A0A077ZK75_TRITR Loading...

18 kDa Sin3-associated polypeptide

AlphaFold DB , UniProt , Accession A0A077ZK75, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 157 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
1M43.8Very low47Very low237 Ų237173.5 Ų173.5100%1.16785%0.851SS**  0110.90-94.9167.4171.200106.1
2E45.8Very low47.1Very low176 Ų176167.7 Ų167.782%0.82284%0.841SS**  trans34.2114.7164.4-70.2167138.700119V4E2-V4 PolarHBondContact O-N 3.38Å
3E45.7Very low47.6Very low193 Ų193160.8 Ų160.890%0.90281%0.813SS**  trans-49.4100.3149.6-61.3179163.700108.3E5E3-E5 PolarHBondContact O-N 2.81Å
4V52Low47.7Very low136 Ų136163.8 Ų163.882%0.82482%0.822SS**  trans-80.285.6168.6-175.20000106.9E2 T6E2-V4 PolarHBondContact O-N 3.38Å; V4-T6 PolarHBondContact O-N 2.71Å
5E52.1Low47.9Very low168 Ų168161.6 Ų161.679%0.78581%0.808SS**  trans5.5108149.2-136.7161.7101.400115E3 E7E3-E5 PolarHBondContact O-N 2.81Å; E5-E7 PolarHBondContact O-N 2.69Å; E5-E7 VanDerWaalsContact O-N 3.14Å
6T46Very low48.5Very low128 Ų128156.4 Ų156.479%0.78581%0.808SS**  trans12.992147.1-33.50000113.7V4 Q8V4-T6 PolarHBondContact O-N 2.71Å; T6-Q8 PolarHBondContact O-N 3.1Å
7E53.1Low49.4Very low186 Ų186157.1 Ų157.187%0.86980%0.804SS**  trans-43.6108163.8-173.9156.584.100107.5E5 R9E5-E7 PolarHBondContact O-N 2.69Å; E5-E7 VanDerWaalsContact O-N 3.14Å; E7-R9 PolarHBondContact O-N 2.74Å
8Q44.7Very low51.2Low181 Ų181154.3 Ų154.385%0.84680%0.796SS**  trans-56.696.7175.7-79.7179.911.600106.1T6 Q10T6-Q8 PolarHBondContact O-N 3.1Å; Q8-Q10 VanDerWaalsContact C-N 3.28Å; Q8-Q10 PolarHBondContact O-N 2.97Å
9R45.1Very low53.1Low219 Ų219147.9 Ų147.983%0.82676%0.764SS**  trans-51.9101168.6-165.3174-170.3-114.61.9104.7E7 P11E7-R9 PolarHBondContact O-N 2.74Å; R9-P11 WeakPolarHBondContact O-CD 3.36Å
10Q42.4Very low54.9Low169 Ų169143.7 Ų143.779%0.7974%0.743SS**  trans-46.1120.7173.2-66.2176.720.900105.1Q8 S12Q8-Q10 VanDerWaalsContact C-N 3.28Å; Q8-Q10 PolarHBondContact O-N 2.97Å; Q10-S12 PolarHBondContact O-N 2.66Å
11P46.5Very low56.6Low115 Ų115141.1 Ų141.175%0.74772%0.724SS**  trans-61.2100.7176.521.9-28.7000106R9 V13R9-P11 WeakPolarHBondContact O-CD 3.36Å; P11-V13 HydrophobicContact CB-CG2 4.07Å; P11-V13 PolarHBondContact O-N 3.07Å
12S47.7Very low58.9Low104 Ų104138.7 Ų138.773%0.72771%0.71SS**  trans-69.471.2163.256.80000105.8Q10Q10-S12 PolarHBondContact O-N 2.66Å
13V54.6Low61Low79 Ų79138.5 Ų138.548%0.47971%0.706SS.*  trans-105.6111.8164.2-160.30000105.4P11 E15P11-V13 HydrophobicContact CB-CG2 4.07Å; P11-V13 PolarHBondContact O-N 3.07Å; V13-E15 HydrophobicContact CB-CB 3.95Å; V13-E15 HydrophobicContact CB-CG 4.14Å; V13-E15 HydrophobicContact CG1-CB 3.56Å; V13-E15 HydrophobicContact CG1-CG 3.31Å; V13-E15 PolarHBondContact O-N 2.87Å
14E48.5Very low63.2Low202 Ų202133.9 Ų133.994%0.94469%0.686SS**  trans-61.756.6154.3-64.2-169.6140.700109.7G16E14-G16 PolarHBondContact O-N 2.79Å
15E50.8Low65.2Low131 Ų131133 Ų13361%0.61268%0.684SS**  trans-89.128.9173.7-110.2166.5-157.900109.9V13 K17 T18V13-E15 HydrophobicContact CB-CB 3.95Å; V13-E15 HydrophobicContact CB-CG 4.14Å; V13-E15 HydrophobicContact CG1-CB 3.56Å; V13-E15 HydrophobicContact CG1-CG 3.31Å; V13-E15 PolarHBondContact O-N 2.87Å; E15-K17 PolarHBondContact O-N 2.71Å; E15-T18 PolarHBondContact O-N 2.71Å
16G56.8Low67.2Low78 Ų78127.5 Ų127.580%0.80466%0.663SS**THydrogen-bonded Turntrans-64.814.6-158.500000118.1E14E14-G16 PolarHBondContact O-N 2.79Å
17K64.3Low69.6Low169 Ų169122.7 Ų122.774%0.73563%0.632SS**THydrogen-bonded Turntrans-107.3-21.9174.2-68.1-175.3179.2-176.10113.7E15E15-K17 PolarHBondContact O-N 2.71Å
18T81.7Confident71.7Confident107 Ų107117.6 Ų117.666%0.65661%0.61SS**  trans-120.2120.7-171.746.40000110.9E15E15-T18 PolarHBondContact O-N 2.71Å
19V86.6Confident74.2Confident33 Ų33109 Ų10920%0.257%0.57CS.*  trans-90.5131178.9164.80000109.4R21 M24 W59 D61V19-R21 HydrophobicContact CG1-CG 4.31Å; V19-R21 PolarHBondContact O-N 2.97Å; V19-M24 HydrophobicContact CB-SD 4.27Å; V19-M24 HydrophobicContact CG1-CB 3.81Å; V19-M24 HydrophobicContact CG1-CE 4.07Å; V19-M24 HydrophobicContact CG1-CG 4.08Å; V19-M24 HydrophobicContact CG1-SD 3.52Å; V19-M24 VanDerWaalsContact CG1-SD 3.52Å; V19-M24 HydrophobicContact CG2-CE 4.33Å; V19-M24 HydrophobicContact CG2-SD 4.21Å; V19-W59 HydrophobicContact CB-CB 4.5Å; V19-W59 HydrophobicContact CG1-CB 4.13Å; V19-W59 HydrophobicContact CG1-CG 4Å; V19-D61 HydrophobicContact CB-CB 4.36Å; V19-D61 HydrophobicContact CG2-CB 4.15Å
20D90.8Very high76.7Confident63 Ų63101.8 Ų101.834%0.33754%0.543SS..  trans-71.896.4165.7-173.5-19.8000109.1E22 K23 M24D20-E22 PolarHBondContact O-N 2.94Å; D20-E22 PolarHBondContact OD1-N 3.17Å; D20-E22 VanDerWaalsContact OD1-N 3.13Å; D20-K23 HydrophobicContact CB-CB 4.45Å; D20-K23 PolarHBondContact O-N 2.97Å; D20-K23 PolarHBondContact OD1-N 3.13Å; D20-K23 WeakPolarHBondContact OD2-CD 3.41Å; D20-K23 WeakPolarHBondContact OD2-CE 3.34Å; D20-K23 WeakPolarHBondContact OD2-CG 3.21Å; D20-K23 IonicContact OD2-NZ 2.75Å; D20-K23 PolarHBondContact OD2-NZ 2.79Å; D20-M24 WeakPolarHBondContact O-CB 3.45Å; D20-M24 PolarHBondContact O-N 2.89Å
21R90.2Very high79.3Confident89 Ų8993.7 Ų93.734%0.33651%0.505SS..THydrogen-bonded Turntrans-68.6-13.2-175.3-61.6-176.4-176.3-169.93.2113.4V19 W59 D61 E66V19-R21 HydrophobicContact CG1-CG 4.31Å; V19-R21 PolarHBondContact O-N 2.97Å; R21-W59 HydrophobicContact CB-CD2 4.21Å; R21-W59 HydrophobicContact CB-CE3 4.49Å; R21-W59 HydrophobicContact CB-CH2 4.09Å; R21-W59 HydrophobicContact CB-CZ2 3.75Å; R21-W59 HydrophobicContact CB-CZ3 4.45Å; R21-W59 HydrophobicContact CG-CD2 3.74Å; R21-W59 HydrophobicContact CG-CE3 3.92Å; R21-W59 HydrophobicContact CG-CG 4.19Å; R21-W59 HydrophobicContact CG-CH2 4.39Å; R21-W59 HydrophobicContact CG-CZ2 4.21Å; R21-W59 HydrophobicContact CG-CZ3 4.26Å; R21-D61 IonicContact CZ-OD2 3.35Å; R21-D61 IonicContact NE-OD1 3.78Å; R21-D61 IonicContact NE-OD2 3.19Å; R21-D61 PolarHBondContact NE-OD2 3.24Å; R21-D61 IonicContact NH2-OD1 3.28Å; R21-D61 IonicContact NH2-OD2 3.22Å; R21-D61 PolarHBondContact NH2-OD2 3.29Å; R21-E66 IonicContact CZ-OE2 3.44Å; R21-E66 IonicContact NH1-OE2 2.91Å; R21-E66 PolarHBondContact NH1-OE2 2.81Å; R21-E66 IonicContact NH2-OE1 3.69Å; R21-E66 PolarHBondContact NH2-OE1 2.89Å; R21-E66 IonicContact NH2-OE2 3.49Å; R21-E66 PolarHBondContact NH2-OE2 2.77Å; R21-E66 VanDerWaalsContact NH2-OE2 3.14Å
22E90.9Very high81.8Confident187 Ų18788.2 Ų88.287%0.87447%0.469SS*.THydrogen-bonded Turntrans-83.9-29.8175.6-62.2-174167.100111.9D20D20-E22 PolarHBondContact O-N 2.94Å; D20-E22 PolarHBondContact OD1-N 3.17Å; D20-E22 VanDerWaalsContact OD1-N 3.13Å
23K91.3Very high84.1Confident171 Ų17184 Ų8474%0.74344%0.439SS*.THydrogen-bonded Turntrans-98.6-26.6-178.7-62.5-177.2-168.7131.80113.5D20D20-K23 HydrophobicContact CB-CB 4.45Å; D20-K23 PolarHBondContact O-N 2.97Å; D20-K23 PolarHBondContact OD1-N 3.13Å; D20-K23 WeakPolarHBondContact OD2-CD 3.41Å; D20-K23 WeakPolarHBondContact OD2-CE 3.34Å; D20-K23 WeakPolarHBondContact OD2-CG 3.21Å; D20-K23 IonicContact OD2-NZ 2.75Å; D20-K23 PolarHBondContact OD2-NZ 2.79Å
24M90.9Very high86Confident97 Ų9781.5 Ų81.548%0.47843%0.425SS..SBendtrans-96.9129.2-177.4-68.4-171.355.200111.7V19 D20 W59V19-M24 HydrophobicContact CB-SD 4.27Å; V19-M24 HydrophobicContact CG1-CB 3.81Å; V19-M24 HydrophobicContact CG1-CE 4.07Å; V19-M24 HydrophobicContact CG1-CG 4.08Å; V19-M24 HydrophobicContact CG1-SD 3.52Å; V19-M24 VanDerWaalsContact CG1-SD 3.52Å; V19-M24 HydrophobicContact CG2-CE 4.33Å; V19-M24 HydrophobicContact CG2-SD 4.21Å; D20-M24 WeakPolarHBondContact O-CB 3.45Å; D20-M24 PolarHBondContact O-N 2.89Å; M24-W59 PolarHBondContact O-NE1 2.83Å
25C93.6Very high88.1Confident118 Ų11875.7 Ų75.780%0.79740%0.4SS*.PPolyproline II helixtrans-66.3132.1174.6-170.70000110.6
26P95.8Very high90.1Very high51 Ų5175 Ų7533%0.33140%0.396SS..PPolyproline II helixtrans-66.2151.2174.528.2-34.8000111.3H57 T58 W59P26-H57 HydrophobicContact CB-CB 4.33Å; P26-T58 CarbonylContact C-O 3.53Å; P26-T58 WeakPolarHBondContact CA-O 2.94Å; P26-W59 HydrophobicContact CB-CD2 4.25Å; P26-W59 HydrophobicContact CB-CH2 4.44Å; P26-W59 HydrophobicContact CB-CZ2 3.95Å; P26-W59 HydrophobicContact CG-CZ2 4.27Å
27M95.8Very high91.9Very high27 Ų2779.4 Ų79.413%0.13339%0.389CS..EExtended strand (participates in β ladder)trans-95.6148.1170.466.2-173.3-173.700111V29 H57 T58 R60 L121 F126 V128M27-V29 HydrophobicContact CE-CG2 3.88Å; M27-V29 HydrophobicContact CG-CG2 4.19Å; M27-H57 WeakPolarHBondContact O-CA 3.4Å; M27-T58 WeakPolarHBondContact CG-O 3.35Å; M27-T58 PolarHBondContact N-O 3.17Å; M27-T58 PolarHBondContact O-N 3.34Å; M27-R60 HydrophobicContact CE-CG 4.21Å; M27-R60 HydrophobicContact SD-CG 4.19Å; M27-L121 HydrophobicContact CE-CD1 3.63Å; M27-F126 HydrophobicContact CE-CD1 3.67Å; M27-F126 HydrophobicContact CE-CE1 3.6Å; M27-F126 HydrophobicContact SD-CD1 4.42Å; M27-F126 HydrophobicContact SD-CE1 4.09Å; M27-V128 HydrophobicContact CB-CG2 4.44Å; M27-V128 HydrophobicContact SD-CG2 3.83Å
28L96.6Very high93.4Very high80 Ų8073.8 Ų73.842%0.41937%0.365SS..EExtended strand (participates in β ladder)trans-77.3120.6169.9177.163.8000109.7R30 Q55L28-R30 HydrophobicContact CG-CG 4.49Å; L28-Q55 HydrophobicContact CD1-CB 3.9Å; L28-Q55 HydrophobicContact CD1-CG 4.27Å
