A0A077ZC54_TRITR Loading...

ADP ribosylation factor protein 5B like

AlphaFold DB , UniProt , Accession A0A077ZC54, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 141 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.9Very low66.4Low246 Ų246124.6 Ų124.6100%1.21272%0.717SS**  0109.50-80.3174.4174.400105.4E3M1-E3 PolarHBondContact O-N 3.12Å
2G49.7Very low67.7Low76 Ų76117.7 Ų117.778%0.78469%0.692SS**  trans-75.5118.2-151.600000113V4G2-V4 PolarHBondContact O-N 2.74Å
3E47.7Very low69.1Low175 Ų175111.9 Ų111.982%0.81866%0.662SS**  trans-54.8125.8160.5-140.5173.3-176.800107.6M1 V5M1-E3 PolarHBondContact O-N 3.12Å; E3-V5 VanDerWaalsContact C-N 3.29Å; E3-V5 PolarHBondContact O-N 2.92Å
4V56.9Low70.4Confident117 Ų117110 Ų11071%0.70965%0.647SS**  trans-70.495.8171.9178.30000106.1G2 H6 L123G2-V4 PolarHBondContact O-N 2.74Å; V4-H6 PolarHBondContact O-N 3.2Å; V4-H6 VanDerWaalsContact O-N 3.14Å; V4-L123 HydrophobicContact CG1-CD2 4.41Å
5V68.6Low71.8Confident109 Ų109107.1 Ų107.166%0.66163%0.631SS**  trans-68112.1176.9-178.40000107.7E3 T7E3-V5 VanDerWaalsContact C-N 3.29Å; E3-V5 PolarHBondContact O-N 2.92Å; V5-T7 PolarHBondContact O-N 2.97Å
6H71.4Confident73Confident167 Ų167108.4 Ų108.477%0.77363%0.629SS**  trans-67.1123.2171.7-175.6-76.4000108.8V4V4-H6 PolarHBondContact O-N 3.2Å; V4-H6 VanDerWaalsContact O-N 3.14Å
7T77.8Confident74.3Confident113 Ų113109.1 Ų109.169%0.69363%0.625SS**  trans-106.6142.4179.253.10000110.6V5V5-T7 PolarHBondContact O-N 2.97Å
8S78.3Confident75.3Confident91 Ų91105.7 Ų105.764%0.63661%0.606SS**PPolyproline II helixtrans-99.1154.8168.3-67.30000109.2T10S8-T10 PolarHBondContact O-N 3.41Å
9P83.4Confident76.2Confident103 Ų103104.4 Ų104.467%0.66960%0.6SS**PPolyproline II helixtrans-53.1127.8175.6-26.134.5000112I11P9-I11 PolarHBondContact O-N 3.18Å
10T81.8Confident77.1Confident35 Ų35102.5 Ų102.522%0.21558%0.583CS.*PPolyproline II helixtrans-67.2121.6176.6-47.60000109.8S8 G12 D29S8-T10 PolarHBondContact O-N 3.41Å; T10-G12 WeakPolarHBondContact CG2-O 3.35Å; T10-D29 PolarHBondContact OG1-OD2 3.37Å
11I79.7Confident77.6Confident139 Ų139105.5 Ų105.571%0.71359%0.585SS**SBendtrans-94.6-17.6179.3-62175000111.6P9 L36P9-I11 PolarHBondContact O-N 3.18Å; I11-L36 WeakPolarHBondContact O-CD1 3.5Å; I11-L36 WeakPolarHBondContact O-CD2 3.25Å
12G82.5Confident80.3Confident41 Ų41101 Ų10142%0.42357%0.566SS.*SBendtrans-135-123.2178.900000111.5T10 G31T10-G12 WeakPolarHBondContact CG2-O 3.35Å; G12-G31 PolarHBondContact O-N 3.19Å; G12-G31 VanDerWaalsContact O-N 3.08Å
13S85.2Confident82.3Confident43 Ų4399.6 Ų99.630%0.30154%0.54SS..EExtended strand (participates in β ladder)trans-133.5144.2172.759.40000111.5D29 Y43S13-D29 CarbonylContact C-O 3.53Å; S13-D29 WeakPolarHBondContact CA-O 3.43Å; S13-D29 WeakPolarHBondContact CB-O 3.34Å; S13-Y43 VanDerWaalsContact CB-OH 3.27Å; S13-Y43 WeakPolarHBondContact CB-OH 3.09Å; S13-Y43 PolarHBondContact OG-OH 3.33Å
14N87.4Confident84.6Confident85 Ų8596.8 Ų96.846%0.45553%0.526SS..EExtended strand (participates in β ladder)trans-111.1146.5169.1-70.372.9000108.7W28 D29N14-W28 CarbonylContact O-C 3.49Å; N14-W28 WeakPolarHBondContact O-CA 3.43Å; N14-D29 HydrophobicContact CB-CB 4.29Å; N14-D29 PolarHBondContact N-O 3.24Å; N14-D29 PolarHBondContact O-N 2.81Å
15V91Very high86.4Confident67 Ų6791.9 Ų91.941%0.40650%0.496SS..EExtended strand (participates in β ladder)trans-121.1128.8173.864.70000109L26 M27 W28V15-L26 HydrophobicContact CG2-CD1 3.45Å; V15-L26 VanDerWaalsContact CG2-CD1 3.45Å; V15-L26 HydrophobicContact CG2-CD2 4.49Å; V15-L26 HydrophobicContact CG2-CG 3.86Å; V15-M27 WeakPolarHBondContact CA-O 3.33Å; V15-W28 HydrophobicContact CB-CD2 4.1Å; V15-W28 HydrophobicContact CB-CE3 3.83Å; V15-W28 HydrophobicContact CB-CH2 4.13Å; V15-W28 HydrophobicContact CB-CZ2 4.37Å; V15-W28 HydrophobicContact CB-CZ3 3.86Å; V15-W28 HydrophobicContact CG1-CH2 4.42Å; V15-W28 HydrophobicContact CG1-CZ3 4.34Å; V15-W28 HydrophobicContact CG2-CD2 3.99Å; V15-W28 HydrophobicContact CG2-CE3 4.23Å; V15-W28 HydrophobicContact CG2-CH2 4.24Å; V15-W28 HydrophobicContact CG2-CZ2 3.99Å; V15-W28 HydrophobicContact CG2-CZ3 4.35Å
16E91.9Very high87.7Confident128 Ų12892 Ų9260%0.59849%0.492SS*.EExtended strand (participates in β ladder)trans-133.9144-179.9-68.8-67.6164.900109.5M27E16-M27 PolarHBondContact N-O 2.86Å; E16-M27 PolarHBondContact O-N 3.4Å
17E94.3Very high88.8Confident120 Ų12086.9 Ų86.956%0.56147%0.469SS*.EExtended strand (participates in β ladder)trans-99.2120.1172.7-174.7177.4-149.500109.8V19 H24 F25E17-V19 HydrophobicContact CG-CG2 4.47Å; E17-H24 WeakPolarHBondContact OE1-CB 3.44Å; E17-H24 IonicContact OE1-CE1 3.83Å; E17-H24 IonicContact OE1-CG 2.88Å; E17-H24 IonicContact OE1-ND1 3.21Å; E17-H24 PolarHBondContact OE1-ND1 3.09Å; E17-F25 WeakPolarHBondContact CA-O 3.42Å
18V92.8Very high89.7Confident48 Ų4887.9 Ų87.929%0.29146%0.46SS..EExtended strand (participates in β ladder)trans-109.5118.4175.4178.60000109.1F25 M27 L132V18-F25 HydrophobicContact CB-CB 4.38Å; V18-F25 PolarHBondContact N-O 3.18Å; V18-F25 WeakPolarHBondContact O-CB 3.35Å; V18-F25 PolarHBondContact O-N 2.97Å; V18-M27 HydrophobicContact CB-SD 3.91Å; V18-M27 HydrophobicContact CG2-CG 4.5Å; V18-M27 HydrophobicContact CG2-SD 3.57Å; V18-M27 VanDerWaalsContact CG2-SD 3.57Å; V18-L132 HydrophobicContact CG1-CD1 4.26Å
19V93Very high90.3Very high80 Ų8087.8 Ų87.849%0.48545%0.452SS..EExtended strand (participates in β ladder)trans-94.9122177.3-174.70000110.2E17 I23E17-V19 HydrophobicContact CG-CG2 4.47Å; V19-I23 CarbonylContact C-O 3.53Å; V19-I23 WeakPolarHBondContact CA-O 3.3Å
20W92.9Very high90.7Very high66 Ų6685 Ų8525%0.2543%0.431CS..EExtended strand (participates in β ladder)trans-139.1122.7177.3-175.9-99.6000111.2N22 I23 F25 R129 L132 E133W20-N22 VanDerWaalsContact C-N 3.28Å; W20-N22 PolarHBondContact O-N 3.09Å; W20-I23 PolarHBondContact N-O 3.01Å; W20-I23 WeakPolarHBondContact O-CA 3.32Å; W20-I23 VanDerWaalsContact O-CB 3.29Å; W20-I23 WeakPolarHBondContact O-CB 3.49Å; W20-I23 PolarHBondContact O-N 2.71Å; W20-F25 HydrophobicContact CB-CD2 4.3Å; W20-F25 HydrophobicContact CB-CE2 3.99Å; W20-R129 HydrophobicContact CH2-CB 3.95Å; W20-R129 HydrophobicContact CH2-CG 3.71Å; W20-R129 HydrophobicContact CZ2-CB 4.39Å; W20-R129 HydrophobicContact CZ3-CG 3.94Å; W20-L132 HydrophobicContact CD2-CB 4.33Å; W20-L132 HydrophobicContact CE3-CD1 4.46Å; W20-L132 HydrophobicContact CG-CB 4.25Å; W20-E133 PolarHBondContact NE1-OE2 3.08Å
21R88.3Confident91Very high166 Ų16683.3 Ų83.363%0.62642%0.422SS*.THydrogen-bonded Turntrans48.943.4-176.6-63.1-172.6176.6-85.211.3114.4I23 E133R21-I23 PolarHBondContact O-N 3.14Å; R21-E133 IonicContact CZ-OE1 2.65Å; R21-E133 IonicContact CZ-OE2 2.67Å; R21-E133 IonicContact NE-OE1 3.06Å; R21-E133 PolarHBondContact NE-OE1 2.67Å; R21-E133 IonicContact NE-OE2 2.64Å; R21-E133 PolarHBondContact NE-OE2 3.34Å; R21-E133 IonicContact NH2-OE1 3.68Å; R21-E133 PolarHBondContact NH2-OE1 3.35Å; R21-E133 IonicContact NH2-OE2 2.78Å
22N90.7Very high91.3Very high153 Ų15378.9 Ų78.982%0.81841%0.41SS*.THydrogen-bonded Turntrans64.312.2-175.4-51.3-19.2000114.6W20W20-N22 VanDerWaalsContact C-N 3.28Å; W20-N22 PolarHBondContact O-N 3.09Å
23I93.6Very high91.4Very high46 Ų4681.2 Ų81.224%0.23641%0.41CS..EExtended strand (participates in β ladder)trans-96.5131.8168.7-56.4170.3000107.4V19 W20 R21 F25 A136 V139V19-I23 CarbonylContact C-O 3.53Å; V19-I23 WeakPolarHBondContact CA-O 3.3Å; W20-I23 PolarHBondContact N-O 3.01Å; W20-I23 WeakPolarHBondContact O-CA 3.32Å; W20-I23 VanDerWaalsContact O-CB 3.29Å; W20-I23 WeakPolarHBondContact O-CB 3.49Å; W20-I23 PolarHBondContact O-N 2.71Å; R21-I23 PolarHBondContact O-N 3.14Å; I23-F25 HydrophobicContact CB-CD2 4.47Å; I23-F25 HydrophobicContact CB-CE2 3.82Å; I23-F25 HydrophobicContact CB-CZ 4.15Å; I23-F25 HydrophobicContact CD1-CZ 4.48Å; I23-F25 HydrophobicContact CG2-CD1 4.47Å; I23-F25 HydrophobicContact CG2-CD2 4.08Å; I23-F25 HydrophobicContact CG2-CE1 4.04Å; I23-F25 HydrophobicContact CG2-CE2 3.58Å; I23-F25 HydrophobicContact CG2-CZ 3.57Å; I23-A136 HydrophobicContact CD1-CB 3.75Å; I23-V139 HydrophobicContact CD1-CB 4.31Å; I23-V139 HydrophobicContact CD1-CG2 4.26Å; I23-V139 HydrophobicContact CG2-CG2 4.3Å
24H94.9Very high91.4Very high115 Ų11584.9 Ų84.953%0.53243%0.426SS..EExtended strand (participates in β ladder)trans-99.5109.2178-70.9-117000108.4E17E17-H24 WeakPolarHBondContact OE1-CB 3.44Å; E17-H24 IonicContact OE1-CE1 3.83Å; E17-H24 IonicContact OE1-CG 2.88Å; E17-H24 IonicContact OE1-ND1 3.21Å; E17-H24 PolarHBondContact OE1-ND1 3.09Å
25F95Very high91.2Very high15 Ų1585.1 Ų85.17%0.06644%0.44CS..EExtended strand (participates in β ladder)trans-93.8111.9176.3-65.6-83.3000109.1E17 V18 W20 I23 M27 F49 M135 A136 V139E17-F25 WeakPolarHBondContact CA-O 3.42Å; V18-F25 HydrophobicContact CB-CB 4.38Å; V18-F25 PolarHBondContact N-O 3.18Å; V18-F25 WeakPolarHBondContact O-CB 3.35Å; V18-F25 PolarHBondContact O-N 2.97Å; W20-F25 HydrophobicContact CB-CD2 4.3Å; W20-F25 HydrophobicContact CB-CE2 3.99Å; I23-F25 HydrophobicContact CB-CD2 4.47Å; I23-F25 HydrophobicContact CB-CE2 3.82Å; I23-F25 HydrophobicContact CB-CZ 4.15Å; I23-F25 HydrophobicContact CD1-CZ 4.48Å; I23-F25 HydrophobicContact CG2-CD1 4.47Å; I23-F25 HydrophobicContact CG2-CD2 4.08Å; I23-F25 HydrophobicContact CG2-CE1 4.04Å; I23-F25 HydrophobicContact CG2-CE2 3.58Å; I23-F25 HydrophobicContact CG2-CZ 3.57Å; F25-M27 HydrophobicContact CB-CG 4.03Å; F25-M27 HydrophobicContact CB-SD 4.35Å; F25-M27 PolarHBondContact O-N 3.01Å; F25-F49 HydrophobicContact CE1-CE2 4.38Å; F25-M135 HydrophobicContact CD1-CE 3.85Å; F25-M135 HydrophobicContact CE1-CB 4.09Å; F25-M135 HydrophobicContact CE1-CE 3.93Å; F25-M135 HydrophobicContact CZ-CB 4.24Å; F25-A136 HydrophobicContact CZ-CB 4.29Å; F25-V139 HydrophobicContact CE1-CG2 4.09Å; F25-V139 HydrophobicContact CZ-CG2 4.25Å
