A0A096N9E7_PAPAN Loading...

Heteroous nuclear ribonucleoprotein A1 AlphaSync

AlphaFold DB (P09651-3), UniProt , Accession A0A096N9E7, Species PAPAN (Papio anubis, Olive baboon), Gene HNRNPA1, Length 267 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
1M36.8Very low58.6Low249 Ų249131 Ų131100%1.22771%0.714SS**  0101.20-72.4-177.3176.800107.9K3M1-K3 PolarHBondContact O-N 2.85Å
2S40.6Very low61.2Low128 Ų128124.7 Ų124.790%0.89568%0.676SS**  trans-80.6106.217714.50000108.5S4S2-S4 PolarHBondContact O-N 3.39Å
3K39Very low63.7Low204 Ų204119.5 Ų119.589%0.88765%0.647SS**  trans-68.7116173.7-145.1173.9-174.5-178.40106.8M1 E5M1-K3 PolarHBondContact O-N 2.85Å; K3-E5 PolarHBondContact O-N 3.33Å
4S39.4Very low66Low113 Ų113112.6 Ų112.679%0.7961%0.607SS**  trans-54.7108.9173.649.20000109.3S2 S6S2-S4 PolarHBondContact O-N 3.39Å; S4-S6 PolarHBondContact O-N 3.12Å
5E47.2Very low68Low142 Ų142107.3 Ų107.366%0.66458%0.576SS**  trans-68.7108.9174.5-118.6170-156.800108.1K3 K8K3-E5 PolarHBondContact O-N 3.33Å; E5-K8 HydrophobicContact CG-CD 4.23Å; E5-K8 HydrophobicContact CG-CG 4.44Å; E5-K8 WeakPolarHBondContact OE1-CE 3.43Å; E5-K8 IonicContact OE1-NZ 2.8Å; E5-K8 PolarHBondContact OE1-NZ 3.23Å; E5-K8 IonicContact OE2-NZ 3.58Å
6S53.7Low69.9Low92 Ų92100.6 Ų100.664%0.64354%0.54SS*.  trans-49.9147.7161.122.90000108.9S4 K8S4-S6 PolarHBondContact O-N 3.12Å; S6-K8 PolarHBondContact O-N 3.38Å
7P54.6Low71.6Confident130 Ų13097.8 Ų97.884%0.84452%0.522SS*.  trans-55.3104.9178.422.4-31.3000108.2E9P7-E9 PolarHBondContact O-N 2.79Å
8K69.2Low73.1Confident123 Ų12392.3 Ų92.354%0.53549%0.493SS..PPolyproline II helixtrans-61.6131.3-174.5-79.7171.9159.6173.40107.9E5 S6E5-K8 HydrophobicContact CG-CD 4.23Å; E5-K8 HydrophobicContact CG-CG 4.44Å; E5-K8 WeakPolarHBondContact OE1-CE 3.43Å; E5-K8 IonicContact OE1-NZ 2.8Å; E5-K8 PolarHBondContact OE1-NZ 3.23Å; E5-K8 IonicContact OE2-NZ 3.58Å; S6-K8 PolarHBondContact O-N 3.38Å
9E82.2Confident74.4Confident78 Ų7887.8 Ų87.836%0.36447%0.47SS..PPolyproline II helixtrans-49.6141.6173.2-59.8167.813200109.5P7 E11 R14 T64 V65P7-E9 PolarHBondContact O-N 2.79Å; E9-E11 PolarHBondContact O-N 2.91Å; E9-R14 HydrophobicContact CB-CG 4.22Å; E9-R14 PolarHBondContact O-NE 3Å; E9-R14 PolarHBondContact O-NH2 3.45Å; E9-T64 WeakPolarHBondContact OE2-CA 3.48Å; E9-V65 HydrophobicContact CB-CG2 4.22Å; E9-V65 VanDerWaalsContact CD-CG2 3.49Å; E9-V65 HydrophobicContact CG-CG2 4.39Å; E9-V65 WeakPolarHBondContact OE2-CG2 3.43Å; E9-V65 PolarHBondContact OE2-N 2.84Å
10P90.1Very high75.5Confident84 Ų8485 Ų8555%0.54546%0.463SS..PPolyproline II helixtrans-47.8134.6179.4-27.731.6000111.8Q12 L13P10-Q12 PolarHBondContact O-N 3.48Å; P10-L13 HydrophobicContact CB-CG 4.34Å; P10-L13 HydrophobicContact CG-CD1 4.2Å; P10-L13 PolarHBondContact O-N 2.78Å
11E91.1Very high76.6Confident98 Ų9881.2 Ų81.246%0.45844%0.442SS..G310 helixtrans-50.6-38.8-179-170.8-161.8139.200111.7E9 L13 R14 K15 T61E9-E11 PolarHBondContact O-N 2.91Å; E11-L13 VanDerWaalsContact C-N 3.27Å; E11-L13 PolarHBondContact O-N 2.79Å; E11-R14 CarbonylContact O-C 3.53Å; E11-R14 WeakPolarHBondContact O-CA 3.37Å; E11-R14 PolarHBondContact O-N 3.27Å; E11-K15 VanDerWaalsContact O-CB 3.31Å; E11-K15 WeakPolarHBondContact O-CB 3.49Å; E11-K15 PolarHBondContact O-N 3.16Å; E11-K15 VanDerWaalsContact O-N 3.11Å; E11-K15 IonicContact OE1-NZ 3.78Å; E11-K15 PolarHBondContact OE1-NZ 3.32Å; E11-T61 HydrophobicContact CG-CG2 3.68Å
12Q90.5Very high79.5Confident55 Ų5570.4 Ų70.426%0.25739%0.392SS..G310 helixtrans-55.2-38.2178.8-170.162.653.300113.5P10 R14 A89 V90P10-Q12 PolarHBondContact O-N 3.48Å; Q12-R14 VanDerWaalsContact C-N 3.3Å; Q12-A89 VanDerWaalsContact NE2-CB 3.29Å; Q12-A89 PolarHBondContact NE2-O 2.91Å; Q12-V90 PolarHBondContact NE2-O 3.13Å
13L93.1Very high82.1Confident58 Ų5870.9 Ų70.930%0.30438%0.378SS..G310 helixtrans-74.5-25.7179.3-62.4-178.1000112.1P10 E11 V65 I164P10-L13 HydrophobicContact CB-CG 4.34Å; P10-L13 HydrophobicContact CG-CD1 4.2Å; P10-L13 PolarHBondContact O-N 2.78Å; E11-L13 VanDerWaalsContact C-N 3.27Å; E11-L13 PolarHBondContact O-N 2.79Å; L13-V65 HydrophobicContact CB-CG2 3.68Å; L13-I164 HydrophobicContact CD2-CB 4.37Å; L13-I164 HydrophobicContact CD2-CD1 3.94Å; L13-I164 HydrophobicContact CD2-CG2 3.56Å
14R95.8Very high84.8Confident22 Ų2269 Ų698%0.08337%0.372CS..G310 helixtrans-94.63.1-178.5-64.6-172.8-72.1100.22113.6E9 E11 Q12 T61 Y62 A63 V65 V68E9-R14 HydrophobicContact CB-CG 4.22Å; E9-R14 PolarHBondContact O-NE 3Å; E9-R14 PolarHBondContact O-NH2 3.45Å; E11-R14 CarbonylContact O-C 3.53Å; E11-R14 WeakPolarHBondContact O-CA 3.37Å; E11-R14 PolarHBondContact O-N 3.27Å; Q12-R14 VanDerWaalsContact C-N 3.3Å; R14-T61 HydrophobicContact CB-CG2 4.33Å; R14-T61 CarbonylContact O-C 3.44Å; R14-T61 WeakPolarHBondContact O-CA 3.26Å; R14-Y62 PolarHBondContact NH1-O 2.96Å; R14-Y62 PolarHBondContact O-N 3.08Å; R14-A63 VanDerWaalsContact CD-C 3.49Å; R14-A63 WeakPolarHBondContact CD-O 3.45Å; R14-V65 HydrophobicContact CG-CG2 3.79Å; R14-V68 HydrophobicContact CB-CG2 4.45Å; R14-V68 WeakPolarHBondContact O-CG2 3.43Å
15K97.3Very high87.6Confident34 Ų3463.6 Ų63.615%0.14833%0.334CS..EExtended strand (participates in β ladder)trans-109.7131.8-172.2-168.2170.9-155.8150.50111.5E11 F59 V60 T61 A89E11-K15 VanDerWaalsContact O-CB 3.31Å; E11-K15 WeakPolarHBondContact O-CB 3.49Å; E11-K15 PolarHBondContact O-N 3.16Å; E11-K15 VanDerWaalsContact O-N 3.11Å; E11-K15 IonicContact OE1-NZ 3.78Å; E11-K15 PolarHBondContact OE1-NZ 3.32Å; K15-F59 HydrophobicContact CD-CD1 4.33Å; K15-F59 HydrophobicContact CG-CB 4.45Å; K15-F59 HydrophobicContact CG-CD1 4.27Å; K15-V60 WeakPolarHBondContact CA-O 3.47Å; K15-T61 HydrophobicContact CB-CG2 4.41Å; K15-A89 HydrophobicContact CB-CB 3.85Å; K15-A89 HydrophobicContact CD-CB 4.22Å; K15-A89 HydrophobicContact CG-CB 3.79Å; K15-A89 VanDerWaalsContact O-CB 3.25Å; K15-A89 WeakPolarHBondContact O-CB 2.92Å; K15-A89 PolarHBondContact O-N 3.47Å
16L98.1Very high90Very high0 Ų059.1 Ų59.10%032%0.317CS..EExtended strand (participates in β ladder)trans-107.4138.6170.9-66.5178.5000110.6I18 F59 V60 Y62 V68 A71 M72 K87L16-I18 HydrophobicContact CB-CD1 3.84Å; L16-F59 VanDerWaalsContact O-CA 3.24Å; L16-F59 WeakPolarHBondContact O-CA 3.34Å; L16-V60 HydrophobicContact CB-CG2 3.82Å; L16-V60 HydrophobicContact CD1-CG2 4.35Å; L16-V60 HydrophobicContact CG-CG2 4.5Å; L16-V60 PolarHBondContact N-O 3.35Å; L16-V60 PolarHBondContact O-N 3.36Å; L16-V60 VanDerWaalsContact O-N 3.1Å; L16-Y62 HydrophobicContact CD1-CE2 4.07Å; L16-V68 HydrophobicContact CD1-CG1 4.06Å; L16-V68 HydrophobicContact CD2-CG1 3.41Å; L16-V68 VanDerWaalsContact CD2-CG1 3.41Å; L16-V68 HydrophobicContact CG-CG1 3.68Å; L16-A71 HydrophobicContact CD1-CB 4.11Å; L16-M72 HydrophobicContact CD1-CG 4.34Å; L16-M72 HydrophobicContact CD1-SD 4.11Å; L16-M72 HydrophobicContact CD2-CG 3.91Å; L16-M72 HydrophobicContact CD2-SD 3.62Å; L16-K87 CarbonylContact C-O 3.57Å; L16-K87 VanDerWaalsContact CA-O 3.31Å; L16-K87 WeakPolarHBondContact CA-O 3.5Å; L16-K87 WeakPolarHBondContact CD2-O 3.43Å
17F98Very high92.1Very high52 Ų5257.2 Ų57.223%0.22830%0.299CS..EExtended strand (participates in β ladder)trans-84128.9159.9167.8-92.4000108.6G19 F57 F59 P86 K87F17-G19 VanDerWaalsContact CE1-CA 3.47Å; F17-F57 HydrophobicContact CD2-CD2 4.12Å; F17-F57 HydrophobicContact CE2-CB 3.75Å; F17-F57 AromaticContact CE2-CD2 3.47Å; F17-F57 HydrophobicContact CE2-CD2 3.47Å; F17-F57 VanDerWaalsContact CE2-CD2 3.47Å; F17-F57 HydrophobicContact CE2-CE2 4.27Å; F17-F57 AromaticContact CE2-CG 3.84Å; F17-F57 HydrophobicContact CE2-CG 3.84Å; F17-F57 HydrophobicContact CZ-CB 3.87Å; F17-F57 HydrophobicContact CZ-CD2 4.39Å; F17-F57 HydrophobicContact CZ-CG 4.33Å; F17-F59 HydrophobicContact CB-CD1 4.24Å; F17-F59 HydrophobicContact CB-CE1 3.94Å; F17-F59 AromaticContact CD2-CE1 3.87Å; F17-F59 HydrophobicContact CD2-CE1 3.87Å; F17-F59 AromaticContact CD2-CZ 3.94Å; F17-F59 HydrophobicContact CD2-CZ 3.94Å; F17-F59 HydrophobicContact CG-CE1 4.42Å; F17-P86 CarbonylContact O-C 3.46Å; F17-P86 WeakPolarHBondContact O-CA 3.3Å; F17-K87 HydrophobicContact CD1-CB 4.39Å; F17-K87 HydrophobicContact CD1-CD 4.46Å; F17-K87 PolarHBondContact N-O 2.78Å; F17-K87 PolarHBondContact O-N 2.87Å
