Y113 HydrophobicContact CG-CE2 4.16Å; M29-Y113 HydrophobicContact CB-CD1 4.37Å; M29-Y113 HydrophobicContact CE-CD1 4.15Å; A48-Y113 CarbonylContact C-O 3.56Å; A48-Y113 VanDerWaalsContact CA-O 3.23Å; A48-Y113 WeakPolarHBondContact CA-O 3.17Å; C49-Y113 PolarHBondContact N-O 2.91Å; C49-Y113 PolarHBondContact O-N 2.8Å; V51-Y113 HydrophobicContact CB-CE2 4.4Å; V51-Y113 HydrophobicContact CG2-CD2 3.92Å; V51-Y113 HydrophobicContact CG2-CE2 4.06Å; T111-Y113 HydrophobicContact CG2-CD2 4.14Å; T111-Y113 HydrophobicContact CG2-CE2 3.72Å; Y113-V135 CarbonylContact C-O 3.58Å; Y113-V135 VanDerWaalsContact CA-O 3.3Å; Y113-V135 WeakPolarHBondContact CA-O 3.47Å; Y113-V135 HydrophobicContact CD1-CB 3.85Å; Y113-V135 HydrophobicContact CD1-CG1 3.74Å; Y113-V135 HydrophobicContact CE1-CB 3.98Å; Y113-V135 HydrophobicContact CE1-CG1 3.73Å; Y113-V135 HydrophobicContact CE1-CG2 4.21Å; Y113-V135 HydrophobicContact CG-CB 4.25Å
114V98.9Very high98.4Very high0 Ų033.9 Ų33.90%019%0.193CC..EExtended strand (participates in β ladder)trans-140.6142.9-17663.80000111.3V46 A48 E95 M112 L116 V134 V135 Y136 L137V46-V114 HydrophobicContact CG1-CG2 4.2Å; A48-V114 HydrophobicContact CB-CB 4.33Å; A48-V114 HydrophobicContact CB-CG2 4.12Å; E95-V114 HydrophobicContact CG-CG2 3.99Å; M112-V114 HydrophobicContact CG-CB 4.37Å; V114-L116 VanDerWaalsContact C-N 3.32Å; V114-L116 WeakPolarHBondContact CG1-O 3.31Å; V114-L116 VanDerWaalsContact CG2-O 3.31Å; V114-L116 WeakPolarHBondContact CG2-O 3.49Å; V114-L116 PolarHBondContact O-N 3.17Å; V114-V134 HydrophobicContact CG1-CG1 3.91Å; V114-V135 PolarHBondContact N-O 3.37Å; V114-Y136 VanDerWaalsContact O-CA 3.25Å; V114-Y136 WeakPolarHBondContact O-CA 3.25Å; V114-L137 PolarHBondContact O-N 2.75Å; V114-L137 VanDerWaalsContact O-N 3.15Å
115A98.6Very high98.6Very high9 Ų935.3 Ų35.37%0.07420%0.198CC..EExtended strand (participates in β ladder)trans-67-31.5-17800000113.3F33 V46 G47 S138F33-A115 HydrophobicContact CD2-CB 4.35Å; F33-A115 HydrophobicContact CE1-CB 4.11Å; F33-A115 HydrophobicContact CE2-CB 3.73Å; F33-A115 HydrophobicContact CZ-CB 3.57Å; V46-A115 HydrophobicContact CG1-CB 4.33Å; G47-A115 PolarHBondContact O-N 3.01Å; G47-A115 VanDerWaalsContact O-N 3.09Å; A115-S138 PolarHBondContact O-N 2.98Å
116L98.7Very high98.7Very high32 Ų3230.4 Ų30.417%0.16816%0.157CC..EExtended strand (participates in β ladder)trans-131.6143.8-176.4-176.464.6000110.4V46 V114 S138 K140 Y141V46-L116 HydrophobicContact CG1-CB 4.23Å; V46-L116 HydrophobicContact CG2-CB 4.35Å; V46-L116 HydrophobicContact CG2-CD2 4.36Å; V114-L116 VanDerWaalsContact C-N 3.32Å; V114-L116 WeakPolarHBondContact CG1-O 3.31Å; V114-L116 VanDerWaalsContact CG2-O 3.31Å; V114-L116 WeakPolarHBondContact CG2-O 3.49Å; V114-L116 PolarHBondContact O-N 3.17Å; L116-S138 CarbonylContact C-O 3.53Å; L116-S138 WeakPolarHBondContact CA-O 3.49Å; L116-K140 HydrophobicContact CD1-CD 4.44Å; L116-K140 HydrophobicContact CD1-CG 3.9Å; L116-Y141 HydrophobicContact CD1-CD2 4.27Å; L116-Y141 HydrophobicContact CD2-CD2 4.07Å; L116-Y141 HydrophobicContact CD2-CE2 3.96Å
117F98.8Very high98.8Very high4 Ų428.9 Ų28.92%0.01815%0.148CC..PPolyproline II helixtrans-55.1132.4176.8-166.4-88.9000111.2Y136 S138 D139 M147 S150 R151 L154 C161F117-Y136 HydrophobicContact CB-CD2 4.3Å; F117-Y136 HydrophobicContact CB-CG 4.41Å; F117-Y136 AromaticContact CD2-CD1 3.5Å; F117-Y136 HydrophobicContact CD2-CD1 3.5Å; F117-Y136 VanDerWaalsContact CD2-CD1 3.5Å; F117-Y136 AromaticContact CD2-CD2 3.96Å; F117-Y136 HydrophobicContact CD2-CD2 3.96Å; F117-Y136 AromaticContact CD2-CE1 3.52Å; F117-Y136 HydrophobicContact CD2-CE1 3.52Å; F117-Y136 HydrophobicContact CD2-CE2 4.02Å; F117-Y136 AromaticContact CD2-CG 3.71Å; F117-Y136 HydrophobicContact CD2-CG 3.71Å; F117-Y136 AromaticContact CD2-CZ 3.77Å; F117-Y136 AromaticContact CE2-CD1 3.89Å; F117-Y136 HydrophobicContact CE2-CD1 3.89Å; F117-Y136 AromaticContact CE2-CE1 3.66Å; F117-Y136 HydrophobicContact CE2-CE1 3.66Å; F117-S138 PolarHBondContact N-O 3.4Å; F117-D139 HydrophobicContact CB-CB 4.24Å; F117-M147 HydrophobicContact CD1-SD 3.86Å; F117-S150 WeakPolarHBondContact CE1-OG 3.24Å; F117-R151 HydrophobicContact CE1-CG 3.71Å; F117-R151 HydrophobicContact CE2-CG 4.34Å; F117-R151 HydrophobicContact CZ-CG 3.45Å; F117-R151 VanDerWaalsContact CZ-CG 3.45Å; F117-L154 HydrophobicContact CE1-CD1 4.41Å; F117-L154 HydrophobicContact CZ-CD1 3.97Å; F117-C161 HydrophobicContact CE2-CB 4.23Å
118P98.7Very high98.8Very high0 Ų036.7 Ų36.70%018%0.184CC..PPolyproline II helixtrans-69.4142.4-171.627.7-35.7000112.4E95 C122 I126 V134 S150 L154E95-P118 HydrophobicContact CG-CB 4.25Å; E95-P118 VanDerWaalsContact OE1-CA 3.24Å; E95-P118 WeakPolarHBondContact OE1-CA 3.35Å; E95-P118 WeakPolarHBondContact OE1-CB 3.3Å; P118-C122 HydrophobicContact CB-CB 3.92Å; P118-I126 HydrophobicContact CB-CD1 3.88Å; P118-I126 HydrophobicContact CG-CD1 3.97Å; P118-V134 HydrophobicContact CG-CG1 4.17Å; P118-S150 VanDerWaalsContact O-CB 3.28Å; P118-S150 WeakPolarHBondContact O-CB 3.2Å; P118-S150 PolarHBondContact O-OG 2.98Å; P118-L154 HydrophobicContact CG-CD1 4.15Å
119C98.6Very high98.8Very high18 Ų1831.3 Ų31.312%0.12217%0.165CC..PPolyproline II helixtrans-68.8168.9171.472.90000111.7E121 C122 A123 M147C119-E121 VanDerWaalsContact C-N 3.28Å; C119-E121 PolarHBondContact O-N 3.2Å; C119-C122 PolarHBondContact O-N 3.48Å; C119-C122 VanDerWaalsContact O-N 3.13Å; C119-C122 VanDerWaalsContact SG-SG 3.67Å; C119-A123 PolarHBondContact O-N 3.04Å; C119-M147 HydrophobicContact CB-CE 3.97Å