29V97.2Very high94.1Very high0 Ų069.7 Ų69.70%034%0.339CS..EExtended strand (participates in β ladder)trans-108.1124.8171.2177.30000108.5M27 I56 T58 L121 F126 I132M27-V29 HydrophobicContact CE-CG2 3.88Å; M27-V29 HydrophobicContact CG-CG2 4.19Å; V29-I56 HydrophobicContact CB-CB 4.49Å; V29-I56 PolarHBondContact N-O 3.31Å; V29-I56 PolarHBondContact O-N 2.91Å; V29-T58 HydrophobicContact CB-CG2 4.37Å; V29-T58 HydrophobicContact CG2-CG2 3.68Å; V29-L121 HydrophobicContact CG2-CD1 4.18Å; V29-F126 HydrophobicContact CG1-CE2 4.48Å; V29-F126 HydrophobicContact CG1-CZ 4.26Å; V29-F126 HydrophobicContact CG2-CE1 4.2Å; V29-F126 HydrophobicContact CG2-CZ 4.09Å; V29-I132 HydrophobicContact CG1-CD1 3.48Å; V29-I132 VanDerWaalsContact CG1-CD1 3.48Å; V29-I132 HydrophobicContact CG1-CG1 3.87Å
30R97.2Very high94.5Very high67 Ų6770 Ų7025%0.25335%0.345SS..EExtended strand (participates in β ladder)trans-95.9112.8175.3-6217869.5-163.2-1.2108.7L28 F32 E53 Y131 I132L28-R30 HydrophobicContact CG-CG 4.49Å; R30-F32 HydrophobicContact CB-CE2 4.22Å; R30-F32 HydrophobicContact CB-CZ 4.49Å; R30-E53 IonicContact CZ-OE1 3.56Å; R30-E53 IonicContact CZ-OE2 3.65Å; R30-E53 IonicContact NE-OE1 2.81Å; R30-E53 PolarHBondContact NE-OE1 3.24Å; R30-E53 IonicContact NE-OE2 3.64Å; R30-E53 IonicContact NH2-OE1 3.44Å; R30-E53 PolarHBondContact NH2-OE1 3.3Å; R30-E53 IonicContact NH2-OE2 2.79Å; R30-E53 PolarHBondContact NH2-OE2 2.69Å; R30-Y131 HydrophobicContact CB-CD1 4.02Å; R30-Y131 PolarHBondContact NH1-OH 3.09Å; R30-Y131 WeakPolarHBondContact O-CA 3.32Å; R30-I132 PolarHBondContact O-N 3.37Å
31L97.7Very high94.6Very high0 Ų070.2 Ų70.20%035%0.345CS..EExtended strand (participates in β ladder)trans-114.3130-174.9-172.6153.4000109.7T33 E53 L54 I56 L67 I71 I132 V134L31-T33 HydrophobicContact CD2-CG2 3.25Å; L31-E53 CarbonylContact O-C 3.52Å; L31-E53 WeakPolarHBondContact O-CA 3.11Å; L31-L54 HydrophobicContact CB-CB 4.41Å; L31-L54 HydrophobicContact CD2-CB 4.36Å; L31-L54 HydrophobicContact CD2-CD1 4.24Å; L31-L54 PolarHBondContact N-O 3.08Å; L31-L54 PolarHBondContact O-N 2.98Å; L31-I56 HydrophobicContact CB-CD1 4.22Å; L31-I56 HydrophobicContact CD1-CD1 3.87Å; L31-L67 HydrophobicContact CD1-CD2 4.33Å; L31-I71 HydrophobicContact CD1-CD1 4.06Å; L31-I71 HydrophobicContact CD1-CG1 4.49Å; L31-I71 HydrophobicContact CD2-CD1 4.11Å; L31-I71 HydrophobicContact CD2-CG1 4.22Å; L31-I132 CarbonylContact C-O 3.56Å; L31-I132 VanDerWaalsContact CA-O 3.26Å; L31-I132 WeakPolarHBondContact CA-O 3.35Å; L31-I132 HydrophobicContact CB-CB 4.29Å; L31-I132 HydrophobicContact CD1-CB 4.19Å; L31-I132 HydrophobicContact CD1-CG2 3.87Å; L31-I132 HydrophobicContact CG-CB 4.02Å; L31-I132 HydrophobicContact CG-CG2 3.97Å; L31-V134 HydrophobicContact CD1-CG2 3.88Å; L31-V134 HydrophobicContact CD2-CB 4.41Å; L31-V134 HydrophobicContact CD2-CG2 3.73Å; L31-V134 HydrophobicContact CG-CG2 3.85Å
32F97.7Very high94.7Very high0 Ų075.1 Ų75.10%036%0.364CS..EExtended strand (participates in β ladder)trans-111.4141.9178.7-58.8-87000109.8R30 Y44 V49 P50 N52 E53 Y131 I132 D133 V134R30-F32 HydrophobicContact CB-CE2 4.22Å; R30-F32 HydrophobicContact CB-CZ 4.49Å; F32-Y44 AromaticContact CD2-CE1 3.89Å; F32-Y44 HydrophobicContact CD2-CE1 3.89Å; F32-Y44 HydrophobicContact CE2-CE1 4.24Å; F32-Y44 HydrophobicContact CG-CE1 4.27Å; F32-V49 HydrophobicContact CE1-CB 3.77Å; F32-V49 HydrophobicContact CE1-CG2 3.85Å; F32-V49 HydrophobicContact CZ-CB 3.72Å; F32-V49 HydrophobicContact CZ-CG1 4.06Å; F32-V49 HydrophobicContact CZ-CG2 3.94Å; F32-P50 HydrophobicContact CD1-CB 3.96Å; F32-P50 HydrophobicContact CD1-CG 4.26Å; F32-P50 WeakPolarHBondContact CD1-O 3.18Å; F32-P50 VanDerWaalsContact CE1-O 3.26Å; F32-P50 WeakPolarHBondContact CE1-O 3.18Å; F32-P50 HydrophobicContact CG-CG 4.48Å; F32-N52 WeakPolarHBondContact CA-O 3.38Å; F32-E53 HydrophobicContact CD1-CB 3.93Å; F32-E53 HydrophobicContact CD1-CG 4.28Å; F32-E53 HydrophobicContact CE1-CB 3.63Å; F32-E53 HydrophobicContact CE1-CG 3.72Å; F32-E53 HydrophobicContact CZ-CB 4.45Å; F32-E53 HydrophobicContact CZ-CG 4.06Å; F32-Y131 HydrophobicContact CD2-CG 4.44Å; F32-Y131 HydrophobicContact CE2-CD1 4.17Å; F32-Y131 AromaticContact CE2-CD2 4Å; F32-Y131 HydrophobicContact CE2-CD2 4Å; F32-Y131 AromaticContact CE2-CG 3.71Å; F32-Y131 HydrophobicContact CE2-CG 3.71Å; F32-I132 PolarHBondContact N-O 3.48Å; F32-D133 CarbonylContact O-C 3.57Å; F32-V134 PolarHBondContact O-N 2.81Å
33T96.2Very high94.9Very high16 Ų1668.7 Ų68.710%0.09834%0.335CS..EExtended strand (participates in β ladder)trans-131.7117.7-169.553.50000113.4L31 N52 L54 I75 V134 I136L31-T33 HydrophobicContact CD2-CG2 3.25Å; T33-N52 PolarHBondContact N-O 3.14Å; T33-N52 VanDerWaalsContact N-O 3.08Å; T33-N52 WeakPolarHBondContact O-CB 3.39Å; T33-N52 PolarHBondContact O-ND2 2.63Å; T33-N52 PolarHBondContact OG1-O 3.12Å; T33-L54 HydrophobicContact CG2-CD1 3.9Å; T33-L54 HydrophobicContact CG2-CG 4.44Å; T33-I75 VanDerWaalsContact CB-CD1 3.43Å; T33-I75 HydrophobicContact CG2-CD1 3.54Å; T33-I75 WeakPolarHBondContact OG1-CD1 3.41Å; T33-V134 WeakPolarHBondContact CA-O 3.37Å; T33-V134 HydrophobicContact CG2-CB 4.36Å; T33-I136 HydrophobicContact CG2-CD1 4.28Å
34C94.9Very high95.1Very high25 Ų2561.1 Ų61.117%0.16930%0.302CS..EExtended strand (participates in β ladder)trans-121148.2178.5-168.10000110.8R37 V134 A135 I136C34-R37 WeakPolarHBondContact CB-O 3.38Å; C34-V134 PolarHBondContact N-O 3.04Å; C34-A135 WeakPolarHBondContact O-CA 3.44Å; C34-I136 PolarHBondContact O-N 2.9Å
35L93.5Very high95.1Very high81 Ų8157.5 Ų57.542%0.42429%0.289SS..EExtended strand (participates in β ladder)trans-81.2139.4177.9-64.6174.2000109.8R37 E77 I136L35-R37 PolarHBondContact O-N 3.08Å; L35-E77 HydrophobicContact CD1-CG 4.27Å; L35-E77 HydrophobicContact CD2-CB 3.82Å; L35-E77 HydrophobicContact CD2-CG 4.12Å; L35-I136 CarbonylContact C-O 3.5Å; L35-I136 WeakPolarHBondContact CA-O 3.34Å; L35-I136 HydrophobicContact CD2-CB 4.23Å; L35-I136 HydrophobicContact CD2-CG2 4.2Å
36E92.2Very high94.8Very high115 Ų11562 Ų6254%0.53729%0.289SS..SBendtrans65.9-26177.7-56.8-68.7151.400116.2I136 P138E36-I136 PolarHBondContact N-O 3.08Å; E36-P138 WeakPolarHBondContact OE1-CD 3.22Å
37R94.6Very high94.4Very high172 Ų17265.7 Ų65.765%0.64932%0.316SS*.SBendtrans-149.5168-176.962.8176.2-176.5-85.1-1.7112C34 L35 A135C34-R37 WeakPolarHBondContact CB-O 3.38Å; L35-R37 PolarHBondContact O-N 3.08Å; R37-A135 WeakPolarHBondContact O-CB 3.35Å
38H96.5Very high94.2Very high50 Ų5071.4 Ų71.423%0.23134%0.337CS..PPolyproline II helixtrans-68.3153.4169.2-75.6-74.9000111.1S86 D133H38-S86 PolarHBondContact CE1-O 2.82Å; H38-S86 PolarHBondContact NE2-OG 3.31Å; H38-D133 WeakPolarHBondContact CA-OD2 3.5Å; H38-D133 WeakPolarHBondContact CB-OD2 3.24Å; H38-D133 IonicContact CE1-OD2 3.94Å; H38-D133 IonicContact CG-OD2 3.29Å; H38-D133 VanDerWaalsContact CG-OD2 3.29Å; H38-D133 IonicContact ND1-OD2 2.73Å; H38-D133 PolarHBondContact ND1-OD2 3.49Å
39N95.9Very high94.1Very high21 Ų2169.4 Ų69.411%0.11233%0.327CS..PPolyproline II helixtrans-61.3149.4173.2-74.7-66.8000110.1M41 Y44 P50 N52 D133N39-M41 PolarHBondContact O-N 2.69Å; N39-Y44 HydrophobicContact CB-CE2 3.91Å; N39-P50 HydrophobicContact CB-CG 3.89Å; N39-N52 PolarHBondContact ND2-ND2 2.9Å; N39-N52 VanDerWaalsContact ND2-ND2 3.11Å; N39-N52 PolarHBondContact OD1-ND2 3.38Å; N39-D133 PolarHBondContact N-OD2 2.8Å; N39-D133 PolarHBondContact ND2-OD1 2.81Å
40A94.7Very high94.1Very high39 Ų3970 Ų7032%0.32233%0.331SS..PPolyproline II helixtrans-70.1139.6-176.900000109.7R42 D43A40-R42 HydrophobicContact CB-CG 3.96Å; A40-R42 PolarHBondContact O-N 2.69Å; A40-R42 VanDerWaalsContact O-N 3.08Å; A40-D43 WeakPolarHBondContact CB-OD2 3.41Å; A40-D43 PolarHBondContact N-OD2 3.29Å; A40-D43 VanDerWaalsContact O-CB 3.24Å; A40-D43 WeakPolarHBondContact O-CB 3.11Å; A40-D43 PolarHBondContact O-N 2.82Å
41M93.3Very high93.9Very high69 Ų6975.2 Ų75.234%0.3436%0.363SS..G310 helixtrans-59.6-31.2-175.2-160.161.2-176.300113.5N39 D43 Y44 I90 F99 R100N39-M41 PolarHBondContact O-N 2.69Å; M41-D43 PolarHBondContact O-N 3.47Å; M41-Y44 PolarHBondContact O-N 2.93Å; M41-Y44 VanDerWaalsContact O-N 3.13Å; M41-Y44 HydrophobicContact SD-CD2 4.14Å; M41-I90 HydrophobicContact CE-CG2 4.05Å; M41-I90 HydrophobicContact SD-CD1 4.41Å; M41-I90 HydrophobicContact SD-CG2 4.49Å; M41-F99 HydrophobicContact CE-CB 3.34Å; M41-F99 WeakPolarHBondContact CE-O 3.47Å; M41-R100 VanDerWaalsContact CE-C 3.41Å
42R93.1Very high93.7Very high192 Ų19277.6 Ų77.673%0.72538%0.376SS*.G310 helixtrans-61.1-22.6173.969.9-176.5-179.9-170.8-2.5113.4A40 Y44 R48A40-R42 HydrophobicContact CB-CG 3.96Å; A40-R42 PolarHBondContact O-N 2.69Å; A40-R42 VanDerWaalsContact O-N 3.08Å; R42-Y44 PolarHBondContact O-N 3.11Å; R42-R48 PolarHBondContact O-NH2 2.81Å
43D94.3Very high93.6Very high52 Ų5280.1 Ų80.128%0.27839%0.388SS..G310 helixtrans-75.9-18.2-179.3-56.1-26.2000110.7A40 M41 R48 V49 P50A40-D43 WeakPolarHBondContact CB-OD2 3.41Å; A40-D43 PolarHBondContact N-OD2 3.29Å; A40-D43 VanDerWaalsContact O-CB 3.24Å; A40-D43 WeakPolarHBondContact O-CB 3.11Å; A40-D43 PolarHBondContact O-N 2.82Å; M41-D43 PolarHBondContact O-N 3.47Å; D43-R48 CarbonylContact O-C 3.55Å; D43-R48 VanDerWaalsContact O-O 3.14Å; D43-V49 WeakPolarHBondContact O-CA 3.5Å; D43-P50 HydrophobicContact CB-CG 3.93Å
44Y94.8Very high93.6Very high12 Ų1280.7 Ų80.75%0.04739%0.39CS..  trans-91.3116.5171.5-58.9-80.5000111.4F32 N39 M41 R42 P50 I90 Y131 D133F32-Y44 AromaticContact CD2-CE1 3.89Å; F32-Y44 HydrophobicContact CD2-CE1 3.89Å; F32-Y44 HydrophobicContact CE2-CE1 4.24Å; F32-Y44 HydrophobicContact CG-CE1 4.27Å; N39-Y44 HydrophobicContact CB-CE2 3.91Å; M41-Y44 PolarHBondContact O-N 2.93Å; M41-Y44 VanDerWaalsContact O-N 3.13Å; M41-Y44 HydrophobicContact SD-CD2 4.14Å; R42-Y44 PolarHBondContact O-N 3.11Å; Y44-P50 HydrophobicContact CD1-CG 4.44Å; Y44-P50 HydrophobicContact CE1-CG 3.89Å; Y44-P50 HydrophobicContact CE2-CG 4.28Å; Y44-I90 HydrophobicContact CD1-CG2 3.96Å; Y44-I90 HydrophobicContact CD2-CG2 4.12Å; Y44-I90 HydrophobicContact CE1-CG1 4.32Å; Y44-I90 HydrophobicContact CE1-CG2 4.29Å; Y44-I90 HydrophobicContact CE2-CD1 4.46Å; Y44-I90 HydrophobicContact CE2-CG1 4.18Å; Y44-I90 HydrophobicContact CE2-CG2 4.44Å; Y44-I90 HydrophobicContact CG-CG2 3.87Å; Y44-Y131 AromaticContact CD1-CD2 3.94Å; Y44-Y131 HydrophobicContact CD1-CD2 3.94Å; Y44-Y131 HydrophobicContact CD1-CE2 4.46Å; Y44-Y131 HydrophobicContact CE1-CD2 4.2Å; Y44-D133 WeakPolarHBondContact OH-CB 3.12Å; Y44-D133 PolarHBondContact OH-OD1 3.19Å