18I98.4Very high94.2Very high0 Ų057.3 Ų57.30%029%0.288CS..EExtended strand (participates in β ladder)trans-112103.1176.9-46.4-57.6000108.7L16 L21 L30 F34 F57 G58 V60 V84 P86L16-I18 HydrophobicContact CB-CD1 3.84Å; I18-L21 HydrophobicContact CB-CD2 4.29Å; I18-L21 HydrophobicContact CG2-CD2 3.48Å; I18-L21 VanDerWaalsContact CG2-CD2 3.48Å; I18-L21 HydrophobicContact CG2-CG 4.23Å; I18-L30 HydrophobicContact CG1-CD1 4.43Å; I18-L30 HydrophobicContact CG2-CD1 4.25Å; I18-F34 HydrophobicContact CD1-CE1 3.93Å; I18-F34 HydrophobicContact CD1-CE2 3.85Å; I18-F34 HydrophobicContact CD1-CZ 3.47Å; I18-F34 VanDerWaalsContact CD1-CZ 3.47Å; I18-F34 HydrophobicContact CG1-CE2 3.92Å; I18-F34 HydrophobicContact CG1-CZ 4.06Å; I18-F34 HydrophobicContact CG2-CE2 3.98Å; I18-F34 HydrophobicContact CG2-CZ 4.11Å; I18-F57 CarbonylContact O-C 3.57Å; I18-F57 WeakPolarHBondContact O-CA 3.19Å; I18-F57 WeakPolarHBondContact O-CB 3.27Å; I18-G58 PolarHBondContact N-O 3.39Å; I18-G58 PolarHBondContact O-N 2.94Å; I18-V60 HydrophobicContact CD1-CG2 3.98Å; I18-V60 HydrophobicContact CG1-CG1 4.3Å; I18-V60 HydrophobicContact CG1-CG2 4.15Å; I18-V84 HydrophobicContact CG2-CB 3.88Å; I18-V84 HydrophobicContact CG2-CG1 4.43Å; I18-V84 HydrophobicContact CG2-CG2 3.9Å; I18-P86 HydrophobicContact CD1-CB 3.69Å
19G97.7Very high95.6Very high6 Ų652.8 Ų52.86%0.06227%0.272CS..EExtended strand (participates in β ladder)trans-88.8155.9177.700000112.9F17 L21 V84 E85F17-G19 VanDerWaalsContact CE1-CA 3.47Å; G19-L21 PolarHBondContact O-N 2.81Å; G19-V84 WeakPolarHBondContact O-CA 3.39Å; G19-E85 PolarHBondContact N-O 3.04Å; G19-E85 PolarHBondContact O-N 3.28Å
20G97.3Very high96.3Very high32 Ų3249 Ų4933%0.3326%0.255SS..SBendtrans74.724171.200000114.4G56 R82G20-G56 PolarHBondContact N-O 2.99Å; G20-R82 WeakPolarHBondContact O-CD 3.42Å; G20-R82 WeakPolarHBondContact O-CG 3.19Å; G20-R82 PolarHBondContact O-NE 3.41Å
21L98.3Very high96.7Very high5 Ų548.6 Ų48.63%0.02624%0.243CC..  trans-58.4152.4173.9-62.7-177.3000111.5I18 G19 T25 L30 V45 G56 F57 V84I18-L21 HydrophobicContact CB-CD2 4.29Å; I18-L21 HydrophobicContact CG2-CD2 3.48Å; I18-L21 VanDerWaalsContact CG2-CD2 3.48Å; I18-L21 HydrophobicContact CG2-CG 4.23Å; G19-L21 PolarHBondContact O-N 2.81Å; L21-T25 HydrophobicContact CB-CG2 4.44Å; L21-T25 HydrophobicContact CD1-CG2 4.19Å; L21-T25 HydrophobicContact CD2-CG2 4.21Å; L21-L30 HydrophobicContact CD1-CD1 4.39Å; L21-L30 HydrophobicContact CD1-CD2 4.17Å; L21-L30 HydrophobicContact CD2-CD1 3.81Å; L21-V45 HydrophobicContact CD1-CG1 4.25Å; L21-V45 HydrophobicContact CD1-CG2 4.11Å; L21-G56 PolarHBondContact N-O 3.29Å; L21-F57 VanDerWaalsContact CD1-C 3.49Å; L21-V84 HydrophobicContact CD2-CB 4.41Å; L21-V84 HydrophobicContact CD2-CG1 3.71Å
22S97.3Very high97.1Very high23 Ų2348 Ų4816%0.16125%0.249CC..  trans-63.2150.7167.3-176.50000109.3E24 T25S22-E24 PolarHBondContact O-N 3.43Å; S22-E24 PolarHBondContact OG-N 3.02Å; S22-T25 WeakPolarHBondContact CB-OG1 2.96Å; S22-T25 PolarHBondContact N-OG1 3.28Å; S22-T25 WeakPolarHBondContact O-CB 3.15Å; S22-T25 PolarHBondContact O-N 3.08Å; S22-T25 VanDerWaalsContact O-N 3.17Å
23F96.4Very high97.5Very high137 Ų13747 Ų4760%0.60124%0.244SC*.THydrogen-bonded Turntrans-66-18.6171.9-66-53000112.5S54F23-S54 WeakPolarHBondContact CD1-O 3.22Å; F23-S54 WeakPolarHBondContact O-CB 3.16Å
24E95.8Very high97.7Very high164 Ų16444.2 Ų44.277%0.76623%0.23SC*.THydrogen-bonded Turntrans-87.4-14.8177-62.8175.4176.800112.9S22 T26S22-E24 PolarHBondContact O-N 3.43Å; S22-E24 PolarHBondContact OG-N 3.02Å; E24-T26 PolarHBondContact O-N 2.91Å
25T97.8Very high97.8Very high0 Ų047.3 Ų47.30%025%0.245CC..  trans-59.8132.8179.4-630000111L21 S22 L30 V45 R47 V79 D80L21-T25 HydrophobicContact CB-CG2 4.44Å; L21-T25 HydrophobicContact CD1-CG2 4.19Å; L21-T25 HydrophobicContact CD2-CG2 4.21Å; S22-T25 WeakPolarHBondContact CB-OG1 2.96Å; S22-T25 PolarHBondContact N-OG1 3.28Å; S22-T25 WeakPolarHBondContact O-CB 3.15Å; S22-T25 PolarHBondContact O-N 3.08Å; S22-T25 VanDerWaalsContact O-N 3.17Å; T25-L30 HydrophobicContact CG2-CB 4.07Å; T25-V45 HydrophobicContact CG2-CG2 4.13Å; T25-R47 PolarHBondContact O-NH2 3.17Å; T25-R47 VanDerWaalsContact O-NH2 3.11Å; T25-V79 HydrophobicContact CG2-CG1 3.97Å; T25-D80 WeakPolarHBondContact CA-OD2 3.26Å; T25-D80 VanDerWaalsContact CB-OD2 3.23Å; T25-D80 WeakPolarHBondContact CB-OD2 3.16Å; T25-D80 WeakPolarHBondContact CG2-OD2 3.28Å; T25-D80 PolarHBondContact OG1-OD2 2.92Å
26T97.7Very high97.9Very high49 Ų4952.1 Ų52.130%0.30127%0.268SS..  trans-109.7169.3178.378.50000111E24 E28 S29 L30 V45E24-T26 PolarHBondContact O-N 2.91Å; T26-E28 WeakPolarHBondContact CB-OE2 3.44Å; T26-E28 PolarHBondContact O-N 3.03Å; T26-E28 PolarHBondContact OG1-N 2.77Å; T26-E28 PolarHBondContact OG1-OE2 2.93Å; T26-S29 PolarHBondContact N-OG 3.49Å; T26-S29 PolarHBondContact O-N 3.25Å; T26-S29 PolarHBondContact O-OG 2.97Å; T26-S29 PolarHBondContact OG1-N 3.31Å; T26-L30 VanDerWaalsContact O-CB 3.26Å; T26-L30 WeakPolarHBondContact O-CB 3.5Å; T26-L30 PolarHBondContact O-N 3.36Å; T26-V45 WeakPolarHBondContact O-CG2 3.34Å
27D97.9Very high97.9Very high51 Ų5155.1 Ų55.127%0.27328%0.279SS..Hα-helixtrans-63.2-33.9178.2-61.85.8000109.7R31 C43 V45D27-R31 WeakPolarHBondContact O-CB 3.29Å; D27-R31 PolarHBondContact O-N 2.73Å; D27-C43 PolarHBondContact O-SG 3.13Å; D27-C43 VanDerWaalsContact O-SG 3.35Å; D27-V45 WeakPolarHBondContact OD1-CA 3.47Å; D27-V45 WeakPolarHBondContact OD1-CB 3.21Å; D27-V45 WeakPolarHBondContact OD1-CG2 3.22Å; D27-V45 PolarHBondContact OD1-N 3.26Å
28E98Very high97.8Very high132 Ų13253.3 Ų53.362%0.61728%0.276SS*.Hα-helixtrans-71.4-46.9177.4-55.475-162.700112.4T26 L30 R31 S32T26-E28 WeakPolarHBondContact CB-OE2 3.44Å; T26-E28 PolarHBondContact O-N 3.03Å; T26-E28 PolarHBondContact OG1-N 2.77Å; T26-E28 PolarHBondContact OG1-OE2 2.93Å; E28-L30 VanDerWaalsContact C-N 3.34Å; E28-R31 PolarHBondContact O-N 2.76Å; E28-S32 VanDerWaalsContact O-CB 3.27Å; E28-S32 WeakPolarHBondContact O-CB 3.34Å; E28-S32 PolarHBondContact O-N 3.38Å
29S97.8Very high97.8Very high28 Ų2857.8 Ų57.820%0.19630%0.303CS..Hα-helixtrans-67.2-38.5178.969.30000111.3T26 H33 D80T26-S29 PolarHBondContact N-OG 3.49Å; T26-S29 PolarHBondContact O-N 3.25Å; T26-S29 PolarHBondContact O-OG 2.97Å; T26-S29 PolarHBondContact OG1-N 3.31Å; S29-H33 PolarHBondContact O-N 3.03Å; S29-H33 VanDerWaalsContact O-N 3.11Å; S29-D80 WeakPolarHBondContact CB-OD1 3.41Å; S29-D80 WeakPolarHBondContact CB-OD2 3.39Å; S29-D80 PolarHBondContact OG-OD2 2.69Å
30L98.5Very high97.8Very high0 Ų057.9 Ų57.90%030%0.302CS..Hα-helixtrans-62.7-47.9173.7-174.565.1000111.4I18 L21 T25 T26 E28 H33 F34 V45 V60 V79I18-L30 HydrophobicContact CG1-CD1 4.43Å; I18-L30 HydrophobicContact CG2-CD1 4.25Å; L21-L30 HydrophobicContact CD1-CD1 4.39Å; L21-L30 HydrophobicContact CD1-CD2 4.17Å; L21-L30 HydrophobicContact CD2-CD1 3.81Å; T25-L30 HydrophobicContact CG2-CB 4.07Å; T26-L30 VanDerWaalsContact O-CB 3.26Å; T26-L30 WeakPolarHBondContact O-CB 3.5Å; T26-L30 PolarHBondContact O-N 3.36Å; E28-L30 VanDerWaalsContact C-N 3.34Å; L30-H33 PolarHBondContact O-N 3.16Å; L30-F34 HydrophobicContact CD1-CD2 3.61Å; L30-F34 HydrophobicContact CD1-CE2 3.53Å; L30-F34 HydrophobicContact CG-CD2 4.2Å; L30-F34 WeakPolarHBondContact O-CD2 3.13Å; L30-F34 PolarHBondContact O-N 3.36Å; L30-F34 VanDerWaalsContact O-N 3.09Å; L30-V45 HydrophobicContact CB-CG2 4.3Å; L30-V45 HydrophobicContact CD2-CG2 3.97Å; L30-V60 HydrophobicContact CD1-CG1 4.49Å; L30-V60 HydrophobicContact CD2-CG1 3.98Å; L30-V60 HydrophobicContact CG-CG1 3.91Å; L30-V79 HydrophobicContact CD1-CG1 4.47Å
31R98.5Very high97.8Very high75 Ų7560 Ų6028%0.28331%0.309SS..Hα-helixtrans-59.2-52.7177.3173.2177-68.5-83.60.8111.1D27 E28 H33 F34 E35 L40 C43D27-R31 WeakPolarHBondContact O-CB 3.29Å; D27-R31 PolarHBondContact O-N 2.73Å; E28-R31 PolarHBondContact O-N 2.76Å; R31-H33 PolarHBondContact O-N 2.84Å; R31-F34 PolarHBondContact O-N 3.26Å; R31-F34 VanDerWaalsContact O-N 3.15Å; R31-E35 VanDerWaalsContact CD-OE1 3.29Å; R31-E35 WeakPolarHBondContact CD-OE1 3.28Å; R31-E35 HydrophobicContact CG-CG 3.93Å; R31-E35 WeakPolarHBondContact CG-OE1 3.42Å; R31-E35 IonicContact CZ-OE1 2.86Å; R31-E35 IonicContact NH1-OE1 2.9Å; R31-E35 PolarHBondContact NH1-OE1 2.91Å; R31-E35 WeakPolarHBondContact O-CB 3.44Å; R31-E35 WeakPolarHBondContact O-CG 3.22Å; R31-E35 PolarHBondContact O-N 3.46Å; R31-L40 HydrophobicContact CB-CD1 4.35Å; R31-L40 HydrophobicContact CG-CD1 4.18Å; R31-L40 PolarHBondContact NH1-O 3.33Å; R31-C43 HydrophobicContact CB-CB 4.1Å
32S98.1Very high97.8Very high85 Ų8562.9 Ų62.959%0.59432%0.324SS*.Hα-helixtrans-56.6-34.9-179-178.70000112.2E28E28-S32 VanDerWaalsContact O-CB 3.27Å; E28-S32 WeakPolarHBondContact O-CB 3.34Å; E28-S32 PolarHBondContact O-N 3.38Å