26L95.8Very high91Very high112 Ų11283.6 Ų83.659%0.58643%0.429SS*.EExtended strand (participates in β ladder)trans-83.3108.9168.1-170.768.7000108.6V15V15-L26 HydrophobicContact CG2-CD1 3.45Å; V15-L26 VanDerWaalsContact CG2-CD1 3.45Å; V15-L26 HydrophobicContact CG2-CD2 4.49Å; V15-L26 HydrophobicContact CG2-CG 3.86Å
27M95.4Very high90.8Very high58 Ų5880 Ų8029%0.28641%0.41SS..EExtended strand (participates in β ladder)trans-109.7125.8-172.1-61.5-176.261.100110.3V15 E16 V18 F25 I51V15-M27 WeakPolarHBondContact CA-O 3.33Å; E16-M27 PolarHBondContact N-O 2.86Å; E16-M27 PolarHBondContact O-N 3.4Å; V18-M27 HydrophobicContact CB-SD 3.91Å; V18-M27 HydrophobicContact CG2-CG 4.5Å; V18-M27 HydrophobicContact CG2-SD 3.57Å; V18-M27 VanDerWaalsContact CG2-SD 3.57Å; F25-M27 HydrophobicContact CB-CG 4.03Å; F25-M27 HydrophobicContact CB-SD 4.35Å; F25-M27 PolarHBondContact O-N 3.01Å; M27-I51 HydrophobicContact CE-CD1 3.45Å; M27-I51 VanDerWaalsContact CE-CD1 3.45Å
28W95Very high90.5Very high134 Ų13478.3 Ų78.351%0.50842%0.416SS..EExtended strand (participates in β ladder)trans-99.5111.2172.6-63.786.8000109N14 V15 I30 Y43N14-W28 CarbonylContact O-C 3.49Å; N14-W28 WeakPolarHBondContact O-CA 3.43Å; V15-W28 HydrophobicContact CB-CD2 4.1Å; V15-W28 HydrophobicContact CB-CE3 3.83Å; V15-W28 HydrophobicContact CB-CH2 4.13Å; V15-W28 HydrophobicContact CB-CZ2 4.37Å; V15-W28 HydrophobicContact CB-CZ3 3.86Å; V15-W28 HydrophobicContact CG1-CH2 4.42Å; V15-W28 HydrophobicContact CG1-CZ3 4.34Å; V15-W28 HydrophobicContact CG2-CD2 3.99Å; V15-W28 HydrophobicContact CG2-CE3 4.23Å; V15-W28 HydrophobicContact CG2-CH2 4.24Å; V15-W28 HydrophobicContact CG2-CZ2 3.99Å; V15-W28 HydrophobicContact CG2-CZ3 4.35Å; W28-I30 HydrophobicContact CB-CG1 4.37Å; W28-Y43 HydrophobicContact CD2-CD1 4.29Å; W28-Y43 HydrophobicContact CE3-CD1 4.13Å; W28-Y43 AromaticContact CE3-CE1 3.92Å; W28-Y43 HydrophobicContact CE3-CE1 3.92Å; W28-Y43 HydrophobicContact CG-CD1 4.46Å; W28-Y43 HydrophobicContact CZ3-CE1 4.36Å
29D92.7Very high90.3Very high89 Ų8978.2 Ų78.248%0.47642%0.418SS..EExtended strand (participates in β ladder)trans-83.4124.7167.4177.836.4000108.8T10 S13 N14T10-D29 PolarHBondContact OG1-OD2 3.37Å; S13-D29 CarbonylContact C-O 3.53Å; S13-D29 WeakPolarHBondContact CA-O 3.43Å; S13-D29 WeakPolarHBondContact CB-O 3.34Å; N14-D29 HydrophobicContact CB-CB 4.29Å; N14-D29 PolarHBondContact N-O 3.24Å; N14-D29 PolarHBondContact O-N 2.81Å
30I91.1Very high90.4Very high44 Ų4476.2 Ų76.223%0.22640%0.402CS..EExtended strand (participates in β ladder)trans-122.9130.8-171.1-53170.6000108.7W28 G32 W40 Y43W28-I30 HydrophobicContact CB-CG1 4.37Å; I30-G32 PolarHBondContact O-N 3.2Å; I30-W40 VanDerWaalsContact CG2-CD1 3.43Å; I30-W40 HydrophobicContact CG2-CG 4.45Å; I30-Y43 HydrophobicContact CD1-CD1 4.17Å; I30-Y43 HydrophobicContact CD1-CD2 3.7Å; I30-Y43 HydrophobicContact CD1-CE2 4.4Å; I30-Y43 HydrophobicContact CD1-CG 3.57Å; I30-Y43 HydrophobicContact CG1-CD1 4.5Å; I30-Y43 HydrophobicContact CG1-CD2 4.32Å; I30-Y43 HydrophobicContact CG1-CG 4.29Å; I30-Y43 HydrophobicContact CG2-CD2 4.47Å; I30-Y43 HydrophobicContact CG2-CE2 4.32Å
31G87.7Confident90.4Very high1 Ų176.6 Ų76.61%0.0141%0.409CS..  trans-54.4130.2179.600000113.7G12 W40G12-G31 PolarHBondContact O-N 3.19Å; G12-G31 VanDerWaalsContact O-N 3.08Å; G31-W40 PolarHBondContact O-NE1 3.46Å
32G85.2Confident90.6Very high45 Ų4573.3 Ų73.346%0.46441%0.407SS..  trans-90.90.6-176.700000116.1I30 R37I30-G32 PolarHBondContact O-N 3.2Å; G32-R37 PolarHBondContact O-NE 3.04Å; G32-R37 PolarHBondContact O-NH2 3.38Å
33Q85.9Confident90.8Very high91 Ų9169.1 Ų69.143%0.42538%0.38SS..SBendtrans-64.4145.3-179.2-57.2-176.432.100110.5A35 L36 R37Q33-A35 PolarHBondContact O-N 3.06Å; Q33-A35 VanDerWaalsContact O-N 3.11Å; Q33-L36 HydrophobicContact CB-CD1 4.18Å; Q33-L36 HydrophobicContact CB-CG 4.32Å; Q33-L36 HydrophobicContact CG-CD1 4.43Å; Q33-L36 PolarHBondContact O-N 3.33Å; Q33-R37 PolarHBondContact O-N 3.16Å
34D84.7Confident90.9Very high120 Ų12067.9 Ų67.964%0.64237%0.373SS*.G310 helixtrans-52.2-40.6-175.1-69.6-5.3000112.7L36 R37D34-L36 PolarHBondContact O-N 3.12Å; D34-R37 PolarHBondContact O-N 2.98Å; D34-R37 IonicContact OD1-CZ 3.61Å; D34-R37 IonicContact OD1-NE 2.69Å; D34-R37 IonicContact OD1-NH1 2.79Å; D34-R37 PolarHBondContact OD1-NH1 2.83Å; D34-R37 IonicContact OD1-NH2 3.54Å; D34-R37 PolarHBondContact OD1-NH2 2.91Å
35A83.7Confident90.9Very high90 Ų9066.4 Ų66.474%0.74437%0.372SS*.G310 helixtrans-64.9-23178.800000114.2Q33Q33-A35 PolarHBondContact O-N 3.06Å; Q33-A35 VanDerWaalsContact O-N 3.11Å
36L86.3Confident90.8Very high35 Ų3573 Ų7318%0.18341%0.408CS..G310 helixtrans-95.1-16.1-177.2-59.8176.6000112.7I11 Q33 D34 A38 S39I11-L36 WeakPolarHBondContact O-CD1 3.5Å; I11-L36 WeakPolarHBondContact O-CD2 3.25Å; Q33-L36 HydrophobicContact CB-CD1 4.18Å; Q33-L36 HydrophobicContact CB-CG 4.32Å; Q33-L36 HydrophobicContact CG-CD1 4.43Å; Q33-L36 PolarHBondContact O-N 3.33Å; D34-L36 PolarHBondContact O-N 3.12Å; L36-A38 PolarHBondContact O-N 3.29Å; L36-S39 PolarHBondContact O-N 3.39Å; L36-S39 VanDerWaalsContact O-N 3.08Å; L36-S39 PolarHBondContact O-OG 3.17Å
37R87.9Confident90.8Very high53 Ų5369.5 Ų69.520%0.239%0.391CS..G310 helixtrans-63.9-25.9-177.1-58.4-161.4-175.311817.3113.5G32 Q33 D34 S39 W40G32-R37 PolarHBondContact O-NE 3.04Å; G32-R37 PolarHBondContact O-NH2 3.38Å; Q33-R37 PolarHBondContact O-N 3.16Å; D34-R37 PolarHBondContact O-N 2.98Å; D34-R37 IonicContact OD1-CZ 3.61Å; D34-R37 IonicContact OD1-NE 2.69Å; D34-R37 IonicContact OD1-NH1 2.79Å; D34-R37 PolarHBondContact OD1-NH1 2.83Å; D34-R37 IonicContact OD1-NH2 3.54Å; D34-R37 PolarHBondContact OD1-NH2 2.91Å; R37-S39 PolarHBondContact O-N 2.88Å; R37-W40 HydrophobicContact CB-CD2 4.21Å; R37-W40 HydrophobicContact CB-CE3 4.44Å; R37-W40 HydrophobicContact CB-CZ2 4.36Å; R37-W40 HydrophobicContact CG-CD2 4.36Å; R37-W40 HydrophobicContact CG-CH2 3.94Å; R37-W40 HydrophobicContact CG-CZ2 3.62Å; R37-W40 HydrophobicContact CG-CZ3 4.41Å; R37-W40 PolarHBondContact O-N 2.93Å
38A87.4Confident90.8Very high83 Ų8373 Ų7369%0.68641%0.407SS*.G310 helixtrans-64.9-23.5177.300000113.1L36 N41L36-A38 PolarHBondContact O-N 3.29Å; A38-N41 PolarHBondContact O-OD1 3.2Å
39S89.8Confident90.9Very high47 Ų4768.1 Ų68.133%0.32939%0.389SS..G310 helixtrans-100.61.4179.962.10000113.7L36 R37 N41 T42L36-S39 PolarHBondContact O-N 3.39Å; L36-S39 VanDerWaalsContact O-N 3.08Å; L36-S39 PolarHBondContact O-OG 3.17Å; R37-S39 PolarHBondContact O-N 2.88Å; S39-N41 PolarHBondContact O-N 2.67Å; S39-T42 PolarHBondContact O-N 3.35Å; S39-T42 VanDerWaalsContact O-N 3.12Å; S39-T42 PolarHBondContact O-OG1 3.21Å
40W93.9Very high91.1Very high37 Ų3764.7 Ų64.714%0.1437%0.371CS..G310 helixtrans-57.1-34.8179-73.3-4.6000112.6I30 G31 R37 T42 Y43 Y44 E68I30-W40 VanDerWaalsContact CG2-CD1 3.43Å; I30-W40 HydrophobicContact CG2-CG 4.45Å; G31-W40 PolarHBondContact O-NE1 3.46Å; R37-W40 HydrophobicContact CB-CD2 4.21Å; R37-W40 HydrophobicContact CB-CE3 4.44Å; R37-W40 HydrophobicContact CB-CZ2 4.36Å; R37-W40 HydrophobicContact CG-CD2 4.36Å; R37-W40 HydrophobicContact CG-CH2 3.94Å; R37-W40 HydrophobicContact CG-CZ2 3.62Å; R37-W40 HydrophobicContact CG-CZ3 4.41Å; R37-W40 PolarHBondContact O-N 2.93Å; W40-T42 PolarHBondContact O-N 3.45Å; W40-T42 VanDerWaalsContact O-N 3.15Å; W40-Y43 PolarHBondContact O-N 2.99Å; W40-Y43 VanDerWaalsContact O-N 3.08Å; W40-Y44 VanDerWaalsContact C-CE1 3.49Å; W40-Y44 HydrophobicContact CB-CE1 3.96Å; W40-Y44 VanDerWaalsContact CB-OH 3.31Å; W40-Y44 WeakPolarHBondContact CB-OH 3.48Å; W40-Y44 VanDerWaalsContact O-CD1 3.26Å; W40-Y44 WeakPolarHBondContact O-CD1 3.31Å; W40-Y44 WeakPolarHBondContact O-CE1 3.48Å; W40-E68 HydrophobicContact CZ3-CB 4.11Å
41N93.6Very high91.4Very high75 Ų7565 Ų6540%0.40137%0.373SS..G310 helixtrans-63.5-19.7-178.670-36.5000114.1A38 S39 Y43 Y44A38-N41 PolarHBondContact O-OD1 3.2Å; S39-N41 PolarHBondContact O-N 2.67Å; N41-Y43 PolarHBondContact O-N 2.88Å; N41-Y43 VanDerWaalsContact O-N 3.14Å; N41-Y44 VanDerWaalsContact CA-CD2 3.5Å; N41-Y44 VanDerWaalsContact CA-CE2 3.49Å; N41-Y44 HydrophobicContact CB-CD2 3.84Å; N41-Y44 HydrophobicContact CB-CE2 3.73Å; N41-Y44 PolarHBondContact O-N 3.45Å
42T93.4Very high91.9Very high96 Ų9666.2 Ų66.259%0.58938%0.379SS*.G310 helixtrans-67.1-12.4175.667.70000112.9S39 W40S39-T42 PolarHBondContact O-N 3.35Å; S39-T42 VanDerWaalsContact O-N 3.12Å; S39-T42 PolarHBondContact O-OG1 3.21Å; W40-T42 PolarHBondContact O-N 3.45Å; W40-T42 VanDerWaalsContact O-N 3.15Å
43Y94Very high92.5Very high65 Ų6568.1 Ų68.126%0.25538%0.381SS..G310 helixtrans-106.7-1.7-179.1-58.4-91.5000113.3S13 W28 I30 W40 N41 T47S13-Y43 VanDerWaalsContact CB-OH 3.27Å; S13-Y43 WeakPolarHBondContact CB-OH 3.09Å; S13-Y43 PolarHBondContact OG-OH 3.33Å; W28-Y43 HydrophobicContact CD2-CD1 4.29Å; W28-Y43 HydrophobicContact CE3-CD1 4.13Å; W28-Y43 AromaticContact CE3-CE1 3.92Å; W28-Y43 HydrophobicContact CE3-CE1 3.92Å; W28-Y43 HydrophobicContact CG-CD1 4.46Å; W28-Y43 HydrophobicContact CZ3-CE1 4.36Å; I30-Y43 HydrophobicContact CD1-CD1 4.17Å; I30-Y43 HydrophobicContact CD1-CD2 3.7Å; I30-Y43 HydrophobicContact CD1-CE2 4.4Å; I30-Y43 HydrophobicContact CD1-CG 3.57Å; I30-Y43 HydrophobicContact CG1-CD1 4.5Å; I30-Y43 HydrophobicContact CG1-CD2 4.32Å; I30-Y43 HydrophobicContact CG1-CG 4.29Å; I30-Y43 HydrophobicContact CG2-CD2 4.47Å; I30-Y43 HydrophobicContact CG2-CE2 4.32Å; W40-Y43 PolarHBondContact O-N 2.99Å; W40-Y43 VanDerWaalsContact O-N 3.08Å; N41-Y43 PolarHBondContact O-N 2.88Å; N41-Y43 VanDerWaalsContact O-N 3.14Å; Y43-T47 PolarHBondContact O-OG1 3.25Å