45G91.2Very high93.7Very high20 Ų2085.4 Ų85.421%0.20641%0.41CS..BIsolated β-bridgetrans-147.6168.3173.800000110.7S47 R48 F99G45-S47 PolarHBondContact O-N 2.96Å; G45-S47 VanDerWaalsContact O-N 3.07Å; G45-R48 CarbonylContact C-O 3.58Å; G45-R48 PolarHBondContact N-O 2.99Å; G45-R48 PolarHBondContact O-N 2.93Å; G45-R48 VanDerWaalsContact O-N 3.12Å; G45-F99 VanDerWaalsContact C-CE2 3.45Å
46R86.5Confident93.9Very high212 Ų21282.1 Ų82.180%0.839%0.393SS*.THydrogen-bonded Turntrans-55.6-33.1-173.3-172.5173.7178.4126.7-1.7113.9
47S88.4Confident94Very high129 Ų12982.9 Ų82.990%0.90240%0.396SS*.THydrogen-bonded Turntrans-118.89.1179.3650000113.4G45G45-S47 PolarHBondContact O-N 2.96Å; G45-S47 VanDerWaalsContact O-N 3.07Å
48R91.6Very high94.1Very high148 Ų14875 Ų7556%0.55837%0.367SS*.BIsolated β-bridgetrans-137.9128.9-175.1-176.7175.267.7-143.51.3109.6R42 D43 G45R42-R48 PolarHBondContact O-NH2 2.81Å; D43-R48 CarbonylContact O-C 3.55Å; D43-R48 VanDerWaalsContact O-O 3.14Å; G45-R48 CarbonylContact C-O 3.58Å; G45-R48 PolarHBondContact N-O 2.99Å; G45-R48 PolarHBondContact O-N 2.93Å; G45-R48 VanDerWaalsContact O-N 3.12Å
49V95.1Very high94.1Very high37 Ų3775 Ų7522%0.22437%0.365CS..  trans-135.2162.1171.5-67.80000108.9F32 D43 Y131F32-V49 HydrophobicContact CE1-CB 3.77Å; F32-V49 HydrophobicContact CE1-CG2 3.85Å; F32-V49 HydrophobicContact CZ-CB 3.72Å; F32-V49 HydrophobicContact CZ-CG1 4.06Å; F32-V49 HydrophobicContact CZ-CG2 3.94Å; D43-V49 WeakPolarHBondContact O-CA 3.5Å; V49-Y131 HydrophobicContact CG1-CE2 3.83Å
50P95.7Very high94Very high12 Ų1281.8 Ų81.88%0.07839%0.389CS..  trans-57.7152.4171.4-22.233.6000112.5F32 N39 D43 Y44 N52F32-P50 HydrophobicContact CD1-CB 3.96Å; F32-P50 HydrophobicContact CD1-CG 4.26Å; F32-P50 WeakPolarHBondContact CD1-O 3.18Å; F32-P50 VanDerWaalsContact CE1-O 3.26Å; F32-P50 WeakPolarHBondContact CE1-O 3.18Å; F32-P50 HydrophobicContact CG-CG 4.48Å; N39-P50 HydrophobicContact CB-CG 3.89Å; D43-P50 HydrophobicContact CB-CG 3.93Å; Y44-P50 HydrophobicContact CD1-CG 4.44Å; Y44-P50 HydrophobicContact CE1-CG 3.89Å; Y44-P50 HydrophobicContact CE2-CG 4.28Å; P50-N52 WeakPolarHBondContact CB-OD1 3.34Å
51L93.5Very high94Very high177 Ų17781 Ų8193%0.92738%0.379SS*.SBendtrans-82.3-18.8-175.4-64.3179.1000114.3E53L51-E53 PolarHBondContact O-N 2.82Å
52N93.8Very high94.1Very high51 Ų5177.7 Ų77.727%0.27336%0.363SS..  trans-76.445.3179.245.6-30.1000112.3F32 T33 N39 P50F32-N52 WeakPolarHBondContact CA-O 3.38Å; T33-N52 PolarHBondContact N-O 3.14Å; T33-N52 VanDerWaalsContact N-O 3.08Å; T33-N52 WeakPolarHBondContact O-CB 3.39Å; T33-N52 PolarHBondContact O-ND2 2.63Å; T33-N52 PolarHBondContact OG1-O 3.12Å; N39-N52 PolarHBondContact ND2-ND2 2.9Å; N39-N52 VanDerWaalsContact ND2-ND2 3.11Å; N39-N52 PolarHBondContact OD1-ND2 3.38Å; P50-N52 WeakPolarHBondContact CB-OD1 3.34Å
53E95.8Very high94.2Very high53 Ų5368.8 Ų68.825%0.24833%0.33CS..EExtended strand (participates in β ladder)trans-83.6136.2-177.5-171.2174.9160.300112.1R30 L31 F32 L51 Q55R30-E53 IonicContact CZ-OE1 3.56Å; R30-E53 IonicContact CZ-OE2 3.65Å; R30-E53 IonicContact NE-OE1 2.81Å; R30-E53 PolarHBondContact NE-OE1 3.24Å; R30-E53 IonicContact NE-OE2 3.64Å; R30-E53 IonicContact NH2-OE1 3.44Å; R30-E53 PolarHBondContact NH2-OE1 3.3Å; R30-E53 IonicContact NH2-OE2 2.79Å; R30-E53 PolarHBondContact NH2-OE2 2.69Å; L31-E53 CarbonylContact O-C 3.52Å; L31-E53 WeakPolarHBondContact O-CA 3.11Å; F32-E53 HydrophobicContact CD1-CB 3.93Å; F32-E53 HydrophobicContact CD1-CG 4.28Å; F32-E53 HydrophobicContact CE1-CB 3.63Å; F32-E53 HydrophobicContact CE1-CG 3.72Å; F32-E53 HydrophobicContact CZ-CB 4.45Å; F32-E53 HydrophobicContact CZ-CG 4.06Å; L51-E53 PolarHBondContact O-N 2.82Å; E53-Q55 HydrophobicContact CG-CG 4.34Å; E53-Q55 WeakPolarHBondContact OE1-CG 3.47Å; E53-Q55 PolarHBondContact OE1-NE2 3.38Å
54L96.5Very high94.3Very high28 Ų2866.3 Ų66.315%0.14732%0.317CS..EExtended strand (participates in β ladder)trans-121.2122.6168.1-63.9-175.7000108.6L31 T33 I71 T74 I75L31-L54 HydrophobicContact CB-CB 4.41Å; L31-L54 HydrophobicContact CD2-CB 4.36Å; L31-L54 HydrophobicContact CD2-CD1 4.24Å; L31-L54 PolarHBondContact N-O 3.08Å; L31-L54 PolarHBondContact O-N 2.98Å; T33-L54 HydrophobicContact CG2-CD1 3.9Å; T33-L54 HydrophobicContact CG2-CG 4.44Å; L54-I71 HydrophobicContact CD1-CG1 4.39Å; L54-T74 HydrophobicContact CD2-CG2 3.52Å; L54-I75 HydrophobicContact CD1-CD1 4.06Å; L54-I75 HydrophobicContact CD1-CG1 4.38Å
55Q96.6Very high94.4Very high123 Ų12370.1 Ų70.158%0.57533%0.331SS*.EExtended strand (participates in β ladder)trans-95.6118.1176.6-71.5-176-4.700109.9L28 E53L28-Q55 HydrophobicContact CD1-CB 3.9Å; L28-Q55 HydrophobicContact CD1-CG 4.27Å; E53-Q55 HydrophobicContact CG-CG 4.34Å; E53-Q55 WeakPolarHBondContact OE1-CG 3.47Å; E53-Q55 PolarHBondContact OE1-NE2 3.38Å
56I96.9Very high94.6Very high13 Ų1371.4 Ų71.47%0.06733%0.332CS..EExtended strand (participates in β ladder)trans-119.2122.9-174.9-63.9173.7000108.7V29 L31 T58 L67 L70V29-I56 HydrophobicContact CB-CB 4.49Å; V29-I56 PolarHBondContact N-O 3.31Å; V29-I56 PolarHBondContact O-N 2.91Å; L31-I56 HydrophobicContact CB-CD1 4.22Å; L31-I56 HydrophobicContact CD1-CD1 3.87Å; I56-T58 HydrophobicContact CG2-CG2 4.05Å; I56-L67 HydrophobicContact CD1-CD2 3.94Å; I56-L67 HydrophobicContact CG2-CD2 4.38Å; I56-L70 HydrophobicContact CD1-CB 4.35Å; I56-L70 HydrophobicContact CD1-CD1 4.04Å; I56-L70 HydrophobicContact CG1-CD1 4.27Å; I56-L70 HydrophobicContact CG2-CD1 3.53Å
57H96.2Very high95.1Very high130 Ų13061.3 Ų61.360%0.60229%0.294SS*.EExtended strand (participates in β ladder)trans-89.4114.3170-62.585.5000108.2P26 M27P26-H57 HydrophobicContact CB-CB 4.33Å; M27-H57 WeakPolarHBondContact O-CA 3.4Å
58T96.1Very high95.4Very high6 Ų655.7 Ų55.74%0.03725%0.254CS..EExtended strand (participates in β ladder)trans-154.3-175.5-175-160.50000112.1P26 M27 V29 I56 C62 L121P26-T58 CarbonylContact C-O 3.53Å; P26-T58 WeakPolarHBondContact CA-O 2.94Å; M27-T58 WeakPolarHBondContact CG-O 3.35Å; M27-T58 PolarHBondContact N-O 3.17Å; M27-T58 PolarHBondContact O-N 3.34Å; V29-T58 HydrophobicContact CB-CG2 4.37Å; V29-T58 HydrophobicContact CG2-CG2 3.68Å; I56-T58 HydrophobicContact CG2-CG2 4.05Å; T58-C62 HydrophobicContact CG2-CB 3.95Å; T58-C62 WeakPolarHBondContact OG1-CB 3.4Å; T58-C62 PolarHBondContact OG1-SG 3.35Å; T58-L121 HydrophobicContact CG2-CD1 4.11Å
59W95.8Very high95.5Very high52 Ų5255.5 Ų55.520%0.19725%0.253CS..  trans-120.2170.8-175.8-62.7-95.4000110.9V19 R21 M24 P26 D61 C62V19-W59 HydrophobicContact CB-CB 4.5Å; V19-W59 HydrophobicContact CG1-CB 4.13Å; V19-W59 HydrophobicContact CG1-CG 4Å; R21-W59 HydrophobicContact CB-CD2 4.21Å; R21-W59 HydrophobicContact CB-CE3 4.49Å; R21-W59 HydrophobicContact CB-CH2 4.09Å; R21-W59 HydrophobicContact CB-CZ2 3.75Å; R21-W59 HydrophobicContact CB-CZ3 4.45Å; R21-W59 HydrophobicContact CG-CD2 3.74Å; R21-W59 HydrophobicContact CG-CE3 3.92Å; R21-W59 HydrophobicContact CG-CG 4.19Å; R21-W59 HydrophobicContact CG-CH2 4.39Å; R21-W59 HydrophobicContact CG-CZ2 4.21Å; R21-W59 HydrophobicContact CG-CZ3 4.26Å; M24-W59 PolarHBondContact O-NE1 2.83Å; P26-W59 HydrophobicContact CB-CD2 4.25Å; P26-W59 HydrophobicContact CB-CH2 4.44Å; P26-W59 HydrophobicContact CB-CZ2 3.95Å; P26-W59 HydrophobicContact CG-CZ2 4.27Å; W59-D61 WeakPolarHBondContact CB-OD1 3.38Å; W59-D61 PolarHBondContact O-N 3.25Å; W59-C62 WeakPolarHBondContact O-CB 3.26Å; W59-C62 PolarHBondContact O-N 3.04Å; W59-C62 VanDerWaalsContact O-N 3.08Å
60R93.5Very high95.5Very high162 Ų16256.8 Ų56.861%0.61126%0.258SS*.THydrogen-bonded Turntrans-67.5-23.9-177.7-62-165.9-161.6172.66.2113.4M27 C62 L121 A122M27-R60 HydrophobicContact CE-CG 4.21Å; M27-R60 HydrophobicContact SD-CG 4.19Å; R60-C62 PolarHBondContact O-N 3.38Å; R60-L121 WeakPolarHBondContact O-CB 3.28Å; R60-L121 PolarHBondContact O-N 3.44Å; R60-A122 HydrophobicContact CB-CB 4.26Å; R60-A122 WeakPolarHBondContact O-CB 3.39Å; R60-A122 PolarHBondContact O-N 3.08Å
61D94.8Very high95.5Very high23 Ų2356.2 Ų56.212%0.12326%0.255CS..THydrogen-bonded Turntrans-80.51.4174.169.8-40.2000112.9V19 R21 W59 S63 T120V19-D61 HydrophobicContact CB-CB 4.36Å; V19-D61 HydrophobicContact CG2-CB 4.15Å; R21-D61 IonicContact CZ-OD2 3.35Å; R21-D61 IonicContact NE-OD1 3.78Å; R21-D61 IonicContact NE-OD2 3.19Å; R21-D61 PolarHBondContact NE-OD2 3.24Å; R21-D61 IonicContact NH2-OD1 3.28Å; R21-D61 IonicContact NH2-OD2 3.22Å; R21-D61 PolarHBondContact NH2-OD2 3.29Å; W59-D61 WeakPolarHBondContact CB-OD1 3.38Å; W59-D61 PolarHBondContact O-N 3.25Å; D61-S63 PolarHBondContact O-N 3.13Å; D61-T120 WeakPolarHBondContact O-CG2 3.39Å
62C96.1Very high95.5Very high0 Ų052 Ų520%023%0.229CC..  trans-61.3121.6177.6-1730000110.7T58 W59 R60 T120 L121T58-C62 HydrophobicContact CG2-CB 3.95Å; T58-C62 WeakPolarHBondContact OG1-CB 3.4Å; T58-C62 PolarHBondContact OG1-SG 3.35Å; W59-C62 WeakPolarHBondContact O-CB 3.26Å; W59-C62 PolarHBondContact O-N 3.04Å; W59-C62 VanDerWaalsContact O-N 3.08Å; R60-C62 PolarHBondContact O-N 3.38Å; C62-T120 CarbonylContact O-C 3.51Å; C62-T120 WeakPolarHBondContact O-CA 3.22Å; C62-L121 HydrophobicContact CB-CD1 4.1Å; C62-L121 HydrophobicContact CB-CG 4.36Å; C62-L121 PolarHBondContact O-N 3.16Å