120N98.8Very high98.8Very high32 Ų3231 Ų3117%0.17116%0.163CC..Hα-helixtrans-59.1-35-179.568.7-58.7000113.4A123 K124 E146 A149 L153N120-A123 WeakPolarHBondContact O-CB 3.49Å; N120-A123 PolarHBondContact O-N 3.01Å; N120-K124 WeakPolarHBondContact O-CG 3.5Å; N120-K124 PolarHBondContact O-N 3.19Å; N120-K124 VanDerWaalsContact O-N 3.13Å; N120-E146 WeakPolarHBondContact CB-O 3.48Å; N120-E146 PolarHBondContact N-O 3.07Å; N120-A149 HydrophobicContact CB-CB 3.94Å; N120-L153 HydrophobicContact CB-CD1 4.49Å
121E98.7Very high98.8Very high98 Ų9830.9 Ų30.946%0.45816%0.161SC..Hα-helixtrans-69-40.8176.6-61.4-52138.500111.5C119 A123 K124 L125C119-E121 VanDerWaalsContact C-N 3.28Å; C119-E121 PolarHBondContact O-N 3.2Å; E121-A123 VanDerWaalsContact C-N 3.34Å; E121-K124 PolarHBondContact O-N 2.85Å; E121-K124 IonicContact OE1-NZ 2.78Å; E121-K124 PolarHBondContact OE1-NZ 2.86Å; E121-K124 WeakPolarHBondContact OE2-CD 3.46Å; E121-K124 IonicContact OE2-NZ 2.7Å; E121-K124 PolarHBondContact OE2-NZ 3.06Å; E121-L125 PolarHBondContact O-N 2.83Å
122C98.8Very high98.8Very high4 Ų435.2 Ų35.23%0.02718%0.178CC..Hα-helixtrans-67.2-36.3174-68.80000111.7H93 E95 P118 C119 K124 L125 I126H93-C122 WeakPolarHBondContact CB-SG 3.42Å; H93-C122 PolarHBondContact ND1-SG 3.48Å; E95-C122 HydrophobicContact CB-CB 3.92Å; E95-C122 HydrophobicContact CG-CB 4.14Å; E95-C122 WeakPolarHBondContact OE1-CB 3.42Å; P118-C122 HydrophobicContact CB-CB 3.92Å; C119-C122 PolarHBondContact O-N 3.48Å; C119-C122 VanDerWaalsContact O-N 3.13Å; C119-C122 VanDerWaalsContact SG-SG 3.67Å; C122-K124 VanDerWaalsContact C-N 3.35Å; C122-K124 PolarHBondContact O-N 3.38Å; C122-L125 WeakPolarHBondContact O-CB 3.46Å; C122-L125 PolarHBondContact O-N 2.63Å; C122-L125 VanDerWaalsContact O-N 3.16Å; C122-I126 WeakPolarHBondContact O-CB 3.45Å; C122-I126 WeakPolarHBondContact O-CD1 3.31Å; C122-I126 VanDerWaalsContact O-CG1 3.22Å; C122-I126 WeakPolarHBondContact O-CG1 3.45Å; C122-I126 PolarHBondContact O-N 3.38Å
123A98.9Very high98.8Very high0 Ų036.6 Ų36.60%018%0.184CC..Hα-helixtrans-58.1-44.9173.500000112.1C119 N120 E121 L125 I126 I127 S150 L154C119-A123 PolarHBondContact O-N 3.04Å; N120-A123 WeakPolarHBondContact O-CB 3.49Å; N120-A123 PolarHBondContact O-N 3.01Å; E121-A123 VanDerWaalsContact C-N 3.34Å; A123-L125 VanDerWaalsContact C-N 3.3Å; A123-L125 PolarHBondContact O-N 2.83Å; A123-I126 PolarHBondContact O-N 3.41Å; A123-I127 WeakPolarHBondContact O-CB 3.49Å; A123-I127 WeakPolarHBondContact O-CD1 3.49Å; A123-I127 WeakPolarHBondContact O-CG1 3.22Å; A123-I127 PolarHBondContact O-N 3.26Å; A123-S150 WeakPolarHBondContact CB-OG 3.32Å; A123-L154 HydrophobicContact CB-CD1 4.1Å; A123-L154 HydrophobicContact CB-CD2 4.1Å; A123-L154 HydrophobicContact CB-CG 3.86Å
124K98.9Very high98.8Very high89 Ų8935.8 Ų35.839%0.38718%0.181SC..Hα-helixtrans-56.4-45.3174.6-65.4169.5-164.4170.20111.3N120 E121 C122 I127 Q128 L153N120-K124 WeakPolarHBondContact O-CG 3.5Å; N120-K124 PolarHBondContact O-N 3.19Å; N120-K124 VanDerWaalsContact O-N 3.13Å; E121-K124 PolarHBondContact O-N 2.85Å; E121-K124 IonicContact OE1-NZ 2.78Å; E121-K124 PolarHBondContact OE1-NZ 2.86Å; E121-K124 WeakPolarHBondContact OE2-CD 3.46Å; E121-K124 IonicContact OE2-NZ 2.7Å; E121-K124 PolarHBondContact OE2-NZ 3.06Å; C122-K124 VanDerWaalsContact C-N 3.35Å; C122-K124 PolarHBondContact O-N 3.38Å; K124-I127 PolarHBondContact O-N 2.86Å; K124-Q128 WeakPolarHBondContact O-CB 3.48Å; K124-Q128 VanDerWaalsContact O-CG 3.24Å; K124-Q128 WeakPolarHBondContact O-CG 3.15Å; K124-Q128 PolarHBondContact O-N 3.11Å; K124-L153 HydrophobicContact CG-CD1 4.06Å
125L98.9Very high98.8Very high69 Ų6935.8 Ų35.836%0.36118%0.181SC..Hα-helixtrans-64.5-44.9178.5-64.5173.2000112L96 I99 E121 C122 A123 I127 Q128 A129L96-L125 HydrophobicContact CB-CD1 3.77Å; L96-L125 HydrophobicContact CD1-CD1 3.86Å; L96-L125 HydrophobicContact CG-CD1 3.78Å; I99-L125 HydrophobicContact CD1-CB 4Å; E121-L125 PolarHBondContact O-N 2.83Å; C122-L125 WeakPolarHBondContact O-CB 3.46Å; C122-L125 PolarHBondContact O-N 2.63Å; C122-L125 VanDerWaalsContact O-N 3.16Å; A123-L125 VanDerWaalsContact C-N 3.3Å; A123-L125 PolarHBondContact O-N 2.83Å; L125-I127 VanDerWaalsContact C-N 3.31Å; L125-I127 PolarHBondContact O-N 3.47Å; L125-Q128 PolarHBondContact O-N 3.46Å; L125-A129 WeakPolarHBondContact O-CB 3.43Å; L125-A129 PolarHBondContact O-N 2.9Å
126I98.9Very high98.8Very high0 Ų036.8 Ų36.80%018%0.183CC..Hα-helixtrans-57.5-46.2177.8-71.8164.4000110.6I99 M112 P118 C122 A123 G130 L131 V134 L154 V159I99-I126 HydrophobicContact CD1-CG1 4.24Å; M112-I126 HydrophobicContact CE-CG1 4.1Å; M112-I126 HydrophobicContact SD-CD1 3.93Å; M112-I126 HydrophobicContact SD-CG1 4.16Å; P118-I126 HydrophobicContact CB-CD1 3.88Å; P118-I126 HydrophobicContact CG-CD1 3.97Å; C122-I126 WeakPolarHBondContact O-CB 3.45Å; C122-I126 WeakPolarHBondContact O-CD1 3.31Å; C122-I126 VanDerWaalsContact O-CG1 3.22Å; C122-I126 WeakPolarHBondContact O-CG1 3.45Å; C122-I126 PolarHBondContact O-N 3.38Å; A123-I126 PolarHBondContact O-N 3.41Å; I126-G130 PolarHBondContact O-N 2.93Å; I126-L131 HydrophobicContact CG2-CB 3.88Å; I126-L131 HydrophobicContact CG2-CD1 4.42Å; I126-L131 PolarHBondContact O-N 2.87Å; I126-V134 HydrophobicContact CD1-CG2 4.06Å; I126-V134 HydrophobicContact CG2-CG2 3.87Å; I126-L154 HydrophobicContact CG2-CD2 4.03Å; I126-V159 HydrophobicContact CG2-CG1 4.19Å