33H98.5Very high97.8Very high33 Ų3362.3 Ų62.315%0.15332%0.32CS..Hα-helixtrans-70.7-53175.8-17578.9000111.7S29 L30 R31 E35 Q36 W37 H77 K78 V79S29-H33 PolarHBondContact O-N 3.03Å; S29-H33 VanDerWaalsContact O-N 3.11Å; L30-H33 PolarHBondContact O-N 3.16Å; R31-H33 PolarHBondContact O-N 2.84Å; H33-E35 PolarHBondContact O-N 3.21Å; H33-Q36 PolarHBondContact ND1-NE2 2.84Å; H33-Q36 WeakPolarHBondContact O-CB 3.5Å; H33-Q36 WeakPolarHBondContact O-CG 3.43Å; H33-Q36 PolarHBondContact O-N 2.79Å; H33-Q36 PolarHBondContact O-NE2 3.47Å; H33-W37 AromaticContact CD2-CZ3 3.69Å; H33-W37 AromaticContact CE1-CH2 3.9Å; H33-W37 AromaticContact NE2-CH2 3.53Å; H33-W37 AromaticContact NE2-CZ3 3.63Å; H33-W37 WeakPolarHBondContact O-CZ3 3.26Å; H33-H77 AromaticContact NE2-CG 3.82Å; H33-H77 AromaticContact NE2-ND1 3.34Å; H33-H77 PolarHBondContact NE2-ND1 3.43Å; H33-K78 PolarHBondContact CE1-O 3.28Å; H33-K78 PolarHBondContact ND1-O 2.84Å; H33-V79 HydrophobicContact CB-CG2 4.14Å; H33-V79 VanDerWaalsContact CD2-CG2 3.49Å; H33-V79 WeakPolarHBondContact CD2-CG2 3.33Å
34F98.6Very high97.9Very high0 Ų057.7 Ų57.70%030%0.303CS..Hα-helixtrans-77.4-18.9-172.3-80.8-76.1000114.1I18 L30 R31 Q36 W37 L40 V60 Y62 H77 V79 V84I18-F34 HydrophobicContact CD1-CE1 3.93Å; I18-F34 HydrophobicContact CD1-CE2 3.85Å; I18-F34 HydrophobicContact CD1-CZ 3.47Å; I18-F34 VanDerWaalsContact CD1-CZ 3.47Å; I18-F34 HydrophobicContact CG1-CE2 3.92Å; I18-F34 HydrophobicContact CG1-CZ 4.06Å; I18-F34 HydrophobicContact CG2-CE2 3.98Å; I18-F34 HydrophobicContact CG2-CZ 4.11Å; L30-F34 HydrophobicContact CD1-CD2 3.61Å; L30-F34 HydrophobicContact CD1-CE2 3.53Å; L30-F34 HydrophobicContact CG-CD2 4.2Å; L30-F34 WeakPolarHBondContact O-CD2 3.13Å; L30-F34 PolarHBondContact O-N 3.36Å; L30-F34 VanDerWaalsContact O-N 3.09Å; R31-F34 PolarHBondContact O-N 3.26Å; R31-F34 VanDerWaalsContact O-N 3.15Å; F34-Q36 PolarHBondContact O-N 2.74Å; F34-Q36 VanDerWaalsContact O-N 3.14Å; F34-W37 HydrophobicContact CD1-CE3 4.16Å; F34-W37 HydrophobicContact CD1-CZ3 4.2Å; F34-W37 PolarHBondContact O-N 2.99Å; F34-L40 HydrophobicContact CB-CD1 3.92Å; F34-V60 HydrophobicContact CB-CG1 4.17Å; F34-V60 HydrophobicContact CB-CG2 4.41Å; F34-V60 HydrophobicContact CD1-CG2 4.31Å; F34-V60 HydrophobicContact CD2-CG1 3.96Å; F34-V60 HydrophobicContact CG-CG1 4.16Å; F34-V60 HydrophobicContact CG-CG2 4.15Å; F34-Y62 WeakPolarHBondContact CB-OH 3.4Å; F34-Y62 WeakPolarHBondContact CD1-OH 3.39Å; F34-Y62 WeakPolarHBondContact O-CE1 3.27Å; F34-Y62 PolarHBondContact O-OH 3.13Å; F34-H77 AromaticContact CE1-ND1 3.88Å; F34-H77 HydrophobicContact CZ-CB 4.44Å; F34-V79 HydrophobicContact CE2-CG2 4.1Å; F34-V84 HydrophobicContact CZ-CG2 4.33Å
35E98Very high98Very high88 Ų8850.1 Ų50.141%0.41127%0.268SS..G310 helixtrans-64.8-12.3172-78.8179.5171.300113.4R31 H33 W37 G38 L40R31-E35 VanDerWaalsContact CD-OE1 3.29Å; R31-E35 WeakPolarHBondContact CD-OE1 3.28Å; R31-E35 HydrophobicContact CG-CG 3.93Å; R31-E35 WeakPolarHBondContact CG-OE1 3.42Å; R31-E35 IonicContact CZ-OE1 2.86Å; R31-E35 IonicContact NH1-OE1 2.9Å; R31-E35 PolarHBondContact NH1-OE1 2.91Å; R31-E35 WeakPolarHBondContact O-CB 3.44Å; R31-E35 WeakPolarHBondContact O-CG 3.22Å; R31-E35 PolarHBondContact O-N 3.46Å; H33-E35 PolarHBondContact O-N 3.21Å; E35-W37 PolarHBondContact O-N 3.02Å; E35-G38 VanDerWaalsContact CA-O 3.31Å; E35-G38 WeakPolarHBondContact CA-O 3.49Å; E35-G38 PolarHBondContact O-N 2.99Å; E35-L40 HydrophobicContact CG-CB 4.06Å; E35-L40 HydrophobicContact CG-CD1 3.94Å; E35-L40 HydrophobicContact CG-CG 3.77Å
36Q98.2Very high98Very high134 Ų13452.9 Ų52.963%0.62628%0.282SS*.G310 helixtrans-61.3-22.8172.4-70.6173.977.500113.8H33 F34H33-Q36 PolarHBondContact ND1-NE2 2.84Å; H33-Q36 WeakPolarHBondContact O-CB 3.5Å; H33-Q36 WeakPolarHBondContact O-CG 3.43Å; H33-Q36 PolarHBondContact O-N 2.79Å; H33-Q36 PolarHBondContact O-NE2 3.47Å; F34-Q36 PolarHBondContact O-N 2.74Å; F34-Q36 VanDerWaalsContact O-N 3.14Å
37W98.3Very high98Very high63 Ų6354.8 Ų54.824%0.23928%0.283CS..G310 helixtrans-110.7-0.4-177.3-62.4-80.3000114.1H33 F34 E35 A70 A71 A74 H77H33-W37 AromaticContact CD2-CZ3 3.69Å; H33-W37 AromaticContact CE1-CH2 3.9Å; H33-W37 AromaticContact NE2-CH2 3.53Å; H33-W37 AromaticContact NE2-CZ3 3.63Å; H33-W37 WeakPolarHBondContact O-CZ3 3.26Å; F34-W37 HydrophobicContact CD1-CE3 4.16Å; F34-W37 HydrophobicContact CD1-CZ3 4.2Å; F34-W37 PolarHBondContact O-N 2.99Å; E35-W37 PolarHBondContact O-N 3.02Å; W37-A70 HydrophobicContact CB-CB 4.36Å; W37-A71 HydrophobicContact CB-CB 4.02Å; W37-A71 HydrophobicContact CD2-CB 4.43Å; W37-A71 HydrophobicContact CG-CB 4.2Å; W37-A74 HydrophobicContact CD2-CB 4.46Å; W37-A74 VanDerWaalsContact CE2-CB 3.49Å; W37-A74 HydrophobicContact CZ2-CB 3.76Å; W37-H77 AromaticContact CE2-CE1 3.83Å; W37-H77 AromaticContact CE3-CE1 3.8Å; W37-H77 AromaticContact CH2-CE1 3.33Å; W37-H77 WeakPolarHBondContact CH2-CE1 3.46Å; W37-H77 AromaticContact CH2-ND1 3.06Å; W37-H77 WeakPolarHBondContact CH2-ND1 3.48Å; W37-H77 AromaticContact CZ2-CE1 3.49Å; W37-H77 VanDerWaalsContact CZ2-CE1 3.49Å; W37-H77 WeakPolarHBondContact CZ2-CE1 3.49Å; W37-H77 AromaticContact CZ2-ND1 3.66Å; W37-H77 AromaticContact CZ3-CE1 3.46Å; W37-H77 VanDerWaalsContact CZ3-CE1 3.46Å; W37-H77 WeakPolarHBondContact CZ3-CE1 3.35Å; W37-H77 AromaticContact CZ3-ND1 3.29Å; W37-H77 VanDerWaalsContact CZ3-ND1 3.29Å; W37-H77 WeakPolarHBondContact CZ3-ND1 3.3Å
38G97.6Very high97.9Very high15 Ų1554.9 Ų54.916%0.15528%0.284CS..SBendtrans159.4178.4-178.400000114.2E35 E67E35-G38 VanDerWaalsContact CA-O 3.31Å; E35-G38 WeakPolarHBondContact CA-O 3.49Å; E35-G38 PolarHBondContact O-N 2.99Å; G38-E67 WeakPolarHBondContact CA-OE1 3.37Å
39T97.8Very high97.8Very high93 Ų9353 Ų5357%0.57128%0.283SS*.  trans-83.6119.1-177.5-55.70000111T41 Y62 A63 E67T39-T41 PolarHBondContact O-N 2.87Å; T39-Y62 CarbonylContact O-C 3.52Å; T39-Y62 WeakPolarHBondContact O-CA 3.2Å; T39-A63 PolarHBondContact O-N 2.89Å; T39-E67 PolarHBondContact N-OE1 2.83Å
40L97.9Very high97.8Very high9 Ų958.6 Ų58.65%0.04731%0.311CS..EExtended strand (participates in β ladder)trans-84.5113.9176-66.7-173.2000112.3R31 F34 E35 C43 V60 T61 Y62R31-L40 HydrophobicContact CB-CD1 4.35Å; R31-L40 HydrophobicContact CG-CD1 4.18Å; R31-L40 PolarHBondContact NH1-O 3.33Å; F34-L40 HydrophobicContact CB-CD1 3.92Å; E35-L40 HydrophobicContact CG-CB 4.06Å; E35-L40 HydrophobicContact CG-CD1 3.94Å; E35-L40 HydrophobicContact CG-CG 3.77Å; L40-C43 HydrophobicContact CD1-CB 4.2Å; L40-V60 HydrophobicContact CD1-CB 4.15Å; L40-V60 HydrophobicContact CD1-CG1 4.12Å; L40-V60 HydrophobicContact CD2-CB 3.88Å; L40-V60 HydrophobicContact CD2-CG2 4.46Å; L40-T61 CarbonylContact C-O 3.54Å; L40-T61 WeakPolarHBondContact CA-O 3.48Å; L40-Y62 HydrophobicContact CD2-CD1 3.54Å; L40-Y62 HydrophobicContact CD2-CD2 4.09Å; L40-Y62 HydrophobicContact CD2-CE1 3.47Å; L40-Y62 VanDerWaalsContact CD2-CE1 3.47Å; L40-Y62 HydrophobicContact CD2-CE2 4.07Å; L40-Y62 HydrophobicContact CD2-CG 3.86Å; L40-Y62 HydrophobicContact CG-CE1 4.31Å
41T97.4Very high97.6Very high77 Ų7763.2 Ų63.247%0.47234%0.339SS..EExtended strand (participates in β ladder)trans-75.5-27.1171.460.30000113.1T39 T61 Y62 A63T39-T41 PolarHBondContact O-N 2.87Å; T41-T61 PolarHBondContact N-O 3.11Å; T41-T61 WeakPolarHBondContact OG1-CG2 3.33Å; T41-T61 PolarHBondContact OG1-O 3.25Å; T41-Y62 PolarHBondContact OG1-O 3.21Å; T41-A63 HydrophobicContact CG2-CB 4.11Å
42D97.6Very high97.4Very high65 Ų6566.3 Ų66.335%0.34836%0.355SS..EExtended strand (participates in β ladder)trans-150.4148.2175.4-172.924.5000110T61D42-T61 PolarHBondContact N-O 3.09Å; D42-T61 PolarHBondContact O-N 3.1Å
43C98.1Very high97.2Very high10 Ų1070.6 Ų70.67%0.06836%0.358CS..EExtended strand (participates in β ladder)trans-155.5125.6177.4-177.60000109.1D27 R31 L40 F59D27-C43 PolarHBondContact O-SG 3.13Å; D27-C43 VanDerWaalsContact O-SG 3.35Å; R31-C43 HydrophobicContact CB-CB 4.1Å; L40-C43 HydrophobicContact CD1-CB 4.2Å; C43-F59 WeakPolarHBondContact CA-O 3.2Å
44V98.2Very high97.1Very high41 Ų4169.2 Ų69.225%0.24835%0.352CS..EExtended strand (participates in β ladder)trans-148.5131.5-17760.80000111.9M46 G58 F59V44-M46 HydrophobicContact CG1-SD 4.27Å; V44-M46 HydrophobicContact CG2-SD 4.19Å; V44-G58 CarbonylContact O-C 3.5Å; V44-G58 WeakPolarHBondContact O-CA 3.26Å; V44-F59 HydrophobicContact CG1-CB 4.13Å; V44-F59 HydrophobicContact CG1-CD2 4.41Å; V44-F59 PolarHBondContact N-O 3.19Å; V44-F59 PolarHBondContact O-N 3.28Å