63S95.9Very high95.5Very high5 Ų556.9 Ų56.94%0.03525%0.248CC..BIsolated β-bridgetrans-79.3154.5179.457.80000112.6D61 R65 E66 L67 K119D61-S63 PolarHBondContact O-N 3.13Å; S63-R65 PolarHBondContact O-N 3.17Å; S63-E66 PolarHBondContact N-OE1 3.22Å; S63-E66 WeakPolarHBondContact O-CB 3.44Å; S63-E66 PolarHBondContact O-N 2.73Å; S63-E66 WeakPolarHBondContact OG-CG 2.86Å; S63-E66 PolarHBondContact OG-N 2.83Å; S63-E66 PolarHBondContact OG-OE1 3.06Å; S63-L67 PolarHBondContact O-N 2.78Å; S63-K119 CarbonylContact C-O 3.45Å; S63-K119 WeakPolarHBondContact CA-O 3.3Å
64L96.5Very high95.4Very high0 Ų058.4 Ų58.40%026%0.261CS..Hα-helixtrans-58.8-32.6171.7-62.7-171.6000111.5L67 T68 F87 I104 T107 D116 K119L64-L67 HydrophobicContact CD2-CD1 4.17Å; L64-L67 PolarHBondContact O-N 2.8Å; L64-T68 WeakPolarHBondContact O-CB 3.1Å; L64-T68 PolarHBondContact O-N 2.65Å; L64-T68 PolarHBondContact O-OG1 2.69Å; L64-F87 HydrophobicContact CB-CD2 4.36Å; L64-F87 HydrophobicContact CB-CE2 4.26Å; L64-F87 HydrophobicContact CD1-CB 4.45Å; L64-F87 HydrophobicContact CD1-CD2 4.04Å; L64-F87 HydrophobicContact CD1-CG 4.35Å; L64-F87 HydrophobicContact CD2-CB 4.16Å; L64-F87 HydrophobicContact CD2-CD1 4.08Å; L64-F87 HydrophobicContact CD2-CD2 4.22Å; L64-F87 HydrophobicContact CD2-CG 3.89Å; L64-F87 HydrophobicContact CG-CD2 4.45Å; L64-I104 HydrophobicContact CD1-CG2 4.2Å; L64-I104 HydrophobicContact CD2-CG2 4.47Å; L64-T107 HydrophobicContact CB-CG2 3.71Å; L64-D116 HydrophobicContact CD1-CB 4.07Å; L64-K119 HydrophobicContact CD1-CB 4.31Å; L64-K119 HydrophobicContact CG-CB 4.38Å; L64-K119 PolarHBondContact N-O 2.95Å
65R95.4Very high95.2Very high91 Ų9158.1 Ų58.134%0.34326%0.259SS..Hα-helixtrans-61.2-41.6171.3-178.3179.466.3-162.6-8.7112.7S63 T68 R69 D117 D118S63-R65 PolarHBondContact O-N 3.17Å; R65-T68 WeakPolarHBondContact O-CB 3.31Å; R65-T68 PolarHBondContact O-N 3.29Å; R65-R69 WeakPolarHBondContact O-CG 3.45Å; R65-R69 PolarHBondContact O-N 2.92Å; R65-D117 HydrophobicContact CB-CB 4.22Å; R65-D117 WeakPolarHBondContact CB-O 3.3Å; R65-D117 PolarHBondContact N-O 2.92Å; R65-D118 IonicContact CZ-OD1 3.43Å; R65-D118 IonicContact NH1-OD1 2.81Å; R65-D118 PolarHBondContact NH1-OD1 3.04Å; R65-D118 IonicContact NH2-OD1 3.14Å; R65-D118 PolarHBondContact NH2-OD1 3.22Å
66E95.6Very high94.9Very high47 Ų4755.6 Ų55.622%0.2225%0.253CS..Hα-helixtrans-64.2-45.8175.1-81.6170.7-99.900111.7R21 S63 T68 R69 L70R21-E66 IonicContact CZ-OE2 3.44Å; R21-E66 IonicContact NH1-OE2 2.91Å; R21-E66 PolarHBondContact NH1-OE2 2.81Å; R21-E66 IonicContact NH2-OE1 3.69Å; R21-E66 PolarHBondContact NH2-OE1 2.89Å; R21-E66 IonicContact NH2-OE2 3.49Å; R21-E66 PolarHBondContact NH2-OE2 2.77Å; R21-E66 VanDerWaalsContact NH2-OE2 3.14Å; S63-E66 PolarHBondContact N-OE1 3.22Å; S63-E66 WeakPolarHBondContact O-CB 3.44Å; S63-E66 PolarHBondContact O-N 2.73Å; S63-E66 WeakPolarHBondContact OG-CG 2.86Å; S63-E66 PolarHBondContact OG-N 2.83Å; S63-E66 PolarHBondContact OG-OE1 3.06Å; E66-T68 VanDerWaalsContact C-N 3.3Å; E66-T68 PolarHBondContact O-N 3.3Å; E66-R69 WeakPolarHBondContact O-CB 3.35Å; E66-R69 PolarHBondContact O-N 3.11Å; E66-R69 VanDerWaalsContact O-N 3.14Å; E66-L70 PolarHBondContact O-N 3.36Å; E66-L70 VanDerWaalsContact O-N 3.11Å
67L96.5Very high94.5Very high0 Ų059 Ų590%027%0.269CS..Hα-helixtrans-58.1-44.2173.8-67.4177.2000111.5L31 I56 S63 L64 R69 L70 I71 F87 L121 I132L31-L67 HydrophobicContact CD1-CD2 4.33Å; I56-L67 HydrophobicContact CD1-CD2 3.94Å; I56-L67 HydrophobicContact CG2-CD2 4.38Å; S63-L67 PolarHBondContact O-N 2.78Å; L64-L67 HydrophobicContact CD2-CD1 4.17Å; L64-L67 PolarHBondContact O-N 2.8Å; L67-R69 VanDerWaalsContact C-N 3.31Å; L67-R69 PolarHBondContact O-N 2.86Å; L67-L70 WeakPolarHBondContact O-CB 3.38Å; L67-L70 PolarHBondContact O-N 2.8Å; L67-L70 VanDerWaalsContact O-N 3.11Å; L67-I71 VanDerWaalsContact O-CG1 3.31Å; L67-I71 WeakPolarHBondContact O-CG1 3.42Å; L67-I71 PolarHBondContact O-N 2.67Å; L67-F87 HydrophobicContact CB-CE1 3.86Å; L67-F87 HydrophobicContact CB-CZ 4.35Å; L67-F87 HydrophobicContact CD1-CD1 4.41Å; L67-F87 HydrophobicContact CD1-CE1 4.26Å; L67-L121 HydrophobicContact CD1-CD2 4.15Å; L67-I132 HydrophobicContact CD1-CD1 3.84Å
68T95.4Very high94.3Very high12 Ų1252.8 Ų52.87%0.07424%0.241CC..Hα-helixtrans-58.8-41.4176.4-54.30000111.9L64 R65 E66 L70 I71 K72 F87 T107 I109L64-T68 WeakPolarHBondContact O-CB 3.1Å; L64-T68 PolarHBondContact O-N 2.65Å; L64-T68 PolarHBondContact O-OG1 2.69Å; R65-T68 WeakPolarHBondContact O-CB 3.31Å; R65-T68 PolarHBondContact O-N 3.29Å; E66-T68 VanDerWaalsContact C-N 3.3Å; E66-T68 PolarHBondContact O-N 3.3Å; T68-L70 VanDerWaalsContact C-N 3.31Å; T68-L70 PolarHBondContact O-N 3.07Å; T68-I71 PolarHBondContact O-N 2.76Å; T68-K72 WeakPolarHBondContact O-CB 2.91Å; T68-K72 PolarHBondContact O-N 3.4Å; T68-F87 VanDerWaalsContact OG1-CZ 3.31Å; T68-F87 WeakPolarHBondContact OG1-CZ 3.48Å; T68-T107 WeakPolarHBondContact CG2-OG1 3.49Å; T68-T107 PolarHBondContact OG1-OG1 3.22Å; T68-I109 HydrophobicContact CG2-CD1 3.93Å; T68-I109 HydrophobicContact CG2-CG1 3.58Å
69R94.4Very high94.1Very high144 Ų14458.8 Ų58.854%0.54326%0.262SS..Hα-helixtrans-63.2-37.6176.7-73169.9-178.2174.80.8111.9R65 E66 L67 K73R65-R69 WeakPolarHBondContact O-CG 3.45Å; R65-R69 PolarHBondContact O-N 2.92Å; E66-R69 WeakPolarHBondContact O-CB 3.35Å; E66-R69 PolarHBondContact O-N 3.11Å; E66-R69 VanDerWaalsContact O-N 3.14Å; L67-R69 VanDerWaalsContact C-N 3.31Å; L67-R69 PolarHBondContact O-N 2.86Å; R69-K73 WeakPolarHBondContact O-CG 3.19Å; R69-K73 PolarHBondContact O-N 2.85Å
70L95.1Very high93.9Very high63 Ų6362.7 Ų62.733%0.3328%0.281SS..Hα-helixtrans-68.9-46.6176.3-65.9172000111.2I56 E66 L67 T68 K72 K73 T74I56-L70 HydrophobicContact CD1-CB 4.35Å; I56-L70 HydrophobicContact CD1-CD1 4.04Å; I56-L70 HydrophobicContact CG1-CD1 4.27Å; I56-L70 HydrophobicContact CG2-CD1 3.53Å; E66-L70 PolarHBondContact O-N 3.36Å; E66-L70 VanDerWaalsContact O-N 3.11Å; L67-L70 WeakPolarHBondContact O-CB 3.38Å; L67-L70 PolarHBondContact O-N 2.8Å; L67-L70 VanDerWaalsContact O-N 3.11Å; T68-L70 VanDerWaalsContact C-N 3.31Å; T68-L70 PolarHBondContact O-N 3.07Å; L70-K72 VanDerWaalsContact C-N 3.28Å; L70-K72 PolarHBondContact O-N 3.41Å; L70-K73 WeakPolarHBondContact O-CB 3.45Å; L70-K73 PolarHBondContact O-N 3.39Å; L70-T74 PolarHBondContact O-N 2.79Å; L70-T74 PolarHBondContact O-OG1 3.44Å
71I95.1Very high93.8Very high0 Ų064.4 Ų64.40%029%0.287CS..Hα-helixtrans-56.6-44.2175.6-68165.5000110.7L31 L54 L67 T68 K73 T74 I75 F87 V134 I136L31-I71 HydrophobicContact CD1-CD1 4.06Å; L31-I71 HydrophobicContact CD1-CG1 4.49Å; L31-I71 HydrophobicContact CD2-CD1 4.11Å; L31-I71 HydrophobicContact CD2-CG1 4.22Å; L54-I71 HydrophobicContact CD1-CG1 4.39Å; L67-I71 VanDerWaalsContact O-CG1 3.31Å; L67-I71 WeakPolarHBondContact O-CG1 3.42Å; L67-I71 PolarHBondContact O-N 2.67Å; T68-I71 PolarHBondContact O-N 2.76Å; I71-K73 VanDerWaalsContact C-N 3.25Å; I71-K73 PolarHBondContact O-N 2.99Å; I71-T74 PolarHBondContact O-N 3.14Å; I71-T74 VanDerWaalsContact O-N 3.17Å; I71-I75 HydrophobicContact CG2-CD1 4.2Å; I71-I75 PolarHBondContact O-N 3.45Å; I71-F87 HydrophobicContact CD1-CE1 3.9Å; I71-F87 HydrophobicContact CD1-CZ 4.19Å; I71-V134 HydrophobicContact CD1-CB 4.3Å; I71-V134 HydrophobicContact CD1-CG1 4.02Å; I71-V134 HydrophobicContact CD1-CG2 3.93Å; I71-I136 HydrophobicContact CG2-CD1 3.76Å; I71-I136 HydrophobicContact CG2-CG1 4.41Å
72K93.8Very high93.7Very high90 Ų9064.7 Ų64.739%0.39130%0.296SS..Hα-helixtrans-57.9-33.7176.5-172.4179177.9-176.40114T68 L70 S78 R79 I109T68-K72 WeakPolarHBondContact O-CB 2.91Å; T68-K72 PolarHBondContact O-N 3.4Å; L70-K72 VanDerWaalsContact C-N 3.28Å; L70-K72 PolarHBondContact O-N 3.41Å; K72-S78 VanDerWaalsContact CA-OG 3.31Å; K72-S78 WeakPolarHBondContact CA-OG 3.46Å; K72-R79 HydrophobicContact CG-CB 4.5Å; K72-R79 HydrophobicContact CG-CG 3.89Å; K72-R79 WeakPolarHBondContact O-CG 3.31Å; K72-R79 PolarHBondContact O-NE 2.91Å; K72-R79 VanDerWaalsContact O-NE 3.08Å; K72-I109 HydrophobicContact CD-CG2 4.18Å
73K93.8Very high93.6Very high152 Ų15264.7 Ų64.766%0.66130%0.296SS*.Hα-helixtrans-70.9-44.5177.9-71.8175.2179.7-176.80110.6R69 L70 I71 R79R69-K73 WeakPolarHBondContact O-CG 3.19Å; R69-K73 PolarHBondContact O-N 2.85Å; L70-K73 WeakPolarHBondContact O-CB 3.45Å; L70-K73 PolarHBondContact O-N 3.39Å; I71-K73 VanDerWaalsContact C-N 3.25Å; I71-K73 PolarHBondContact O-N 2.99Å; K73-R79 PolarHBondContact O-NH2 2.82Å
74T93.6Very high93.5Very high86 Ų8666.6 Ų66.653%0.52831%0.307SS..Hα-helixtrans-84.1-38.6-172.7-44.40000113.6L54 L70 I71 P76L54-T74 HydrophobicContact CD2-CG2 3.52Å; L70-T74 PolarHBondContact O-N 2.79Å; L70-T74 PolarHBondContact O-OG1 3.44Å; I71-T74 PolarHBondContact O-N 3.14Å; I71-T74 VanDerWaalsContact O-N 3.17Å; T74-P76 WeakPolarHBondContact O-CD 3.4Å
75I92.2Very high93.5Very high21 Ų2166.6 Ų66.611%0.10831%0.307CS..  trans-107.1107.1-172-58.4-177.2000109.9T33 L54 I71 E77 S78 I136T33-I75 VanDerWaalsContact CB-CD1 3.43Å; T33-I75 HydrophobicContact CG2-CD1 3.54Å; T33-I75 WeakPolarHBondContact OG1-CD1 3.41Å; L54-I75 HydrophobicContact CD1-CD1 4.06Å; L54-I75 HydrophobicContact CD1-CG1 4.38Å; I71-I75 HydrophobicContact CG2-CD1 4.2Å; I71-I75 PolarHBondContact O-N 3.45Å; I75-E77 VanDerWaalsContact C-N 3.28Å; I75-E77 HydrophobicContact CG2-CB 4.25Å; I75-E77 WeakPolarHBondContact CG2-OE2 3.23Å; I75-E77 PolarHBondContact O-N 2.99Å; I75-S78 PolarHBondContact O-N 2.87Å; I75-S78 PolarHBondContact O-OG 2.81Å; I75-I136 HydrophobicContact CB-CD1 4.38Å; I75-I136 HydrophobicContact CD1-CD1 3.58Å; I75-I136 HydrophobicContact CG2-CD1 3.98Å