127I98.9Very high98.8Very high40 Ų4037.8 Ų37.821%0.20519%0.188CC..Hα-helixtrans-63.7-52.3178.7-67.4162.4000110.6A123 K124 L125 A129 G130 L153 L154 A157 V159A123-I127 WeakPolarHBondContact O-CB 3.49Å; A123-I127 WeakPolarHBondContact O-CD1 3.49Å; A123-I127 WeakPolarHBondContact O-CG1 3.22Å; A123-I127 PolarHBondContact O-N 3.26Å; K124-I127 PolarHBondContact O-N 2.86Å; L125-I127 VanDerWaalsContact C-N 3.31Å; L125-I127 PolarHBondContact O-N 3.47Å; I127-A129 VanDerWaalsContact C-N 3.29Å; I127-A129 PolarHBondContact O-N 3.42Å; I127-G130 WeakPolarHBondContact O-CA 3.28Å; I127-G130 PolarHBondContact O-N 3.16Å; I127-L153 HydrophobicContact CD1-CB 3.85Å; I127-L153 WeakPolarHBondContact CD1-O 3.32Å; I127-L154 HydrophobicContact CD1-CD2 4.31Å; I127-L154 HydrophobicContact CG1-CD2 4.08Å; I127-A157 HydrophobicContact CB-CB 4.33Å; I127-A157 HydrophobicContact CD1-CB 3.77Å; I127-A157 HydrophobicContact CG1-CB 3.68Å; I127-A157 HydrophobicContact CG2-CB 3.7Å; I127-V159 HydrophobicContact CG1-CG2 4.02Å
128Q98.8Very high98.8Very high167 Ų16739.4 Ų39.478%0.7820%0.2SC*.Hα-helixtrans-67.7-29.8-176.3-67.6-63.397.300112.8K124 L125 G130K124-Q128 WeakPolarHBondContact O-CB 3.48Å; K124-Q128 VanDerWaalsContact O-CG 3.24Å; K124-Q128 WeakPolarHBondContact O-CG 3.15Å; K124-Q128 PolarHBondContact O-N 3.11Å; L125-Q128 PolarHBondContact O-N 3.46Å; Q128-G130 PolarHBondContact O-N 3.36Å
129A98.7Very high98.7Very high21 Ų2140.7 Ų40.717%0.17421%0.207CC..THydrogen-bonded Turntrans-73.7-12.617300000113I99 V107 L125 I127 L131I99-A129 HydrophobicContact CD1-CB 4.11Å; I99-A129 HydrophobicContact CG1-CB 4.42Å; I99-A129 HydrophobicContact CG2-CB 3.89Å; V107-A129 HydrophobicContact CG2-CB 3.85Å; L125-A129 WeakPolarHBondContact O-CB 3.43Å; L125-A129 PolarHBondContact O-N 2.9Å; I127-A129 VanDerWaalsContact C-N 3.29Å; I127-A129 PolarHBondContact O-N 3.42Å; A129-L131 HydrophobicContact CB-CD1 3.72Å
130G98.7Very high98.7Very high19 Ų1946.5 Ų46.520%0.19623%0.23CC..THydrogen-bonded Turntrans83.620173.900000114.8K108 G109 I126 I127 Q128K108-G130 CarbonylContact C-O 3.52Å; K108-G130 WeakPolarHBondContact CA-O 3.19Å; G109-G130 PolarHBondContact N-O 3.45Å; I126-G130 PolarHBondContact O-N 2.93Å; I127-G130 WeakPolarHBondContact O-CA 3.28Å; I127-G130 PolarHBondContact O-N 3.16Å; Q128-G130 PolarHBondContact O-N 3.36Å
131L98.8Very high98.7Very high1 Ų148.2 Ų48.21%0.00524%0.235CC..  trans-63.7153.2172.2-74.399.8000110.9I50 I99 V107 M112 I126 A129I50-L131 HydrophobicContact CD1-CD2 4.48Å; I50-L131 HydrophobicContact CG1-CD2 4.42Å; I50-L131 HydrophobicContact CG2-CD2 4.09Å; I99-L131 HydrophobicContact CD1-CD1 4.19Å; I99-L131 HydrophobicContact CG1-CD1 4.24Å; V107-L131 HydrophobicContact CG2-CD1 3.75Å; V107-L131 HydrophobicContact CG2-CG 4.36Å; M112-L131 HydrophobicContact CB-CD2 3.58Å; M112-L131 HydrophobicContact CE-CD2 4.21Å; I126-L131 HydrophobicContact CG2-CB 3.88Å; I126-L131 HydrophobicContact CG2-CD1 4.42Å; I126-L131 PolarHBondContact O-N 2.87Å; A129-L131 HydrophobicContact CB-CD1 3.72Å
132K98.7Very high98.6Very high119 Ų11947.4 Ų47.452%0.51723%0.231SC..  trans-117.3-17.9-175.7-66.8-63.3179.6-172.20114.6C110 K160C110-K132 PolarHBondContact O-N 3.46Å; K132-K160 PolarHBondContact O-N 3.1Å
133E98.9Very high98.5Very high30 Ų3054.3 Ų54.314%0.1427%0.268CS..EExtended strand (participates in β ladder)trans-142.9141.2175.5-171.5177.7-145.700111.5T111 M112 V135 K160 R162T111-E133 CarbonylContact C-O 3.58Å; T111-E133 WeakPolarHBondContact CA-O 3.23Å; T111-E133 HydrophobicContact CG2-CB 3.9Å; T111-E133 HydrophobicContact CG2-CG 4.08Å; T111-E133 PolarHBondContact OG1-OE2 2.87Å; M112-E133 PolarHBondContact N-O 2.95Å; E133-V135 HydrophobicContact CG-CG2 4.05Å; E133-K160 CarbonylContact C-O 3.59Å; E133-K160 WeakPolarHBondContact CA-O 3.43Å; E133-K160 HydrophobicContact CB-CB 4.34Å; E133-K160 HydrophobicContact CG-CB 4.13Å; E133-K160 HydrophobicContact CG-CD 4.25Å; E133-K160 HydrophobicContact CG-CG 4.27Å; E133-K160 WeakPolarHBondContact OE1-CD 3.46Å; E133-K160 WeakPolarHBondContact OE1-CE 3.45Å; E133-K160 IonicContact OE1-NZ 3.1Å; E133-K160 PolarHBondContact OE1-NZ 2.71Å; E133-R162 IonicContact OE1-NE 3.06Å; E133-R162 PolarHBondContact OE1-NE 2.89Å; E133-R162 IonicContact OE1-NH2 3.94Å
134V98.9Very high98.5Very high0 Ų058.4 Ų58.40%029%0.285CS..EExtended strand (participates in β ladder)trans-116.7120.8168.2-179.60000108.3M112 V114 P118 I126 V159 K160 C161 R162M112-V134 CarbonylContact O-C 3.56Å; M112-V134 WeakPolarHBondContact O-CA 3.41Å; V114-V134 HydrophobicContact CG1-CG1 3.91Å; P118-V134 HydrophobicContact CG-CG1 4.17Å; I126-V134 HydrophobicContact CD1-CG2 4.06Å; I126-V134 HydrophobicContact CG2-CG2 3.87Å; V134-V159 HydrophobicContact CG2-CG1 4.08Å; V134-K160 PolarHBondContact N-O 3.3Å; V134-C161 WeakPolarHBondContact O-CA 3.47Å; V134-R162 PolarHBondContact O-N 3.5Å