44Y95.3Very high93Very high20 Ų2063.8 Ų63.88%0.07836%0.361CS..  trans-77.8-32.5-170.8-66.6-8.3000113.9W40 N41 N46 T47 M72 H75 L78W40-Y44 VanDerWaalsContact C-CE1 3.49Å; W40-Y44 HydrophobicContact CB-CE1 3.96Å; W40-Y44 VanDerWaalsContact CB-OH 3.31Å; W40-Y44 WeakPolarHBondContact CB-OH 3.48Å; W40-Y44 VanDerWaalsContact O-CD1 3.26Å; W40-Y44 WeakPolarHBondContact O-CD1 3.31Å; W40-Y44 WeakPolarHBondContact O-CE1 3.48Å; N41-Y44 VanDerWaalsContact CA-CD2 3.5Å; N41-Y44 VanDerWaalsContact CA-CE2 3.49Å; N41-Y44 HydrophobicContact CB-CD2 3.84Å; N41-Y44 HydrophobicContact CB-CE2 3.73Å; N41-Y44 PolarHBondContact O-N 3.45Å; Y44-N46 PolarHBondContact O-N 3.34Å; Y44-T47 WeakPolarHBondContact O-CB 3.42Å; Y44-T47 PolarHBondContact O-N 3.02Å; Y44-T47 PolarHBondContact O-OG1 3.1Å; Y44-T47 VanDerWaalsContact O-OG1 3.06Å; Y44-M72 HydrophobicContact CE1-CG 3.96Å; Y44-M72 HydrophobicContact CE1-SD 4.02Å; Y44-M72 HydrophobicContact CE2-CG 4.06Å; Y44-M72 WeakPolarHBondContact OH-CB 3.46Å; Y44-M72 VanDerWaalsContact OH-CG 3.24Å; Y44-M72 WeakPolarHBondContact OH-CG 3.48Å; Y44-H75 HydrophobicContact CD2-CB 3.84Å; Y44-H75 AromaticContact CD2-CD2 3.97Å; Y44-H75 AromaticContact CD2-CG 3.59Å; Y44-H75 AromaticContact CD2-ND1 3.76Å; Y44-H75 HydrophobicContact CE2-CB 4.01Å; Y44-L78 HydrophobicContact CD1-CD1 3.79Å; Y44-L78 HydrophobicContact CD1-CD2 4.22Å; Y44-L78 HydrophobicContact CD1-CG 4.25Å; Y44-L78 HydrophobicContact CD2-CD1 3.76Å; Y44-L78 HydrophobicContact CD2-CG 4.01Å; Y44-L78 HydrophobicContact CE1-CD1 3.95Å; Y44-L78 HydrophobicContact CE2-CD1 3.93Å; Y44-L78 HydrophobicContact CG-CD1 3.71Å; Y44-L78 HydrophobicContact CG-CD2 4.03Å; Y44-L78 HydrophobicContact CG-CG 3.81Å
45T94.8Very high93.6Very high84 Ų8459.5 Ų59.552%0.51534%0.339SS..THydrogen-bonded Turntrans-56.5130.6-177.7-54.40000110.8T47 D77T45-T47 PolarHBondContact O-N 2.96Å; T45-D77 PolarHBondContact OG1-OD2 3.4Å
46N93Very high94.3Very high155 Ų15555.2 Ų55.283%0.82930%0.303SS*.THydrogen-bonded Turntrans60.618.5-176.2-56.7-39.4000115.5Y44 E48Y44-N46 PolarHBondContact O-N 3.34Å; N46-E48 PolarHBondContact O-N 3.36Å
47T95.5Very high94.9Very high37 Ų3755.8 Ų55.823%0.22731%0.31CS..  trans-71.9118.7174.1-69.50000110.9Y43 Y44 T45 F49 V50 L78 S81Y43-T47 PolarHBondContact O-OG1 3.25Å; Y44-T47 WeakPolarHBondContact O-CB 3.42Å; Y44-T47 PolarHBondContact O-N 3.02Å; Y44-T47 PolarHBondContact O-OG1 3.1Å; Y44-T47 VanDerWaalsContact O-OG1 3.06Å; T45-T47 PolarHBondContact O-N 2.96Å; T47-F49 WeakPolarHBondContact CG2-O 3.5Å; T47-V50 HydrophobicContact CG2-CG2 3.85Å; T47-L78 HydrophobicContact CG2-CD2 3.87Å; T47-S81 WeakPolarHBondContact O-CB 3.39Å; T47-S81 PolarHBondContact O-OG 3.26Å
48E95.9Very high95.3Very high131 Ų13155.1 Ų55.161%0.61231%0.31SS*.SBendtrans-82.9-35.5174.4-66.6-174.9-10700112.5N46 S81 A82N46-E48 PolarHBondContact O-N 3.36Å; E48-S81 CarbonylContact O-C 3.59Å; E48-S81 VanDerWaalsContact O-CA 3.25Å; E48-S81 WeakPolarHBondContact O-CA 3.36Å; E48-A82 PolarHBondContact O-N 3.28Å
49F97.3Very high95.7Very high32 Ų3256.3 Ų56.314%0.1430%0.3CS..EExtended strand (participates in β ladder)trans-135.4136.8-177.5-60.9-87.8000111.1F25 T47 A82 W134 M135 H138 V139F25-F49 HydrophobicContact CE1-CE2 4.38Å; T47-F49 WeakPolarHBondContact CG2-O 3.5Å; F49-A82 CarbonylContact C-O 3.57Å; F49-A82 VanDerWaalsContact CA-O 3.25Å; F49-A82 WeakPolarHBondContact CA-O 3.47Å; F49-A82 HydrophobicContact CD1-CB 3.73Å; F49-A82 HydrophobicContact CE1-CB 3.8Å; F49-W134 HydrophobicContact CD1-CZ3 4.47Å; F49-M135 HydrophobicContact CB-CE 3.72Å; F49-M135 HydrophobicContact CD1-CB 4.23Å; F49-M135 HydrophobicContact CD1-CE 4.27Å; F49-M135 HydrophobicContact CD1-CG 3.96Å; F49-M135 HydrophobicContact CD2-CE 4.04Å; F49-M135 HydrophobicContact CE1-CB 4.08Å; F49-M135 HydrophobicContact CE1-CG 4.26Å; F49-M135 HydrophobicContact CG-CE 3.75Å; F49-M135 HydrophobicContact CG-CG 4.4Å; F49-M135 HydrophobicContact CZ-CB 4.39Å; F49-M135 WeakPolarHBondContact CZ-O 3.29Å; F49-H138 HydrophobicContact CE1-CB 3.83Å; F49-H138 HydrophobicContact CZ-CB 4.05Å; F49-V139 HydrophobicContact CE2-CG2 3.83Å; F49-V139 HydrophobicContact CZ-CG2 3.87Å
50V97.1Very high96Very high17 Ų1762.8 Ų62.810%0.10333%0.325CS..EExtended strand (participates in β ladder)trans-107.5128.1166.8177.70000108.3T47 M72 L78 A82 I83 L84T47-V50 HydrophobicContact CG2-CG2 3.85Å; V50-M72 HydrophobicContact CG1-CE 3.53Å; V50-M72 HydrophobicContact CG1-SD 3.93Å; V50-L78 HydrophobicContact CG2-CD1 4.14Å; V50-L78 HydrophobicContact CG2-CD2 3.91Å; V50-A82 PolarHBondContact N-O 3.14Å; V50-I83 HydrophobicContact CB-CD1 3.75Å; V50-I83 HydrophobicContact CG2-CD1 4.02Å; V50-I83 WeakPolarHBondContact O-CA 3.11Å; V50-L84 PolarHBondContact O-N 3.08Å
51I97.7Very high96.1Very high51 Ų5167.6 Ų67.626%0.26234%0.343SS..EExtended strand (participates in β ladder)trans-105.4115.3172.1-55.4-179.3000108.6M27 V53 L84 F86 M135M27-I51 HydrophobicContact CE-CD1 3.45Å; M27-I51 VanDerWaalsContact CE-CD1 3.45Å; I51-V53 HydrophobicContact CG2-CG2 4.03Å; I51-L84 CarbonylContact C-O 3.53Å; I51-L84 VanDerWaalsContact CA-O 3.28Å; I51-L84 WeakPolarHBondContact CA-O 3.49Å; I51-L84 HydrophobicContact CD1-CD2 4.49Å; I51-L84 HydrophobicContact CG1-CB 4.33Å; I51-L84 HydrophobicContact CG1-CD2 4.43Å; I51-F86 HydrophobicContact CG2-CD2 3.56Å; I51-F86 HydrophobicContact CG2-CE2 3.9Å; I51-M135 HydrophobicContact CD1-CE 4.03Å; I51-M135 HydrophobicContact CD1-SD 3.72Å; I51-M135 HydrophobicContact CG1-CE 4.41Å; I51-M135 HydrophobicContact CG1-SD 4.14Å
52L97.1Very high96.2Very high27 Ų2764.1 Ų64.114%0.14132%0.324CS..EExtended strand (participates in β ladder)trans-98.5114.4170.7179.967.9000109.3I54 I65 F69 L84 I85 F86 L105L52-I54 HydrophobicContact CD2-CD1 3.94Å; L52-I54 HydrophobicContact CD2-CG1 4.12Å; L52-I54 HydrophobicContact CG-CD1 4.36Å; L52-I54 HydrophobicContact CG-CG1 4.04Å; L52-I65 HydrophobicContact CD1-CG2 4.37Å; L52-I65 HydrophobicContact CD2-CG2 4.1Å; L52-F69 HydrophobicContact CB-CE2 4.42Å; L52-F69 HydrophobicContact CD2-CB 4.28Å; L52-F69 HydrophobicContact CD2-CD1 4.3Å; L52-F69 HydrophobicContact CD2-CD2 3.69Å; L52-F69 HydrophobicContact CD2-CE2 3.99Å; L52-F69 HydrophobicContact CD2-CG 3.85Å; L52-F69 HydrophobicContact CD2-CZ 4.39Å; L52-L84 PolarHBondContact N-O 3.47Å; L52-I85 HydrophobicContact CB-CG1 4.39Å; L52-I85 CarbonylContact O-C 3.51Å; L52-I85 WeakPolarHBondContact O-CA 3.5Å; L52-F86 PolarHBondContact O-N 3.44Å; L52-L105 HydrophobicContact CD2-CD1 4.32Å
53V97.4Very high96.3Very high84 Ų8462 Ų6251%0.50932%0.322SS..EExtended strand (participates in β ladder)trans-97120.5175.7-171.30000109.7I51 F86 N88I51-V53 HydrophobicContact CG2-CG2 4.03Å; V53-F86 HydrophobicContact CG1-CB 4.32Å; V53-F86 HydrophobicContact CG2-CB 4.38Å; V53-F86 HydrophobicContact CG2-CD2 4.33Å; V53-N88 HydrophobicContact CG1-CB 3.78Å
54I97.6Very high96.4Very high0 Ų062.2 Ų62.20%033%0.33CS..EExtended strand (participates in β ladder)trans-109.5128.7-178.1-63.2172.5000109L52 S56 L62 I65 I85 F86 N88 I101 L105L52-I54 HydrophobicContact CD2-CD1 3.94Å; L52-I54 HydrophobicContact CD2-CG1 4.12Å; L52-I54 HydrophobicContact CG-CD1 4.36Å; L52-I54 HydrophobicContact CG-CG1 4.04Å; I54-S56 PolarHBondContact O-N 2.93Å; I54-S56 VanDerWaalsContact O-N 3.17Å; I54-L62 HydrophobicContact CD1-CD1 4.32Å; I54-L62 HydrophobicContact CG2-CD1 3.66Å; I54-I65 HydrophobicContact CG1-CG2 4.4Å; I54-I85 HydrophobicContact CD1-CG2 3.51Å; I54-I85 HydrophobicContact CG1-CG2 4.21Å; I54-F86 PolarHBondContact N-O 3.15Å; I54-N88 WeakPolarHBondContact O-CA 3.45Å; I54-N88 VanDerWaalsContact O-CB 3.32Å; I54-N88 WeakPolarHBondContact O-CB 3.17Å; I54-N88 PolarHBondContact O-N 3.26Å; I54-I101 HydrophobicContact CD1-CG2 3.54Å; I54-I101 HydrophobicContact CG2-CD1 4.14Å; I54-L105 HydrophobicContact CD1-CD1 3.47Å; I54-L105 VanDerWaalsContact CD1-CD1 3.47Å
55D97.6Very high96.4Very high31 Ų3163.2 Ų63.217%0.16634%0.337CS..EExtended strand (participates in β ladder)trans-70.4103.3163.9-173.9-18.1000109.2S57 D58 K89D55-S57 PolarHBondContact O-N 2.96Å; D55-S57 WeakPolarHBondContact OD1-CB 3.25Å; D55-S57 PolarHBondContact OD1-N 3.37Å; D55-S57 PolarHBondContact OD1-OG 3.02Å; D55-D58 HydrophobicContact CB-CB 4.19Å; D55-D58 PolarHBondContact O-N 2.88Å; D55-K89 VanDerWaalsContact CG-CE 3.49Å; D55-K89 WeakPolarHBondContact OD1-CD 3.26Å; D55-K89 IonicContact OD1-NZ 3.81Å; D55-K89 VanDerWaalsContact OD2-CE 3.24Å; D55-K89 WeakPolarHBondContact OD2-CE 3.42Å; D55-K89 IonicContact OD2-NZ 3.99Å; D55-K89 PolarHBondContact OD2-NZ 2.75Å
56S98.6Very high96.5Very high0 Ų062.6 Ų62.60%033%0.327CS..THydrogen-bonded Turntrans-70.6-15.6-176.1-51.30000112.8I54 D58 A87 N88 Q90 S95 M96 I101I54-S56 PolarHBondContact O-N 2.93Å; I54-S56 VanDerWaalsContact O-N 3.17Å; S56-D58 VanDerWaalsContact C-N 3.35Å; S56-A87 WeakPolarHBondContact OG-CA 3.44Å; S56-N88 WeakPolarHBondContact CB-O 3.29Å; S56-N88 PolarHBondContact N-O 3.3Å; S56-N88 PolarHBondContact OG-N 2.94Å; S56-N88 PolarHBondContact OG-O 3.46Å; S56-Q90 VanDerWaalsContact CB-NE2 3.27Å; S56-Q90 PolarHBondContact OG-NE2 3.33Å; S56-S95 CarbonylContact O-C 3.57Å; S56-S95 WeakPolarHBondContact O-CA 3.41Å; S56-M96 WeakPolarHBondContact CB-O 3.48Å; S56-M96 WeakPolarHBondContact O-CE 3.46Å; S56-M96 PolarHBondContact O-N 3.19Å; S56-I101 WeakPolarHBondContact OG-CD1 3.38Å
57S97.8Very high96.6Very high47 Ų4762.5 Ų62.533%0.32932%0.319SS..THydrogen-bonded Turntrans-80.2-19176.272.90000112.8D55 K59 S95D55-S57 PolarHBondContact O-N 2.96Å; D55-S57 WeakPolarHBondContact OD1-CB 3.25Å; D55-S57 PolarHBondContact OD1-N 3.37Å; D55-S57 PolarHBondContact OD1-OG 3.02Å; S57-K59 PolarHBondContact O-N 2.92Å; S57-S95 PolarHBondContact N-OG 3.32Å
58D96.9Very high96.6Very high38 Ų3862.2 Ų62.220%0.20332%0.315CS..  trans-100.487.9-175.7-163.3-43.2000112.1D55 S56 E60 R61D55-D58 HydrophobicContact CB-CB 4.19Å; D55-D58 PolarHBondContact O-N 2.88Å; S56-D58 VanDerWaalsContact C-N 3.35Å; D58-E60 VanDerWaalsContact C-N 3.34Å; D58-E60 PolarHBondContact OD1-N 3.2Å; D58-R61 VanDerWaalsContact CG-NE 3.29Å; D58-R61 WeakPolarHBondContact OD1-CB 3.45Å; D58-R61 PolarHBondContact OD1-N 3.2Å; D58-R61 IonicContact OD1-NE 3.43Å; D58-R61 IonicContact OD2-CZ 2.95Å; D58-R61 IonicContact OD2-NE 2.71Å; D58-R61 PolarHBondContact OD2-NE 3.24Å; D58-R61 IonicContact OD2-NH2 2.71Å; D58-R61 PolarHBondContact OD2-NH2 2.64Å