45V98.5Very high97.1Very high5 Ų575.8 Ų75.83%0.0338%0.377CS..EExtended strand (participates in β ladder)trans-90.8124.2165.3179.50000108.8L21 T25 T26 D27 L30 R47L21-V45 HydrophobicContact CD1-CG1 4.25Å; L21-V45 HydrophobicContact CD1-CG2 4.11Å; T25-V45 HydrophobicContact CG2-CG2 4.13Å; T26-V45 WeakPolarHBondContact O-CG2 3.34Å; D27-V45 WeakPolarHBondContact OD1-CA 3.47Å; D27-V45 WeakPolarHBondContact OD1-CB 3.21Å; D27-V45 WeakPolarHBondContact OD1-CG2 3.22Å; D27-V45 PolarHBondContact OD1-N 3.26Å; L30-V45 HydrophobicContact CB-CG2 4.3Å; L30-V45 HydrophobicContact CD2-CG2 3.97Å; V45-R47 PolarHBondContact O-N 3.37Å
46M97.7Very high97.1Very high57 Ų5772.1 Ų72.128%0.28136%0.363SS..EExtended strand (participates in β ladder)trans-74.9123.3-179-62.8-55.8-59.800110.1V44 R55 F57 F59V44-M46 HydrophobicContact CG1-SD 4.27Å; V44-M46 HydrophobicContact CG2-SD 4.19Å; M46-R55 VanDerWaalsContact O-CB 3.3Å; M46-R55 WeakPolarHBondContact O-CB 3.49Å; M46-R55 PolarHBondContact O-N 3.36Å; M46-F57 HydrophobicContact CB-CD1 4.38Å; M46-F57 HydrophobicContact CB-CD2 4.02Å; M46-F57 HydrophobicContact CB-CE1 4Å; M46-F57 HydrophobicContact CB-CE2 3.65Å; M46-F57 HydrophobicContact CB-CG 4.39Å; M46-F57 HydrophobicContact CB-CZ 3.61Å; M46-F57 WeakPolarHBondContact CB-O 3.49Å; M46-F57 HydrophobicContact CG-CD2 3.78Å; M46-F57 HydrophobicContact CG-CE2 3.35Å; M46-F57 HydrophobicContact CG-CZ 3.81Å; M46-F57 PolarHBondContact N-O 2.94Å; M46-F59 HydrophobicContact CG-CD2 4.14Å; M46-F59 HydrophobicContact CG-CE2 4.02Å; M46-F59 HydrophobicContact SD-CD2 4.27Å; M46-F59 HydrophobicContact SD-CE2 4.34Å
47R97.8Very high97Very high90 Ų9067.7 Ų67.734%0.3434%0.341SS..EExtended strand (participates in β ladder)trans-116.1153-178.5-66.7171.9-174-77.3-9.4111.1T25 V45 K52 R53T25-R47 PolarHBondContact O-NH2 3.17Å; T25-R47 VanDerWaalsContact O-NH2 3.11Å; V45-R47 PolarHBondContact O-N 3.37Å; R47-K52 WeakPolarHBondContact CD-O 3.26Å; R47-K52 PolarHBondContact NH1-O 3.28Å; R47-R53 CarbonylContact C-O 3.58Å; R47-R53 VanDerWaalsContact CA-O 3.26Å; R47-R53 WeakPolarHBondContact CA-O 3.4Å
48D95.6Very high97Very high53 Ų5364.7 Ų64.728%0.28333%0.33SS..  trans-65.4128.9169.6177.2-95000109.4N50 T51 K52 R53D48-N50 PolarHBondContact O-N 2.88Å; D48-N50 WeakPolarHBondContact OD1-CA 3.3Å; D48-N50 WeakPolarHBondContact OD1-CB 3.34Å; D48-N50 PolarHBondContact OD1-N 3.48Å; D48-T51 VanDerWaalsContact CB-OG1 3.3Å; D48-T51 WeakPolarHBondContact CB-OG1 3.35Å; D48-T51 PolarHBondContact OD1-N 2.77Å; D48-T51 PolarHBondContact OD1-OG1 2.9Å; D48-K52 VanDerWaalsContact O-CA 3.26Å; D48-K52 WeakPolarHBondContact O-CA 3.41Å; D48-K52 PolarHBondContact O-N 3.37Å; D48-R53 PolarHBondContact N-O 3.25Å
49P95.7Very high97.1Very high92 Ų9266.3 Ų66.360%0.59733%0.333SS*.THydrogen-bonded Turntrans-59.9-30.7-174.9-26.234.9000114.1K52P49-K52 WeakPolarHBondContact O-CE 3.11Å; P49-K52 PolarHBondContact O-NZ 3.25Å
50N96.3Very high97.1Very high146 Ų14661.9 Ų61.978%0.78131%0.306SS*.THydrogen-bonded Turntrans-89.3-52.9-173.5-58.4-44000111.5D48D48-N50 PolarHBondContact O-N 2.88Å; D48-N50 WeakPolarHBondContact OD1-CA 3.3Å; D48-N50 WeakPolarHBondContact OD1-CB 3.34Å; D48-N50 PolarHBondContact OD1-N 3.48Å
51T95.6Very high97.1Very high97 Ų9761.5 Ų61.560%0.59530%0.304SS*.THydrogen-bonded Turntrans-87.5-13-174.462.80000113.6D48 R53D48-T51 VanDerWaalsContact CB-OG1 3.3Å; D48-T51 WeakPolarHBondContact CB-OG1 3.35Å; D48-T51 PolarHBondContact OD1-N 2.77Å; D48-T51 PolarHBondContact OD1-OG1 2.9Å; T51-R53 PolarHBondContact O-N 3.24Å; T51-R53 PolarHBondContact OG1-N 2.87Å
52K93.9Very high97.2Very high140 Ų14057.8 Ų57.861%0.60928%0.281SS*.  trans57.98-172.3-51.9-54-173.2-166.40114.8R47 D48 P49R47-K52 WeakPolarHBondContact CD-O 3.26Å; R47-K52 PolarHBondContact NH1-O 3.28Å; D48-K52 VanDerWaalsContact O-CA 3.26Å; D48-K52 WeakPolarHBondContact O-CA 3.41Å; D48-K52 PolarHBondContact O-N 3.37Å; P49-K52 WeakPolarHBondContact O-CE 3.11Å; P49-K52 PolarHBondContact O-NZ 3.25Å
53R94.7Very high97.1Very high174 Ų17456.5 Ų56.566%0.65728%0.279SS*.  trans-69.6140.2175.9-174.2-178.9-85.7-165.8-5.2109.8R47 D48 T51R47-R53 CarbonylContact C-O 3.58Å; R47-R53 VanDerWaalsContact CA-O 3.26Å; R47-R53 WeakPolarHBondContact CA-O 3.4Å; D48-R53 PolarHBondContact N-O 3.25Å; T51-R53 PolarHBondContact O-N 3.24Å; T51-R53 PolarHBondContact OG1-N 2.87Å
54S96.6Very high97Very high5 Ų558.3 Ų58.34%0.03529%0.29CS..EExtended strand (participates in β ladder)trans-56.3139171.41720000110.8F23 G56F23-S54 WeakPolarHBondContact CD1-O 3.22Å; F23-S54 WeakPolarHBondContact O-CB 3.16Å; S54-G56 VanDerWaalsContact C-N 3.25Å; S54-G56 PolarHBondContact OG-N 2.79Å; S54-G56 VanDerWaalsContact OG-N 3.09Å
55R97.4Very high96.9Very high137 Ų13757.6 Ų57.652%0.51729%0.286SS..EExtended strand (participates in β ladder)trans-87.85174.1-62.9171.661.6-168.8-3.7112M46 F57M46-R55 VanDerWaalsContact O-CB 3.3Å; M46-R55 WeakPolarHBondContact O-CB 3.49Å; M46-R55 PolarHBondContact O-N 3.36Å; R55-F57 VanDerWaalsContact C-N 3.32Å; R55-F57 HydrophobicContact CB-CD1 3.77Å; R55-F57 HydrophobicContact CB-CE1 3.53Å; R55-F57 HydrophobicContact CG-CE1 4.45Å
56G97.5Very high96.8Very high12 Ų1264.7 Ų64.712%0.12432%0.319CS..EExtended strand (participates in β ladder)trans75.118.4179.400000114.2G20 L21 S54G20-G56 PolarHBondContact N-O 2.99Å; L21-G56 PolarHBondContact N-O 3.29Å; S54-G56 VanDerWaalsContact C-N 3.25Å; S54-G56 PolarHBondContact OG-N 2.79Å; S54-G56 VanDerWaalsContact OG-N 3.09Å
57F97.9Very high96.8Very high40 Ų4063.6 Ų63.618%0.17531%0.313CS..EExtended strand (participates in β ladder)trans-149.9160.7172.974.1-83.7000111.7F17 I18 L21 M46 R55 F59F17-F57 HydrophobicContact CD2-CD2 4.12Å; F17-F57 HydrophobicContact CE2-CB 3.75Å; F17-F57 AromaticContact CE2-CD2 3.47Å; F17-F57 HydrophobicContact CE2-CD2 3.47Å; F17-F57 VanDerWaalsContact CE2-CD2 3.47Å; F17-F57 HydrophobicContact CE2-CE2 4.27Å; F17-F57 AromaticContact CE2-CG 3.84Å; F17-F57 HydrophobicContact CE2-CG 3.84Å; F17-F57 HydrophobicContact CZ-CB 3.87Å; F17-F57 HydrophobicContact CZ-CD2 4.39Å; F17-F57 HydrophobicContact CZ-CG 4.33Å; I18-F57 CarbonylContact O-C 3.57Å; I18-F57 WeakPolarHBondContact O-CA 3.19Å; I18-F57 WeakPolarHBondContact O-CB 3.27Å; L21-F57 VanDerWaalsContact CD1-C 3.49Å; M46-F57 HydrophobicContact CB-CD1 4.38Å; M46-F57 HydrophobicContact CB-CD2 4.02Å; M46-F57 HydrophobicContact CB-CE1 4Å; M46-F57 HydrophobicContact CB-CE2 3.65Å; M46-F57 HydrophobicContact CB-CG 4.39Å; M46-F57 HydrophobicContact CB-CZ 3.61Å; M46-F57 WeakPolarHBondContact CB-O 3.49Å; M46-F57 HydrophobicContact CG-CD2 3.78Å; M46-F57 HydrophobicContact CG-CE2 3.35Å; M46-F57 HydrophobicContact CG-CZ 3.81Å; M46-F57 PolarHBondContact N-O 2.94Å; R55-F57 VanDerWaalsContact C-N 3.32Å; R55-F57 HydrophobicContact CB-CD1 3.77Å; R55-F57 HydrophobicContact CB-CE1 3.53Å; R55-F57 HydrophobicContact CG-CE1 4.45Å; F57-F59 HydrophobicContact CD2-CE2 4.21Å; F57-F59 AromaticContact CE2-CE2 3.95Å; F57-F59 HydrophobicContact CE2-CE2 3.95Å; F57-F59 HydrophobicContact CE2-CZ 4.4Å
58G98.1Very high96.8Very high0 Ų059.3 Ų59.30%030%0.297CS..EExtended strand (participates in β ladder)trans-153.7-175.5179.700000112.2I18 V44I18-G58 PolarHBondContact N-O 3.39Å; I18-G58 PolarHBondContact O-N 2.94Å; V44-G58 CarbonylContact O-C 3.5Å; V44-G58 WeakPolarHBondContact O-CA 3.26Å
59F98.4Very high96.9Very high49 Ų4958.9 Ų58.922%0.21529%0.294CS..EExtended strand (participates in β ladder)trans-133.2144.4174.1-62.5-88.9000110.4K15 L16 F17 C43 V44 M46 F57 A89K15-F59 HydrophobicContact CD-CD1 4.33Å; K15-F59 HydrophobicContact CG-CB 4.45Å; K15-F59 HydrophobicContact CG-CD1 4.27Å; L16-F59 VanDerWaalsContact O-CA 3.24Å; L16-F59 WeakPolarHBondContact O-CA 3.34Å; F17-F59 HydrophobicContact CB-CD1 4.24Å; F17-F59 HydrophobicContact CB-CE1 3.94Å; F17-F59 AromaticContact CD2-CE1 3.87Å; F17-F59 HydrophobicContact CD2-CE1 3.87Å; F17-F59 AromaticContact CD2-CZ 3.94Å; F17-F59 HydrophobicContact CD2-CZ 3.94Å; F17-F59 HydrophobicContact CG-CE1 4.42Å; C43-F59 WeakPolarHBondContact CA-O 3.2Å; V44-F59 HydrophobicContact CG1-CB 4.13Å; V44-F59 HydrophobicContact CG1-CD2 4.41Å; V44-F59 PolarHBondContact N-O 3.19Å; V44-F59 PolarHBondContact O-N 3.28Å; M46-F59 HydrophobicContact CG-CD2 4.14Å; M46-F59 HydrophobicContact CG-CE2 4.02Å; M46-F59 HydrophobicContact SD-CD2 4.27Å; M46-F59 HydrophobicContact SD-CE2 4.34Å; F57-F59 HydrophobicContact CD2-CE2 4.21Å; F57-F59 AromaticContact CE2-CE2 3.95Å; F57-F59 HydrophobicContact CE2-CE2 3.95Å; F57-F59 HydrophobicContact CE2-CZ 4.4Å; F59-A89 HydrophobicContact CD1-CB 4.46Å; F59-A89 HydrophobicContact CE1-CB 4.45Å