135V98.9Very high98.5Very high0 Ų059 Ų590%030%0.298CS..EExtended strand (participates in β ladder)trans-108.5112176-178.50000107.9M29 T111 M112 Y113 V114 E133 R162 F164M29-V135 HydrophobicContact CE-CG1 4.21Å; T111-V135 HydrophobicContact CG2-CG2 3.65Å; M112-V135 PolarHBondContact O-N 3.2Å; Y113-V135 CarbonylContact C-O 3.58Å; Y113-V135 VanDerWaalsContact CA-O 3.3Å; Y113-V135 WeakPolarHBondContact CA-O 3.47Å; Y113-V135 HydrophobicContact CD1-CB 3.85Å; Y113-V135 HydrophobicContact CD1-CG1 3.74Å; Y113-V135 HydrophobicContact CE1-CB 3.98Å; Y113-V135 HydrophobicContact CE1-CG1 3.73Å; Y113-V135 HydrophobicContact CE1-CG2 4.21Å; Y113-V135 HydrophobicContact CG-CB 4.25Å; V114-V135 PolarHBondContact N-O 3.37Å; E133-V135 HydrophobicContact CG-CG2 4.05Å; V135-R162 VanDerWaalsContact CA-O 3.3Å; V135-R162 WeakPolarHBondContact CA-O 3.28Å; V135-R162 VanDerWaalsContact CG2-NH2 3.29Å; V135-F164 HydrophobicContact CG1-CB 3.82Å; V135-F164 HydrophobicContact CG1-CD2 4.01Å; V135-F164 HydrophobicContact CG1-CG 4.27Å
136Y98.9Very high98.4Very high29 Ų2960.1 Ų60.111%0.11430%0.302CS..EExtended strand (participates in β ladder)trans-119.3143.3-173.262.7-88.4000112V114 F117 D139 C161 R162 Q163 F164V114-Y136 VanDerWaalsContact O-CA 3.25Å; V114-Y136 WeakPolarHBondContact O-CA 3.25Å; F117-Y136 HydrophobicContact CB-CD2 4.3Å; F117-Y136 HydrophobicContact CB-CG 4.41Å; F117-Y136 AromaticContact CD2-CD1 3.5Å; F117-Y136 HydrophobicContact CD2-CD1 3.5Å; F117-Y136 VanDerWaalsContact CD2-CD1 3.5Å; F117-Y136 AromaticContact CD2-CD2 3.96Å; F117-Y136 HydrophobicContact CD2-CD2 3.96Å; F117-Y136 AromaticContact CD2-CE1 3.52Å; F117-Y136 HydrophobicContact CD2-CE1 3.52Å; F117-Y136 HydrophobicContact CD2-CE2 4.02Å; F117-Y136 AromaticContact CD2-CG 3.71Å; F117-Y136 HydrophobicContact CD2-CG 3.71Å; F117-Y136 AromaticContact CD2-CZ 3.77Å; F117-Y136 AromaticContact CE2-CD1 3.89Å; F117-Y136 HydrophobicContact CE2-CD1 3.89Å; F117-Y136 AromaticContact CE2-CE1 3.66Å; F117-Y136 HydrophobicContact CE2-CE1 3.66Å; Y136-D139 HydrophobicContact CD2-CB 4.21Å; Y136-D139 HydrophobicContact CE2-CB 3.71Å; Y136-C161 HydrophobicContact CE1-CB 4.26Å; Y136-R162 WeakPolarHBondContact CD1-O 3.26Å; Y136-R162 VanDerWaalsContact CE1-C 3.48Å; Y136-R162 PolarHBondContact N-O 3.41Å; Y136-Q163 HydrophobicContact CD2-CB 4.36Å; Y136-Q163 HydrophobicContact CD2-CG 4.13Å; Y136-Q163 HydrophobicContact CE1-CB 4.43Å; Y136-Q163 HydrophobicContact CE2-CB 3.64Å; Y136-Q163 HydrophobicContact CE2-CG 3.64Å; Y136-Q163 CarbonylContact O-C 3.57Å; Y136-Q163 WeakPolarHBondContact O-CA 3.27Å; Y136-F164 PolarHBondContact O-N 2.97Å
137L98.5Very high98.4Very high53 Ų5360.9 Ų60.928%0.27731%0.305SS..EExtended strand (participates in β ladder)trans-80.4-55.9174.6-17379.3000111.7M29 F33 V114 Q163 F164 P166M29-L137 HydrophobicContact CE-CB 4.34Å; M29-L137 HydrophobicContact SD-CB 4.16Å; F33-L137 HydrophobicContact CE1-CD2 4.27Å; F33-L137 HydrophobicContact CE2-CB 4.06Å; F33-L137 HydrophobicContact CE2-CD2 3.62Å; F33-L137 HydrophobicContact CE2-CG 4.4Å; F33-L137 HydrophobicContact CZ-CB 4.22Å; F33-L137 HydrophobicContact CZ-CD2 3.28Å; F33-L137 HydrophobicContact CZ-CG 4.35Å; V114-L137 PolarHBondContact O-N 2.75Å; V114-L137 VanDerWaalsContact O-N 3.15Å; L137-Q163 PolarHBondContact O-NE2 3.25Å; L137-F164 HydrophobicContact CD1-CB 4.46Å; L137-F164 HydrophobicContact CD1-CD1 3.82Å; L137-P166 HydrophobicContact CD1-CG 4.31Å
138S98.4Very high98.4Very high38 Ų3865.4 Ų65.427%0.26632%0.324SS..EExtended strand (participates in β ladder)trans-107.4137.5-173.7-172.50000112.2A115 L116 F117 K140A115-S138 PolarHBondContact O-N 2.98Å; L116-S138 CarbonylContact C-O 3.53Å; L116-S138 WeakPolarHBondContact CA-O 3.49Å; F117-S138 PolarHBondContact N-O 3.4Å; S138-K140 PolarHBondContact OG-N 3.02Å
139D98.3Very high98.4Very high27 Ų2759.1 Ų59.114%0.14430%0.301CS..  trans-123.142.6166.3-168.114.2000110.5F117 Y136 Y141 H142 R151F117-D139 HydrophobicContact CB-CB 4.24Å; Y136-D139 HydrophobicContact CD2-CB 4.21Å; Y136-D139 HydrophobicContact CE2-CB 3.71Å; D139-Y141 PolarHBondContact O-N 2.9Å; D139-H142 WeakPolarHBondContact O-CB 3.4Å; D139-H142 PolarHBondContact O-N 3.06Å; D139-H142 WeakPolarHBondContact OD1-CA 3.49Å; D139-H142 IonicContact OD2-CE1 3.59Å; D139-H142 IonicContact OD2-CG 3.9Å; D139-H142 IonicContact OD2-ND1 2.66Å; D139-H142 PolarHBondContact OD2-ND1 3.43Å; D139-R151 IonicContact OD1-NH1 2.71Å; D139-R151 IonicContact OD2-NH1 3.77Å
140K97.9Very high98.4Very high140 Ų14058.1 Ų58.161%0.60929%0.292SS*.THydrogen-bonded Turntrans-63.4-11.3-175.567.4-179.4178.5-177.30114.9L116 S138L116-K140 HydrophobicContact CD1-CD 4.44Å; L116-K140 HydrophobicContact CD1-CG 3.9Å; S138-K140 PolarHBondContact OG-N 3.02Å
141Y97.4Very high98.4Very high69 Ų6960 Ų6027%0.27129%0.294SS..THydrogen-bonded Turntrans-111.222.6178-60.6-50.3000112L116 D139 D143 K144 M147L116-Y141 HydrophobicContact CD1-CD2 4.27Å; L116-Y141 HydrophobicContact CD2-CD2 4.07Å; L116-Y141 HydrophobicContact CD2-CE2 3.96Å; D139-Y141 PolarHBondContact O-N 2.9Å; Y141-D143 VanDerWaalsContact C-N 3.25Å; Y141-D143 PolarHBondContact O-N 3.22Å; Y141-D143 VanDerWaalsContact O-N 3.1Å; Y141-K144 HydrophobicContact CD1-CD 4.23Å; Y141-K144 HydrophobicContact CG-CD 4.24Å; Y141-K144 WeakPolarHBondContact O-CB 3.49Å; Y141-K144 PolarHBondContact O-N 3.28Å; Y141-M147 WeakPolarHBondContact O-CG 3.24Å
142H97.7Very high98.4Very high80 Ų8062.7 Ų62.737%0.3731%0.31SS..THydrogen-bonded Turntrans-42.2-50.7-174.4-174.283.8000113.1D139 K144 R151D139-H142 WeakPolarHBondContact O-CB 3.4Å; D139-H142 PolarHBondContact O-N 3.06Å; D139-H142 WeakPolarHBondContact OD1-CA 3.49Å; D139-H142 IonicContact OD2-CE1 3.59Å; D139-H142 IonicContact OD2-CG 3.9Å; D139-H142 IonicContact OD2-ND1 2.66Å; D139-H142 PolarHBondContact OD2-ND1 3.43Å; H142-K144 PolarHBondContact O-N 2.9Å; H142-R151 PolarHBondContact ND1-NH1 2.72Å; H142-R151 PolarHBondContact O-NH1 3.47Å; H142-R151 PolarHBondContact O-NH2 3.29Å