59K96.3Very high96.6Very high109 Ų10956.1 Ų56.147%0.47429%0.286SS..  trans-71.8-31-178.8-53.3-169.9-179.1-176.40112.3S57 R61 L62 G94 M96S57-K59 PolarHBondContact O-N 2.92Å; K59-R61 PolarHBondContact O-N 3.41Å; K59-L62 PolarHBondContact O-N 3.39Å; K59-G94 WeakPolarHBondContact CE-O 3.4Å; K59-G94 PolarHBondContact NZ-O 2.92Å; K59-M96 HydrophobicContact CB-CE 4.43Å; K59-M96 HydrophobicContact CB-SD 4.26Å; K59-M96 HydrophobicContact CD-CG 4.13Å; K59-M96 HydrophobicContact CD-SD 4.43Å; K59-M96 HydrophobicContact CG-CE 4.05Å; K59-M96 HydrophobicContact CG-CG 3.88Å; K59-M96 HydrophobicContact CG-SD 3.81Å
60E96.1Very high96.5Very high182 Ų18257.8 Ų57.885%0.8529%0.292SS*.THydrogen-bonded Turntrans-68.8-37.7-173.1-62.6-173.9171.100111.7D58 L62D58-E60 VanDerWaalsContact C-N 3.34Å; D58-E60 PolarHBondContact OD1-N 3.2Å; E60-L62 VanDerWaalsContact C-N 3.31Å; E60-L62 PolarHBondContact O-N 3.06Å
61R95.5Very high96.4Very high138 Ų13863.5 Ų63.552%0.52132%0.316SS..THydrogen-bonded Turntrans-78.8-9.2-178.8-73.1-170-73169.9-1.2114.6D58 K59 G63 T64 I65D58-R61 VanDerWaalsContact CG-NE 3.29Å; D58-R61 WeakPolarHBondContact OD1-CB 3.45Å; D58-R61 PolarHBondContact OD1-N 3.2Å; D58-R61 IonicContact OD1-NE 3.43Å; D58-R61 IonicContact OD2-CZ 2.95Å; D58-R61 IonicContact OD2-NE 2.71Å; D58-R61 PolarHBondContact OD2-NE 3.24Å; D58-R61 IonicContact OD2-NH2 2.71Å; D58-R61 PolarHBondContact OD2-NH2 2.64Å; K59-R61 PolarHBondContact O-N 3.41Å; R61-G63 VanDerWaalsContact C-N 3.26Å; R61-G63 PolarHBondContact O-N 3.25Å; R61-T64 PolarHBondContact O-N 2.79Å; R61-T64 VanDerWaalsContact O-N 3.08Å; R61-I65 HydrophobicContact CB-CD1 4.43Å; R61-I65 WeakPolarHBondContact O-CG1 3.42Å; R61-I65 PolarHBondContact O-N 2.87Å
62L95.8Very high96.3Very high2 Ų261.8 Ų61.81%0.0131%0.307CS..Hα-helixtrans-64.1-30.9-173-154.572.2000113.1I54 K59 E60 I65 K66 M96 Q104 L105I54-L62 HydrophobicContact CD1-CD1 4.32Å; I54-L62 HydrophobicContact CG2-CD1 3.66Å; K59-L62 PolarHBondContact O-N 3.39Å; E60-L62 VanDerWaalsContact C-N 3.31Å; E60-L62 PolarHBondContact O-N 3.06Å; L62-I65 HydrophobicContact CD1-CD1 4.28Å; L62-I65 PolarHBondContact O-N 2.94Å; L62-K66 WeakPolarHBondContact O-CB 3.37Å; L62-K66 PolarHBondContact O-N 2.99Å; L62-M96 HydrophobicContact CD1-CE 4.25Å; L62-M96 HydrophobicContact CD2-CE 4.15Å; L62-M96 HydrophobicContact CD2-SD 3.93Å; L62-Q104 HydrophobicContact CD2-CB 3.46Å; L62-Q104 VanDerWaalsContact CD2-CB 3.46Å; L62-Q104 HydrophobicContact CD2-CG 4.14Å; L62-Q104 VanDerWaalsContact CD2-OE1 3.29Å; L62-L105 HydrophobicContact CD1-CD2 4.22Å; L62-L105 HydrophobicContact CG-CD2 4.02Å
63G95.6Very high96.2Very high53 Ų5361 Ų6155%0.54630%0.303SS..Hα-helixtrans-62.8-43.9173.200000113R61 K66 K67R61-G63 VanDerWaalsContact C-N 3.26Å; R61-G63 PolarHBondContact O-N 3.25Å; G63-K66 WeakPolarHBondContact O-CB 3.47Å; G63-K66 PolarHBondContact O-N 3.31Å; G63-K67 PolarHBondContact O-N 2.82Å
64T94.4Very high96Very high68 Ų6860.3 Ų60.342%0.41731%0.306SS..Hα-helixtrans-66.2-44.4175.2-580000111.1R61 K66 K67 E68R61-T64 PolarHBondContact O-N 2.79Å; R61-T64 VanDerWaalsContact O-N 3.08Å; T64-K66 VanDerWaalsContact C-N 3.3Å; T64-K66 PolarHBondContact O-N 3.33Å; T64-K67 PolarHBondContact O-N 3.25Å; T64-K67 VanDerWaalsContact O-N 3.16Å; T64-E68 PolarHBondContact O-N 3.06Å; T64-E68 VanDerWaalsContact O-N 3.08Å
65I95.6Very high95.9Very high42 Ų4263.3 Ų63.322%0.21532%0.32CS..Hα-helixtrans-56.8-46.3176.3-68.2167.7000110.2L52 I54 R61 L62 K67 E68 F69 L105L52-I65 HydrophobicContact CD1-CG2 4.37Å; L52-I65 HydrophobicContact CD2-CG2 4.1Å; I54-I65 HydrophobicContact CG1-CG2 4.4Å; R61-I65 HydrophobicContact CB-CD1 4.43Å; R61-I65 WeakPolarHBondContact O-CG1 3.42Å; R61-I65 PolarHBondContact O-N 2.87Å; L62-I65 HydrophobicContact CD1-CD1 4.28Å; L62-I65 PolarHBondContact O-N 2.94Å; I65-K67 PolarHBondContact O-N 3.25Å; I65-E68 PolarHBondContact O-N 3.46Å; I65-F69 WeakPolarHBondContact O-CB 3.34Å; I65-F69 PolarHBondContact O-N 2.94Å; I65-L105 HydrophobicContact CG2-CD2 4.42Å
66K97.2Very high95.8Very high70 Ų7068.3 Ų68.330%0.30435%0.347SS..Hα-helixtrans-55.8-50176.5-172179.9-173.7165.30111.5L62 G63 T64 E68 F69 Y70 Q104 L105L62-K66 WeakPolarHBondContact O-CB 3.37Å; L62-K66 PolarHBondContact O-N 2.99Å; G63-K66 WeakPolarHBondContact O-CB 3.47Å; G63-K66 PolarHBondContact O-N 3.31Å; T64-K66 VanDerWaalsContact C-N 3.3Å; T64-K66 PolarHBondContact O-N 3.33Å; K66-E68 PolarHBondContact O-N 3.26Å; K66-F69 PolarHBondContact O-N 3.48Å; K66-Y70 HydrophobicContact CG-CD2 3.88Å; K66-Y70 HydrophobicContact CG-CE2 3.88Å; K66-Y70 VanDerWaalsContact O-CD2 3.29Å; K66-Y70 WeakPolarHBondContact O-CD2 3.15Å; K66-Y70 PolarHBondContact O-N 3.06Å; K66-Q104 WeakPolarHBondContact CD-O 3.5Å; K66-Q104 WeakPolarHBondContact CE-O 3.38Å; K66-Q104 PolarHBondContact NZ-O 2.71Å; K66-L105 HydrophobicContact CB-CD2 3.65Å; K66-L105 WeakPolarHBondContact CE-O 3.45Å; K66-L105 HydrophobicContact CG-CD2 4.15Å
67K95.9Very high95.7Very high154 Ų15471.6 Ų71.667%0.6736%0.364SS*.Hα-helixtrans-58.2-50.1-178.5-176.2-175.5174.3-172.40111.8G63 T64 I65 K71G63-K67 PolarHBondContact O-N 2.82Å; T64-K67 PolarHBondContact O-N 3.25Å; T64-K67 VanDerWaalsContact O-N 3.16Å; I65-K67 PolarHBondContact O-N 3.25Å; K67-K71 WeakPolarHBondContact O-CB 3.32Å; K67-K71 PolarHBondContact O-N 3.4Å; K67-K71 VanDerWaalsContact O-N 3.1Å
68E95.1Very high95.6Very high30 Ų3069.4 Ų69.414%0.1435%0.348CS..Hα-helixtrans-68.8-36.5-179-62.1-55.3135.600111.9W40 T64 I65 K66 K71 M72W40-E68 HydrophobicContact CZ3-CB 4.11Å; T64-E68 PolarHBondContact O-N 3.06Å; T64-E68 VanDerWaalsContact O-N 3.08Å; I65-E68 PolarHBondContact O-N 3.46Å; K66-E68 PolarHBondContact O-N 3.26Å; E68-K71 PolarHBondContact O-N 2.87Å; E68-M72 WeakPolarHBondContact O-CB 3.24Å; E68-M72 PolarHBondContact O-N 2.88Å
69F95.7Very high95.4Very high3 Ų371.1 Ų71.11%0.01336%0.355CS..Hα-helixtrans-60.8-50176.4179.1-127.8000112.1L52 I65 K66 K71 M72 L73 I83 L107 I110L52-F69 HydrophobicContact CB-CE2 4.42Å; L52-F69 HydrophobicContact CD2-CB 4.28Å; L52-F69 HydrophobicContact CD2-CD1 4.3Å; L52-F69 HydrophobicContact CD2-CD2 3.69Å; L52-F69 HydrophobicContact CD2-CE2 3.99Å; L52-F69 HydrophobicContact CD2-CG 3.85Å; L52-F69 HydrophobicContact CD2-CZ 4.39Å; I65-F69 WeakPolarHBondContact O-CB 3.34Å; I65-F69 PolarHBondContact O-N 2.94Å; K66-F69 PolarHBondContact O-N 3.48Å; F69-K71 VanDerWaalsContact C-N 3.34Å; F69-K71 PolarHBondContact O-N 2.78Å; F69-M72 HydrophobicContact CD2-CE 3.59Å; F69-M72 HydrophobicContact CE2-CE 4.01Å; F69-M72 WeakPolarHBondContact O-CB 3.47Å; F69-M72 PolarHBondContact O-N 2.79Å; F69-L73 HydrophobicContact CD1-CD1 4.15Å; F69-L73 HydrophobicContact CD2-CD1 4.37Å; F69-L73 HydrophobicContact CD2-CG 4.19Å; F69-L73 HydrophobicContact CE1-CD1 3.68Å; F69-L73 HydrophobicContact CE1-CG 4.49Å; F69-L73 HydrophobicContact CE2-CD1 3.91Å; F69-L73 HydrophobicContact CE2-CD2 3.96Å; F69-L73 HydrophobicContact CE2-CG 3.9Å; F69-L73 HydrophobicContact CG-CD1 4.49Å; F69-L73 HydrophobicContact CZ-CD1 3.55Å; F69-L73 HydrophobicContact CZ-CD2 4.27Å; F69-L73 HydrophobicContact CZ-CG 4.09Å; F69-L73 WeakPolarHBondContact O-CG 3.13Å; F69-L73 PolarHBondContact O-N 2.84Å; F69-I83 HydrophobicContact CE2-CG2 3.68Å; F69-I83 HydrophobicContact CZ-CG2 3.66Å; F69-L107 HydrophobicContact CE1-CD2 3.76Å; F69-L107 HydrophobicContact CZ-CD2 4.49Å; F69-I110 HydrophobicContact CE1-CD1 3.75Å; F69-I110 HydrophobicContact CZ-CD1 4.12Å
70Y96.4Very high95.3Very high67 Ų6775.9 Ų75.926%0.26338%0.376SS..Hα-helixtrans-69.7-31.4178.6-81.4-94.8000112.8K66 M72 L73 A74 L105 N106 S109 I110K66-Y70 HydrophobicContact CG-CD2 3.88Å; K66-Y70 HydrophobicContact CG-CE2 3.88Å; K66-Y70 VanDerWaalsContact O-CD2 3.29Å; K66-Y70 WeakPolarHBondContact O-CD2 3.15Å; K66-Y70 PolarHBondContact O-N 3.06Å; Y70-M72 VanDerWaalsContact C-N 3.33Å; Y70-L73 PolarHBondContact O-N 3.45Å; Y70-A74 WeakPolarHBondContact O-CB 3.17Å; Y70-A74 PolarHBondContact O-N 3.24Å; Y70-A74 VanDerWaalsContact O-N 3.09Å; Y70-L105 WeakPolarHBondContact CE2-O 3.48Å; Y70-L105 PolarHBondContact OH-O 2.85Å; Y70-N106 PolarHBondContact OH-O 3.31Å; Y70-S109 PolarHBondContact OH-OG 2.89Å; Y70-I110 HydrophobicContact CE1-CG1 4.05Å
71K94.8Very high95.3Very high138 Ų13867.3 Ų67.360%0.634%0.336SS*.Hα-helixtrans-60.8-44.2171.6-178.2-174.4173.4-167.50111.1K67 E68 F69K67-K71 WeakPolarHBondContact O-CB 3.32Å; K67-K71 PolarHBondContact O-N 3.4Å; K67-K71 VanDerWaalsContact O-N 3.1Å; E68-K71 PolarHBondContact O-N 2.87Å; F69-K71 VanDerWaalsContact C-N 3.34Å; F69-K71 PolarHBondContact O-N 2.78Å
72M94.7Very high95.4Very high15 Ų1561.1 Ų61.17%0.07432%0.315CS..Hα-helixtrans-64-49.4174.9170.1178.469.800111.6Y44 V50 E68 F69 Y70 A74 H75 L78Y44-M72 HydrophobicContact CE1-CG 3.96Å; Y44-M72 HydrophobicContact CE1-SD 4.02Å; Y44-M72 HydrophobicContact CE2-CG 4.06Å; Y44-M72 WeakPolarHBondContact OH-CB 3.46Å; Y44-M72 VanDerWaalsContact OH-CG 3.24Å; Y44-M72 WeakPolarHBondContact OH-CG 3.48Å; V50-M72 HydrophobicContact CG1-CE 3.53Å; V50-M72 HydrophobicContact CG1-SD 3.93Å; E68-M72 WeakPolarHBondContact O-CB 3.24Å; E68-M72 PolarHBondContact O-N 2.88Å; F69-M72 HydrophobicContact CD2-CE 3.59Å; F69-M72 HydrophobicContact CE2-CE 4.01Å; F69-M72 WeakPolarHBondContact O-CB 3.47Å; F69-M72 PolarHBondContact O-N 2.79Å; Y70-M72 VanDerWaalsContact C-N 3.33Å; M72-A74 PolarHBondContact O-N 3.08Å; M72-A74 VanDerWaalsContact O-N 3.14Å; M72-H75 VanDerWaalsContact O-CB 3.25Å; M72-H75 WeakPolarHBondContact O-CB 3.31Å; M72-H75 PolarHBondContact O-N 3.17Å; M72-L78 HydrophobicContact CG-CD1 3.28Å; M72-L78 HydrophobicContact SD-CD1 4.13Å