60V98.5Very high97Very high0 Ų056.4 Ų56.40%028%0.282CS..EExtended strand (participates in β ladder)trans-126.5136.8168.6-60.20000108.3K15 L16 I18 L30 F34 L40 Y62K15-V60 WeakPolarHBondContact CA-O 3.47Å; L16-V60 HydrophobicContact CB-CG2 3.82Å; L16-V60 HydrophobicContact CD1-CG2 4.35Å; L16-V60 HydrophobicContact CG-CG2 4.5Å; L16-V60 PolarHBondContact N-O 3.35Å; L16-V60 PolarHBondContact O-N 3.36Å; L16-V60 VanDerWaalsContact O-N 3.1Å; I18-V60 HydrophobicContact CD1-CG2 3.98Å; I18-V60 HydrophobicContact CG1-CG1 4.3Å; I18-V60 HydrophobicContact CG1-CG2 4.15Å; L30-V60 HydrophobicContact CD1-CG1 4.49Å; L30-V60 HydrophobicContact CD2-CG1 3.98Å; L30-V60 HydrophobicContact CG-CG1 3.91Å; F34-V60 HydrophobicContact CB-CG1 4.17Å; F34-V60 HydrophobicContact CB-CG2 4.41Å; F34-V60 HydrophobicContact CD1-CG2 4.31Å; F34-V60 HydrophobicContact CD2-CG1 3.96Å; F34-V60 HydrophobicContact CG-CG1 4.16Å; F34-V60 HydrophobicContact CG-CG2 4.15Å; L40-V60 HydrophobicContact CD1-CB 4.15Å; L40-V60 HydrophobicContact CD1-CG1 4.12Å; L40-V60 HydrophobicContact CD2-CB 3.88Å; L40-V60 HydrophobicContact CD2-CG2 4.46Å; V60-Y62 HydrophobicContact CG2-CE2 4.17Å
61T98.2Very high97.1Very high1 Ų149.5 Ų49.51%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-121.8112.6179.4-520000109.2E11 R14 K15 L40 T41 D42E11-T61 HydrophobicContact CG-CG2 3.68Å; R14-T61 HydrophobicContact CB-CG2 4.33Å; R14-T61 CarbonylContact O-C 3.44Å; R14-T61 WeakPolarHBondContact O-CA 3.26Å; K15-T61 HydrophobicContact CB-CG2 4.41Å; L40-T61 CarbonylContact C-O 3.54Å; L40-T61 WeakPolarHBondContact CA-O 3.48Å; T41-T61 PolarHBondContact N-O 3.11Å; T41-T61 WeakPolarHBondContact OG1-CG2 3.33Å; T41-T61 PolarHBondContact OG1-O 3.25Å; D42-T61 PolarHBondContact N-O 3.09Å; D42-T61 PolarHBondContact O-N 3.1Å
62Y98.4Very high97.2Very high0 Ų044.9 Ų44.90%022%0.217CC..EExtended strand (participates in β ladder)trans-77.4168.8178.2-77-76.1000112.7R14 L16 F34 T39 L40 T41 V60 E67 V68 A71R14-Y62 PolarHBondContact NH1-O 2.96Å; R14-Y62 PolarHBondContact O-N 3.08Å; L16-Y62 HydrophobicContact CD1-CE2 4.07Å; F34-Y62 WeakPolarHBondContact CB-OH 3.4Å; F34-Y62 WeakPolarHBondContact CD1-OH 3.39Å; F34-Y62 WeakPolarHBondContact O-CE1 3.27Å; F34-Y62 PolarHBondContact O-OH 3.13Å; T39-Y62 CarbonylContact O-C 3.52Å; T39-Y62 WeakPolarHBondContact O-CA 3.2Å; L40-Y62 HydrophobicContact CD2-CD1 3.54Å; L40-Y62 HydrophobicContact CD2-CD2 4.09Å; L40-Y62 HydrophobicContact CD2-CE1 3.47Å; L40-Y62 VanDerWaalsContact CD2-CE1 3.47Å; L40-Y62 HydrophobicContact CD2-CE2 4.07Å; L40-Y62 HydrophobicContact CD2-CG 3.86Å; L40-Y62 HydrophobicContact CG-CE1 4.31Å; T41-Y62 PolarHBondContact OG1-O 3.21Å; V60-Y62 HydrophobicContact CG2-CE2 4.17Å; Y62-E67 HydrophobicContact CD1-CB 3.57Å; Y62-E67 HydrophobicContact CD1-CG 4.44Å; Y62-E67 HydrophobicContact CE1-CB 4.3Å; Y62-E67 HydrophobicContact CG-CB 3.75Å; Y62-V68 HydrophobicContact CD2-CB 4.46Å; Y62-V68 HydrophobicContact CD2-CG2 3.87Å; Y62-V68 HydrophobicContact CG-CG2 4.36Å; Y62-A71 HydrophobicContact CE2-CB 3.81Å; Y62-A71 WeakPolarHBondContact OH-CB 3.05Å
63A96.8Very high97.3Very high37 Ų3743.9 Ų43.931%0.30622%0.218SC..SBendtrans-77.6-30.5176.200000112R14 T39 T41 E67R14-A63 VanDerWaalsContact CD-C 3.49Å; R14-A63 WeakPolarHBondContact CD-O 3.45Å; T39-A63 PolarHBondContact O-N 2.89Å; T41-A63 HydrophobicContact CG2-CB 4.11Å; A63-E67 WeakPolarHBondContact CA-OE2 3.36Å; A63-E67 WeakPolarHBondContact CB-OE2 3.4Å; A63-E67 PolarHBondContact N-OE2 3.36Å
64T96.2Very high97.5Very high48 Ų4837.3 Ų37.329%0.29420%0.201SC..SBendtrans-134.3161177.369.40000112.6E9 E66 E67E9-T64 WeakPolarHBondContact OE2-CA 3.48Å; T64-E66 VanDerWaalsContact C-N 3.28Å; T64-E67 PolarHBondContact N-OE2 2.82Å; T64-E67 VanDerWaalsContact N-OE2 3.09Å; T64-E67 PolarHBondContact O-N 3.04Å; T64-E67 WeakPolarHBondContact OG1-CG 3.5Å; T64-E67 PolarHBondContact OG1-N 2.89Å
65V95.6Very high97.6Very high27 Ų2740 Ų4016%0.16421%0.211CC..Hα-helixtrans-66.3-32173.1173.20000111.3E9 L13 R14 E67 V68 D69E9-V65 HydrophobicContact CB-CG2 4.22Å; E9-V65 VanDerWaalsContact CD-CG2 3.49Å; E9-V65 HydrophobicContact CG-CG2 4.39Å; E9-V65 WeakPolarHBondContact OE2-CG2 3.43Å; E9-V65 PolarHBondContact OE2-N 2.84Å; L13-V65 HydrophobicContact CB-CG2 3.68Å; R14-V65 HydrophobicContact CG-CG2 3.79Å; V65-E67 VanDerWaalsContact C-N 3.31Å; V65-E67 PolarHBondContact O-N 2.86Å; V65-V68 WeakPolarHBondContact O-CA 3.47Å; V65-V68 VanDerWaalsContact O-CB 3.23Å; V65-V68 WeakPolarHBondContact O-CB 3.39Å; V65-V68 PolarHBondContact O-N 3.13Å; V65-D69 PolarHBondContact O-N 3.46Å
66E96.3Very high97.6Very high154 Ų15438.7 Ų38.772%0.7222%0.22SC*.Hα-helixtrans-59.7-39.9176.7-63.1175.6177.900112.2T64 V68 D69 A70T64-E66 VanDerWaalsContact C-N 3.28Å; E66-V68 VanDerWaalsContact C-N 3.31Å; E66-V68 PolarHBondContact O-N 2.66Å; E66-D69 PolarHBondContact O-N 2.85Å; E66-A70 PolarHBondContact O-N 3.34Å
67E97.9Very high97.6Very high34 Ų3438.3 Ų38.316%0.15922%0.215CC..Hα-helixtrans-66.7-33.6174.7-67.9173.1144.800111.7G38 T39 Y62 A63 T64 V65 A70 A71G38-E67 WeakPolarHBondContact CA-OE1 3.37Å; T39-E67 PolarHBondContact N-OE1 2.83Å; Y62-E67 HydrophobicContact CD1-CB 3.57Å; Y62-E67 HydrophobicContact CD1-CG 4.44Å; Y62-E67 HydrophobicContact CE1-CB 4.3Å; Y62-E67 HydrophobicContact CG-CB 3.75Å; A63-E67 WeakPolarHBondContact CA-OE2 3.36Å; A63-E67 WeakPolarHBondContact CB-OE2 3.4Å; A63-E67 PolarHBondContact N-OE2 3.36Å; T64-E67 PolarHBondContact N-OE2 2.82Å; T64-E67 VanDerWaalsContact N-OE2 3.09Å; T64-E67 PolarHBondContact O-N 3.04Å; T64-E67 WeakPolarHBondContact OG1-CG 3.5Å; T64-E67 PolarHBondContact OG1-N 2.89Å; V65-E67 VanDerWaalsContact C-N 3.31Å; V65-E67 PolarHBondContact O-N 2.86Å; E67-A70 PolarHBondContact O-N 2.84Å; E67-A71 PolarHBondContact O-N 3.02Å
68V97.6Very high97.6Very high0 Ų042.7 Ų42.70%023%0.234CC..Hα-helixtrans-64-46.8171.1-174.30000110.9R14 L16 Y62 V65 E66 A70 A71 M72R14-V68 HydrophobicContact CB-CG2 4.45Å; R14-V68 WeakPolarHBondContact O-CG2 3.43Å; L16-V68 HydrophobicContact CD1-CG1 4.06Å; L16-V68 HydrophobicContact CD2-CG1 3.41Å; L16-V68 VanDerWaalsContact CD2-CG1 3.41Å; L16-V68 HydrophobicContact CG-CG1 3.68Å; Y62-V68 HydrophobicContact CD2-CB 4.46Å; Y62-V68 HydrophobicContact CD2-CG2 3.87Å; Y62-V68 HydrophobicContact CG-CG2 4.36Å; V65-V68 WeakPolarHBondContact O-CA 3.47Å; V65-V68 VanDerWaalsContact O-CB 3.23Å; V65-V68 WeakPolarHBondContact O-CB 3.39Å; V65-V68 PolarHBondContact O-N 3.13Å; E66-V68 VanDerWaalsContact C-N 3.31Å; E66-V68 PolarHBondContact O-N 2.66Å; V68-A70 VanDerWaalsContact C-N 3.31Å; V68-A70 PolarHBondContact O-N 2.77Å; V68-A71 PolarHBondContact O-N 2.64Å; V68-M72 HydrophobicContact CG1-CG 4.24Å; V68-M72 WeakPolarHBondContact O-CB 3.34Å; V68-M72 WeakPolarHBondContact O-CG 3.27Å; V68-M72 PolarHBondContact O-N 3.04Å
69D96.9Very high97.6Very high43 Ų4342.8 Ų42.823%0.2323%0.234CC..Hα-helixtrans-60.6-41.8177-75.2-47.9000111.1V65 E66 A71 M72 N73 R88 K161V65-D69 PolarHBondContact O-N 3.46Å; E66-D69 PolarHBondContact O-N 2.85Å; D69-A71 PolarHBondContact O-N 3.16Å; D69-M72 PolarHBondContact O-N 2.73Å; D69-N73 VanDerWaalsContact O-CB 3.31Å; D69-N73 WeakPolarHBondContact O-CB 3.25Å; D69-N73 PolarHBondContact O-N 3.09Å; D69-N73 PolarHBondContact O-ND2 2.94Å; D69-N73 VanDerWaalsContact O-ND2 3.13Å; D69-R88 IonicContact OD1-CZ 3.87Å; D69-R88 IonicContact OD1-NH1 3.68Å; D69-R88 IonicContact OD1-NH2 2.77Å; D69-R88 PolarHBondContact OD1-NH2 3.06Å; D69-K161 IonicContact OD1-NZ 2.93Å; D69-K161 PolarHBondContact OD1-NZ 3.44Å
70A97.9Very high97.6Very high41 Ų4144.1 Ų44.134%0.33924%0.244SC..Hα-helixtrans-59.8-46175.600000112W37 E66 E67 V68 N73 A74W37-A70 HydrophobicContact CB-CB 4.36Å; E66-A70 PolarHBondContact O-N 3.34Å; E67-A70 PolarHBondContact O-N 2.84Å; V68-A70 VanDerWaalsContact C-N 3.31Å; V68-A70 PolarHBondContact O-N 2.77Å; A70-N73 PolarHBondContact O-N 3.14Å; A70-A74 PolarHBondContact O-N 3.19Å
71A98.4Very high97.5Very high0 Ų047 Ų470%027%0.273CS..Hα-helixtrans-62.3-49.9174.500000111.1L16 W37 Y62 E67 V68 D69 N73 A74 H77L16-A71 HydrophobicContact CD1-CB 4.11Å; W37-A71 HydrophobicContact CB-CB 4.02Å; W37-A71 HydrophobicContact CD2-CB 4.43Å; W37-A71 HydrophobicContact CG-CB 4.2Å; Y62-A71 HydrophobicContact CE2-CB 3.81Å; Y62-A71 WeakPolarHBondContact OH-CB 3.05Å; E67-A71 PolarHBondContact O-N 3.02Å; V68-A71 PolarHBondContact O-N 2.64Å; D69-A71 PolarHBondContact O-N 3.16Å; A71-N73 VanDerWaalsContact C-N 3.28Å; A71-N73 PolarHBondContact O-N 3.46Å; A71-A74 PolarHBondContact O-N 2.9Å; A71-H77 PolarHBondContact O-CE1 2.84Å; A71-H77 PolarHBondContact O-NE2 3.48Å