143D97.5Very high98.4Very high150 Ų15059.9 Ų59.980%0.80230%0.3SS*.THydrogen-bonded Turntrans-78.5-0.1-172-56.4-52.7000114.7Y141Y141-D143 VanDerWaalsContact C-N 3.25Å; Y141-D143 PolarHBondContact O-N 3.22Å; Y141-D143 VanDerWaalsContact O-N 3.1Å
144K97.9Very high98.4Very high86 Ų8658.5 Ų58.537%0.37429%0.294SS..SBendtrans-73.3144.6178.8-69.4-162.8179-179.10112Y141 H142 E146 M147 F148Y141-K144 HydrophobicContact CD1-CD 4.23Å; Y141-K144 HydrophobicContact CG-CD 4.24Å; Y141-K144 WeakPolarHBondContact O-CB 3.49Å; Y141-K144 PolarHBondContact O-N 3.28Å; H142-K144 PolarHBondContact O-N 2.9Å; K144-E146 WeakPolarHBondContact CB-OE2 3.39Å; K144-E146 PolarHBondContact O-N 3.05Å; K144-M147 HydrophobicContact CB-CG 4.31Å; K144-M147 PolarHBondContact O-N 2.71Å; K144-F148 PolarHBondContact O-N 3.21Å
145P98.5Very high98.4Very high102 Ų10264.8 Ų64.866%0.66233%0.327SS*.Hα-helixtrans-53.7-38.2178.1-27.235.2000113.9M147 F148 A149P145-M147 VanDerWaalsContact C-N 3.29Å; P145-M147 PolarHBondContact O-N 3.15Å; P145-F148 PolarHBondContact O-N 2.65Å; P145-A149 WeakPolarHBondContact O-CB 3.3Å; P145-A149 PolarHBondContact O-N 2.85Å
146E98Very high98.4Very high91 Ų9172 Ų7243%0.42536%0.363SS..Hα-helixtrans-64.3-35.2178.3-56.489158.100111.8N120 K144 S150N120-E146 WeakPolarHBondContact CB-O 3.48Å; N120-E146 PolarHBondContact N-O 3.07Å; K144-E146 WeakPolarHBondContact CB-OE2 3.39Å; K144-E146 PolarHBondContact O-N 3.05Å; E146-S150 VanDerWaalsContact O-CB 3.27Å; E146-S150 WeakPolarHBondContact O-CB 3.48Å; E146-S150 PolarHBondContact O-N 3Å
147M98.4Very high98.4Very high16 Ų1672.5 Ų72.58%0.07937%0.373CS..Hα-helixtrans-80-33.9178.9-59.5-54.1157.800111.7F117 C119 Y141 K144 P145 S150 R151F117-M147 HydrophobicContact CD1-SD 3.86Å; C119-M147 HydrophobicContact CB-CE 3.97Å; Y141-M147 WeakPolarHBondContact O-CG 3.24Å; K144-M147 HydrophobicContact CB-CG 4.31Å; K144-M147 PolarHBondContact O-N 2.71Å; P145-M147 VanDerWaalsContact C-N 3.29Å; P145-M147 PolarHBondContact O-N 3.15Å; M147-S150 WeakPolarHBondContact O-CB 3.4Å; M147-S150 PolarHBondContact O-N 2.91Å; M147-R151 PolarHBondContact O-N 3.4Å; M147-R151 PolarHBondContact O-NH1 2.9Å
148F98.4Very high98.4Very high136 Ų13672.7 Ų72.760%0.59639%0.387SS*.Hα-helixtrans-59.8-52.9169.4-177.2-92.1000111.1K144 P145 S150 R151 T152K144-F148 PolarHBondContact O-N 3.21Å; P145-F148 PolarHBondContact O-N 2.65Å; F148-S150 VanDerWaalsContact C-N 3.3Å; F148-S150 PolarHBondContact O-N 3.13Å; F148-R151 PolarHBondContact O-N 3.29Å; F148-T152 PolarHBondContact O-N 3.28Å; F148-T152 PolarHBondContact O-OG1 3.42Å; F148-T152 VanDerWaalsContact O-OG1 3.12Å
149A98.8Very high98.4Very high35 Ų3571.3 Ų71.329%0.28938%0.377SS..Hα-helixtrans-59.8-40.3177.200000112.2N120 P145 T152 L153N120-A149 HydrophobicContact CB-CB 3.94Å; P145-A149 WeakPolarHBondContact O-CB 3.3Å; P145-A149 PolarHBondContact O-N 2.85Å; A149-T152 PolarHBondContact O-N 3.35Å; A149-L153 WeakPolarHBondContact O-CB 3.41Å; A149-L153 VanDerWaalsContact O-CG 3.26Å; A149-L153 WeakPolarHBondContact O-CG 3.37Å; A149-L153 PolarHBondContact O-N 2.97Å
150S98.8Very high98.4Very high0 Ų075.7 Ų75.70%040%0.395CS..Hα-helixtrans-56.6-51.6174.5-177.30000112.1F117 P118 A123 E146 M147 F148 T152 L153 L154F117-S150 WeakPolarHBondContact CE1-OG 3.24Å; P118-S150 VanDerWaalsContact O-CB 3.28Å; P118-S150 WeakPolarHBondContact O-CB 3.2Å; P118-S150 PolarHBondContact O-OG 2.98Å; A123-S150 WeakPolarHBondContact CB-OG 3.32Å; E146-S150 VanDerWaalsContact O-CB 3.27Å; E146-S150 WeakPolarHBondContact O-CB 3.48Å; E146-S150 PolarHBondContact O-N 3Å; M147-S150 WeakPolarHBondContact O-CB 3.4Å; M147-S150 PolarHBondContact O-N 2.91Å; F148-S150 VanDerWaalsContact C-N 3.3Å; F148-S150 PolarHBondContact O-N 3.13Å; S150-T152 PolarHBondContact O-N 3.13Å; S150-L153 PolarHBondContact O-N 2.96Å; S150-L154 WeakPolarHBondContact O-CB 3.42Å; S150-L154 VanDerWaalsContact O-CG 3.3Å; S150-L154 WeakPolarHBondContact O-CG 3.37Å; S150-L154 PolarHBondContact O-N 3.17Å
151R98.8Very high98.5Very high59 Ų5971.4 Ų71.422%0.22338%0.382CS..Hα-helixtrans-61.3-43.8177.7-75.3-174.2-64-86.1-1.5112.2F117 D139 H142 M147 F148 L153 L154 D155F117-R151 HydrophobicContact CE1-CG 3.71Å; F117-R151 HydrophobicContact CE2-CG 4.34Å; F117-R151 HydrophobicContact CZ-CG 3.45Å; F117-R151 VanDerWaalsContact CZ-CG 3.45Å; D139-R151 IonicContact OD1-NH1 2.71Å; D139-R151 IonicContact OD2-NH1 3.77Å; H142-R151 PolarHBondContact ND1-NH1 2.72Å; H142-R151 PolarHBondContact O-NH1 3.47Å; H142-R151 PolarHBondContact O-NH2 3.29Å; M147-R151 PolarHBondContact O-N 3.4Å; M147-R151 PolarHBondContact O-NH1 2.9Å; F148-R151 PolarHBondContact O-N 3.29Å; R151-L153 VanDerWaalsContact C-N 3.35Å; R151-L153 PolarHBondContact O-N 2.86Å; R151-L154 PolarHBondContact O-N 3.24Å; R151-D155 WeakPolarHBondContact O-CB 3.36Å; R151-D155 PolarHBondContact O-N 3.41Å
152T98.8Very high98.5Very high57 Ų5772 Ų7235%0.3538%0.384SS..Hα-helixtrans-57.7-47.4176.2-57.60000111.5F148 A149 S150 M156F148-T152 PolarHBondContact O-N 3.28Å; F148-T152 PolarHBondContact O-OG1 3.42Å; F148-T152 VanDerWaalsContact O-OG1 3.12Å; A149-T152 PolarHBondContact O-N 3.35Å; S150-T152 PolarHBondContact O-N 3.13Å; T152-M156 HydrophobicContact CG2-CG 4.45Å; T152-M156 HydrophobicContact CG2-SD 3.82Å; T152-M156 WeakPolarHBondContact O-CB 3.47Å; T152-M156 WeakPolarHBondContact O-CG 3.36Å; T152-M156 PolarHBondContact O-N 3.37Å