73L94.5Very high95.5Very high10 Ų1061 Ų615%0.05231%0.314CS..Hα-helixtrans-61.5-23.3-179.2-69.6-175.4000114.2F69 Y70 H75 Q79 I83 I110 Q113F69-L73 HydrophobicContact CD1-CD1 4.15Å; F69-L73 HydrophobicContact CD2-CD1 4.37Å; F69-L73 HydrophobicContact CD2-CG 4.19Å; F69-L73 HydrophobicContact CE1-CD1 3.68Å; F69-L73 HydrophobicContact CE1-CG 4.49Å; F69-L73 HydrophobicContact CE2-CD1 3.91Å; F69-L73 HydrophobicContact CE2-CD2 3.96Å; F69-L73 HydrophobicContact CE2-CG 3.9Å; F69-L73 HydrophobicContact CG-CD1 4.49Å; F69-L73 HydrophobicContact CZ-CD1 3.55Å; F69-L73 HydrophobicContact CZ-CD2 4.27Å; F69-L73 HydrophobicContact CZ-CG 4.09Å; F69-L73 WeakPolarHBondContact O-CG 3.13Å; F69-L73 PolarHBondContact O-N 2.84Å; Y70-L73 PolarHBondContact O-N 3.45Å; L73-H75 VanDerWaalsContact C-N 3.26Å; L73-Q79 PolarHBondContact O-NE2 3.16Å; L73-I83 HydrophobicContact CD2-CD1 3.4Å; L73-I83 HydrophobicContact CD2-CG1 3.73Å; L73-I110 HydrophobicContact CD1-CD1 3.65Å; L73-I110 HydrophobicContact CD1-CG1 4.11Å; L73-Q113 PolarHBondContact O-NE2 2.75Å
74A94.5Very high95.6Very high69 Ų6958.5 Ų58.557%0.5729%0.288SS*.THydrogen-bonded Turntrans-76.3-11.4175.900000113.3Y70 M72Y70-A74 WeakPolarHBondContact O-CB 3.17Å; Y70-A74 PolarHBondContact O-N 3.24Å; Y70-A74 VanDerWaalsContact O-N 3.09Å; M72-A74 PolarHBondContact O-N 3.08Å; M72-A74 VanDerWaalsContact O-N 3.14Å
75H96Very high95.8Very high63 Ų6355.3 Ų55.329%0.29227%0.268SS..SBendtrans-71138.3-179.7-159.5-82.9000111.5Y44 M72 L73 D77 L78 Q79Y44-H75 HydrophobicContact CD2-CB 3.84Å; Y44-H75 AromaticContact CD2-CD2 3.97Å; Y44-H75 AromaticContact CD2-CG 3.59Å; Y44-H75 AromaticContact CD2-ND1 3.76Å; Y44-H75 HydrophobicContact CE2-CB 4.01Å; M72-H75 VanDerWaalsContact O-CB 3.25Å; M72-H75 WeakPolarHBondContact O-CB 3.31Å; M72-H75 PolarHBondContact O-N 3.17Å; L73-H75 VanDerWaalsContact C-N 3.26Å; H75-D77 VanDerWaalsContact C-N 3.32Å; H75-D77 IonicContact CE1-OD2 3.26Å; H75-D77 PolarHBondContact CE1-OD2 2.9Å; H75-D77 VanDerWaalsContact CE1-OD2 3.26Å; H75-D77 PolarHBondContact ND1-N 3.43Å; H75-D77 IonicContact ND1-OD2 3.62Å; H75-D77 PolarHBondContact O-N 3.43Å; H75-L78 PolarHBondContact O-N 3.23Å; H75-Q79 PolarHBondContact O-NE2 3.38Å
76D95Very high96Very high137 Ų13754 Ų5473%0.73326%0.261SS*.G310 helixtrans-61-39.7-174.1-71.7-23.3000112.8L78 Q79D76-L78 PolarHBondContact O-N 3.08Å; D76-L78 VanDerWaalsContact O-N 3.12Å; D76-Q79 WeakPolarHBondContact O-CB 3.48Å; D76-Q79 WeakPolarHBondContact O-CG 3.33Å; D76-Q79 PolarHBondContact O-N 3.42Å
77D96.2Very high96Very high69 Ų6950.7 Ų50.737%0.36925%0.247SC..G310 helixtrans-59.8-22.8177.1-72.8-37.5000114T45 H75T45-D77 PolarHBondContact OG1-OD2 3.4Å; H75-D77 VanDerWaalsContact C-N 3.32Å; H75-D77 IonicContact CE1-OD2 3.26Å; H75-D77 PolarHBondContact CE1-OD2 2.9Å; H75-D77 VanDerWaalsContact CE1-OD2 3.26Å; H75-D77 PolarHBondContact ND1-N 3.43Å; H75-D77 IonicContact ND1-OD2 3.62Å; H75-D77 PolarHBondContact O-N 3.43Å
78L95.9Very high96.2Very high0 Ų044.4 Ų44.40%022%0.221CC..G310 helixtrans-102.33.5-177.2-61.8-177.1000113.9Y44 T47 V50 M72 H75 D76 K80 S81Y44-L78 HydrophobicContact CD1-CD1 3.79Å; Y44-L78 HydrophobicContact CD1-CD2 4.22Å; Y44-L78 HydrophobicContact CD1-CG 4.25Å; Y44-L78 HydrophobicContact CD2-CD1 3.76Å; Y44-L78 HydrophobicContact CD2-CG 4.01Å; Y44-L78 HydrophobicContact CE1-CD1 3.95Å; Y44-L78 HydrophobicContact CE2-CD1 3.93Å; Y44-L78 HydrophobicContact CG-CD1 3.71Å; Y44-L78 HydrophobicContact CG-CD2 4.03Å; Y44-L78 HydrophobicContact CG-CG 3.81Å; T47-L78 HydrophobicContact CG2-CD2 3.87Å; V50-L78 HydrophobicContact CG2-CD1 4.14Å; V50-L78 HydrophobicContact CG2-CD2 3.91Å; M72-L78 HydrophobicContact CG-CD1 3.28Å; M72-L78 HydrophobicContact SD-CD1 4.13Å; H75-L78 PolarHBondContact O-N 3.23Å; D76-L78 PolarHBondContact O-N 3.08Å; D76-L78 VanDerWaalsContact O-N 3.12Å; L78-K80 PolarHBondContact O-N 2.84Å; L78-K80 VanDerWaalsContact O-N 3.16Å; L78-S81 WeakPolarHBondContact CA-OG 3.25Å; L78-S81 WeakPolarHBondContact CD2-OG 3.29Å; L78-S81 PolarHBondContact O-N 2.97Å; L78-S81 VanDerWaalsContact O-N 3.17Å
79Q93.3Very high96.3Very high75 Ų7546.6 Ų46.635%0.3523%0.23SC..THydrogen-bonded Turntrans-62.6-25.5-177.5-67.8-60.7-4000113.2L73 H75 D76L73-Q79 PolarHBondContact O-NE2 3.16Å; H75-Q79 PolarHBondContact O-NE2 3.38Å; D76-Q79 WeakPolarHBondContact O-CB 3.48Å; D76-Q79 WeakPolarHBondContact O-CG 3.33Å; D76-Q79 PolarHBondContact O-N 3.42Å
80K92.5Very high96.4Very high208 Ų20849.7 Ų49.790%0.90424%0.244SC*.THydrogen-bonded Turntrans-100.8-8.5179.7-65179.6-176.7170.80113.5L78L78-K80 PolarHBondContact O-N 2.84Å; L78-K80 VanDerWaalsContact O-N 3.16Å
81S96.3Very high96.5Very high2 Ų250.8 Ų50.81%0.01426%0.255CS..  trans-73.2143-176.4-44.90000110.7T47 E48 L78 Q113T47-S81 WeakPolarHBondContact O-CB 3.39Å; T47-S81 PolarHBondContact O-OG 3.26Å; E48-S81 CarbonylContact O-C 3.59Å; E48-S81 VanDerWaalsContact O-CA 3.25Å; E48-S81 WeakPolarHBondContact O-CA 3.36Å; L78-S81 WeakPolarHBondContact CA-OG 3.25Å; L78-S81 WeakPolarHBondContact CD2-OG 3.29Å; L78-S81 PolarHBondContact O-N 2.97Å; L78-S81 VanDerWaalsContact O-N 3.17Å; S81-Q113 WeakPolarHBondContact O-CB 3.33Å; S81-Q113 WeakPolarHBondContact O-CG 3.31Å
82A97.2Very high96.6Very high9 Ų947.5 Ų47.57%0.07424%0.243CC..EExtended strand (participates in β ladder)trans-8914717000000110.2E48 F49 V50 W134E48-A82 PolarHBondContact O-N 3.28Å; F49-A82 CarbonylContact C-O 3.57Å; F49-A82 VanDerWaalsContact CA-O 3.25Å; F49-A82 WeakPolarHBondContact CA-O 3.47Å; F49-A82 HydrophobicContact CD1-CB 3.73Å; F49-A82 HydrophobicContact CE1-CB 3.8Å; V50-A82 PolarHBondContact N-O 3.14Å; A82-W134 HydrophobicContact CB-CH2 3.88Å; A82-W134 HydrophobicContact CB-CZ3 4.38Å
83I98Very high96.7Very high0 Ų056.9 Ų56.90%028%0.283CS..EExtended strand (participates in β ladder)trans-115.7116.1-170-43.4-62000111.3V50 F69 L73 I85 Q113 R114 W115 Q116 W134V50-I83 HydrophobicContact CB-CD1 3.75Å; V50-I83 HydrophobicContact CG2-CD1 4.02Å; V50-I83 WeakPolarHBondContact O-CA 3.11Å; F69-I83 HydrophobicContact CE2-CG2 3.68Å; F69-I83 HydrophobicContact CZ-CG2 3.66Å; L73-I83 HydrophobicContact CD2-CD1 3.4Å; L73-I83 HydrophobicContact CD2-CG1 3.73Å; I83-I85 HydrophobicContact CG2-CD1 3.94Å; I83-I85 HydrophobicContact CG2-CG1 4.45Å; I83-Q113 HydrophobicContact CG1-CB 3.97Å; I83-Q113 HydrophobicContact CG1-CG 4.38Å; I83-R114 PolarHBondContact N-O 3.1Å; I83-W115 HydrophobicContact CB-CB 4.01Å; I83-W115 CarbonylContact O-C 3.58Å; I83-W115 WeakPolarHBondContact O-CA 3.38Å; I83-W115 WeakPolarHBondContact O-CB 3.36Å; I83-Q116 PolarHBondContact O-N 2.99Å; I83-W134 VanDerWaalsContact O-CH2 3.31Å; I83-W134 WeakPolarHBondContact O-CH2 3.13Å
84L98.4Very high96.8Very high0 Ų059 Ų590%031%0.307CS..EExtended strand (participates in β ladder)trans-100.8127.2170.8178.762000109.4V50 I51 L52 F86 Q116 Q118 W134 M135V50-L84 PolarHBondContact O-N 3.08Å; I51-L84 CarbonylContact C-O 3.53Å; I51-L84 VanDerWaalsContact CA-O 3.28Å; I51-L84 WeakPolarHBondContact CA-O 3.49Å; I51-L84 HydrophobicContact CD1-CD2 4.49Å; I51-L84 HydrophobicContact CG1-CB 4.33Å; I51-L84 HydrophobicContact CG1-CD2 4.43Å; L52-L84 PolarHBondContact N-O 3.47Å; L84-F86 HydrophobicContact CD2-CD2 4.38Å; L84-F86 HydrophobicContact CD2-CE1 4.25Å; L84-F86 HydrophobicContact CD2-CE2 3.73Å; L84-F86 HydrophobicContact CD2-CZ 3.66Å; L84-F86 HydrophobicContact CG-CE2 4.42Å; L84-F86 HydrophobicContact CG-CZ 4.46Å; L84-Q116 HydrophobicContact CD1-CB 4.38Å; L84-Q116 HydrophobicContact CD1-CG 4.49Å; L84-Q118 HydrophobicContact CD1-CB 4.38Å; L84-W134 HydrophobicContact CB-CE3 4.11Å; L84-W134 HydrophobicContact CB-CZ3 3.83Å; L84-W134 HydrophobicContact CD1-CE3 4.09Å; L84-M135 HydrophobicContact CD2-CG 4.01Å; L84-M135 HydrophobicContact CD2-SD 3.69Å
85I98.7Very high97Very high0 Ų056.6 Ų56.60%029%0.286CS..EExtended strand (participates in β ladder)trans-108.5120.6173.8-56.386.9000108.2L52 I54 I83 L107 W115 Q116 I117 Q118L52-I85 HydrophobicContact CB-CG1 4.39Å; L52-I85 CarbonylContact O-C 3.51Å; L52-I85 WeakPolarHBondContact O-CA 3.5Å; I54-I85 HydrophobicContact CD1-CG2 3.51Å; I54-I85 HydrophobicContact CG1-CG2 4.21Å; I83-I85 HydrophobicContact CG2-CD1 3.94Å; I83-I85 HydrophobicContact CG2-CG1 4.45Å; I85-L107 HydrophobicContact CD1-CD1 4.11Å; I85-L107 HydrophobicContact CD1-CD2 4.45Å; I85-L107 HydrophobicContact CG1-CD1 4.42Å; I85-W115 HydrophobicContact CD1-CB 4.28Å; I85-Q116 WeakPolarHBondContact CD1-O 3.31Å; I85-Q116 PolarHBondContact N-O 3.24Å; I85-I117 HydrophobicContact CB-CB 4.15Å; I85-I117 HydrophobicContact CB-CD1 4.36Å; I85-I117 HydrophobicContact CB-CG1 4.03Å; I85-I117 HydrophobicContact CG2-CD1 3.93Å; I85-I117 HydrophobicContact CG2-CG1 4.03Å; I85-I117 CarbonylContact O-C 3.52Å; I85-I117 VanDerWaalsContact O-CA 3.31Å; I85-I117 WeakPolarHBondContact O-CA 3.34Å; I85-Q118 PolarHBondContact O-N 3.02Å
86F98.8Very high97.1Very high15 Ų1553.6 Ų53.67%0.06627%0.273CS..EExtended strand (participates in β ladder)trans-92.9113.7169-82.4-51.9000110I51 L52 V53 I54 L84 N88 Q118 C120 L128I51-F86 HydrophobicContact CG2-CD2 3.56Å; I51-F86 HydrophobicContact CG2-CE2 3.9Å; L52-F86 PolarHBondContact O-N 3.44Å; V53-F86 HydrophobicContact CG1-CB 4.32Å; V53-F86 HydrophobicContact CG2-CB 4.38Å; V53-F86 HydrophobicContact CG2-CD2 4.33Å; I54-F86 PolarHBondContact N-O 3.15Å; L84-F86 HydrophobicContact CD2-CD2 4.38Å; L84-F86 HydrophobicContact CD2-CE1 4.25Å; L84-F86 HydrophobicContact CD2-CE2 3.73Å; L84-F86 HydrophobicContact CD2-CZ 3.66Å; L84-F86 HydrophobicContact CG-CE2 4.42Å; L84-F86 HydrophobicContact CG-CZ 4.46Å; F86-N88 VanDerWaalsContact C-N 3.29Å; F86-N88 PolarHBondContact O-N 3.12Å; F86-N88 VanDerWaalsContact O-N 3.11Å; F86-Q118 WeakPolarHBondContact CA-O 3.11Å; F86-Q118 HydrophobicContact CD1-CB 4.1Å; F86-Q118 HydrophobicContact CD1-CG 4.31Å; F86-Q118 HydrophobicContact CE1-CB 4.16Å; F86-Q118 HydrophobicContact CE1-CG 4.09Å; F86-C120 HydrophobicContact CD1-CB 3.93Å; F86-C120 WeakPolarHBondContact CD1-SG 3.1Å; F86-C120 HydrophobicContact CE1-CB 4.37Å; F86-L128 HydrophobicContact CD1-CD2 4.22Å; F86-L128 HydrophobicContact CE1-CD2 3.91Å; F86-L128 HydrophobicContact CE2-CD2 4.22Å; F86-L128 HydrophobicContact CZ-CD2 3.9Å
87A98.7Very high97.3Very high0 Ų049.1 Ų49.10%025%0.252CS..EExtended strand (participates in β ladder)trans-80.981.416600000108.2S56 Q90 I101 I117 Q118 C120S56-A87 WeakPolarHBondContact OG-CA 3.44Å; A87-Q90 VanDerWaalsContact O-CG 3.31Å; A87-Q90 WeakPolarHBondContact O-CG 3.48Å; A87-Q90 PolarHBondContact O-NE2 2.85Å; A87-I101 HydrophobicContact CB-CD1 3.52Å; A87-I117 HydrophobicContact CB-CD1 4.3Å; A87-I117 HydrophobicContact CB-CG1 4.3Å; A87-Q118 PolarHBondContact N-O 2.65Å; A87-C120 PolarHBondContact O-N 3.17Å