72M97.9Very high97.4Very high0 Ų053.6 Ų53.60%030%0.298CS..Hα-helixtrans-61.4-34.5-179.9-71-59.5-71.800112.8L16 V68 D69 A74 R75 P86 D157L16-M72 HydrophobicContact CD1-CG 4.34Å; L16-M72 HydrophobicContact CD1-SD 4.11Å; L16-M72 HydrophobicContact CD2-CG 3.91Å; L16-M72 HydrophobicContact CD2-SD 3.62Å; V68-M72 HydrophobicContact CG1-CG 4.24Å; V68-M72 WeakPolarHBondContact O-CB 3.34Å; V68-M72 WeakPolarHBondContact O-CG 3.27Å; V68-M72 PolarHBondContact O-N 3.04Å; D69-M72 PolarHBondContact O-N 2.73Å; M72-A74 VanDerWaalsContact C-N 3.27Å; M72-A74 PolarHBondContact O-N 3.12Å; M72-R75 VanDerWaalsContact O-CZ 3.31Å; M72-R75 PolarHBondContact O-NE 2.85Å; M72-R75 PolarHBondContact O-NH2 3.28Å; M72-P86 HydrophobicContact SD-CB 3.92Å; M72-P86 HydrophobicContact SD-CG 4.23Å; M72-D157 HydrophobicContact CE-CB 3.73Å; M72-D157 VanDerWaalsContact CE-OD1 3.27Å; M72-D157 WeakPolarHBondContact CE-OD1 3.08Å
73N97.1Very high97.4Very high119 Ų11958.3 Ų58.364%0.63633%0.326SS*.Hα-helixtrans-73.4-18.8177-70-25.7000113.2D69 A70 A71 R75D69-N73 VanDerWaalsContact O-CB 3.31Å; D69-N73 WeakPolarHBondContact O-CB 3.25Å; D69-N73 PolarHBondContact O-N 3.09Å; D69-N73 PolarHBondContact O-ND2 2.94Å; D69-N73 VanDerWaalsContact O-ND2 3.13Å; A70-N73 PolarHBondContact O-N 3.14Å; A71-N73 VanDerWaalsContact C-N 3.28Å; A71-N73 PolarHBondContact O-N 3.46Å; N73-R75 VanDerWaalsContact C-N 3.33Å
74A98.1Very high97.5Very high37 Ų3756.9 Ų56.931%0.30631%0.314SS..THydrogen-bonded Turntrans-89.58.917900000114.2W37 A70 A71 M72W37-A74 HydrophobicContact CD2-CB 4.46Å; W37-A74 VanDerWaalsContact CE2-CB 3.49Å; W37-A74 HydrophobicContact CZ2-CB 3.76Å; A70-A74 PolarHBondContact O-N 3.19Å; A71-A74 PolarHBondContact O-N 2.9Å; M72-A74 VanDerWaalsContact C-N 3.27Å; M72-A74 PolarHBondContact O-N 3.12Å
75R97.6Very high97.5Very high61 Ų6158.6 Ų58.623%0.2332%0.319CS..PPolyproline II helixtrans-58.5145171.9-81.9175.5-73.8152.113.9111M72 N73 P86 D155 H156M72-R75 VanDerWaalsContact O-CZ 3.31Å; M72-R75 PolarHBondContact O-NE 2.85Å; M72-R75 PolarHBondContact O-NH2 3.28Å; N73-R75 VanDerWaalsContact C-N 3.33Å; R75-P86 HydrophobicContact CG-CG 3.59Å; R75-D155 IonicContact CZ-OD1 3.88Å; R75-D155 IonicContact CZ-OD2 2.73Å; R75-D155 VanDerWaalsContact CZ-OD2 3.3Å; R75-D155 IonicContact NH1-OD1 2.56Å; R75-D155 PolarHBondContact NH1-OD1 2.95Å; R75-D155 IonicContact NH1-OD2 3.85Å; R75-D155 PolarHBondContact NH1-OD2 2.86Å; R75-D155 VanDerWaalsContact NH1-OD2 3.08Å; R75-D155 IonicContact NH2-OD1 2.94Å; R75-D155 IonicContact NH2-OD2 3.67Å; R75-D155 PolarHBondContact NH2-OD2 3.1Å; R75-H156 PolarHBondContact NH1-CD2 3.3Å; R75-H156 PolarHBondContact NH1-CE1 2.85Å; R75-H156 PolarHBondContact NH1-NE2 3.47Å
76P97.5Very high97.6Very high110 Ų11057.4 Ų57.471%0.71431%0.311SS*.SBendcis-82.4143.73.332.5-34.8000113.4V83P76-V83 HydrophobicContact CB-CG1 4.45Å
77H98.4Very high97.7Very high4 Ų451.1 Ų51.12%0.01928%0.282CS..EExtended strand (participates in β ladder)trans-96.1145.7174-65.2-96.9000111.4H33 F34 W37 A71 V83 V84H33-H77 AromaticContact NE2-CG 3.82Å; H33-H77 AromaticContact NE2-ND1 3.34Å; H33-H77 PolarHBondContact NE2-ND1 3.43Å; F34-H77 AromaticContact CE1-ND1 3.88Å; F34-H77 HydrophobicContact CZ-CB 4.44Å; W37-H77 AromaticContact CE2-CE1 3.83Å; W37-H77 AromaticContact CE3-CE1 3.8Å; W37-H77 AromaticContact CH2-CE1 3.33Å; W37-H77 WeakPolarHBondContact CH2-CE1 3.46Å; W37-H77 AromaticContact CH2-ND1 3.06Å; W37-H77 WeakPolarHBondContact CH2-ND1 3.48Å; W37-H77 AromaticContact CZ2-CE1 3.49Å; W37-H77 VanDerWaalsContact CZ2-CE1 3.49Å; W37-H77 WeakPolarHBondContact CZ2-CE1 3.49Å; W37-H77 AromaticContact CZ2-ND1 3.66Å; W37-H77 AromaticContact CZ3-CE1 3.46Å; W37-H77 VanDerWaalsContact CZ3-CE1 3.46Å; W37-H77 WeakPolarHBondContact CZ3-CE1 3.35Å; W37-H77 AromaticContact CZ3-ND1 3.29Å; W37-H77 VanDerWaalsContact CZ3-ND1 3.29Å; W37-H77 WeakPolarHBondContact CZ3-ND1 3.3Å; A71-H77 PolarHBondContact O-CE1 2.84Å; A71-H77 PolarHBondContact O-NE2 3.48Å; H77-V83 WeakPolarHBondContact O-CA 3.38Å; H77-V84 HydrophobicContact CB-CG2 3.57Å; H77-V84 PolarHBondContact O-N 3.17Å
78K98.1Very high97.6Very high132 Ų13250 Ų5057%0.57428%0.276SS*.EExtended strand (participates in β ladder)trans-125.7115.1173.4-169.8178.9-176.5-175.60109.6H33 G81 R82H33-K78 PolarHBondContact CE1-O 3.28Å; H33-K78 PolarHBondContact ND1-O 2.84Å; K78-G81 WeakPolarHBondContact CE-O 3.42Å; K78-R82 CarbonylContact C-O 3.49Å; K78-R82 VanDerWaalsContact CA-O 3.28Å; K78-R82 WeakPolarHBondContact CA-O 3.39Å
79V98.2Very high97.5Very high2 Ų250.1 Ų50.11%0.01228%0.277CS..EExtended strand (participates in β ladder)trans-115.6128.8179.3-175.10000108T25 L30 H33 F34 G81 R82 V84T25-V79 HydrophobicContact CG2-CG1 3.97Å; L30-V79 HydrophobicContact CD1-CG1 4.47Å; H33-V79 HydrophobicContact CB-CG2 4.14Å; H33-V79 VanDerWaalsContact CD2-CG2 3.49Å; H33-V79 WeakPolarHBondContact CD2-CG2 3.33Å; F34-V79 HydrophobicContact CE2-CG2 4.1Å; V79-G81 PolarHBondContact O-N 2.88Å; V79-G81 VanDerWaalsContact O-N 3.17Å; V79-R82 PolarHBondContact N-O 3.04Å; V79-R82 PolarHBondContact O-N 2.79Å; V79-V84 HydrophobicContact CB-CG1 3.95Å; V79-V84 HydrophobicContact CG2-CG1 3.97Å; V79-V84 HydrophobicContact CG2-CG2 3.93Å
80D97.4Very high97.3Very high76 Ų7650 Ų5041%0.40628%0.278SS..THydrogen-bonded Turntrans47.845.7-179.4-55.4-41.3000113.2T25 S29 R82T25-D80 WeakPolarHBondContact CA-OD2 3.26Å; T25-D80 VanDerWaalsContact CB-OD2 3.23Å; T25-D80 WeakPolarHBondContact CB-OD2 3.16Å; T25-D80 WeakPolarHBondContact CG2-OD2 3.28Å; T25-D80 PolarHBondContact OG1-OD2 2.92Å; S29-D80 WeakPolarHBondContact CB-OD1 3.41Å; S29-D80 WeakPolarHBondContact CB-OD2 3.39Å; S29-D80 PolarHBondContact OG-OD2 2.69Å; D80-R82 PolarHBondContact O-N 3.07Å
81G96.1Very high96.9Very high60 Ų6048.9 Ų48.962%0.61927%0.267SS*.THydrogen-bonded Turntrans80.5-8.8178.700000115.3K78 V79K78-G81 WeakPolarHBondContact CE-O 3.42Å; V79-G81 PolarHBondContact O-N 2.88Å; V79-G81 VanDerWaalsContact O-N 3.17Å
82R97.6Very high96.4Very high141 Ų14159 Ų5953%0.53231%0.306SS..EExtended strand (participates in β ladder)trans-109.9135.7-175-169.6170.717797.63.5112G20 K78 V79 D80 V84G20-R82 WeakPolarHBondContact O-CD 3.42Å; G20-R82 WeakPolarHBondContact O-CG 3.19Å; G20-R82 PolarHBondContact O-NE 3.41Å; K78-R82 CarbonylContact C-O 3.49Å; K78-R82 VanDerWaalsContact CA-O 3.28Å; K78-R82 WeakPolarHBondContact CA-O 3.39Å; V79-R82 PolarHBondContact N-O 3.04Å; V79-R82 PolarHBondContact O-N 2.79Å; D80-R82 PolarHBondContact O-N 3.07Å; R82-V84 PolarHBondContact O-N 3.34Å
83V98Very high95.9Very high98 Ų9865.9 Ų65.959%0.59434%0.338SS*.EExtended strand (participates in β ladder)trans-71127.2172.9179.70000108.8P76 H77P76-V83 HydrophobicContact CB-CG1 4.45Å; H77-V83 WeakPolarHBondContact O-CA 3.38Å
84V98.2Very high95.4Very high8 Ų861.9 Ų61.95%0.04832%0.316CS..EExtended strand (participates in β ladder)trans-110.3156.7-177.2-55.90000110.7I18 G19 L21 F34 H77 V79 R82 P86I18-V84 HydrophobicContact CG2-CB 3.88Å; I18-V84 HydrophobicContact CG2-CG1 4.43Å; I18-V84 HydrophobicContact CG2-CG2 3.9Å; G19-V84 WeakPolarHBondContact O-CA 3.39Å; L21-V84 HydrophobicContact CD2-CB 4.41Å; L21-V84 HydrophobicContact CD2-CG1 3.71Å; F34-V84 HydrophobicContact CZ-CG2 4.33Å; H77-V84 HydrophobicContact CB-CG2 3.57Å; H77-V84 PolarHBondContact O-N 3.17Å; V79-V84 HydrophobicContact CB-CG1 3.95Å; V79-V84 HydrophobicContact CG2-CG1 3.97Å; V79-V84 HydrophobicContact CG2-CG2 3.93Å; R82-V84 PolarHBondContact O-N 3.34Å; V84-P86 VanDerWaalsContact O-CD 3.27Å; V84-P86 WeakPolarHBondContact O-CD 3.49Å
85E97Very high95Very high83 Ų8361.7 Ų61.739%0.38831%0.313SS..EExtended strand (participates in β ladder)trans-113.189.4-178.4-164.9-170.9-174.300109.5G19 K87 T103G19-E85 PolarHBondContact N-O 3.04Å; G19-E85 PolarHBondContact O-N 3.28Å; E85-K87 WeakPolarHBondContact OE1-CE 3.5Å; E85-K87 IonicContact OE1-NZ 2.69Å; E85-K87 PolarHBondContact OE1-NZ 2.79Å; E85-K87 VanDerWaalsContact OE2-CE 3.27Å; E85-K87 WeakPolarHBondContact OE2-CE 3.3Å; E85-K87 IonicContact OE2-NZ 2.64Å; E85-K87 PolarHBondContact OE2-NZ 2.78Å; E85-T103 PolarHBondContact OE1-OG1 2.77Å
86P98Very high94.5Very high2 Ų266.5 Ų66.51%0.01334%0.338CS..EExtended strand (participates in β ladder)trans-73.8139.3173.630.1-31.5000110.6F17 I18 M72 R75 V84F17-P86 CarbonylContact O-C 3.46Å; F17-P86 WeakPolarHBondContact O-CA 3.3Å; I18-P86 HydrophobicContact CD1-CB 3.69Å; M72-P86 HydrophobicContact SD-CB 3.92Å; M72-P86 HydrophobicContact SD-CG 4.23Å; R75-P86 HydrophobicContact CG-CG 3.59Å; V84-P86 VanDerWaalsContact O-CD 3.27Å; V84-P86 WeakPolarHBondContact O-CD 3.49Å