76P91.4Very high93.5Very high70 Ų7063.9 Ų63.946%0.45530%0.302SS..G310 helixtrans-62.5-32.2-175.124.1-31.9000113.4T74 S78 R79T74-P76 WeakPolarHBondContact O-CD 3.4Å; P76-S78 PolarHBondContact O-N 3.11Å; P76-R79 WeakPolarHBondContact O-CB 3.31Å; P76-R79 WeakPolarHBondContact O-CG 3.26Å; P76-R79 PolarHBondContact O-N 3.1Å; P76-R79 VanDerWaalsContact O-N 3.13Å
77E88.5Confident93.7Very high85 Ų8561.7 Ų61.740%0.39729%0.292SS..G310 helixtrans-61.8-33.7-180-63.875.6-165.300111.9L35 I75 R79L35-E77 HydrophobicContact CD1-CG 4.27Å; L35-E77 HydrophobicContact CD2-CB 3.82Å; L35-E77 HydrophobicContact CD2-CG 4.12Å; I75-E77 VanDerWaalsContact C-N 3.28Å; I75-E77 HydrophobicContact CG2-CB 4.25Å; I75-E77 WeakPolarHBondContact CG2-OE2 3.23Å; I75-E77 PolarHBondContact O-N 2.99Å; E77-R79 PolarHBondContact O-N 2.91Å
78S90.8Very high93.7Very high0 Ų061.7 Ų61.70%029%0.292CS..G310 helixtrans-71.2-15.618071.30000113.3K72 I75 P76 K80 I109K72-S78 VanDerWaalsContact CA-OG 3.31Å; K72-S78 WeakPolarHBondContact CA-OG 3.46Å; I75-S78 PolarHBondContact O-N 2.87Å; I75-S78 PolarHBondContact O-OG 2.81Å; P76-S78 PolarHBondContact O-N 3.11Å; S78-K80 PolarHBondContact O-N 2.8Å; S78-K80 VanDerWaalsContact O-N 3.17Å; S78-I109 WeakPolarHBondContact O-CD1 3.5Å
79R93.1Very high93.8Very high131 Ų13161.1 Ų61.149%0.49429%0.288SS..G310 helixtrans-69.5-17.7-172.2-63.2174.7-177.2164.63.5114.4K72 K73 P76 E77K72-R79 HydrophobicContact CG-CB 4.5Å; K72-R79 HydrophobicContact CG-CG 3.89Å; K72-R79 WeakPolarHBondContact O-CG 3.31Å; K72-R79 PolarHBondContact O-NE 2.91Å; K72-R79 VanDerWaalsContact O-NE 3.08Å; K73-R79 PolarHBondContact O-NH2 2.82Å; P76-R79 WeakPolarHBondContact O-CB 3.31Å; P76-R79 WeakPolarHBondContact O-CG 3.26Å; P76-R79 PolarHBondContact O-N 3.1Å; P76-R79 VanDerWaalsContact O-N 3.13Å; E77-R79 PolarHBondContact O-N 2.91Å
80K91.5Very high94Very high135 Ų13554.3 Ų54.359%0.58726%0.263SS*.SBendtrans-62.2136.7179.8-64179.7-177.7175.60110.4S78 T83S78-K80 PolarHBondContact O-N 2.8Å; S78-K80 VanDerWaalsContact O-N 3.17Å; K80-T83 WeakPolarHBondContact O-CB 3.47Å; K80-T83 PolarHBondContact O-N 3.47Å; K80-T83 PolarHBondContact O-OG1 3.44Å
81R91.5Very high94Very high198 Ų19852.8 Ų52.875%0.74726%0.257SS*.THydrogen-bonded Turntrans-65.8138.9174-68-172.269.4-161.10.8109.5T83 I109 G110 P139R81-T83 VanDerWaalsContact C-N 3.31Å; R81-I109 CarbonylContact C-O 3.53Å; R81-I109 WeakPolarHBondContact CA-O 3.42Å; R81-G110 PolarHBondContact NH2-O 2.87Å; R81-G110 VanDerWaalsContact NH2-O 3.14Å; R81-P139 WeakPolarHBondContact O-CG 3.21Å
82G91.4Very high93.9Very high29 Ų2955.3 Ų55.330%0.29927%0.274SS..THydrogen-bonded Turntrans84.80.8-175.500000114T84 I109G82-T84 PolarHBondContact O-N 2.68Å; G82-I109 PolarHBondContact N-O 2.78Å
83T94.3Very high93.7Very high0 Ų052.4 Ų52.40%026%0.262CS..  trans-68125.9171.1-61.90000109.3K80 R81 I109 I136 V137K80-T83 WeakPolarHBondContact O-CB 3.47Å; K80-T83 PolarHBondContact O-N 3.47Å; K80-T83 PolarHBondContact O-OG1 3.44Å; R81-T83 VanDerWaalsContact C-N 3.31Å; T83-I109 HydrophobicContact CG2-CD1 4.43Å; T83-I109 PolarHBondContact O-N 2.95Å; T83-I136 HydrophobicContact CG2-CG2 3.61Å; T83-V137 CarbonylContact C-O 3.57Å; T83-V137 WeakPolarHBondContact CA-O 3.39Å
84T94.6Very high93.2Very high44 Ų4451.9 Ų51.927%0.2727%0.267SS..EExtended strand (participates in β ladder)trans-93.2129.8176.3-550000109.4G82 T107 V108 V137G82-T84 PolarHBondContact O-N 2.68Å; T84-T107 CarbonylContact C-O 3.52Å; T84-T107 WeakPolarHBondContact CA-O 3.26Å; T84-V108 HydrophobicContact CG2-CG2 4.36Å; T84-V137 PolarHBondContact N-O 2.96Å; T84-V137 PolarHBondContact O-N 3.22Å
85C95.5Very high92.9Very high0 Ų059.3 Ų59.30%029%0.285CS..EExtended strand (participates in β ladder)trans-105.2109.1170-66.90000108F87 S106 T107 V134 A135C85-F87 HydrophobicContact CB-CE2 3.65Å; C85-F87 HydrophobicContact CB-CZ 3.86Å; C85-F87 VanDerWaalsContact O-CD2 3.31Å; C85-F87 WeakPolarHBondContact O-CD2 3.49Å; C85-F87 VanDerWaalsContact O-CE2 3.26Å; C85-F87 WeakPolarHBondContact O-CE2 3.31Å; C85-S106 CarbonylContact O-C 3.51Å; C85-S106 WeakPolarHBondContact O-CA 3.47Å; C85-S106 WeakPolarHBondContact O-CB 3.45Å; C85-T107 PolarHBondContact N-O 3.14Å; C85-T107 PolarHBondContact O-N 3.46Å; C85-V134 HydrophobicContact CB-CG1 3.97Å; C85-A135 WeakPolarHBondContact CA-O 3.04Å
86S96.5Very high92.5Very high35 Ų3560.7 Ų60.725%0.24530%0.3CS..EExtended strand (participates in β ladder)trans-91.7128.2173.9-179.70000109.5H38 V134 A135H38-S86 PolarHBondContact CE1-O 2.82Å; H38-S86 PolarHBondContact NE2-OG 3.31Å; S86-V134 CarbonylContact O-C 3.52Å; S86-V134 VanDerWaalsContact O-CA 3.23Å; S86-V134 WeakPolarHBondContact O-CA 3.17Å; S86-V134 WeakPolarHBondContact O-CG1 3.47Å; S86-A135 PolarHBondContact N-O 2.72Å; S86-A135 PolarHBondContact O-N 3.13Å
87F97.9Very high92.3Very high0 Ų063.6 Ų63.60%031%0.309CS..EExtended strand (participates in β ladder)trans-109.2130-175.6-63.2-95.3000111.1L64 L67 T68 I71 C85 I104 G105 T107 I132 V134L64-F87 HydrophobicContact CB-CD2 4.36Å; L64-F87 HydrophobicContact CB-CE2 4.26Å; L64-F87 HydrophobicContact CD1-CB 4.45Å; L64-F87 HydrophobicContact CD1-CD2 4.04Å; L64-F87 HydrophobicContact CD1-CG 4.35Å; L64-F87 HydrophobicContact CD2-CB 4.16Å; L64-F87 HydrophobicContact CD2-CD1 4.08Å; L64-F87 HydrophobicContact CD2-CD2 4.22Å; L64-F87 HydrophobicContact CD2-CG 3.89Å; L64-F87 HydrophobicContact CG-CD2 4.45Å; L67-F87 HydrophobicContact CB-CE1 3.86Å; L67-F87 HydrophobicContact CB-CZ 4.35Å; L67-F87 HydrophobicContact CD1-CD1 4.41Å; L67-F87 HydrophobicContact CD1-CE1 4.26Å; T68-F87 VanDerWaalsContact OG1-CZ 3.31Å; T68-F87 WeakPolarHBondContact OG1-CZ 3.48Å; I71-F87 HydrophobicContact CD1-CE1 3.9Å; I71-F87 HydrophobicContact CD1-CZ 4.19Å; C85-F87 HydrophobicContact CB-CE2 3.65Å; C85-F87 HydrophobicContact CB-CZ 3.86Å; C85-F87 VanDerWaalsContact O-CD2 3.31Å; C85-F87 WeakPolarHBondContact O-CD2 3.49Å; C85-F87 VanDerWaalsContact O-CE2 3.26Å; C85-F87 WeakPolarHBondContact O-CE2 3.31Å; F87-I104 HydrophobicContact CB-CB 4.39Å; F87-I104 HydrophobicContact CB-CD1 4.19Å; F87-I104 PolarHBondContact O-N 3.01Å; F87-G105 PolarHBondContact N-O 3.03Å; F87-G105 PolarHBondContact O-N 2.85Å; F87-T107 HydrophobicContact CE2-CG2 3.88Å; F87-I132 HydrophobicContact CD1-CG2 4.18Å; F87-V134 HydrophobicContact CD1-CG1 4.31Å; F87-V134 HydrophobicContact CD1-CG2 3.55Å; F87-V134 HydrophobicContact CE1-CG1 4.13Å; F87-V134 HydrophobicContact CE1-CG2 3.7Å; F87-V134 HydrophobicContact CG-CG2 4.43Å; F87-V134 HydrophobicContact CZ-CG1 4.36Å
88A98Very high92.3Very high0 Ų063.1 Ų63.10%031%0.312CS..EExtended strand (participates in β ladder)trans-127.2144.8171.700000110.5R102 I132 D133A88-R102 CarbonylContact C-O 3.58Å; A88-R102 WeakPolarHBondContact CA-O 3.3Å; A88-I132 CarbonylContact O-C 3.52Å; A88-I132 WeakPolarHBondContact O-CA 3.37Å; A88-D133 PolarHBondContact N-O 3.45Å; A88-D133 PolarHBondContact O-N 2.83Å
89I97.9Very high92.5Very high0 Ų064.4 Ų64.40%032%0.317CS..EExtended strand (participates in β ladder)trans-90.4130.8167-81.9158.8000108.4S91 S101 R102 I104 A124 F126 D130 Y131I89-S91 VanDerWaalsContact CG2-OG 3.28Å; I89-S91 WeakPolarHBondContact CG2-OG 3.32Å; I89-S101 CarbonylContact O-C 3.56Å; I89-S101 WeakPolarHBondContact O-CA 3.5Å; I89-R102 PolarHBondContact N-O 3.38Å; I89-R102 PolarHBondContact O-N 3.32Å; I89-I104 HydrophobicContact CB-CD1 4.35Å; I89-I104 HydrophobicContact CB-CG1 4.41Å; I89-I104 HydrophobicContact CD1-CD1 3.57Å; I89-I104 HydrophobicContact CD1-CG1 3.84Å; I89-I104 HydrophobicContact CG1-CD1 3.44Å; I89-I104 VanDerWaalsContact CG1-CD1 3.44Å; I89-I104 HydrophobicContact CG1-CG1 3.92Å; I89-A124 HydrophobicContact CD1-CB 4.02Å; I89-F126 HydrophobicContact CD1-CB 3.99Å; I89-F126 HydrophobicContact CD1-CD2 4.08Å; I89-F126 HydrophobicContact CG1-CD2 4.04Å; I89-D130 HydrophobicContact CG2-CB 4.02Å; I89-Y131 WeakPolarHBondContact CA-O 3.35Å
90I97.2Very high92.6Very high2 Ų265.6 Ų65.61%0.0132%0.322CS..EExtended strand (participates in β ladder)trans-108.8103.7172.7-49.3-57.8000107.4M41 Y44 F99 R100 S101 Y131 D133M41-I90 HydrophobicContact CE-CG2 4.05Å; M41-I90 HydrophobicContact SD-CD1 4.41Å; M41-I90 HydrophobicContact SD-CG2 4.49Å; Y44-I90 HydrophobicContact CD1-CG2 3.96Å; Y44-I90 HydrophobicContact CD2-CG2 4.12Å; Y44-I90 HydrophobicContact CE1-CG1 4.32Å; Y44-I90 HydrophobicContact CE1-CG2 4.29Å; Y44-I90 HydrophobicContact CE2-CD1 4.46Å; Y44-I90 HydrophobicContact CE2-CG1 4.18Å; Y44-I90 HydrophobicContact CE2-CG2 4.44Å; Y44-I90 HydrophobicContact CG-CG2 3.87Å; I90-F99 HydrophobicContact CG2-CB 3.84Å; I90-F99 HydrophobicContact CG2-CD1 3.9Å; I90-F99 HydrophobicContact CG2-CG 4.23Å; I90-R100 WeakPolarHBondContact CA-O 3.21Å; I90-S101 WeakPolarHBondContact CD1-OG 3.44Å; I90-Y131 PolarHBondContact N-O 2.68Å; I90-Y131 PolarHBondContact O-N 2.8Å; I90-D133 HydrophobicContact CD1-CB 4.06Å; I90-D133 HydrophobicContact CG1-CB 3.75Å
91S95.5Very high92.8Very high30 Ų3062.1 Ų62.121%0.2132%0.315CS..EExtended strand (participates in β ladder)trans-99.2136.3-178.3-64.40000110.8I89 F99 R100 D130I89-S91 VanDerWaalsContact CG2-OG 3.28Å; I89-S91 WeakPolarHBondContact CG2-OG 3.32Å; S91-F99 CarbonylContact O-C 3.57Å; S91-F99 VanDerWaalsContact O-CA 3.3Å; S91-F99 WeakPolarHBondContact O-CA 3.33Å; S91-R100 PolarHBondContact N-O 3.21Å; S91-R100 PolarHBondContact O-N 2.98Å; S91-D130 WeakPolarHBondContact CA-OD1 3.27Å; S91-D130 WeakPolarHBondContact CB-OD1 3.47Å; S91-D130 VanDerWaalsContact OG-CG 3.26Å; S91-D130 PolarHBondContact OG-OD1 3.36Å
92P93.7Very high93Very high53 Ų5357.3 Ų57.334%0.34430%0.296SS..EExtended strand (participates in β ladder)trans-66.9133165.428.7-31.7000109.8F99P92-F99 HydrophobicContact CB-CD1 4.11Å; P92-F99 HydrophobicContact CB-CE1 3.75Å; P92-F99 HydrophobicContact CB-CZ 4.2Å; P92-F99 HydrophobicContact CG-CE1 4.39Å