88N98.7Very high97.4Very high22 Ų2247.9 Ų47.912%0.11825%0.248CC..EExtended strand (participates in β ladder)trans-82.6164.8-171.7-170.726.1000112.1V53 I54 S56 F86 C120 A122V53-N88 HydrophobicContact CG1-CB 3.78Å; I54-N88 WeakPolarHBondContact O-CA 3.45Å; I54-N88 VanDerWaalsContact O-CB 3.32Å; I54-N88 WeakPolarHBondContact O-CB 3.17Å; I54-N88 PolarHBondContact O-N 3.26Å; S56-N88 WeakPolarHBondContact CB-O 3.29Å; S56-N88 PolarHBondContact N-O 3.3Å; S56-N88 PolarHBondContact OG-N 2.94Å; S56-N88 PolarHBondContact OG-O 3.46Å; F86-N88 VanDerWaalsContact C-N 3.29Å; F86-N88 PolarHBondContact O-N 3.12Å; F86-N88 VanDerWaalsContact O-N 3.11Å; N88-C120 CarbonylContact C-O 3.58Å; N88-C120 WeakPolarHBondContact CA-O 3.15Å; N88-C120 VanDerWaalsContact CA-SG 3.58Å; N88-A122 PolarHBondContact OD1-N 2.78Å
89K98.3Very high97.5Very high76 Ų7651.1 Ų51.133%0.3328%0.275SS..  trans67.438.4-179.4-45.4-161.9-169175.30114.4D55 D91 I92 S95 C120D55-K89 VanDerWaalsContact CG-CE 3.49Å; D55-K89 WeakPolarHBondContact OD1-CD 3.26Å; D55-K89 IonicContact OD1-NZ 3.81Å; D55-K89 VanDerWaalsContact OD2-CE 3.24Å; D55-K89 WeakPolarHBondContact OD2-CE 3.42Å; D55-K89 IonicContact OD2-NZ 3.99Å; D55-K89 PolarHBondContact OD2-NZ 2.75Å; K89-D91 VanDerWaalsContact CA-OD1 3.29Å; K89-D91 WeakPolarHBondContact CA-OD1 3.43Å; K89-D91 PolarHBondContact O-N 3.11Å; K89-I92 HydrophobicContact CB-CD1 3.95Å; K89-I92 HydrophobicContact CB-CG1 4.29Å; K89-I92 HydrophobicContact CD-CD1 3.88Å; K89-I92 PolarHBondContact O-N 2.83Å; K89-S95 PolarHBondContact O-OG 3.32Å; K89-C120 PolarHBondContact N-O 3.34Å
90Q98.4Very high97.7Very high68 Ų6851.6 Ų51.632%0.31828%0.278SS..THydrogen-bonded Turntrans-69.4-10.6176-64.2-66.6-56.800113.5S56 A87 I92 M96 A119 C120S56-Q90 VanDerWaalsContact CB-NE2 3.27Å; S56-Q90 PolarHBondContact OG-NE2 3.33Å; A87-Q90 VanDerWaalsContact O-CG 3.31Å; A87-Q90 WeakPolarHBondContact O-CG 3.48Å; A87-Q90 PolarHBondContact O-NE2 2.85Å; Q90-I92 VanDerWaalsContact C-N 3.27Å; Q90-M96 PolarHBondContact NE2-O 3.01Å; Q90-A119 HydrophobicContact CG-CB 4.11Å; Q90-C120 WeakPolarHBondContact CG-O 3.37Å; Q90-C120 PolarHBondContact N-O 3.04Å
91D97.3Very high98Very high90 Ų9041.7 Ų41.748%0.48124%0.235SC..THydrogen-bonded Turntrans-70-22170.558.3-65000113.1K89 C121K89-D91 VanDerWaalsContact CA-OD1 3.29Å; K89-D91 WeakPolarHBondContact CA-OD1 3.43Å; K89-D91 PolarHBondContact O-N 3.11Å; D91-C121 VanDerWaalsContact CG-SG 3.59Å; D91-C121 PolarHBondContact OD1-SG 2.84Å
92I97.8Very high98.1Very high69 Ų6942.5 Ų42.535%0.35424%0.24SC..SBendtrans-81.5125.5179.7-59179.3000110.2K89 Q90 G94 S95K89-I92 HydrophobicContact CB-CD1 3.95Å; K89-I92 HydrophobicContact CB-CG1 4.29Å; K89-I92 HydrophobicContact CD-CD1 3.88Å; K89-I92 PolarHBondContact O-N 2.83Å; Q90-I92 VanDerWaalsContact C-N 3.27Å; I92-G94 PolarHBondContact O-N 2.84Å; I92-S95 VanDerWaalsContact O-CB 3.27Å; I92-S95 WeakPolarHBondContact O-CB 3.34Å; I92-S95 PolarHBondContact O-N 2.89Å; I92-S95 PolarHBondContact O-OG 3.46Å; I92-S95 VanDerWaalsContact O-OG 3.1Å
93K96.8Very high98.2Very high213 Ų21349.4 Ų49.493%0.92627%0.271SS*.THydrogen-bonded Turntrans-60.7129.2175.9-174.8178.9179.8-179.50110.8
94G96.8Very high98.1Very high53 Ų5353.3 Ų53.355%0.54629%0.289SS..THydrogen-bonded Turntrans88.11.2179.300000114.6K59 I92K59-G94 WeakPolarHBondContact CE-O 3.4Å; K59-G94 PolarHBondContact NZ-O 2.92Å; I92-G94 PolarHBondContact O-N 2.84Å
95S98Very high98.1Very high20 Ų2053.3 Ų53.314%0.1429%0.289CS..PPolyproline II helixtrans-53.7141.8167.5-79.30000111.6S56 S57 K89 I92S56-S95 CarbonylContact O-C 3.57Å; S56-S95 WeakPolarHBondContact O-CA 3.41Å; S57-S95 PolarHBondContact N-OG 3.32Å; K89-S95 PolarHBondContact O-OG 3.32Å; I92-S95 VanDerWaalsContact O-CB 3.27Å; I92-S95 WeakPolarHBondContact O-CB 3.34Å; I92-S95 PolarHBondContact O-N 2.89Å; I92-S95 PolarHBondContact O-OG 3.46Å; I92-S95 VanDerWaalsContact O-OG 3.1Å
96M98.6Very high98.1Very high0 Ų056.7 Ų56.70%031%0.307CS..PPolyproline II helixtrans-63.4136.9174-64.1177.2-76.400110.4S56 K59 L62 Q90 E100 I101S56-M96 WeakPolarHBondContact CB-O 3.48Å; S56-M96 WeakPolarHBondContact O-CE 3.46Å; S56-M96 PolarHBondContact O-N 3.19Å; K59-M96 HydrophobicContact CB-CE 4.43Å; K59-M96 HydrophobicContact CB-SD 4.26Å; K59-M96 HydrophobicContact CD-CG 4.13Å; K59-M96 HydrophobicContact CD-SD 4.43Å; K59-M96 HydrophobicContact CG-CE 4.05Å; K59-M96 HydrophobicContact CG-CG 3.88Å; K59-M96 HydrophobicContact CG-SD 3.81Å; L62-M96 HydrophobicContact CD1-CE 4.25Å; L62-M96 HydrophobicContact CD2-CE 4.15Å; L62-M96 HydrophobicContact CD2-SD 3.93Å; Q90-M96 PolarHBondContact NE2-O 3.01Å; M96-E100 WeakPolarHBondContact CA-OE2 3.42Å; M96-E100 HydrophobicContact CB-CB 4.2Å; M96-I101 HydrophobicContact CB-CD1 4.04Å; M96-I101 HydrophobicContact CB-CG1 3.72Å; M96-I101 HydrophobicContact CE-CG1 4.25Å; M96-I101 HydrophobicContact SD-CG1 4.27Å
97S98.3Very high98Very high43 Ų4356 Ų5630%0.30130%0.304SS..PPolyproline II helixtrans-67.4161.5168.262.70000111.5A99 E100 I101S97-A99 PolarHBondContact O-N 3.36Å; S97-E100 WeakPolarHBondContact CB-OE2 3.44Å; S97-E100 PolarHBondContact N-OE2 2.87Å; S97-E100 PolarHBondContact O-N 3.14Å; S97-E100 WeakPolarHBondContact OG-CG 3.2Å; S97-E100 PolarHBondContact OG-N 3.39Å; S97-E100 PolarHBondContact OG-OE2 2.83Å; S97-I101 PolarHBondContact O-N 2.69Å
98S98.2Very high97.9Very high42 Ų4260 Ų6029%0.29433%0.328SS..Hα-helixtrans-56.6-33.3170.853.80000112.4S102 I117S98-S102 WeakPolarHBondContact O-CB 3.45Å; S98-S102 PolarHBondContact O-N 2.88Å; S98-I117 WeakPolarHBondContact O-CD1 3.28Å
99A98.3Very high97.8Very high68 Ų6861.4 Ų61.456%0.56234%0.34SS*.Hα-helixtrans-67.4-45.5176.700000112.3S97 S102 H103S97-A99 PolarHBondContact O-N 3.36Å; A99-S102 PolarHBondContact O-N 3.26Å; A99-H103 WeakPolarHBondContact O-CB 3.43Å; A99-H103 PolarHBondContact O-N 3.33Å
100E98.3Very high97.7Very high86 Ų8658.3 Ų58.340%0.40233%0.327SS..Hα-helixtrans-63.1-45.6177-74.2164.911400111.7M96 S97 H103 Q104M96-E100 WeakPolarHBondContact CA-OE2 3.42Å; M96-E100 HydrophobicContact CB-CB 4.2Å; S97-E100 WeakPolarHBondContact CB-OE2 3.44Å; S97-E100 PolarHBondContact N-OE2 2.87Å; S97-E100 PolarHBondContact O-N 3.14Å; S97-E100 WeakPolarHBondContact OG-CG 3.2Å; S97-E100 PolarHBondContact OG-N 3.39Å; S97-E100 PolarHBondContact OG-OE2 2.83Å; E100-H103 PolarHBondContact O-N 3.41Å; E100-Q104 WeakPolarHBondContact O-CG 3.37Å; E100-Q104 PolarHBondContact O-N 2.71Å
101I98.7Very high97.4Very high0 Ų063.5 Ų63.50%035%0.348CS..Hα-helixtrans-61.9-46.3177.1-68.7166.3000110.2I54 S56 A87 M96 S97 H103 Q104 L105 I117I54-I101 HydrophobicContact CD1-CG2 3.54Å; I54-I101 HydrophobicContact CG2-CD1 4.14Å; S56-I101 WeakPolarHBondContact OG-CD1 3.38Å; A87-I101 HydrophobicContact CB-CD1 3.52Å; M96-I101 HydrophobicContact CB-CD1 4.04Å; M96-I101 HydrophobicContact CB-CG1 3.72Å; M96-I101 HydrophobicContact CE-CG1 4.25Å; M96-I101 HydrophobicContact SD-CG1 4.27Å; S97-I101 PolarHBondContact O-N 2.69Å; I101-H103 VanDerWaalsContact C-N 3.3Å; I101-H103 PolarHBondContact O-N 3.5Å; I101-Q104 PolarHBondContact O-N 2.97Å; I101-L105 HydrophobicContact CG2-CD1 3.93Å; I101-L105 HydrophobicContact CG2-CG 4.19Å; I101-L105 WeakPolarHBondContact O-CB 3.27Å; I101-L105 WeakPolarHBondContact O-CG 3.39Å; I101-L105 PolarHBondContact O-N 3.17Å; I101-I117 HydrophobicContact CB-CD1 3.86Å; I101-I117 HydrophobicContact CG2-CD1 3.57Å
102S98.4Very high97.1Very high19 Ų1962.7 Ų62.713%0.13335%0.354CS..Hα-helixtrans-57.4-44.1178.3-179.20000112S98 A99 N106 L107S98-S102 WeakPolarHBondContact O-CB 3.45Å; S98-S102 PolarHBondContact O-N 2.88Å; A99-S102 PolarHBondContact O-N 3.26Å; S102-N106 PolarHBondContact O-N 3.34Å; S102-L107 PolarHBondContact O-N 3.34Å
103H98Very high97Very high154 Ų15460.3 Ų60.371%0.71334%0.342SS*.Hα-helixtrans-63.7-51.3176.6-179.471000112A99 E100 I101 L105 N106A99-H103 WeakPolarHBondContact O-CB 3.43Å; A99-H103 PolarHBondContact O-N 3.33Å; E100-H103 PolarHBondContact O-N 3.41Å; I101-H103 VanDerWaalsContact C-N 3.3Å; I101-H103 PolarHBondContact O-N 3.5Å; H103-L105 PolarHBondContact O-N 3.41Å; H103-N106 WeakPolarHBondContact O-CA 3.27Å; H103-N106 PolarHBondContact O-N 3.02Å
104Q97.5Very high96.9Very high82 Ų8258 Ų5838%0.38333%0.327SS..Hα-helixtrans-65.9-39.8-176.6-71.1-171.847.300112.4L62 K66 E100 I101 N106L62-Q104 HydrophobicContact CD2-CB 3.46Å; L62-Q104 VanDerWaalsContact CD2-CB 3.46Å; L62-Q104 HydrophobicContact CD2-CG 4.14Å; L62-Q104 VanDerWaalsContact CD2-OE1 3.29Å; K66-Q104 WeakPolarHBondContact CD-O 3.5Å; K66-Q104 WeakPolarHBondContact CE-O 3.38Å; K66-Q104 PolarHBondContact NZ-O 2.71Å; E100-Q104 WeakPolarHBondContact O-CG 3.37Å; E100-Q104 PolarHBondContact O-N 2.71Å; I101-Q104 PolarHBondContact O-N 2.97Å; Q104-N106 PolarHBondContact O-N 3.28Å
105L98Very high97Very high0 Ų059 Ų590%031%0.314CS..Hα-helixtrans-72.2-9.9171.7-66.3-169.5000113.2L52 I54 L62 I65 K66 Y70 I101 H103 L107L52-L105 HydrophobicContact CD2-CD1 4.32Å; I54-L105 HydrophobicContact CD1-CD1 3.47Å; I54-L105 VanDerWaalsContact CD1-CD1 3.47Å; L62-L105 HydrophobicContact CD1-CD2 4.22Å; L62-L105 HydrophobicContact CG-CD2 4.02Å; I65-L105 HydrophobicContact CG2-CD2 4.42Å; K66-L105 HydrophobicContact CB-CD2 3.65Å; K66-L105 WeakPolarHBondContact CE-O 3.45Å; K66-L105 HydrophobicContact CG-CD2 4.15Å; Y70-L105 WeakPolarHBondContact CE2-O 3.48Å; Y70-L105 PolarHBondContact OH-O 2.85Å; I101-L105 HydrophobicContact CG2-CD1 3.93Å; I101-L105 HydrophobicContact CG2-CG 4.19Å; I101-L105 WeakPolarHBondContact O-CB 3.27Å; I101-L105 WeakPolarHBondContact O-CG 3.39Å; I101-L105 PolarHBondContact O-N 3.17Å; H103-L105 PolarHBondContact O-N 3.41Å; L105-L107 VanDerWaalsContact C-N 3.28Å; L105-L107 HydrophobicContact CB-CD2 3.67Å; L105-L107 HydrophobicContact CB-CG 3.94Å; L105-L107 HydrophobicContact CD1-CD2 4.05Å; L105-L107 PolarHBondContact O-N 2.92Å