87K97.4Very high93.9Very high23 Ų2365.4 Ų65.410%0.132%0.319CS..EExtended strand (participates in β ladder)trans-141.4154175.8-59.4179.6-168.1171.50109.4L16 F17 E85 A89 T103L16-K87 CarbonylContact C-O 3.57Å; L16-K87 VanDerWaalsContact CA-O 3.31Å; L16-K87 WeakPolarHBondContact CA-O 3.5Å; L16-K87 WeakPolarHBondContact CD2-O 3.43Å; F17-K87 HydrophobicContact CD1-CB 4.39Å; F17-K87 HydrophobicContact CD1-CD 4.46Å; F17-K87 PolarHBondContact N-O 2.78Å; F17-K87 PolarHBondContact O-N 2.87Å; E85-K87 WeakPolarHBondContact OE1-CE 3.5Å; E85-K87 IonicContact OE1-NZ 2.69Å; E85-K87 PolarHBondContact OE1-NZ 2.79Å; E85-K87 VanDerWaalsContact OE2-CE 3.27Å; E85-K87 WeakPolarHBondContact OE2-CE 3.3Å; E85-K87 IonicContact OE2-NZ 2.64Å; E85-K87 PolarHBondContact OE2-NZ 2.78Å; K87-A89 PolarHBondContact O-N 2.71Å; K87-T103 WeakPolarHBondContact CE-OG1 3.27Å; K87-T103 PolarHBondContact NZ-OG1 3.25Å
88R96.1Very high93.4Very high10 Ų1069.1 Ų69.14%0.03834%0.344CS..EExtended strand (participates in β ladder)trans-55.3134.1167.1-55.7-73.7168.2164.8-4.8108.8D69 V90 D157 D160 K161 I164D69-R88 IonicContact OD1-CZ 3.87Å; D69-R88 IonicContact OD1-NH1 3.68Å; D69-R88 IonicContact OD1-NH2 2.77Å; D69-R88 PolarHBondContact OD1-NH2 3.06Å; R88-V90 PolarHBondContact O-N 3.31Å; R88-D157 IonicContact CZ-OD1 2.78Å; R88-D157 IonicContact CZ-OD2 3.03Å; R88-D157 IonicContact NE-OD1 3.72Å; R88-D157 PolarHBondContact NE-OD1 2.94Å; R88-D157 IonicContact NH2-OD1 3.52Å; R88-D157 PolarHBondContact NH2-OD1 2.82Å; R88-D157 IonicContact NH2-OD2 3.46Å; R88-D157 PolarHBondContact NH2-OD2 3.42Å; R88-D160 HydrophobicContact CB-CB 3.95Å; R88-D160 HydrophobicContact CG-CB 3.74Å; R88-K161 HydrophobicContact CG-CG 4.45Å; R88-I164 HydrophobicContact CB-CD1 4.25Å; R88-I164 HydrophobicContact CG-CD1 4.46Å
89A95.5Very high92.9Very high3 Ų363.9 Ų63.93%0.02533%0.327CS..PPolyproline II helixtrans-62.3141.3175.100000109Q12 K15 F59 K87Q12-A89 VanDerWaalsContact NE2-CB 3.29Å; Q12-A89 PolarHBondContact NE2-O 2.91Å; K15-A89 HydrophobicContact CB-CB 3.85Å; K15-A89 HydrophobicContact CD-CB 4.22Å; K15-A89 HydrophobicContact CG-CB 3.79Å; K15-A89 VanDerWaalsContact O-CB 3.25Å; K15-A89 WeakPolarHBondContact O-CB 2.92Å; K15-A89 PolarHBondContact O-N 3.47Å; F59-A89 HydrophobicContact CD1-CB 4.46Å; F59-A89 HydrophobicContact CE1-CB 4.45Å; K87-A89 PolarHBondContact O-N 2.71Å
90V92.6Very high92.5Very high41 Ų4164.4 Ų64.425%0.24833%0.332CS..PPolyproline II helixtrans-94.1139.6171.4-176.70000107.9Q12 R88 D94 A100Q12-V90 PolarHBondContact NE2-O 3.13Å; R88-V90 PolarHBondContact O-N 3.31Å; V90-D94 HydrophobicContact CG1-CB 3.75Å; V90-A100 HydrophobicContact CG1-CB 4.18Å
91S89.2Confident92.3Very high16 Ų1666 Ų6611%0.11234%0.337CS..PPolyproline II helixtrans-62156.6175.272.70000110.5E93 D94 S95S91-E93 PolarHBondContact O-N 2.82Å; S91-D94 PolarHBondContact O-N 3.42Å; S91-D94 WeakPolarHBondContact OG-CB 3.47Å; S91-D94 PolarHBondContact OG-N 3.24Å; S91-D94 PolarHBondContact OG-OD2 3.18Å; S91-S95 WeakPolarHBondContact O-CB 3.13Å; S91-S95 PolarHBondContact O-N 3.21Å; S91-S95 PolarHBondContact O-OG 3.21Å
92R88.4Confident92.1Very high214 Ų21466 Ų6681%0.80832%0.322SS*.THydrogen-bonded Turntrans-62.4-33.8179.2-69.8179.4178.8-95.41.6111.6
93E87.7Confident91.9Very high143 Ų14362 Ų6267%0.66831%0.314SS*.THydrogen-bonded Turntrans-69.4-45.4178.9-61.769.4-151.200110.8S91S91-E93 PolarHBondContact O-N 2.82Å
94D87.1Confident91.9Very high36 Ų3658.6 Ų58.619%0.19329%0.293CS..G310 helixtrans-77.7-25.1-179.7-64.1-45.4000112.6V90 S91 Q96 R97 A100V90-D94 HydrophobicContact CG1-CB 3.75Å; S91-D94 PolarHBondContact O-N 3.42Å; S91-D94 WeakPolarHBondContact OG-CB 3.47Å; S91-D94 PolarHBondContact OG-N 3.24Å; S91-D94 PolarHBondContact OG-OD2 3.18Å; D94-Q96 PolarHBondContact O-N 2.83Å; D94-Q96 VanDerWaalsContact O-N 3.09Å; D94-R97 VanDerWaalsContact O-CB 3.3Å; D94-R97 WeakPolarHBondContact O-CB 3.43Å; D94-R97 PolarHBondContact O-N 3.03Å; D94-R97 IonicContact OD1-CZ 2.64Å; D94-R97 IonicContact OD1-NE 3.24Å; D94-R97 PolarHBondContact OD1-NE 3.41Å; D94-R97 IonicContact OD1-NH1 3.17Å; D94-R97 PolarHBondContact OD1-NH1 2.84Å; D94-R97 IonicContact OD1-NH2 2.97Å; D94-R97 PolarHBondContact OD1-NH2 3.12Å; D94-A100 WeakPolarHBondContact O-CB 3.46Å
95S89.1Confident91.8Very high33 Ų3363.4 Ų63.423%0.23131%0.313CS..G310 helixtrans-55.8-24.1173.2-87.20000113.7S91 R97 H101S91-S95 WeakPolarHBondContact O-CB 3.13Å; S91-S95 PolarHBondContact O-N 3.21Å; S91-S95 PolarHBondContact O-OG 3.21Å; S95-R97 VanDerWaalsContact C-N 3.3Å; S95-H101 WeakPolarHBondContact CB-NE2 3.49Å; S95-H101 PolarHBondContact OG-CE1 3.19Å; S95-H101 PolarHBondContact OG-NE2 3.02Å
96Q87.3Confident91.9Very high162 Ų16262.5 Ų62.576%0.75731%0.308SS*.G310 helixtrans-79.1-11.7176.5-58.1-55.4-41.200113.3D94D94-Q96 PolarHBondContact O-N 2.83Å; D94-Q96 VanDerWaalsContact O-N 3.09Å
97R85.4Confident91.9Very high86 Ų8662.4 Ų62.433%0.32531%0.307SS..SBendtrans-74.4139.6-179.7-64.2-176.3-176.6165.212.1110.5D94 S95 G99 A100D94-R97 VanDerWaalsContact O-CB 3.3Å; D94-R97 WeakPolarHBondContact O-CB 3.43Å; D94-R97 PolarHBondContact O-N 3.03Å; D94-R97 IonicContact OD1-CZ 2.64Å; D94-R97 IonicContact OD1-NE 3.24Å; D94-R97 PolarHBondContact OD1-NE 3.41Å; D94-R97 IonicContact OD1-NH1 3.17Å; D94-R97 PolarHBondContact OD1-NH1 2.84Å; D94-R97 IonicContact OD1-NH2 2.97Å; D94-R97 PolarHBondContact OD1-NH2 3.12Å; S95-R97 VanDerWaalsContact C-N 3.3Å; R97-G99 PolarHBondContact O-N 3.25Å; R97-G99 VanDerWaalsContact O-N 3.13Å; R97-A100 HydrophobicContact CB-CB 4.35Å; R97-A100 WeakPolarHBondContact O-CB 3.36Å; R97-A100 PolarHBondContact O-N 2.89Å; R97-A100 VanDerWaalsContact O-N 3.08Å
98P86.9Confident91.9Very high83 Ų8364.3 Ų64.354%0.53932%0.316SS..THydrogen-bonded Turntrans-52.8123.4173-26.434.6000111.1A100 L181 A189P98-A100 PolarHBondContact O-N 3.05Å; P98-L181 HydrophobicContact CB-CD1 4.37Å; P98-A189 HydrophobicContact CB-CB 3.64Å; P98-A189 HydrophobicContact CG-CB 3.9Å
99G88.3Confident92Very high21 Ų2163.9 Ų63.922%0.21631%0.314CS..THydrogen-bonded Turntrans76.510.7177.300000116.6R97 H101 L102R97-G99 PolarHBondContact O-N 3.25Å; R97-G99 VanDerWaalsContact O-N 3.13Å; G99-H101 PolarHBondContact O-N 3.34Å; G99-H101 VanDerWaalsContact O-N 3.17Å; G99-L102 VanDerWaalsContact CA-CD1 3.45Å; G99-L102 WeakPolarHBondContact O-CB 3.31Å; G99-L102 PolarHBondContact O-N 2.95Å
100A90.4Very high92Very high14 Ų1464.1 Ų64.112%0.11632%0.317CS..THydrogen-bonded Turntrans-54.4-37.4179.700000113.4V90 D94 R97 P98 K179V90-A100 HydrophobicContact CG1-CB 4.18Å; D94-A100 WeakPolarHBondContact O-CB 3.46Å; R97-A100 HydrophobicContact CB-CB 4.35Å; R97-A100 WeakPolarHBondContact O-CB 3.36Å; R97-A100 PolarHBondContact O-N 2.89Å; R97-A100 VanDerWaalsContact O-N 3.08Å; P98-A100 PolarHBondContact O-N 3.05Å; A100-K179 PolarHBondContact O-NZ 3.35Å
101H91.4Very high92.1Very high110 Ų11064 Ų6451%0.50932%0.324SS..THydrogen-bonded Turntrans-91.10.9-179-64.2-70.5000114.7S95 G99S95-H101 WeakPolarHBondContact CB-NE2 3.49Å; S95-H101 PolarHBondContact OG-CE1 3.19Å; S95-H101 PolarHBondContact OG-NE2 3.02Å; G99-H101 PolarHBondContact O-N 3.34Å; G99-H101 VanDerWaalsContact O-N 3.17Å
102L92.9Very high92.4Very high58 Ų5863.5 Ų63.530%0.30432%0.32SS..  trans-69.9136.8178.5-65.2171.8000110.4G99 V104 K179 L181 E185G99-L102 VanDerWaalsContact CA-CD1 3.45Å; G99-L102 WeakPolarHBondContact O-CB 3.31Å; G99-L102 PolarHBondContact O-N 2.95Å; L102-V104 HydrophobicContact CB-CG1 3.95Å; L102-V104 PolarHBondContact O-N 2.93Å; L102-K179 PolarHBondContact O-NZ 3.43Å; L102-L181 HydrophobicContact CD1-CD2 3.69Å; L102-E185 VanDerWaalsContact CD1-OE1 3.27Å; L102-E185 WeakPolarHBondContact CD1-OE1 2.93Å
103T94.1Very high92.7Very high59 Ų5958.6 Ų58.636%0.36230%0.304SS..  trans-81.7102.7167.6-48.10000107.8E85 K87 H156E85-T103 PolarHBondContact OE1-OG1 2.77Å; K87-T103 WeakPolarHBondContact CE-OG1 3.27Å; K87-T103 PolarHBondContact NZ-OG1 3.25Å; T103-H156 HydrophobicContact CG2-CB 3.67Å; T103-H156 VanDerWaalsContact CG2-CG 3.48Å
104V96.1Very high92.9Very high26 Ų2657.6 Ų57.616%0.15830%0.3CS..  trans-127.7148.6177.1-58.10000110L102 K106 H156 V159 K179L102-V104 HydrophobicContact CB-CG1 3.95Å; L102-V104 PolarHBondContact O-N 2.93Å; V104-K106 WeakPolarHBondContact CG2-O 3.42Å; V104-H156 WeakPolarHBondContact O-CB 3.34Å; V104-V159 HydrophobicContact CG2-CG1 4.03Å; V104-V159 WeakPolarHBondContact O-CB 3.39Å; V104-V159 WeakPolarHBondContact O-CG2 3.22Å; V104-K179 HydrophobicContact CG2-CB 3.73Å; V104-K179 HydrophobicContact CG2-CD 4Å; V104-K179 HydrophobicContact CG2-CG 3.8Å