93D89.5Confident93.3Very high29 Ų2961.5 Ų61.516%0.15531%0.312CS..EExtended strand (participates in β ladder)trans-100.4102.5167.9-180-3.4000108.9R95 A96 M97 V98 R100D93-R95 PolarHBondContact O-N 2.82Å; D93-R95 WeakPolarHBondContact OD1-CB 3.43Å; D93-R95 PolarHBondContact OD1-N 2.9Å; D93-A96 HydrophobicContact CB-CB 4.39Å; D93-A96 PolarHBondContact O-N 2.85Å; D93-A96 PolarHBondContact OD1-N 3.49Å; D93-A96 VanDerWaalsContact OD2-CB 3.3Å; D93-A96 WeakPolarHBondContact OD2-CB 3.38Å; D93-M97 WeakPolarHBondContact O-CA 3.33Å; D93-M97 PolarHBondContact O-N 3.39Å; D93-V98 WeakPolarHBondContact CA-O 3.43Å; D93-V98 HydrophobicContact CB-CG2 4.48Å; D93-V98 VanDerWaalsContact CB-O 3.3Å; D93-V98 WeakPolarHBondContact CB-O 3.42Å; D93-V98 PolarHBondContact N-O 3.06Å; D93-R100 HydrophobicContact CB-CG 4.34Å; D93-R100 IonicContact OD2-CZ 3.04Å; D93-R100 IonicContact OD2-NE 2.84Å; D93-R100 PolarHBondContact OD2-NE 3.24Å; D93-R100 IonicContact OD2-NH2 2.64Å; D93-R100 PolarHBondContact OD2-NH2 2.79Å
94D83.6Confident93.3Very high141 Ų14161.9 Ų61.975%0.75431%0.314SS*.THydrogen-bonded Turntrans-58.6-29.6-178.7-67.3-34.2000113
95R86.5Confident93.4Very high242 Ų24260.5 Ų60.591%0.91331%0.308SS*.THydrogen-bonded Turntrans-78.2-42.2-177.1-62.2-177.8-178.5-170.70.4111.6D93D93-R95 PolarHBondContact O-N 2.82Å; D93-R95 WeakPolarHBondContact OD1-CB 3.43Å; D93-R95 PolarHBondContact OD1-N 2.9Å
96A84.6Confident93.3Very high50 Ų5062.6 Ų62.641%0.41332%0.323SS..THydrogen-bonded Turntrans-94.4-6.3-17600000113D93 V98D93-A96 HydrophobicContact CB-CB 4.39Å; D93-A96 PolarHBondContact O-N 2.85Å; D93-A96 PolarHBondContact OD1-N 3.49Å; D93-A96 VanDerWaalsContact OD2-CB 3.3Å; D93-A96 WeakPolarHBondContact OD2-CB 3.38Å; A96-V98 HydrophobicContact CB-CG2 3.67Å; A96-V98 PolarHBondContact O-N 2.99Å; A96-V98 VanDerWaalsContact O-N 3.1Å
97M85.4Confident93.3Very high132 Ų13261 Ų6165%0.6531%0.312SS*.THydrogen-bonded Turntrans54.626.7-176.8-65-77.4-83.100112.8D93D93-M97 WeakPolarHBondContact O-CA 3.33Å; D93-M97 PolarHBondContact O-N 3.39Å
98V90.3Very high93.2Very high75 Ų7562.5 Ų62.546%0.45532%0.321SS..EExtended strand (participates in β ladder)trans-121.6159.8176.5-63.20000109D93 A96D93-V98 WeakPolarHBondContact CA-O 3.43Å; D93-V98 HydrophobicContact CB-CG2 4.48Å; D93-V98 VanDerWaalsContact CB-O 3.3Å; D93-V98 WeakPolarHBondContact CB-O 3.42Å; D93-V98 PolarHBondContact N-O 3.06Å; A96-V98 HydrophobicContact CB-CG2 3.67Å; A96-V98 PolarHBondContact O-N 2.99Å; A96-V98 VanDerWaalsContact O-N 3.1Å
99F94.3Very high92.9Very high27 Ų2762.9 Ų62.912%0.11832%0.323CS..EExtended strand (participates in β ladder)trans-86.1157166.9-71.7-97.8000109.3M41 G45 I90 S91 P92 Y131M41-F99 HydrophobicContact CE-CB 3.34Å; M41-F99 WeakPolarHBondContact CE-O 3.47Å; G45-F99 VanDerWaalsContact C-CE2 3.45Å; I90-F99 HydrophobicContact CG2-CB 3.84Å; I90-F99 HydrophobicContact CG2-CD1 3.9Å; I90-F99 HydrophobicContact CG2-CG 4.23Å; S91-F99 CarbonylContact O-C 3.57Å; S91-F99 VanDerWaalsContact O-CA 3.3Å; S91-F99 WeakPolarHBondContact O-CA 3.33Å; P92-F99 HydrophobicContact CB-CD1 4.11Å; P92-F99 HydrophobicContact CB-CE1 3.75Å; P92-F99 HydrophobicContact CB-CZ 4.2Å; P92-F99 HydrophobicContact CG-CE1 4.39Å; F99-Y131 HydrophobicContact CD1-CD2 4.44Å; F99-Y131 HydrophobicContact CD1-CE2 4.3Å; F99-Y131 HydrophobicContact CE1-CD2 4.03Å; F99-Y131 AromaticContact CE1-CE2 3.49Å; F99-Y131 HydrophobicContact CE1-CE2 3.49Å; F99-Y131 VanDerWaalsContact CE1-CE2 3.49Å; F99-Y131 AromaticContact CZ-CE2 3.97Å; F99-Y131 HydrophobicContact CZ-CE2 3.97Å
100R94.4Very high92.5Very high156 Ų15664.6 Ų64.659%0.58934%0.341SS*.EExtended strand (participates in β ladder)trans-127134.6170.8-63.1-175.6-174.5-156.41.1110M41 I90 S91 D93M41-R100 VanDerWaalsContact CE-C 3.41Å; I90-R100 WeakPolarHBondContact CA-O 3.21Å; S91-R100 PolarHBondContact N-O 3.21Å; S91-R100 PolarHBondContact O-N 2.98Å; D93-R100 HydrophobicContact CB-CG 4.34Å; D93-R100 IonicContact OD2-CZ 3.04Å; D93-R100 IonicContact OD2-NE 2.84Å; D93-R100 PolarHBondContact OD2-NE 3.24Å; D93-R100 IonicContact OD2-NH2 2.64Å; D93-R100 PolarHBondContact OD2-NH2 2.79Å
101S95.7Very high92Very high62 Ų6270.4 Ų70.443%0.43437%0.368SS..EExtended strand (participates in β ladder)trans-89.9141.5173.1-173.10000110.5I89 I90I89-S101 CarbonylContact O-C 3.56Å; I89-S101 WeakPolarHBondContact O-CA 3.5Å; I90-S101 WeakPolarHBondContact CD1-OG 3.44Å
102R96.4Very high91.2Very high97 Ų9774.5 Ų74.537%0.36639%0.394SS..EExtended strand (participates in β ladder)trans-140.2119.2173.6177.41746092.2-6.7110A88 I89 A124A88-R102 CarbonylContact C-O 3.58Å; A88-R102 WeakPolarHBondContact CA-O 3.3Å; I89-R102 PolarHBondContact N-O 3.38Å; I89-R102 PolarHBondContact O-N 3.32Å; R102-A124 PolarHBondContact NH1-O 2.64Å; R102-A124 PolarHBondContact NH2-O 2.84Å
103D96.4Very high90.6Very high116 Ų11675.3 Ų75.362%0.6241%0.412SS*.EExtended strand (participates in β ladder)trans-67.9138.2177.6-58.9-30.2000111.2
104I95.4Very high90.4Very high9 Ų975.3 Ų75.35%0.04641%0.413CS..EExtended strand (participates in β ladder)trans-105.1-47.1179.2-50.7168.2000110.4L64 F87 I89 K119 A124L64-I104 HydrophobicContact CD1-CG2 4.2Å; L64-I104 HydrophobicContact CD2-CG2 4.47Å; F87-I104 HydrophobicContact CB-CB 4.39Å; F87-I104 HydrophobicContact CB-CD1 4.19Å; F87-I104 PolarHBondContact O-N 3.01Å; I89-I104 HydrophobicContact CB-CD1 4.35Å; I89-I104 HydrophobicContact CB-CG1 4.41Å; I89-I104 HydrophobicContact CD1-CD1 3.57Å; I89-I104 HydrophobicContact CD1-CG1 3.84Å; I89-I104 HydrophobicContact CG1-CD1 3.44Å; I89-I104 VanDerWaalsContact CG1-CD1 3.44Å; I89-I104 HydrophobicContact CG1-CG1 3.92Å; I104-K119 HydrophobicContact CG2-CD 3.93Å; I104-K119 PolarHBondContact O-NZ 3.2Å; I104-A124 HydrophobicContact CD1-CB 4.28Å; I104-A124 HydrophobicContact CG1-CB 4.31Å; I104-A124 HydrophobicContact CG2-CB 3.44Å; I104-A124 VanDerWaalsContact CG2-CB 3.44Å
105G95.6Very high90.6Very high15 Ų1577.6 Ų77.616%0.15542%0.421CS..EExtended strand (participates in β ladder)trans158-178.5-170.300000111.6F87 D116F87-G105 PolarHBondContact N-O 3.03Å; F87-G105 PolarHBondContact O-N 2.85Å; G105-D116 WeakPolarHBondContact CA-OD2 3.47Å
106S95.4Very high91Very high43 Ų4368.1 Ų68.130%0.30139%0.388SS..EExtended strand (participates in β ladder)trans-140.5149.4-177.666.30000113C85 T114 D116C85-S106 CarbonylContact O-C 3.51Å; C85-S106 WeakPolarHBondContact O-CA 3.47Å; C85-S106 WeakPolarHBondContact O-CB 3.45Å; S106-T114 PolarHBondContact O-OG1 2.71Å; S106-D116 PolarHBondContact N-OD2 2.78Å; S106-D116 WeakPolarHBondContact O-CB 3.43Å
107T95.9Very high91.5Very high2 Ų266.1 Ų66.11%0.01237%0.371CS..EExtended strand (participates in β ladder)trans-120.6156.2175.566.90000110.3L64 T68 T84 C85 F87 D117L64-T107 HydrophobicContact CB-CG2 3.71Å; T68-T107 WeakPolarHBondContact CG2-OG1 3.49Å; T68-T107 PolarHBondContact OG1-OG1 3.22Å; T84-T107 CarbonylContact C-O 3.52Å; T84-T107 WeakPolarHBondContact CA-O 3.26Å; C85-T107 PolarHBondContact N-O 3.14Å; C85-T107 PolarHBondContact O-N 3.46Å; F87-T107 HydrophobicContact CE2-CG2 3.88Å; T107-D117 WeakPolarHBondContact CG2-OD1 3.45Å
108V95.2Very high92Very high31 Ų3164.8 Ų64.819%0.18837%0.366CS..EExtended strand (participates in β ladder)trans-120.7121.7178.3-177.50000110.5T84 G110 Q111 T114T84-V108 HydrophobicContact CG2-CG2 4.36Å; V108-G110 PolarHBondContact O-N 2.65Å; V108-Q111 HydrophobicContact CB-CB 4.27Å; V108-Q111 HydrophobicContact CG1-CB 4.02Å; V108-Q111 PolarHBondContact O-N 3.19Å; V108-T114 HydrophobicContact CB-CG2 4.03Å; V108-T114 HydrophobicContact CG2-CG2 4.05Å
109I92.9Very high92.2Very high8 Ų864.3 Ų64.34%0.04136%0.358CS..THydrogen-bonded Turntrans-70.2122.4-177.3-67.9174.9000110.1T68 K72 S78 R81 G82 T83T68-I109 HydrophobicContact CG2-CD1 3.93Å; T68-I109 HydrophobicContact CG2-CG1 3.58Å; K72-I109 HydrophobicContact CD-CG2 4.18Å; S78-I109 WeakPolarHBondContact O-CD1 3.5Å; R81-I109 CarbonylContact C-O 3.53Å; R81-I109 WeakPolarHBondContact CA-O 3.42Å; G82-I109 PolarHBondContact N-O 2.78Å; T83-I109 HydrophobicContact CG2-CD1 4.43Å; T83-I109 PolarHBondContact O-N 2.95Å
110G89Confident92.3Very high37 Ų3764 Ų6438%0.38136%0.359SS..THydrogen-bonded Turntrans83.98.9178.900000114.8R81 V108R81-G110 PolarHBondContact NH2-O 2.87Å; R81-G110 VanDerWaalsContact NH2-O 3.14Å; V108-G110 PolarHBondContact O-N 2.65Å
111Q87.2Confident92.4Very high124 Ų12456.7 Ų56.758%0.57933%0.331SS*.  trans-128.786.7168-178174.6-16.900108.6V108V108-Q111 HydrophobicContact CB-CB 4.27Å; V108-Q111 HydrophobicContact CG1-CB 4.02Å; V108-Q111 PolarHBondContact O-N 3.19Å
112P78.3Confident92.4Very high116 Ų11656.1 Ų56.175%0.75333%0.33SS*.  trans-68.2147.8176.629.7-33.8000110.8
113G80.2Confident92.3Very high70 Ų7055.7 Ų55.772%0.72234%0.335SS*.  trans98.326.2176.200000113.6D117G113-D117 PolarHBondContact N-OD2 3.11Å
114T84.8Confident92.3Very high29 Ų2950.2 Ų50.218%0.17831%0.306CS..  trans-69.2152.2165.278.40000109.5S106 V108 D116 D117S106-T114 PolarHBondContact O-OG1 2.71Å; V108-T114 HydrophobicContact CB-CG2 4.03Å; V108-T114 HydrophobicContact CG2-CG2 4.05Å; T114-D116 PolarHBondContact O-N 2.94Å; T114-D116 VanDerWaalsContact O-N 3.14Å; T114-D117 PolarHBondContact N-OD2 2.86Å; T114-D117 PolarHBondContact O-N 2.71Å; T114-D117 PolarHBondContact OG1-N 3.24Å; T114-D117 PolarHBondContact OG1-OD1 3.38Å
115M89.4Confident92.3Very high188 Ų18859.6 Ų59.693%0.92634%0.341SS*.THydrogen-bonded Turntrans-60.5-25.7-176.4-66.2-179.570.600113.2