106N97.5Very high97Very high70 Ų7060.6 Ų60.637%0.37432%0.32SS..THydrogen-bonded Turntrans55.840.7-177.1-16833000112.5Y70 S102 H103 Q104 T108 S109Y70-N106 PolarHBondContact OH-O 3.31Å; S102-N106 PolarHBondContact O-N 3.34Å; H103-N106 WeakPolarHBondContact O-CA 3.27Å; H103-N106 PolarHBondContact O-N 3.02Å; Q104-N106 PolarHBondContact O-N 3.28Å; N106-T108 PolarHBondContact O-N 3.37Å; N106-T108 VanDerWaalsContact O-N 3.09Å; N106-S109 VanDerWaalsContact ND2-CB 3.3Å; N106-S109 WeakPolarHBondContact ND2-CB 3.49Å; N106-S109 PolarHBondContact ND2-OG 3.37Å; N106-S109 WeakPolarHBondContact O-CB 3.45Å; N106-S109 PolarHBondContact O-N 3.47Å; N106-S109 PolarHBondContact O-OG 2.85Å
107L97.9Very high97Very high0 Ų062 Ų620%033%0.327CS..G310 helixtrans-58.4-28.6-172.7-62.1-176.4000112.8F69 I85 S102 L105 S109 I110 W115 I117F69-L107 HydrophobicContact CE1-CD2 3.76Å; F69-L107 HydrophobicContact CZ-CD2 4.49Å; I85-L107 HydrophobicContact CD1-CD1 4.11Å; I85-L107 HydrophobicContact CD1-CD2 4.45Å; I85-L107 HydrophobicContact CG1-CD1 4.42Å; S102-L107 PolarHBondContact O-N 3.34Å; L105-L107 VanDerWaalsContact C-N 3.28Å; L105-L107 HydrophobicContact CB-CD2 3.67Å; L105-L107 HydrophobicContact CB-CG 3.94Å; L105-L107 HydrophobicContact CD1-CD2 4.05Å; L105-L107 PolarHBondContact O-N 2.92Å; L107-S109 PolarHBondContact O-N 3Å; L107-S109 VanDerWaalsContact O-N 3.12Å; L107-I110 HydrophobicContact CD2-CD1 3.87Å; L107-I110 WeakPolarHBondContact O-CB 3.07Å; L107-I110 PolarHBondContact O-N 3.19Å; L107-W115 HydrophobicContact CB-CD2 4.24Å; L107-W115 HydrophobicContact CB-CE3 4.18Å; L107-W115 HydrophobicContact CB-CH2 3.79Å; L107-W115 HydrophobicContact CB-CZ2 3.82Å; L107-W115 HydrophobicContact CB-CZ3 3.97Å; L107-W115 HydrophobicContact CD1-CE3 4.02Å; L107-W115 HydrophobicContact CD1-CH2 4.5Å; L107-W115 HydrophobicContact CD1-CZ3 3.9Å; L107-W115 PolarHBondContact O-NE1 3.08Å; L107-I117 HydrophobicContact CD1-CB 4.27Å; L107-I117 HydrophobicContact CD1-CD1 4.28Å
108T96.7Very high97Very high85 Ų8561.8 Ų61.852%0.52132%0.321SS..G310 helixtrans-62.1-17.7175.756.20000113.8N106 K111N106-T108 PolarHBondContact O-N 3.37Å; N106-T108 VanDerWaalsContact O-N 3.09Å; T108-K111 WeakPolarHBondContact O-CE 3.32Å; T108-K111 PolarHBondContact O-NZ 3.5Å
109S96.6Very high97Very high51 Ų5161.4 Ų61.436%0.35732%0.321SS..G310 helixtrans-78.5-1717372.40000113.8Y70 N106 L107 K111Y70-S109 PolarHBondContact OH-OG 2.89Å; N106-S109 VanDerWaalsContact ND2-CB 3.3Å; N106-S109 WeakPolarHBondContact ND2-CB 3.49Å; N106-S109 PolarHBondContact ND2-OG 3.37Å; N106-S109 WeakPolarHBondContact O-CB 3.45Å; N106-S109 PolarHBondContact O-N 3.47Å; N106-S109 PolarHBondContact O-OG 2.85Å; L107-S109 PolarHBondContact O-N 3Å; L107-S109 VanDerWaalsContact O-N 3.12Å; S109-K111 PolarHBondContact O-N 2.8Å
110I95.9Very high97.1Very high12 Ų1258.3 Ų58.36%0.06230%0.295CS..  trans-73.2111.7174.9-57.3168.5000107.8F69 Y70 L73 L107 Q113F69-I110 HydrophobicContact CE1-CD1 3.75Å; F69-I110 HydrophobicContact CZ-CD1 4.12Å; Y70-I110 HydrophobicContact CE1-CG1 4.05Å; L73-I110 HydrophobicContact CD1-CD1 3.65Å; L73-I110 HydrophobicContact CD1-CG1 4.11Å; L107-I110 HydrophobicContact CD2-CD1 3.87Å; L107-I110 WeakPolarHBondContact O-CB 3.07Å; L107-I110 PolarHBondContact O-N 3.19Å; I110-Q113 HydrophobicContact CG2-CB 4.18Å
111K92.8Very high97.1Very high177 Ų17754.4 Ų54.477%0.7728%0.277SS*.  trans-111.5-26.9-179.7-57.6-51.6-172.9-169.80113.8T108 S109T108-K111 WeakPolarHBondContact O-CE 3.32Å; T108-K111 PolarHBondContact O-NZ 3.5Å; S109-K111 PolarHBondContact O-N 2.8Å
112A90.5Very high96.9Very high73 Ų7357.1 Ų57.160%0.60330%0.299SS*.SBendtrans-77.6-44-174.900000111.7
113Q94.6Very high96.8Very high19 Ų1962 Ų629%0.08932%0.323CS..SBendtrans-97.8147.3179.8-60.186.7-9.800112.4L73 S81 I83 I110L73-Q113 PolarHBondContact O-NE2 2.75Å; S81-Q113 WeakPolarHBondContact O-CB 3.33Å; S81-Q113 WeakPolarHBondContact O-CG 3.31Å; I83-Q113 HydrophobicContact CG1-CB 3.97Å; I83-Q113 HydrophobicContact CG1-CG 4.38Å; I110-Q113 HydrophobicContact CG2-CB 4.18Å
114R96.1Very high96.6Very high165 Ų16559.2 Ų59.262%0.62332%0.317SS*.  trans-72.4142.2163.5-61.1-179.2-173.11120.2108.8I83I83-R114 PolarHBondContact N-O 3.1Å
115W97.8Very high96.5Very high73 Ų7356.5 Ų56.528%0.27731%0.311SS..EExtended strand (participates in β ladder)trans-146155.4177.461.4-94.8000112.8I83 I85 L107 I117I83-W115 HydrophobicContact CB-CB 4.01Å; I83-W115 CarbonylContact O-C 3.58Å; I83-W115 WeakPolarHBondContact O-CA 3.38Å; I83-W115 WeakPolarHBondContact O-CB 3.36Å; I85-W115 HydrophobicContact CD1-CB 4.28Å; L107-W115 HydrophobicContact CB-CD2 4.24Å; L107-W115 HydrophobicContact CB-CE3 4.18Å; L107-W115 HydrophobicContact CB-CH2 3.79Å; L107-W115 HydrophobicContact CB-CZ2 3.82Å; L107-W115 HydrophobicContact CB-CZ3 3.97Å; L107-W115 HydrophobicContact CD1-CE3 4.02Å; L107-W115 HydrophobicContact CD1-CH2 4.5Å; L107-W115 HydrophobicContact CD1-CZ3 3.9Å; L107-W115 PolarHBondContact O-NE1 3.08Å; W115-I117 HydrophobicContact CZ3-CG2 4.32Å
116Q98.3Very high96.5Very high54 Ų5463.1 Ų63.125%0.25234%0.342SS..EExtended strand (participates in β ladder)trans-137.5145.1166.5173.4164.3-1100109.8I83 L84 I85 W134I83-Q116 PolarHBondContact O-N 2.99Å; L84-Q116 HydrophobicContact CD1-CB 4.38Å; L84-Q116 HydrophobicContact CD1-CG 4.49Å; I85-Q116 WeakPolarHBondContact CD1-O 3.31Å; I85-Q116 PolarHBondContact N-O 3.24Å; Q116-W134 HydrophobicContact CB-CD2 3.75Å; Q116-W134 HydrophobicContact CB-CE3 4.31Å; Q116-W134 HydrophobicContact CB-CG 4.05Å; Q116-W134 HydrophobicContact CB-CH2 4.43Å; Q116-W134 HydrophobicContact CB-CZ2 3.88Å; Q116-W134 HydrophobicContact CG-CG 4.49Å; Q116-W134 VanDerWaalsContact OE1-CB 3.32Å
117I98.7Very high96.5Very high29 Ų2959.9 Ų59.915%0.14933%0.325CS..EExtended strand (participates in β ladder)trans-107.4134.5163.8-173161.2000110.3I85 A87 S98 I101 L107 W115I85-I117 HydrophobicContact CB-CB 4.15Å; I85-I117 HydrophobicContact CB-CD1 4.36Å; I85-I117 HydrophobicContact CB-CG1 4.03Å; I85-I117 HydrophobicContact CG2-CD1 3.93Å; I85-I117 HydrophobicContact CG2-CG1 4.03Å; I85-I117 CarbonylContact O-C 3.52Å; I85-I117 VanDerWaalsContact O-CA 3.31Å; I85-I117 WeakPolarHBondContact O-CA 3.34Å; A87-I117 HydrophobicContact CB-CD1 4.3Å; A87-I117 HydrophobicContact CB-CG1 4.3Å; S98-I117 WeakPolarHBondContact O-CD1 3.28Å; I101-I117 HydrophobicContact CB-CD1 3.86Å; I101-I117 HydrophobicContact CG2-CD1 3.57Å; L107-I117 HydrophobicContact CD1-CB 4.27Å; L107-I117 HydrophobicContact CD1-CD1 4.28Å; W115-I117 HydrophobicContact CZ3-CG2 4.32Å
118Q98.7Very high96.5Very high39 Ų3962.4 Ų62.418%0.18234%0.338CS..EExtended strand (participates in β ladder)trans-129.1120.7-179-179.756.259.700109.8L84 I85 F86 A87 G127 Q130L84-Q118 HydrophobicContact CD1-CB 4.38Å; I85-Q118 PolarHBondContact O-N 3.02Å; F86-Q118 WeakPolarHBondContact CA-O 3.11Å; F86-Q118 HydrophobicContact CD1-CB 4.1Å; F86-Q118 HydrophobicContact CD1-CG 4.31Å; F86-Q118 HydrophobicContact CE1-CB 4.16Å; F86-Q118 HydrophobicContact CE1-CG 4.09Å; A87-Q118 PolarHBondContact N-O 2.65Å; Q118-G127 WeakPolarHBondContact CG-O 3.24Å; Q118-Q130 HydrophobicContact CG-CB 4.26Å
119A98.7Very high96.4Very high34 Ų3466.2 Ų66.228%0.28134%0.343SS..EExtended strand (participates in β ladder)trans-65133.1169.200000109.5Q90 G127Q90-A119 HydrophobicContact CG-CB 4.11Å; A119-G127 WeakPolarHBondContact O-CA 3.43Å
120C98.7Very high96.5Very high3 Ų368.7 Ų68.72%0.0235%0.349CS..  trans-152.4166.8-178.6700000113.5F86 A87 N88 K89 Q90 E126 L128F86-C120 HydrophobicContact CD1-CB 3.93Å; F86-C120 WeakPolarHBondContact CD1-SG 3.1Å; F86-C120 HydrophobicContact CE1-CB 4.37Å; A87-C120 PolarHBondContact O-N 3.17Å; N88-C120 CarbonylContact C-O 3.58Å; N88-C120 WeakPolarHBondContact CA-O 3.15Å; N88-C120 VanDerWaalsContact CA-SG 3.58Å; K89-C120 PolarHBondContact N-O 3.34Å; Q90-C120 WeakPolarHBondContact CG-O 3.37Å; Q90-C120 PolarHBondContact N-O 3.04Å; C120-E126 CarbonylContact C-O 3.55Å; C120-E126 WeakPolarHBondContact CA-O 3.36Å; C120-E126 WeakPolarHBondContact CB-O 3.46Å; C120-L128 HydrophobicContact CB-CD2 3.9Å
121C98.2Very high96.5Very high3 Ų368.1 Ų68.12%0.0235%0.346CS..BIsolated β-bridgetrans-132.6113.3165.9175.10000108.5D91 L123 T124 G125 E126D91-C121 VanDerWaalsContact CG-SG 3.59Å; D91-C121 PolarHBondContact OD1-SG 2.84Å; C121-L123 PolarHBondContact O-N 3.39Å; C121-T124 WeakPolarHBondContact CB-OG1 3.43Å; C121-T124 PolarHBondContact O-N 3.27Å; C121-T124 PolarHBondContact O-OG1 3.17Å; C121-G125 WeakPolarHBondContact O-CA 3.35Å; C121-G125 PolarHBondContact O-N 2.96Å; C121-E126 PolarHBondContact N-O 2.97Å; C121-E126 PolarHBondContact O-N 2.89Å
122A96.1Very high96.7Very high57 Ų5760.9 Ų60.947%0.47132%0.316SS..THydrogen-bonded Turntrans-62.8-29.1-179.900000113N88N88-A122 PolarHBondContact OD1-N 2.78Å
123L94.5Very high96.9Very high123 Ų12360.5 Ų60.564%0.64430%0.301SS*.THydrogen-bonded Turntrans-71-37.3179.6-62.2178.3000112.4V4 C121V4-L123 HydrophobicContact CG1-CD2 4.41Å; C121-L123 PolarHBondContact O-N 3.39Å
124T94.7Very high97.1Very high95 Ų9561 Ų6158%0.58330%0.302SS*.THydrogen-bonded Turntrans-95.4-17.1-179.666.30000112.8C121 E126C121-T124 WeakPolarHBondContact CB-OG1 3.43Å; C121-T124 PolarHBondContact O-N 3.27Å; C121-T124 PolarHBondContact O-OG1 3.17Å; T124-E126 PolarHBondContact O-N 3.25Å; T124-E126 WeakPolarHBondContact OG1-CB 3.38Å; T124-E126 PolarHBondContact OG1-N 2.9Å
125G95.4Very high97.1Very high24 Ų2453.4 Ų53.425%0.24727%0.274CS..THydrogen-bonded Turntrans76.14.2-171.800000113.9C121 L128C121-G125 WeakPolarHBondContact O-CA 3.35Å; C121-G125 PolarHBondContact O-N 2.96Å; G125-L128 PolarHBondContact O-N 3.45Å
126E97.7Very high97Very high139 Ų13950.6 Ų50.665%0.6527%0.267SS*.BIsolated β-bridgetrans-62137176-173.4178-179.100110.5C120 C121 T124 L128C120-E126 CarbonylContact C-O 3.55Å; C120-E126 WeakPolarHBondContact CA-O 3.36Å; C120-E126 WeakPolarHBondContact CB-O 3.46Å; C121-E126 PolarHBondContact N-O 2.97Å; C121-E126 PolarHBondContact O-N 2.89Å; T124-E126 PolarHBondContact O-N 3.25Å; T124-E126 WeakPolarHBondContact OG1-CB 3.38Å; T124-E126 PolarHBondContact OG1-N 2.9Å; E126-L128 PolarHBondContact O-N 2.83Å; E126-L128 VanDerWaalsContact O-N 3.1Å