153L98.9Very high98.6Very high59 Ų5972.9 Ų72.931%0.30939%0.388SS..Hα-helixtrans-63.9-47179.5-70.3170.2000112.1N120 K124 I127 A149 S150 R151 M156 A157N120-L153 HydrophobicContact CB-CD1 4.49Å; K124-L153 HydrophobicContact CG-CD1 4.06Å; I127-L153 HydrophobicContact CD1-CB 3.85Å; I127-L153 WeakPolarHBondContact CD1-O 3.32Å; A149-L153 WeakPolarHBondContact O-CB 3.41Å; A149-L153 VanDerWaalsContact O-CG 3.26Å; A149-L153 WeakPolarHBondContact O-CG 3.37Å; A149-L153 PolarHBondContact O-N 2.97Å; S150-L153 PolarHBondContact O-N 2.96Å; R151-L153 VanDerWaalsContact C-N 3.35Å; R151-L153 PolarHBondContact O-N 2.86Å; L153-M156 PolarHBondContact O-N 2.97Å; L153-A157 WeakPolarHBondContact O-CB 3.45Å; L153-A157 PolarHBondContact O-N 3.04Å
154L98.8Very high98.6Very high1 Ų166.4 Ų66.41%0.00535%0.353CS..Hα-helixtrans-64.4-41.7-178.9-69.2165.3000111.4F117 P118 A123 I126 I127 S150 R151 A157 G158 V159F117-L154 HydrophobicContact CE1-CD1 4.41Å; F117-L154 HydrophobicContact CZ-CD1 3.97Å; P118-L154 HydrophobicContact CG-CD1 4.15Å; A123-L154 HydrophobicContact CB-CD1 4.1Å; A123-L154 HydrophobicContact CB-CD2 4.1Å; A123-L154 HydrophobicContact CB-CG 3.86Å; I126-L154 HydrophobicContact CG2-CD2 4.03Å; I127-L154 HydrophobicContact CD1-CD2 4.31Å; I127-L154 HydrophobicContact CG1-CD2 4.08Å; S150-L154 WeakPolarHBondContact O-CB 3.42Å; S150-L154 VanDerWaalsContact O-CG 3.3Å; S150-L154 WeakPolarHBondContact O-CG 3.37Å; S150-L154 PolarHBondContact O-N 3.17Å; R151-L154 PolarHBondContact O-N 3.24Å; L154-A157 PolarHBondContact O-N 2.99Å; L154-G158 PolarHBondContact O-N 3.18Å; L154-G158 VanDerWaalsContact O-N 3.17Å; L154-V159 HydrophobicContact CB-CB 4.29Å; L154-V159 HydrophobicContact CD2-CB 3.82Å; L154-V159 HydrophobicContact CD2-CG1 3.83Å; L154-V159 HydrophobicContact CD2-CG2 4.2Å; L154-V159 PolarHBondContact O-N 3.23Å
155D98.8Very high98.6Very high132 Ų13270.7 Ų70.771%0.70637%0.372SS*.Hα-helixtrans-64.3-49.4176.7-173.961.9000111.7R151 A157 G158R151-D155 WeakPolarHBondContact O-CB 3.36Å; R151-D155 PolarHBondContact O-N 3.41Å; D155-A157 PolarHBondContact O-N 2.95Å; D155-G158 PolarHBondContact O-N 2.98Å
156M98.7Very high98.3Very high152 Ų15268.8 Ų68.875%0.74936%0.359SS*.Hα-helixtrans-59.1-34.4176.8-73.5176.668.900113T152 L153 G158T152-M156 HydrophobicContact CG2-CG 4.45Å; T152-M156 HydrophobicContact CG2-SD 3.82Å; T152-M156 WeakPolarHBondContact O-CB 3.47Å; T152-M156 WeakPolarHBondContact O-CG 3.36Å; T152-M156 PolarHBondContact O-N 3.37Å; L153-M156 PolarHBondContact O-N 2.97Å; M156-G158 VanDerWaalsContact C-N 3.31Å
157A98.7Very high98.1Very high40 Ų4071.3 Ų71.333%0.33137%0.369SS..THydrogen-bonded Turntrans-83.5-4.1178.100000113.8I127 L153 L154 D155 V159I127-A157 HydrophobicContact CB-CB 4.33Å; I127-A157 HydrophobicContact CD1-CB 3.77Å; I127-A157 HydrophobicContact CG1-CB 3.68Å; I127-A157 HydrophobicContact CG2-CB 3.7Å; L153-A157 WeakPolarHBondContact O-CB 3.45Å; L153-A157 PolarHBondContact O-N 3.04Å; L154-A157 PolarHBondContact O-N 2.99Å; D155-A157 PolarHBondContact O-N 2.95Å; A157-V159 VanDerWaalsContact C-N 3.33Å; A157-V159 HydrophobicContact CB-CG2 4.19Å
158G98.7Very high97.7Very high56 Ų5673.8 Ų73.858%0.57739%0.387SS*.THydrogen-bonded Turntrans67.830-176.800000113.8L154 D155 M156L154-G158 PolarHBondContact O-N 3.18Å; L154-G158 VanDerWaalsContact O-N 3.17Å; D155-G158 PolarHBondContact O-N 2.98Å; M156-G158 VanDerWaalsContact C-N 3.31Å
159V98.8Very high97.4Very high9 Ų973.4 Ų73.46%0.05540%0.402CS..  trans-87.6113.4172.8-177.40000108.7I126 I127 V134 L154 A157 C161I126-V159 HydrophobicContact CG2-CG1 4.19Å; I127-V159 HydrophobicContact CG1-CG2 4.02Å; V134-V159 HydrophobicContact CG2-CG1 4.08Å; L154-V159 HydrophobicContact CB-CB 4.29Å; L154-V159 HydrophobicContact CD2-CB 3.82Å; L154-V159 HydrophobicContact CD2-CG1 3.83Å; L154-V159 HydrophobicContact CD2-CG2 4.2Å; L154-V159 PolarHBondContact O-N 3.23Å; A157-V159 VanDerWaalsContact C-N 3.33Å; A157-V159 HydrophobicContact CB-CG2 4.19Å; V159-C161 PolarHBondContact O-N 3.23Å
160K98.8Very high97.2Very high119 Ų11978.3 Ų78.352%0.51742%0.419SS..EExtended strand (participates in β ladder)trans-67.1130.4-178-177-177.2172.9-152.40110.5K132 E133 V134K132-K160 PolarHBondContact O-N 3.1Å; E133-K160 CarbonylContact C-O 3.59Å; E133-K160 WeakPolarHBondContact CA-O 3.43Å; E133-K160 HydrophobicContact CB-CB 4.34Å; E133-K160 HydrophobicContact CG-CB 4.13Å; E133-K160 HydrophobicContact CG-CD 4.25Å; E133-K160 HydrophobicContact CG-CG 4.27Å; E133-K160 WeakPolarHBondContact OE1-CD 3.46Å; E133-K160 WeakPolarHBondContact OE1-CE 3.45Å; E133-K160 IonicContact OE1-NZ 3.1Å; E133-K160 PolarHBondContact OE1-NZ 2.71Å; V134-K160 PolarHBondContact N-O 3.3Å
161C98.8Very high97Very high50 Ų5082.2 Ų82.234%0.33844%0.439SS..EExtended strand (participates in β ladder)trans-112.2129.4174.5-65.70000110F117 V134 Y136 V159F117-C161 HydrophobicContact CE2-CB 4.23Å; V134-C161 WeakPolarHBondContact O-CA 3.47Å; Y136-C161 HydrophobicContact CE1-CB 4.26Å; V159-C161 PolarHBondContact O-N 3.23Å