116D94.9Very high92.3Very high43 Ų4359.7 Ų59.723%0.2334%0.337CS..THydrogen-bonded Turntrans-99.2-2.5-176.5-59.1-48.2000113.6L64 G105 S106 T114 D118 K119L64-D116 HydrophobicContact CD1-CB 4.07Å; G105-D116 WeakPolarHBondContact CA-OD2 3.47Å; S106-D116 PolarHBondContact N-OD2 2.78Å; S106-D116 WeakPolarHBondContact O-CB 3.43Å; T114-D116 PolarHBondContact O-N 2.94Å; T114-D116 VanDerWaalsContact O-N 3.14Å; D116-D118 VanDerWaalsContact C-N 3.3Å; D116-D118 PolarHBondContact O-N 3.28Å; D116-K119 VanDerWaalsContact O-CB 3.27Å; D116-K119 WeakPolarHBondContact O-CB 3.47Å; D116-K119 PolarHBondContact O-N 3.28Å; D116-K119 VanDerWaalsContact O-N 3.11Å
117D94.9Very high92.3Very high8 Ų862.1 Ų62.14%0.04335%0.35CS..THydrogen-bonded Turntrans-56.7-43.2-176.2-81.8-13.3000112.3R65 T107 G113 T114R65-D117 HydrophobicContact CB-CB 4.22Å; R65-D117 WeakPolarHBondContact CB-O 3.3Å; R65-D117 PolarHBondContact N-O 2.92Å; T107-D117 WeakPolarHBondContact CG2-OD1 3.45Å; G113-D117 PolarHBondContact N-OD2 3.11Å; T114-D117 PolarHBondContact N-OD2 2.86Å; T114-D117 PolarHBondContact O-N 2.71Å; T114-D117 PolarHBondContact OG1-N 3.24Å; T114-D117 PolarHBondContact OG1-OD1 3.38Å
118D94.7Very high92.2Very high104 Ų10466.7 Ų66.756%0.55638%0.378SS*.THydrogen-bonded Turntrans-91.60.4-177-62.6-46.7000112.8R65 D116 T120R65-D118 IonicContact CZ-OD1 3.43Å; R65-D118 IonicContact NH1-OD1 2.81Å; R65-D118 PolarHBondContact NH1-OD1 3.04Å; R65-D118 IonicContact NH2-OD1 3.14Å; R65-D118 PolarHBondContact NH2-OD1 3.22Å; D116-D118 VanDerWaalsContact C-N 3.3Å; D116-D118 PolarHBondContact O-N 3.28Å; D118-T120 PolarHBondContact O-N 3.01Å
119K95.6Very high92.2Very high65 Ų6567.4 Ų67.428%0.28339%0.392SS..  trans-66127.2175.3-170.3170.3-174.9169.70109.6S63 L64 I104 D116 D123S63-K119 CarbonylContact C-O 3.45Å; S63-K119 WeakPolarHBondContact CA-O 3.3Å; L64-K119 HydrophobicContact CD1-CB 4.31Å; L64-K119 HydrophobicContact CG-CB 4.38Å; L64-K119 PolarHBondContact N-O 2.95Å; I104-K119 HydrophobicContact CG2-CD 3.93Å; I104-K119 PolarHBondContact O-NZ 3.2Å; D116-K119 VanDerWaalsContact O-CB 3.27Å; D116-K119 WeakPolarHBondContact O-CB 3.47Å; D116-K119 PolarHBondContact O-N 3.28Å; D116-K119 VanDerWaalsContact O-N 3.11Å; K119-D123 HydrophobicContact CG-CB 4.04Å
120T96.5Very high92.3Very high22 Ų2267.8 Ų67.814%0.13539%0.394CS..BIsolated β-bridgetrans-95.9165.7-177.666.90000112.6D61 C62 D118 A122 D123 A124D61-T120 WeakPolarHBondContact O-CG2 3.39Å; C62-T120 CarbonylContact O-C 3.51Å; C62-T120 WeakPolarHBondContact O-CA 3.22Å; D118-T120 PolarHBondContact O-N 3.01Å; T120-A122 PolarHBondContact O-N 3.39Å; T120-A122 PolarHBondContact OG1-N 3.33Å; T120-D123 WeakPolarHBondContact CB-OD2 3.35Å; T120-D123 PolarHBondContact N-OD2 2.81Å; T120-D123 PolarHBondContact O-N 2.96Å; T120-D123 PolarHBondContact OG1-N 3.14Å; T120-D123 VanDerWaalsContact OG1-N 3.09Å; T120-D123 PolarHBondContact OG1-OD2 3.44Å; T120-A124 WeakPolarHBondContact O-CB 3.27Å; T120-A124 PolarHBondContact O-N 3.18Å
121L96.1Very high92.7Very high1 Ų167.6 Ų67.61%0.00538%0.382CS..THydrogen-bonded Turntrans-59.1-35.2169.9-66.8-179000112M27 V29 T58 R60 C62 L67 A124 R125 F126 I132M27-L121 HydrophobicContact CE-CD1 3.63Å; V29-L121 HydrophobicContact CG2-CD1 4.18Å; T58-L121 HydrophobicContact CG2-CD1 4.11Å; R60-L121 WeakPolarHBondContact O-CB 3.28Å; R60-L121 PolarHBondContact O-N 3.44Å; C62-L121 HydrophobicContact CB-CD1 4.1Å; C62-L121 HydrophobicContact CB-CG 4.36Å; C62-L121 PolarHBondContact O-N 3.16Å; L67-L121 HydrophobicContact CD1-CD2 4.15Å; L121-A124 CarbonylContact O-C 3.55Å; L121-A124 PolarHBondContact O-N 2.91Å; L121-R125 PolarHBondContact O-N 2.98Å; L121-F126 HydrophobicContact CB-CB 3.94Å; L121-F126 HydrophobicContact CB-CG 4.35Å; L121-F126 HydrophobicContact CD2-CB 4.28Å; L121-F126 HydrophobicContact CD2-CD2 4.35Å; L121-F126 HydrophobicContact CD2-CG 4.28Å; L121-F126 VanDerWaalsContact O-CB 3.27Å; L121-F126 WeakPolarHBondContact O-CB 3.16Å; L121-F126 PolarHBondContact O-N 3.29Å; L121-I132 HydrophobicContact CD2-CD1 3.62Å
122A95.1Very high93.2Very high50 Ų5061.7 Ų61.741%0.41335%0.354SS..THydrogen-bonded Turntrans-62.7-48.1173.400000111.8R60 T120 A124 R125R60-A122 HydrophobicContact CB-CB 4.26Å; R60-A122 WeakPolarHBondContact O-CB 3.39Å; R60-A122 PolarHBondContact O-N 3.08Å; T120-A122 PolarHBondContact O-N 3.39Å; T120-A122 PolarHBondContact OG1-N 3.33Å; A122-A124 PolarHBondContact O-N 2.75Å; A122-R125 PolarHBondContact O-N 3.29Å
123D95.7Very high94.1Very high88 Ų8856.2 Ų56.247%0.47132%0.318SS..THydrogen-bonded Turntrans-62.3-34.7176.6-60.3-47.6000111.6K119 T120 R125K119-D123 HydrophobicContact CG-CB 4.04Å; T120-D123 WeakPolarHBondContact CB-OD2 3.35Å; T120-D123 PolarHBondContact N-OD2 2.81Å; T120-D123 PolarHBondContact O-N 2.96Å; T120-D123 PolarHBondContact OG1-N 3.14Å; T120-D123 VanDerWaalsContact OG1-N 3.09Å; T120-D123 PolarHBondContact OG1-OD2 3.44Å; D123-R125 PolarHBondContact O-N 2.96Å
124A95.3Very high95Very high2 Ų252.9 Ų52.92%0.01728%0.284CS..THydrogen-bonded Turntrans-74.2-1.3175.300000113.5I89 R102 I104 T120 L121 A122 F126I89-A124 HydrophobicContact CD1-CB 4.02Å; R102-A124 PolarHBondContact NH1-O 2.64Å; R102-A124 PolarHBondContact NH2-O 2.84Å; I104-A124 HydrophobicContact CD1-CB 4.28Å; I104-A124 HydrophobicContact CG1-CB 4.31Å; I104-A124 HydrophobicContact CG2-CB 3.44Å; I104-A124 VanDerWaalsContact CG2-CB 3.44Å; T120-A124 WeakPolarHBondContact O-CB 3.27Å; T120-A124 PolarHBondContact O-N 3.18Å; L121-A124 CarbonylContact O-C 3.55Å; L121-A124 PolarHBondContact O-N 2.91Å; A122-A124 PolarHBondContact O-N 2.75Å; A124-F126 PolarHBondContact O-N 2.95Å
125R95.4Very high95.5Very high206 Ų20651.6 Ų51.678%0.77728%0.277SS*.THydrogen-bonded Turntrans5337.6-174.6-54-176.8-178.5-153.6-0.6112.9L121 A122 D123L121-R125 PolarHBondContact O-N 2.98Å; A122-R125 PolarHBondContact O-N 3.29Å; D123-R125 PolarHBondContact O-N 2.96Å
126F95.9Very high95.9Very high17 Ų1742.7 Ų42.78%0.07523%0.233CC..  trans-64.6135.9172.8178.5-90000110.2M27 V29 I89 L121 A124 D130 I132M27-F126 HydrophobicContact CE-CD1 3.67Å; M27-F126 HydrophobicContact CE-CE1 3.6Å; M27-F126 HydrophobicContact SD-CD1 4.42Å; M27-F126 HydrophobicContact SD-CE1 4.09Å; V29-F126 HydrophobicContact CG1-CE2 4.48Å; V29-F126 HydrophobicContact CG1-CZ 4.26Å; V29-F126 HydrophobicContact CG2-CE1 4.2Å; V29-F126 HydrophobicContact CG2-CZ 4.09Å; I89-F126 HydrophobicContact CD1-CB 3.99Å; I89-F126 HydrophobicContact CD1-CD2 4.08Å; I89-F126 HydrophobicContact CG1-CD2 4.04Å; L121-F126 HydrophobicContact CB-CB 3.94Å; L121-F126 HydrophobicContact CB-CG 4.35Å; L121-F126 HydrophobicContact CD2-CB 4.28Å; L121-F126 HydrophobicContact CD2-CD2 4.35Å; L121-F126 HydrophobicContact CD2-CG 4.28Å; L121-F126 VanDerWaalsContact O-CB 3.27Å; L121-F126 WeakPolarHBondContact O-CB 3.16Å; L121-F126 PolarHBondContact O-N 3.29Å; A124-F126 PolarHBondContact O-N 2.95Å; F126-D130 HydrophobicContact CD2-CB 3.8Å; F126-D130 HydrophobicContact CE2-CB 3.47Å; F126-D130 VanDerWaalsContact CE2-CB 3.47Å; F126-D130 HydrophobicContact CZ-CB 4.02Å; F126-I132 HydrophobicContact CD2-CD1 4.45Å; F126-I132 HydrophobicContact CD2-CG1 4.24Å; F126-I132 HydrophobicContact CE2-CD1 4.25Å; F126-I132 HydrophobicContact CE2-CG1 3.86Å
127V95Very high95.9Very high94 Ų9442.9 Ų42.957%0.5724%0.235SC*.  trans-116.6143.7174.9-179.10000109.5G129 D130V127-G129 PolarHBondContact O-N 3.23Å; V127-D130 PolarHBondContact N-OD2 2.99Å; V127-D130 WeakPolarHBondContact O-CB 3.2Å; V127-D130 VanDerWaalsContact O-CG 3.3Å; V127-D130 PolarHBondContact O-N 3.33Å
128V94.5Very high95.7Very high97 Ų9743.6 Ų43.659%0.58824%0.24SC*.THydrogen-bonded Turntrans-59124.5175.8178.70000109.5M27M27-V128 HydrophobicContact CB-CG2 4.44Å; M27-V128 HydrophobicContact SD-CG2 3.83Å
129G93.9Very high95.4Very high47 Ų4741.1 Ų41.149%0.48523%0.23SC..THydrogen-bonded Turntrans110.6-20.9-172.400000113.1V127V127-G129 PolarHBondContact O-N 3.23Å
130D95.9Very high94.5Very high15 Ų1543 Ų438%0.0825%0.251CS..  trans-64.2149.2166.8-70.9-24.1000110.7I89 S91 F126 V127I89-D130 HydrophobicContact CG2-CB 4.02Å; S91-D130 WeakPolarHBondContact CA-OD1 3.27Å; S91-D130 WeakPolarHBondContact CB-OD1 3.47Å; S91-D130 VanDerWaalsContact OG-CG 3.26Å; S91-D130 PolarHBondContact OG-OD1 3.36Å; F126-D130 HydrophobicContact CD2-CB 3.8Å; F126-D130 HydrophobicContact CE2-CB 3.47Å; F126-D130 VanDerWaalsContact CE2-CB 3.47Å; F126-D130 HydrophobicContact CZ-CB 4.02Å; V127-D130 PolarHBondContact N-OD2 2.99Å; V127-D130 WeakPolarHBondContact O-CB 3.2Å; V127-D130 VanDerWaalsContact O-CG 3.3Å; V127-D130 PolarHBondContact O-N 3.33Å
131Y97.2Very high92.7Very high33 Ų3349.8 Ų49.813%0.12928%0.281CS..EExtended strand (participates in β ladder)trans-99.7156.3165.8-49-36.9000110.3R30 F32 Y44 V49 I89 I90 F99R30-Y131 HydrophobicContact CB-CD1 4.02Å; R30-Y131 PolarHBondContact NH1-OH 3.09Å; R30-Y131 WeakPolarHBondContact O-CA 3.32Å; F32-Y131 HydrophobicContact CD2-CG 4.44Å; F32-Y131 HydrophobicContact CE2-CD1 4.17Å; F32-Y131 AromaticContact CE2-CD2 4Å; F32-Y131 HydrophobicContact CE2-CD2 4Å; F32-Y131 AromaticContact CE2-CG 3.71Å; F32-Y131 HydrophobicContact CE2-CG 3.71Å; Y44-Y131 AromaticContact CD1-CD2 3.94Å; Y44-Y131 HydrophobicContact CD1-CD2 3.94Å; Y44-Y131 HydrophobicContact CD1-CE2 4.46Å; Y44-Y131 HydrophobicContact CE1-CD2 4.2Å; V49-Y131 HydrophobicContact CG1-CE2 3.83Å; I89-Y131 WeakPolarHBondContact CA-O 3.35Å; I90-Y131 PolarHBondContact N-O 2.68Å; I90-Y131 PolarHBondContact O-N 2.8Å; F99-Y131 HydrophobicContact CD1-CD2 4.44Å; F99-Y131 HydrophobicContact CD1-CE2 4.3Å; F99-Y131 HydrophobicContact CE1-CD2 4.03Å; F99-Y131 AromaticContact CE1-CE2 3.49Å; F99-Y131 HydrophobicContact CE1-CE2 3.49Å; F99-Y131 VanDerWaalsContact CE1-CE2 3.49Å; F99-Y131 AromaticContact CZ-CE2 3.97Å; F99-Y131 HydrophobicContact CZ-CE2 3.97Å