127G97.9Very high96.8Very high2 Ų252.1 Ų52.12%0.02128%0.283CS..THydrogen-bonded Turntrans78.9-22.6178.700000115.2Q118 A119 R129 Q130 G131Q118-G127 WeakPolarHBondContact CG-O 3.24Å; A119-G127 WeakPolarHBondContact O-CA 3.43Å; G127-R129 PolarHBondContact O-N 2.96Å; G127-Q130 PolarHBondContact O-N 2.98Å; G127-Q130 PolarHBondContact O-OE1 3.1Å; G127-G131 PolarHBondContact O-N 3.45Å
128L96.9Very high96.6Very high53 Ų5353.3 Ų53.328%0.27729%0.288SS..Hα-helixtrans-63.8-43.5-176.7-61.4-172.8000112.2F86 C120 G125 E126 Q130 G131 L132F86-L128 HydrophobicContact CD1-CD2 4.22Å; F86-L128 HydrophobicContact CE1-CD2 3.91Å; F86-L128 HydrophobicContact CE2-CD2 4.22Å; F86-L128 HydrophobicContact CZ-CD2 3.9Å; C120-L128 HydrophobicContact CB-CD2 3.9Å; G125-L128 PolarHBondContact O-N 3.45Å; E126-L128 PolarHBondContact O-N 2.83Å; E126-L128 VanDerWaalsContact O-N 3.1Å; L128-Q130 VanDerWaalsContact C-N 3.3Å; L128-Q130 PolarHBondContact O-N 2.84Å; L128-G131 PolarHBondContact O-N 2.87Å; L128-G131 VanDerWaalsContact O-N 3.14Å; L128-L132 PolarHBondContact O-N 2.87Å
129R95.6Very high96.3Very high166 Ų16653.4 Ų53.463%0.62629%0.291SS*.Hα-helixtrans-62.4-37.6179-74.4-175.8-85.8172.3-5.8112.2W20 G127 G131 L132 E133W20-R129 HydrophobicContact CH2-CB 3.95Å; W20-R129 HydrophobicContact CH2-CG 3.71Å; W20-R129 HydrophobicContact CZ2-CB 4.39Å; W20-R129 HydrophobicContact CZ3-CG 3.94Å; G127-R129 PolarHBondContact O-N 2.96Å; R129-G131 VanDerWaalsContact C-N 3.33Å; R129-L132 PolarHBondContact O-N 3.11Å; R129-E133 WeakPolarHBondContact O-CB 3.33Å; R129-E133 PolarHBondContact O-N 3.27Å
130Q97.6Very high95.2Very high102 Ų10260.6 Ų60.648%0.47732%0.316SS..Hα-helixtrans-65.1-38.5176-67.182.4-12.100111.3Q118 G127 L128 E133 W134Q118-Q130 HydrophobicContact CG-CB 4.26Å; G127-Q130 PolarHBondContact O-N 2.98Å; G127-Q130 PolarHBondContact O-OE1 3.1Å; L128-Q130 VanDerWaalsContact C-N 3.3Å; L128-Q130 PolarHBondContact O-N 2.84Å; Q130-E133 PolarHBondContact O-N 3.19Å; Q130-W134 PolarHBondContact O-N 2.6Å
131G97.3Very high93.3Very high0 Ų075.5 Ų75.50%037%0.372CS..Hα-helixtrans-62.9-46.5172.900000112.6G127 L128 R129 E133 W134 M135G127-G131 PolarHBondContact O-N 3.45Å; L128-G131 PolarHBondContact O-N 2.87Å; L128-G131 VanDerWaalsContact O-N 3.14Å; R129-G131 VanDerWaalsContact C-N 3.33Å; G131-E133 VanDerWaalsContact C-N 3.35Å; G131-E133 PolarHBondContact O-N 3.26Å; G131-W134 WeakPolarHBondContact O-CB 3.47Å; G131-W134 PolarHBondContact O-N 3.44Å; G131-M135 PolarHBondContact O-N 2.65Å
132L95.7Very high93.1Very high26 Ų2679.1 Ų79.114%0.13639%0.389CS..Hα-helixtrans-64.2-38.1176.2-68.5176.1000112.5V18 W20 L128 R129 W134 M135 A136V18-L132 HydrophobicContact CG1-CD1 4.26Å; W20-L132 HydrophobicContact CD2-CB 4.33Å; W20-L132 HydrophobicContact CE3-CD1 4.46Å; W20-L132 HydrophobicContact CG-CB 4.25Å; L128-L132 PolarHBondContact O-N 2.87Å; R129-L132 PolarHBondContact O-N 3.11Å; L132-W134 VanDerWaalsContact C-N 3.32Å; L132-W134 PolarHBondContact O-N 2.64Å; L132-M135 HydrophobicContact CD2-SD 4.21Å; L132-M135 PolarHBondContact O-N 3.27Å; L132-A136 WeakPolarHBondContact O-CB 3.41Å; L132-A136 PolarHBondContact O-N 3.3Å
133E96.4Very high92.9Very high65 Ų6580.3 Ų80.330%0.30439%0.385SS..Hα-helixtrans-61.7-41.6175.2-169.269.2-179.200111.4W20 R21 R129 Q130 G131 A136 S137W20-E133 PolarHBondContact NE1-OE2 3.08Å; R21-E133 IonicContact CZ-OE1 2.65Å; R21-E133 IonicContact CZ-OE2 2.67Å; R21-E133 IonicContact NE-OE1 3.06Å; R21-E133 PolarHBondContact NE-OE1 2.67Å; R21-E133 IonicContact NE-OE2 2.64Å; R21-E133 PolarHBondContact NE-OE2 3.34Å; R21-E133 IonicContact NH2-OE1 3.68Å; R21-E133 PolarHBondContact NH2-OE1 3.35Å; R21-E133 IonicContact NH2-OE2 2.78Å; R129-E133 WeakPolarHBondContact O-CB 3.33Å; R129-E133 PolarHBondContact O-N 3.27Å; Q130-E133 PolarHBondContact O-N 3.19Å; G131-E133 VanDerWaalsContact C-N 3.35Å; G131-E133 PolarHBondContact O-N 3.26Å; E133-A136 PolarHBondContact O-N 2.85Å; E133-S137 PolarHBondContact O-N 3.46Å
134W97.2Very high92.9Very high29 Ų2977.9 Ų77.911%0.1137%0.371CS..Hα-helixtrans-61.8-46.4174177.480.2000111.7F49 A82 I83 L84 Q116 Q130 G131 L132 A136 S137 H138F49-W134 HydrophobicContact CD1-CZ3 4.47Å; A82-W134 HydrophobicContact CB-CH2 3.88Å; A82-W134 HydrophobicContact CB-CZ3 4.38Å; I83-W134 VanDerWaalsContact O-CH2 3.31Å; I83-W134 WeakPolarHBondContact O-CH2 3.13Å; L84-W134 HydrophobicContact CB-CE3 4.11Å; L84-W134 HydrophobicContact CB-CZ3 3.83Å; L84-W134 HydrophobicContact CD1-CE3 4.09Å; Q116-W134 HydrophobicContact CB-CD2 3.75Å; Q116-W134 HydrophobicContact CB-CE3 4.31Å; Q116-W134 HydrophobicContact CB-CG 4.05Å; Q116-W134 HydrophobicContact CB-CH2 4.43Å; Q116-W134 HydrophobicContact CB-CZ2 3.88Å; Q116-W134 HydrophobicContact CG-CG 4.49Å; Q116-W134 VanDerWaalsContact OE1-CB 3.32Å; Q130-W134 PolarHBondContact O-N 2.6Å; G131-W134 WeakPolarHBondContact O-CB 3.47Å; G131-W134 PolarHBondContact O-N 3.44Å; L132-W134 VanDerWaalsContact C-N 3.32Å; L132-W134 PolarHBondContact O-N 2.64Å; W134-A136 PolarHBondContact O-N 3.3Å; W134-S137 PolarHBondContact O-N 2.89Å; W134-S137 PolarHBondContact O-OG 3.2Å; W134-H138 AromaticContact CD1-CE1 3.43Å; W134-H138 VanDerWaalsContact CD1-CE1 3.43Å; W134-H138 AromaticContact CD1-ND1 3.71Å; W134-H138 AromaticContact CD2-ND1 3.89Å; W134-H138 AromaticContact CE2-CE1 3.48Å; W134-H138 VanDerWaalsContact CE2-CE1 3.48Å; W134-H138 AromaticContact CE2-ND1 3.63Å; W134-H138 AromaticContact NE1-CE1 3.04Å; W134-H138 PolarHBondContact NE1-CE1 3.13Å; W134-H138 AromaticContact NE1-ND1 3.55Å; W134-H138 AromaticContact NE1-NE2 3.85Å; W134-H138 PolarHBondContact O-N 3.41Å; W134-H138 PolarHBondContact O-ND1 3.35Å
135M96.7Very high92.7Very high5 Ų576.9 Ų76.93%0.02536%0.358CS..Hα-helixtrans-57.9-49.1176.2-69.1172.363.700111.2F25 F49 I51 L84 G131 L132 S137 H138 V139F25-M135 HydrophobicContact CD1-CE 3.85Å; F25-M135 HydrophobicContact CE1-CB 4.09Å; F25-M135 HydrophobicContact CE1-CE 3.93Å; F25-M135 HydrophobicContact CZ-CB 4.24Å; F49-M135 HydrophobicContact CB-CE 3.72Å; F49-M135 HydrophobicContact CD1-CB 4.23Å; F49-M135 HydrophobicContact CD1-CE 4.27Å; F49-M135 HydrophobicContact CD1-CG 3.96Å; F49-M135 HydrophobicContact CD2-CE 4.04Å; F49-M135 HydrophobicContact CE1-CB 4.08Å; F49-M135 HydrophobicContact CE1-CG 4.26Å; F49-M135 HydrophobicContact CG-CE 3.75Å; F49-M135 HydrophobicContact CG-CG 4.4Å; F49-M135 HydrophobicContact CZ-CB 4.39Å; F49-M135 WeakPolarHBondContact CZ-O 3.29Å; I51-M135 HydrophobicContact CD1-CE 4.03Å; I51-M135 HydrophobicContact CD1-SD 3.72Å; I51-M135 HydrophobicContact CG1-CE 4.41Å; I51-M135 HydrophobicContact CG1-SD 4.14Å; L84-M135 HydrophobicContact CD2-CG 4.01Å; L84-M135 HydrophobicContact CD2-SD 3.69Å; G131-M135 PolarHBondContact O-N 2.65Å; L132-M135 HydrophobicContact CD2-SD 4.21Å; L132-M135 PolarHBondContact O-N 3.27Å; M135-S137 VanDerWaalsContact C-N 3.25Å; M135-S137 PolarHBondContact O-N 3.33Å; M135-H138 WeakPolarHBondContact O-CA 3.37Å; M135-H138 PolarHBondContact O-N 3.33Å; M135-V139 PolarHBondContact O-N 3.33Å
136A95.6Very high92.6Very high15 Ų1580.2 Ų80.212%0.12437%0.365CS..Hα-helixtrans-57.4-36.6178.100000112.8I23 F25 L132 E133 W134 H138 V139I23-A136 HydrophobicContact CD1-CB 3.75Å; F25-A136 HydrophobicContact CZ-CB 4.29Å; L132-A136 WeakPolarHBondContact O-CB 3.41Å; L132-A136 PolarHBondContact O-N 3.3Å; E133-A136 PolarHBondContact O-N 2.85Å; W134-A136 PolarHBondContact O-N 3.3Å; A136-H138 PolarHBondContact O-N 3.25Å; A136-V139 PolarHBondContact O-N 3.14Å
137S95.1Very high92.2Very high85 Ų8576.3 Ų76.359%0.59435%0.346SS*.Hα-helixtrans-69.1-14.817674.70000114.4E133 W134 M135E133-S137 PolarHBondContact O-N 3.46Å; W134-S137 PolarHBondContact O-N 2.89Å; W134-S137 PolarHBondContact O-OG 3.2Å; M135-S137 VanDerWaalsContact C-N 3.25Å; M135-S137 PolarHBondContact O-N 3.33Å
138H94Very high91.8Very high55 Ų5581.6 Ų81.626%0.25537%0.369SS..Hα-helixtrans-105.8-6.9-179.4-73.481.2000113.8F49 W134 M135 A136 K140F49-H138 HydrophobicContact CE1-CB 3.83Å; F49-H138 HydrophobicContact CZ-CB 4.05Å; W134-H138 AromaticContact CD1-CE1 3.43Å; W134-H138 VanDerWaalsContact CD1-CE1 3.43Å; W134-H138 AromaticContact CD1-ND1 3.71Å; W134-H138 AromaticContact CD2-ND1 3.89Å; W134-H138 AromaticContact CE2-CE1 3.48Å; W134-H138 VanDerWaalsContact CE2-CE1 3.48Å; W134-H138 AromaticContact CE2-ND1 3.63Å; W134-H138 AromaticContact NE1-CE1 3.04Å; W134-H138 PolarHBondContact NE1-CE1 3.13Å; W134-H138 AromaticContact NE1-ND1 3.55Å; W134-H138 AromaticContact NE1-NE2 3.85Å; W134-H138 PolarHBondContact O-N 3.41Å; W134-H138 PolarHBondContact O-ND1 3.35Å; M135-H138 WeakPolarHBondContact O-CA 3.37Å; M135-H138 PolarHBondContact O-N 3.33Å; A136-H138 PolarHBondContact O-N 3.25Å; H138-K140 PolarHBondContact O-N 2.91Å
139V91.5Very high91.4Very high41 Ų4183.8 Ų83.825%0.24838%0.376CS..SBendtrans-66.2124.3170.3177.50000108.1I23 F25 F49 M135 A136 R141I23-V139 HydrophobicContact CD1-CB 4.31Å; I23-V139 HydrophobicContact CD1-CG2 4.26Å; I23-V139 HydrophobicContact CG2-CG2 4.3Å; F25-V139 HydrophobicContact CE1-CG2 4.09Å; F25-V139 HydrophobicContact CZ-CG2 4.25Å; F49-V139 HydrophobicContact CE2-CG2 3.83Å; F49-V139 HydrophobicContact CZ-CG2 3.87Å; M135-V139 PolarHBondContact O-N 3.33Å; A136-V139 PolarHBondContact O-N 3.14Å; V139-R141 PolarHBondContact O-N 3.43Å
140K76.2Confident91.1Very high184 Ų18476.9 Ų76.980%0.836%0.355SS*.  trans-70.6126.9174.6-68.9-178.6-178.71770108.4H138H138-K140 PolarHBondContact O-N 2.91Å
141R59.9Low90.5Very high316 Ų31674.6 Ų74.6100%1.19234%0.344SS*.  trans-75.60170.5-65.6-173.4-179.4-148.90.4111.2V139V139-R141 PolarHBondContact O-N 3.43Å

Retrieved 141 of 141 residues in 298.1 ms (Link to these results)

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