162R98.4Very high96.9Very high83 Ų8384.6 Ų84.631%0.31346%0.46SS..EExtended strand (participates in β ladder)trans-136.6127.3-180179.2171.158.184.2-3.7111.1E133 V134 V135 Y136 F164E133-R162 IonicContact OE1-NE 3.06Å; E133-R162 PolarHBondContact OE1-NE 2.89Å; E133-R162 IonicContact OE1-NH2 3.94Å; V134-R162 PolarHBondContact O-N 3.5Å; V135-R162 VanDerWaalsContact CA-O 3.3Å; V135-R162 WeakPolarHBondContact CA-O 3.28Å; V135-R162 VanDerWaalsContact CG2-NH2 3.29Å; Y136-R162 WeakPolarHBondContact CD1-O 3.26Å; Y136-R162 VanDerWaalsContact CE1-C 3.48Å; Y136-R162 PolarHBondContact N-O 3.41Å; R162-F164 PolarHBondContact O-N 3.13Å
163Q98.6Very high96.7Very high98 Ų9886.8 Ų86.846%0.45847%0.468SS..EExtended strand (participates in β ladder)trans-71.2130.4170.3-165.4171.817.100110.2Y136 L137Y136-Q163 HydrophobicContact CD2-CB 4.36Å; Y136-Q163 HydrophobicContact CD2-CG 4.13Å; Y136-Q163 HydrophobicContact CE1-CB 4.43Å; Y136-Q163 HydrophobicContact CE2-CB 3.64Å; Y136-Q163 HydrophobicContact CE2-CG 3.64Å; Y136-Q163 CarbonylContact O-C 3.57Å; Y136-Q163 WeakPolarHBondContact O-CA 3.27Å; L137-Q163 PolarHBondContact O-NE2 3.25Å
164F98.4Very high96.5Very high14 Ų1487.2 Ų87.26%0.06147%0.471CS..  trans-78.1133.7176-172.8-113.7000110.4P25 D26 M29 V135 Y136 L137 R162 P166P25-F164 HydrophobicContact CB-CE2 3.73Å; P25-F164 HydrophobicContact CB-CZ 4.45Å; D26-F164 HydrophobicContact CB-CZ 4.29Å; M29-F164 HydrophobicContact CB-CD1 3.92Å; M29-F164 HydrophobicContact CB-CE1 3.7Å; M29-F164 HydrophobicContact CB-CG 4.49Å; M29-F164 HydrophobicContact CB-CZ 4.15Å; M29-F164 HydrophobicContact CE-CB 3.73Å; M29-F164 HydrophobicContact CE-CD1 4.05Å; M29-F164 HydrophobicContact CE-CG 3.91Å; M29-F164 HydrophobicContact CG-CD1 3.62Å; M29-F164 HydrophobicContact CG-CE1 3.78Å; M29-F164 HydrophobicContact CG-CG 4.36Å; V135-F164 HydrophobicContact CG1-CB 3.82Å; V135-F164 HydrophobicContact CG1-CD2 4.01Å; V135-F164 HydrophobicContact CG1-CG 4.27Å; Y136-F164 PolarHBondContact O-N 2.97Å; L137-F164 HydrophobicContact CD1-CB 4.46Å; L137-F164 HydrophobicContact CD1-CD1 3.82Å; R162-F164 PolarHBondContact O-N 3.13Å; F164-P166 HydrophobicContact CD1-CB 4.31Å; F164-P166 HydrophobicContact CE1-CB 3.69Å; F164-P166 HydrophobicContact CZ-CB 4.4Å
165K97.1Very high96.3Very high176 Ų17695.5 Ų95.577%0.76551%0.507SS*.  trans-118.3101.8174.1-65.8-174.4179.8-177.20107.1
166P94Very high96.1Very high61 Ų6193.8 Ų93.840%0.39650%0.498SS..  trans-67.7148.4-176.629.2-35.2000110.6L137 F164 S168L137-P166 HydrophobicContact CD1-CG 4.31Å; F164-P166 HydrophobicContact CD1-CB 4.31Å; F164-P166 HydrophobicContact CE1-CB 3.69Å; F164-P166 HydrophobicContact CZ-CB 4.4Å; P166-S168 WeakPolarHBondContact CB-O 3.21Å
167K91.9Very high95.8Very high145 Ų14590 Ų9063%0.6349%0.486SS*.SBendtrans-74.6-31.8172.9-65.3-167.8-176-166.50112.4E23 D26E23-K167 IonicContact OE1-NZ 2.72Å; E23-K167 PolarHBondContact OE1-NZ 2.86Å; E23-K167 WeakPolarHBondContact OE2-CE 3.5Å; E23-K167 IonicContact OE2-NZ 2.79Å; E23-K167 PolarHBondContact OE2-NZ 3.36Å; D26-K167 PolarHBondContact OD1-N 2.95Å
168S91.1Very high95.4Very high67 Ų6794.9 Ų94.947%0.46951%0.506SS..SBendtrans-126.3138.8174.6178.10000109.4P166 E170P166-S168 WeakPolarHBondContact CB-O 3.21Å; S168-E170 PolarHBondContact O-N 3.41Å; S168-E170 PolarHBondContact OG-N 2.99Å; S168-E170 PolarHBondContact OG-O 3.4Å
169S91.8Very high95.1Very high128 Ų12898 Ų9890%0.89551%0.509SS*.SBendtrans-68.9-16.7176.252.60000113.5
170E94.6Very high94.4Very high139 Ų139103.6 Ų103.665%0.6553%0.534SS*.  trans-142.2147.4-175.1-173.4173.2-125.400112.1S168 V172S168-E170 PolarHBondContact O-N 3.41Å; S168-E170 PolarHBondContact OG-N 2.99Å; S168-E170 PolarHBondContact OG-O 3.4Å; E170-V172 HydrophobicContact CG-CG2 4.28Å
171I95.2Very high93Very high81 Ų81109.7 Ų109.742%0.41555%0.554SS.*  trans-131.1125.1170.5-63.9163.4000107.1L22 A30L22-I171 HydrophobicContact CD1-CD1 3.67Å; L22-I171 HydrophobicContact CD1-CG1 4.19Å; L22-I171 HydrophobicContact CD2-CD1 4.04Å; A30-I171 HydrophobicContact CB-CD1 3.59Å
172V95.4Very high91.1Very high110 Ų110111 Ų11167%0.66758%0.577SS**  trans-101125.8-179.6-179.40000109.8E170E170-V172 HydrophobicContact CG-CG2 4.28Å
173I95.4Very high88.8Confident103 Ų103114 Ų11453%0.52860%0.598SS.*  trans-99.999.4170.3-57.1177.4000107.6L34 F175L34-I173 HydrophobicContact CD1-CD1 4Å; L34-I173 HydrophobicContact CD2-CD1 3.9Å; I173-F175 HydrophobicContact CG2-CD1 4.47Å; I173-F175 HydrophobicContact CG2-CE1 4.07Å; I173-F175 HydrophobicContact CG2-CZ 4.45Å
174D94.8Very high86.4Confident67 Ų67114.4 Ų114.436%0.35862%0.619SS.*  trans-100.6111.3175.5175.817.8000110.6N176 S177D174-N176 PolarHBondContact O-N 3Å; D174-N176 WeakPolarHBondContact OD1-CB 3.19Å; D174-N176 PolarHBondContact OD1-N 3.12Å; D174-S177 VanDerWaalsContact O-CB 3.27Å; D174-S177 WeakPolarHBondContact O-CB 3.36Å; D174-S177 PolarHBondContact O-N 3.43Å; D174-S177 VanDerWaalsContact O-N 3.16Å; D174-S177 PolarHBondContact O-OG 2.71Å; D174-S177 PolarHBondContact OD2-N 3.23Å
175F94.7Very high83.9Confident175 Ų175116.4 Ų116.477%0.76864%0.643SS**THydrogen-bonded Turntrans-65.9-20177.4-63.5-54.3000113.4I173I173-F175 HydrophobicContact CG2-CD1 4.47Å; I173-F175 HydrophobicContact CG2-CE1 4.07Å; I173-F175 HydrophobicContact CG2-CZ 4.45Å
176N94.3Very high81.2Confident96 Ų96115.2 Ų115.251%0.51365%0.645SS.*THydrogen-bonded Turntrans-85-12.5176.3-64.2-55.7000113.2D174 I178 N179D174-N176 PolarHBondContact O-N 3Å; D174-N176 WeakPolarHBondContact OD1-CB 3.19Å; D174-N176 PolarHBondContact OD1-N 3.12Å; N176-I178 PolarHBondContact O-N 2.99Å; N176-I178 VanDerWaalsContact O-N 3.08Å; N176-N179 WeakPolarHBondContact O-CB 3.47Å; N176-N179 PolarHBondContact O-N 3.36Å