132I97.9Very high90.6Very high0 Ų054.2 Ų54.20%031%0.312CS..EExtended strand (participates in β ladder)trans-106.5130.5167.7-59-175.8000107.5V29 R30 L31 F32 L67 F87 A88 L121 F126 V134V29-I132 HydrophobicContact CG1-CD1 3.48Å; V29-I132 VanDerWaalsContact CG1-CD1 3.48Å; V29-I132 HydrophobicContact CG1-CG1 3.87Å; R30-I132 PolarHBondContact O-N 3.37Å; L31-I132 CarbonylContact C-O 3.56Å; L31-I132 VanDerWaalsContact CA-O 3.26Å; L31-I132 WeakPolarHBondContact CA-O 3.35Å; L31-I132 HydrophobicContact CB-CB 4.29Å; L31-I132 HydrophobicContact CD1-CB 4.19Å; L31-I132 HydrophobicContact CD1-CG2 3.87Å; L31-I132 HydrophobicContact CG-CB 4.02Å; L31-I132 HydrophobicContact CG-CG2 3.97Å; F32-I132 PolarHBondContact N-O 3.48Å; L67-I132 HydrophobicContact CD1-CD1 3.84Å; F87-I132 HydrophobicContact CD1-CG2 4.18Å; A88-I132 CarbonylContact O-C 3.52Å; A88-I132 WeakPolarHBondContact O-CA 3.37Å; L121-I132 HydrophobicContact CD2-CD1 3.62Å; F126-I132 HydrophobicContact CD2-CD1 4.45Å; F126-I132 HydrophobicContact CD2-CG1 4.24Å; F126-I132 HydrophobicContact CE2-CD1 4.25Å; F126-I132 HydrophobicContact CE2-CG1 3.86Å; I132-V134 HydrophobicContact CG2-CG2 3.89Å
133D97.9Very high88.2Confident1 Ų156.9 Ų56.91%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-110.2136.2168.6-170.258.5000110.2F32 H38 N39 Y44 A88 I90F32-D133 CarbonylContact O-C 3.57Å; H38-D133 WeakPolarHBondContact CA-OD2 3.5Å; H38-D133 WeakPolarHBondContact CB-OD2 3.24Å; H38-D133 IonicContact CE1-OD2 3.94Å; H38-D133 IonicContact CG-OD2 3.29Å; H38-D133 VanDerWaalsContact CG-OD2 3.29Å; H38-D133 IonicContact ND1-OD2 2.73Å; H38-D133 PolarHBondContact ND1-OD2 3.49Å; N39-D133 PolarHBondContact N-OD2 2.8Å; N39-D133 PolarHBondContact ND2-OD1 2.81Å; Y44-D133 WeakPolarHBondContact OH-CB 3.12Å; Y44-D133 PolarHBondContact OH-OD1 3.19Å; A88-D133 PolarHBondContact N-O 3.45Å; A88-D133 PolarHBondContact O-N 2.83Å; I90-D133 HydrophobicContact CD1-CB 4.06Å; I90-D133 HydrophobicContact CG1-CB 3.75Å
134V97.8Very high86.1Confident0 Ų059.7 Ų59.70%033%0.332CS..EExtended strand (participates in β ladder)trans-127.4119.7-177.9-169.80000110.9L31 F32 T33 C34 I71 C85 S86 F87 I132 I136L31-V134 HydrophobicContact CD1-CG2 3.88Å; L31-V134 HydrophobicContact CD2-CB 4.41Å; L31-V134 HydrophobicContact CD2-CG2 3.73Å; L31-V134 HydrophobicContact CG-CG2 3.85Å; F32-V134 PolarHBondContact O-N 2.81Å; T33-V134 WeakPolarHBondContact CA-O 3.37Å; T33-V134 HydrophobicContact CG2-CB 4.36Å; C34-V134 PolarHBondContact N-O 3.04Å; I71-V134 HydrophobicContact CD1-CB 4.3Å; I71-V134 HydrophobicContact CD1-CG1 4.02Å; I71-V134 HydrophobicContact CD1-CG2 3.93Å; C85-V134 HydrophobicContact CB-CG1 3.97Å; S86-V134 CarbonylContact O-C 3.52Å; S86-V134 VanDerWaalsContact O-CA 3.23Å; S86-V134 WeakPolarHBondContact O-CA 3.17Å; S86-V134 WeakPolarHBondContact O-CG1 3.47Å; F87-V134 HydrophobicContact CD1-CG1 4.31Å; F87-V134 HydrophobicContact CD1-CG2 3.55Å; F87-V134 HydrophobicContact CE1-CG1 4.13Å; F87-V134 HydrophobicContact CE1-CG2 3.7Å; F87-V134 HydrophobicContact CG-CG2 4.43Å; F87-V134 HydrophobicContact CZ-CG1 4.36Å; I132-V134 HydrophobicContact CG2-CG2 3.89Å; V134-I136 HydrophobicContact CG1-CG1 4.29Å
135A96.8Very high83.7Confident3 Ų364.7 Ų64.73%0.02536%0.362CS..EExtended strand (participates in β ladder)trans-86.7119.2166.800000109.3C34 R37 C85 S86 V137C34-A135 WeakPolarHBondContact O-CA 3.44Å; R37-A135 WeakPolarHBondContact O-CB 3.35Å; C85-A135 WeakPolarHBondContact CA-O 3.04Å; S86-A135 PolarHBondContact N-O 2.72Å; S86-A135 PolarHBondContact O-N 3.13Å; A135-V137 HydrophobicContact CB-CG2 4.44Å
136I96.1Very high81.4Confident1 Ų165.1 Ų65.11%0.00536%0.364CS..EExtended strand (participates in β ladder)trans-98.8105.5176.8-60.2171.1000107T33 C34 L35 E36 I71 I75 T83 V134 P138T33-I136 HydrophobicContact CG2-CD1 4.28Å; C34-I136 PolarHBondContact O-N 2.9Å; L35-I136 CarbonylContact C-O 3.5Å; L35-I136 WeakPolarHBondContact CA-O 3.34Å; L35-I136 HydrophobicContact CD2-CB 4.23Å; L35-I136 HydrophobicContact CD2-CG2 4.2Å; E36-I136 PolarHBondContact N-O 3.08Å; I71-I136 HydrophobicContact CG2-CD1 3.76Å; I71-I136 HydrophobicContact CG2-CG1 4.41Å; I75-I136 HydrophobicContact CB-CD1 4.38Å; I75-I136 HydrophobicContact CD1-CD1 3.58Å; I75-I136 HydrophobicContact CG2-CD1 3.98Å; T83-I136 HydrophobicContact CG2-CG2 3.61Å; V134-I136 HydrophobicContact CG1-CG1 4.29Å; I136-P138 WeakPolarHBondContact O-CD 3.5Å
137V95Very high79Confident46 Ų4667.3 Ų67.328%0.27939%0.392SS..EExtended strand (participates in β ladder)trans-108.695.7-176.9-171.10000108.6T83 T84 A135T83-V137 CarbonylContact C-O 3.57Å; T83-V137 WeakPolarHBondContact CA-O 3.39Å; T84-V137 PolarHBondContact N-O 2.96Å; T84-V137 PolarHBondContact O-N 3.22Å; A135-V137 HydrophobicContact CB-CG2 4.44Å
138P91.5Very high76.7Confident23 Ų2373 Ų7315%0.14940%0.403CS..  trans-47.8154169.7-26.732.1000111.8E36 I136 S140E36-P138 WeakPolarHBondContact OE1-CD 3.22Å; I136-P138 WeakPolarHBondContact O-CD 3.5Å; P138-S140 PolarHBondContact O-N 3.24Å
139P88.6Confident74.4Confident52 Ų5271.9 Ų71.934%0.33841%0.412SS..  trans-60.5116.117129.6-35.4000107.6R81 H141R81-P139 WeakPolarHBondContact O-CG 3.21Å; P139-H141 PolarHBondContact O-N 3.24Å
140S77.3Confident72.1Confident105 Ų10575.7 Ų75.773%0.73442%0.421SS*.  trans-59.7112.9170.1-175.70000106.3P138 S142P138-S140 PolarHBondContact O-N 3.24Å; S140-S142 PolarHBondContact O-N 3.46Å
141H57.8Low69.9Low165 Ų16583.2 Ų83.276%0.76445%0.453SS*.  trans-63.280.3155.2-90.8-87.3000105.2P139 T143P139-H141 PolarHBondContact O-N 3.24Å; H141-T143 PolarHBondContact O-N 2.75Å
142S52Low67.6Low93 Ų9392.1 Ų92.165%0.6549%0.486SS*.  trans-58.190.8145.262.50000104S140 F144S140-S142 PolarHBondContact O-N 3.46Å; S142-F144 PolarHBondContact O-N 2.76Å
143T45.5Very low65.1Low106 Ų106102.2 Ų102.265%0.6552%0.524SS*.  trans-63.256.4145.945.10000107H141 T145H141-T143 PolarHBondContact O-N 2.75Å; T143-T145 PolarHBondContact O-N 3.32Å; T143-T145 PolarHBondContact O-OG1 2.83Å
144F50Low62.7Low147 Ų147113 Ų11365%0.64557%0.565SS**  trans-72.474.8143.6-147.3-133.2000102.5S142 R146S142-F144 PolarHBondContact O-N 2.76Å; F144-R146 HydrophobicContact CD1-CB 3.31Å; F144-R146 HydrophobicContact CD1-CG 3.65Å; F144-R146 HydrophobicContact CE1-CB 3.47Å; F144-R146 VanDerWaalsContact CE1-CB 3.47Å; F144-R146 HydrophobicContact CE1-CG 3.2Å; F144-R146 HydrophobicContact CG-CB 3.91Å; F144-R146 HydrophobicContact CZ-CB 4.2Å; F144-R146 HydrophobicContact CZ-CG 3.81Å; F144-R146 PolarHBondContact O-N 2.71Å
145T46.5Very low60.3Low108 Ų108118 Ų11866%0.66360%0.597SS**  1.342.785.462.60000115.8T143 G147T143-T145 PolarHBondContact O-N 3.32Å; T143-T145 PolarHBondContact O-OG1 2.83Å; T145-G147 PolarHBondContact O-N 2.8Å
146R47.2Very low58.6Low214 Ų214122.5 Ų122.581%0.80864%0.635SS**THydrogen-bonded Turntrans-77.261.8151.9-151.2-176.5-179.1164.3-12.6108F144F144-R146 HydrophobicContact CD1-CB 3.31Å; F144-R146 HydrophobicContact CD1-CG 3.65Å; F144-R146 HydrophobicContact CE1-CB 3.47Å; F144-R146 VanDerWaalsContact CE1-CB 3.47Å; F144-R146 HydrophobicContact CE1-CG 3.2Å; F144-R146 HydrophobicContact CG-CB 3.91Å; F144-R146 HydrophobicContact CZ-CB 4.2Å; F144-R146 HydrophobicContact CZ-CG 3.81Å; F144-R146 PolarHBondContact O-N 2.71Å
147G44.7Very low57.1Low64 Ų64135.2 Ų135.266%0.6669%0.691SS**THydrogen-bonded Turntrans176.818.4-170.500000116.5T145T145-G147 PolarHBondContact O-N 2.8Å
148R45.9Very low55.2Low212 Ų212139.7 Ų139.780%0.871%0.711SS**  trans-144.442.8161.3-76.7-157.9172.4173.3-1.7112.8N150R148-N150 PolarHBondContact O-N 2.87Å; R148-N150 VanDerWaalsContact O-N 3.1Å
149G47.2Very low53.2Low75 Ų75145.8 Ų145.877%0.77374%0.741SS**  trans-71.287.6137.400000105.8F151G149-F151 PolarHBondContact O-N 2.69Å
150N45.5Very low51.3Low127 Ų127151 Ų15168%0.67976%0.763SS**  trans-50.199.4163.8-102.124.4000105.3R148 R152R148-N150 PolarHBondContact O-N 2.87Å; R148-N150 VanDerWaalsContact O-N 3.1Å; N150-R152 PolarHBondContact O-N 3.14Å
151F49.7Very low49.8Very low173 Ų173153.7 Ų153.776%0.75977%0.765SS**  trans-64.684.5162.8-159.9-100.5000103.4G149 R153G149-F151 PolarHBondContact O-N 2.69Å; F151-R153 HydrophobicContact CD1-CG 3.49Å; F151-R153 VanDerWaalsContact CD1-CG 3.49Å; F151-R153 HydrophobicContact CE1-CG 3.82Å; F151-R153 PolarHBondContact O-N 3.48Å
152R48Very low49.2Very low220 Ų220153 Ų15383%0.8377%0.765SS**  trans-57.884.6163.8-74.4179.8131.7168.4-2.8103.9N150 R154N150-R152 PolarHBondContact O-N 3.14Å; R152-R154 PolarHBondContact O-N 2.99Å
153R46.7Very low49.1Very low211 Ų211157 Ų15780%0.79677%0.773SS**  trans-61.488.7154.9-68.4-154.8176.7-167.51104.3F151 P155F151-R153 HydrophobicContact CD1-CG 3.49Å; F151-R153 VanDerWaalsContact CD1-CG 3.49Å; F151-R153 HydrophobicContact CE1-CG 3.82Å; F151-R153 PolarHBondContact O-N 3.48Å; R153-P155 WeakPolarHBondContact O-CD 3.39Å
154R47.2Very low49.3Very low227 Ų227160.6 Ų160.686%0.85778%0.781SS**PPolyproline II helixtrans-61.8120.1156.2-76.9178.987.9177.75.6104.6R152 A156R152-R154 PolarHBondContact O-N 2.99Å; R154-A156 PolarHBondContact O-N 2.95Å
155P45.9Very low49.3Very low105 Ų105161.7 Ų161.768%0.68279%0.792SS**PPolyproline II helixtrans-68.4124.3163.429.3-27.7000106.3R153R153-P155 WeakPolarHBondContact O-CD 3.39Å
156A62.8Low49.5Very low99 Ų99166.2 Ų166.282%0.81880%0.803SS**PPolyproline II helixtrans-81.3118.1158.900000105.8R154R154-A156 PolarHBondContact O-N 2.95Å
157F62.8Low49.7Very low267 Ų267161.8 Ų161.8100%1.17180%0.802SS**  trans-69.10155.5-70.6-83.4000108.4

Retrieved 157 of 157 residues in 163.5 ms (Link to these results)

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