177S91.3Very high78.7Confident73 Ų73118.2 Ų118.251%0.5167%0.665SS.*G310 helixtrans-54.1-34.1-176.462.20000113.6D174 N179 H180D174-S177 VanDerWaalsContact O-CB 3.27Å; D174-S177 WeakPolarHBondContact O-CB 3.36Å; D174-S177 PolarHBondContact O-N 3.43Å; D174-S177 VanDerWaalsContact O-N 3.16Å; D174-S177 PolarHBondContact O-OG 2.71Å; D174-S177 PolarHBondContact OD2-N 3.23Å; S177-N179 VanDerWaalsContact C-N 3.27Å; S177-N179 PolarHBondContact O-N 2.97Å; S177-H180 PolarHBondContact O-N 3.45Å
178I91.6Very high76.2Confident143 Ų143118.4 Ų118.473%0.73367%0.668SS**G310 helixtrans-68.3-24.6178.5-164.660.2000113.5N176 H180N176-I178 PolarHBondContact O-N 2.99Å; N176-I178 VanDerWaalsContact O-N 3.08Å; I178-H180 VanDerWaalsContact C-N 3.34Å
179N91.3Very high74Confident121 Ų121123.8 Ų123.865%0.64769%0.686SS**G310 helixtrans-82.5-15.8-179.9-61.5-41.9000112.1N176 S177N176-N179 WeakPolarHBondContact O-CB 3.47Å; N176-N179 PolarHBondContact O-N 3.36Å; S177-N179 VanDerWaalsContact C-N 3.27Å; S177-N179 PolarHBondContact O-N 2.97Å
180H84.9Confident71.3Confident126 Ų126130 Ų13058%0.58369%0.69SS**SBendtrans-81.3124.4176.3-60-48.6000109.9S177 I178 G182S177-H180 PolarHBondContact O-N 3.45Å; I178-H180 VanDerWaalsContact C-N 3.34Å; H180-G182 PolarHBondContact O-N 3.39Å
181R69.8Low68.2Low247 Ų247126.5 Ų126.593%0.93269%0.691SS**  trans-62.1121170.1-71-172.8-179.9-1710.6107.6N183R181-N183 PolarHBondContact O-N 2.99Å
182G59Low65.7Low79 Ų79131.7 Ų131.781%0.81471%0.713SS**  trans-53.2105.3-168.800000112.8H180H180-G182 PolarHBondContact O-N 3.39Å
183N49.1Very low62.8Low144 Ų144135.1 Ų135.177%0.7772%0.722SS**  trans-87.7110.6153-105.13.1000106.5R181 G185R181-N183 PolarHBondContact O-N 2.99Å; N183-G185 PolarHBondContact O-N 2.78Å; N183-G185 VanDerWaalsContact O-N 3.1Å
184A49.3Very low59.7Low108 Ų108138 Ų13889%0.89374%0.738SS**SBendtrans-56.8113.8164.500000108.1
185G44.8Very low56.8Low55 Ų55139.2 Ų139.257%0.56775%0.752SS**  trans93.997.6176.600000113.3N183N183-G185 PolarHBondContact O-N 2.78Å; N183-G185 VanDerWaalsContact O-N 3.1Å
186L42.1Very low53.9Low152 Ų152139.6 Ų139.680%0.79676%0.756SS**  trans-174.360.3141.3-96158.4000108.3H188L186-H188 VanDerWaalsContact C-N 3.31Å; L186-H188 HydrophobicContact CD2-CB 4.47Å
187C41.1Very low51Low123 Ų123140 Ų14083%0.83177%0.773SS**  trans-96.575.2145.8-1680000105.8
188H39.6Very low48.2Very low149 Ų149144.1 Ų144.169%0.6979%0.789SS**  trans-126115.1167.1-96.345.5000107.6L186L186-H188 VanDerWaalsContact C-N 3.31Å; L186-H188 HydrophobicContact CD2-CB 4.47Å
189Q43.8Very low45.3Very low180 Ų180141.1 Ų141.184%0.84179%0.793SS**  trans26.299.9142.2-60.5-179.5-10.300115.3G191Q189-G191 VanDerWaalsContact C-N 3.27Å; Q189-G191 PolarHBondContact O-N 3.5Å; Q189-G191 VanDerWaalsContact O-N 3.15Å
190R34.6Very low42.5Very low259 Ų259144 Ų14498%0.97780%0.803SS**  trans-81.584.2154.3-83.7-171.4176.6-162.5-0.5109
191G30.5Very low40Very low66 Ų66143.8 Ų143.868%0.6881%0.81SS**  trans-70.3154.8149.700000110.2Q189Q189-G191 VanDerWaalsContact C-N 3.27Å; Q189-G191 PolarHBondContact O-N 3.5Å; Q189-G191 VanDerWaalsContact O-N 3.15Å
192E42.5Very low38.7Very low189 Ų189137.4 Ų137.488%0.88380%0.801SS**  trans-48.2139.2-175-57.7167.2126.200114.6
193Q34Very low37.6Very low182 Ų182141 Ų14185%0.8580%0.802SS**  161.2140.9125.1-90.3179.9-3.500112.2
194L31.9Very low36.9Very low163 Ų163139.9 Ų139.985%0.85381%0.805SS**  trans173.584.2139.7-90165000105.2
195S32.6Very low36.2Very low93 Ų93139.4 Ų139.465%0.6580%0.801SS**  47.8104.184.178.70000115.1
196Q33.4Very low35.8Very low183 Ų183141.7 Ų141.786%0.85582%0.815SS**  trans20.1130.2142.1-65.9177.8-23.600119.5
197A33.8Very low35.5Very low106 Ų106139.2 Ų139.288%0.87682%0.816SS**  trans-136.4103.7149.800000108.8
198D33.5Very low35.4Very low159 Ų159139.1 Ų139.185%0.8582%0.817SS**  trans-89.6147.6158.3-76.5-45.8000109
199G29.5Very low35.4Very low79 Ų79140.2 Ų140.281%0.81483%0.825SS**  trans168.580.1172.400000115.1
200E32.3Very low35.2Very low181 Ų181138.7 Ų138.785%0.84682%0.822SS**  trans-30.3161.8155.4-72.5178.8146.600115.9
201T33.9Very low35.3Very low122 Ų122133.7 Ų133.775%0.74882%0.815SS**  cis-174.9-174.710.226.70000105.6
202P42Very low35.9Very low114 Ų114139.4 Ų139.474%0.7484%0.844SS**  cis-141.1156.41938.3-15.7000119.6
203D35.1Very low35.6Very low154 Ų154137 Ų13782%0.82484%0.843SS**  trans16.6121.2137.4-117.1-14.7000120
204S34.7Very low35.7Very low121 Ų121134.6 Ų134.685%0.84684%0.842SS**  trans-146.8125.4135.562.80000110.3
205A35.5Very low35.9Very low97 Ų97133 Ų13380%0.80284%0.842SS**  trans-72.6151.3-175.400000113.6
206A35.4Very low36.1Very low104 Ų104135.4 Ų135.486%0.8685%0.853SS**  -176.3140.5122.900000111.5
207A36.3Very low36.2Very low100 Ų100132.4 Ų132.483%0.82685%0.853SS**  trans-73.1154.4-176.700000114.4
208S37.9Very low36.4Very low121 Ų121134.1 Ų134.185%0.84685%0.851SS**  -167.6126.9125.760.10000111.8
209M40.4Very low36.6Very low172 Ų172132.4 Ų132.485%0.84785%0.851SS**  trans-73158.3169.4-68.316816300112.6
210N39.2Very low37.2Very low148 Ų148136.5 Ų136.579%0.79185%0.854SS**  trans62.2126.2152.1-65.1-7.6000119.5
211N37Very low37.6Very low154 Ų154132.8 Ų132.882%0.82486%0.855SS**  176.5148.687.1-143.68.2000112.3
212S43.4Very low37.9Very low186 Ų186133.7 Ų133.7100%1.30186%0.864SS**  trans860169.5-39.70000118.4

Retrieved 212 of 212 residues in 86.4 ms (Link to these results)

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