105K97.5Very high93.2Very high108 Ų10859.7 Ų59.747%0.4731%0.311SS..SBendtrans-99.66.5175.2-59.8-174.6175.8-166.20112.8T152 F153 D154 H156 V159K105-T152 CarbonylContact O-C 3.58Å; K105-T152 WeakPolarHBondContact O-CA 3.31Å; K105-F153 WeakPolarHBondContact CB-O 3.16Å; K105-F153 PolarHBondContact O-N 2.95Å; K105-D154 WeakPolarHBondContact CD-O 3.47Å; K105-D154 VanDerWaalsContact CE-O 3.25Å; K105-D154 WeakPolarHBondContact CE-O 3.45Å; K105-D154 PolarHBondContact NZ-O 3.48Å; K105-H156 HydrophobicContact CG-CB 4.42Å; K105-V159 VanDerWaalsContact C-CG2 3.46Å
106K98Very high93.5Very high64 Ų6458.1 Ų58.128%0.27830%0.3SS..EExtended strand (participates in β ladder)trans-124.4131.7-173.5-168.9170.8-171162.80110.5V104 E135 F150 V151 A180V104-K106 WeakPolarHBondContact CG2-O 3.42Å; K106-E135 IonicContact NZ-OE2 2.79Å; K106-E135 PolarHBondContact NZ-OE2 2.69Å; K106-F150 HydrophobicContact CD-CB 4.33Å; K106-F150 HydrophobicContact CD-CD1 4.36Å; K106-F150 VanDerWaalsContact CE-CG 3.49Å; K106-F150 HydrophobicContact CG-CB 4.26Å; K106-F150 HydrophobicContact CG-CD1 4.29Å; K106-V151 CarbonylContact C-O 3.47Å; K106-V151 WeakPolarHBondContact CA-O 3.46Å; K106-A180 HydrophobicContact CB-CB 3.89Å; K106-A180 HydrophobicContact CD-CB 4.27Å; K106-A180 HydrophobicContact CG-CB 3.72Å; K106-A180 VanDerWaalsContact O-CB 3.22Å; K106-A180 WeakPolarHBondContact O-CB 3.49Å; K106-A180 PolarHBondContact O-N 3.36Å
107I98.1Very high93.9Very high0 Ų055.2 Ų55.20%029%0.286CS..EExtended strand (participates in β ladder)trans-105.5148170.956.4172000111V109 F125 F150 V151 F153 V159 I162 V163 V177 R178I107-V109 HydrophobicContact CD1-CG2 3.81Å; I107-V109 HydrophobicContact CG1-CG2 4.1Å; I107-F125 HydrophobicContact CD1-CD1 3.97Å; I107-F125 HydrophobicContact CD1-CE1 3.73Å; I107-F125 HydrophobicContact CD1-CE2 4.31Å; I107-F125 HydrophobicContact CD1-CG 4.37Å; I107-F125 HydrophobicContact CD1-CZ 3.92Å; I107-F150 VanDerWaalsContact O-CA 3.26Å; I107-F150 WeakPolarHBondContact O-CA 2.94Å; I107-F150 WeakPolarHBondContact O-CD1 3.5Å; I107-V151 HydrophobicContact CD1-CB 3.95Å; I107-V151 HydrophobicContact CD1-CG2 4.36Å; I107-V151 HydrophobicContact CG1-CB 3.68Å; I107-V151 HydrophobicContact CG1-CG2 4.39Å; I107-V151 WeakPolarHBondContact CG1-O 3.07Å; I107-V151 PolarHBondContact N-O 2.92Å; I107-V151 PolarHBondContact O-N 3Å; I107-V151 VanDerWaalsContact O-N 3.13Å; I107-F153 HydrophobicContact CD1-CE2 3.84Å; I107-F153 HydrophobicContact CD1-CZ 4.42Å; I107-F153 HydrophobicContact CG1-CE2 4Å; I107-V159 HydrophobicContact CG2-CB 4.12Å; I107-V159 HydrophobicContact CG2-CG1 3.57Å; I107-V159 HydrophobicContact CG2-CG2 3.97Å; I107-I162 HydrophobicContact CD1-CD1 4.1Å; I107-I162 HydrophobicContact CD1-CG2 4.3Å; I107-V163 HydrophobicContact CG2-CG1 4.22Å; I107-V177 HydrophobicContact CB-CG1 3.9Å; I107-V177 HydrophobicContact CD1-CG1 3.86Å; I107-V177 HydrophobicContact CG1-CG1 4.43Å; I107-V177 HydrophobicContact CG2-CG1 4.07Å; I107-R178 CarbonylContact C-O 3.57Å; I107-R178 WeakPolarHBondContact CA-O 3.47Å
108F97.5Very high94.5Very high64 Ų6455.3 Ų55.328%0.28129%0.291SS..EExtended strand (participates in β ladder)trans-93.5131.9162.5168.8-90.7000108.4F148 F150 V177 R178F108-F148 HydrophobicContact CD2-CB 4.49Å; F108-F148 AromaticContact CD2-CD2 3.98Å; F108-F148 HydrophobicContact CD2-CD2 3.98Å; F108-F148 HydrophobicContact CE2-CB 3.61Å; F108-F148 AromaticContact CE2-CD2 3.42Å; F108-F148 HydrophobicContact CE2-CD2 3.42Å; F108-F148 VanDerWaalsContact CE2-CD2 3.42Å; F108-F148 HydrophobicContact CE2-CE2 4.16Å; F108-F148 AromaticContact CE2-CG 3.67Å; F108-F148 HydrophobicContact CE2-CG 3.67Å; F108-F148 HydrophobicContact CZ-CB 3.78Å; F108-F148 HydrophobicContact CZ-CD2 4.4Å; F108-F148 HydrophobicContact CZ-CG 4.22Å; F108-F150 HydrophobicContact CB-CD1 4.22Å; F108-F150 HydrophobicContact CB-CE1 3.96Å; F108-F150 AromaticContact CD2-CE1 3.86Å; F108-F150 HydrophobicContact CD2-CE1 3.86Å; F108-F150 HydrophobicContact CD2-CZ 4.02Å; F108-F150 HydrophobicContact CG-CE1 4.42Å; F108-V177 WeakPolarHBondContact O-CA 3.17Å; F108-R178 PolarHBondContact N-O 2.93Å; F108-R178 PolarHBondContact O-N 3.35Å
109V97.8Very high95Very high0 Ų055.4 Ų55.40%028%0.284CS..EExtended strand (participates in β ladder)trans-120.5104.4177.2-172.80000107.9I107 I112 L121 F125 F148 A149 V151 C175 V177I107-V109 HydrophobicContact CD1-CG2 3.81Å; I107-V109 HydrophobicContact CG1-CG2 4.1Å; V109-I112 HydrophobicContact CG1-CG2 3.85Å; V109-L121 HydrophobicContact CG1-CD2 4.15Å; V109-F125 HydrophobicContact CG1-CE2 4.23Å; V109-F125 HydrophobicContact CG1-CZ 4.26Å; V109-F125 HydrophobicContact CG2-CE2 3.75Å; V109-F125 HydrophobicContact CG2-CZ 3.82Å; V109-F148 CarbonylContact O-C 3.55Å; V109-F148 WeakPolarHBondContact O-CA 3.44Å; V109-F148 WeakPolarHBondContact O-CB 3.24Å; V109-A149 PolarHBondContact N-O 3.44Å; V109-A149 PolarHBondContact O-N 3.18Å; V109-V151 HydrophobicContact CG2-CG2 4.21Å; V109-C175 HydrophobicContact CG1-CB 3.98Å; V109-V177 HydrophobicContact CG1-CG2 4.25Å; V109-V177 HydrophobicContact CG2-CG2 4.3Å
110G97Very high95.4Very high9 Ų956.5 Ų56.59%0.09328%0.283CS..EExtended strand (participates in β ladder)trans-105.2155.9-178.400000113C175 E176G110-C175 CarbonylContact O-C 3.55Å; G110-C175 WeakPolarHBondContact O-CA 3.37Å; G110-C175 WeakPolarHBondContact O-CB 3.33Å; G110-E176 PolarHBondContact N-O 2.81Å; G110-E176 PolarHBondContact O-N 2.88Å
111G94.8Very high95.8Very high37 Ų3755.8 Ų55.838%0.38128%0.278SS..SBendtrans83.512.7177.600000114.2G147G111-G147 PolarHBondContact N-O 2.93Å
112I95.2Very high96.1Very high7 Ų754.2 Ų54.24%0.03627%0.267CS..  trans-72146.6170.661.9173.2000110V109 T116 L121 I136 G147 A149 C175V109-I112 HydrophobicContact CG1-CG2 3.85Å; I112-T116 HydrophobicContact CB-CG2 3.99Å; I112-T116 HydrophobicContact CD1-CG2 4.29Å; I112-T116 HydrophobicContact CG2-CG2 4.17Å; I112-L121 HydrophobicContact CG2-CD2 4.48Å; I112-I136 HydrophobicContact CD1-CG2 4.41Å; I112-G147 VanDerWaalsContact CG1-C 3.49Å; I112-G147 PolarHBondContact N-O 2.92Å; I112-G147 WeakPolarHBondContact O-CA 3.31Å; I112-A149 HydrophobicContact CD1-CB 3.66Å; I112-C175 HydrophobicContact CG2-CB 4.01Å
113K93.5Very high96.3Very high110 Ų11056.2 Ų56.248%0.47828%0.278SS..  trans-89.2168.3-179-65.4-60.8-173.9176.60111.3D115 T116 H173K113-D115 WeakPolarHBondContact CB-OD1 3.26Å; K113-D115 PolarHBondContact O-N 3.34Å; K113-T116 PolarHBondContact N-OG1 2.75Å; K113-T116 VanDerWaalsContact O-CB 3.29Å; K113-T116 WeakPolarHBondContact O-CB 3.3Å; K113-T116 PolarHBondContact O-N 2.77Å; K113-T116 PolarHBondContact O-OG1 2.83Å; K113-H173 HydrophobicContact CG-CB 4.28Å; K113-H173 WeakPolarHBondContact CG-ND1 3.33Å
114E92.1Very high96.5Very high123 Ų12355.8 Ų55.858%0.57527%0.27SS*.THydrogen-bonded Turntrans-63.3-22.2-178.9-65.5-171.3163.900113.1T116 K145E114-T116 VanDerWaalsContact C-N 3.27Å; E114-T116 PolarHBondContact O-N 2.99Å; E114-K145 VanDerWaalsContact O-CD 3.28Å; E114-K145 WeakPolarHBondContact O-CD 3.27Å; E114-K145 WeakPolarHBondContact O-CE 3.21Å; E114-K145 PolarHBondContact O-NZ 2.56Å
115D94.3Very high96.6Very high80 Ų8054.5 Ų54.543%0.42826%0.263SS..THydrogen-bonded Turntrans-76.6-8.8173.867.1-6.8000113.6K113 E117 H120 N171 H173K113-D115 WeakPolarHBondContact CB-OD1 3.26Å; K113-D115 PolarHBondContact O-N 3.34Å; D115-E117 PolarHBondContact O-N 3.03Å; D115-H120 PolarHBondContact O-CE1 2.91Å; D115-N171 PolarHBondContact OD1-ND2 2.9Å; D115-N171 VanDerWaalsContact OD1-ND2 3.16Å; D115-N171 PolarHBondContact OD2-ND2 3.35Å; D115-H173 IonicContact OD1-CD2 3.6Å; D115-H173 IonicContact OD1-NE2 3.25Å; D115-H173 PolarHBondContact OD1-NE2 3.35Å; D115-H173 IonicContact OD2-CD2 3.94Å; D115-H173 IonicContact OD2-CE1 3.83Å; D115-H173 IonicContact OD2-NE2 2.93Å; D115-H173 PolarHBondContact OD2-NE2 2.94Å
116T95.5Very high96.6Very high0 Ų054.9 Ų54.90%027%0.266CS..  trans-80.7123.1-175.6-56.70000110.1I112 K113 E114 H120 L121 I136 K145I112-T116 HydrophobicContact CB-CG2 3.99Å; I112-T116 HydrophobicContact CD1-CG2 4.29Å; I112-T116 HydrophobicContact CG2-CG2 4.17Å; K113-T116 PolarHBondContact N-OG1 2.75Å; K113-T116 VanDerWaalsContact O-CB 3.29Å; K113-T116 WeakPolarHBondContact O-CB 3.3Å; K113-T116 PolarHBondContact O-N 2.77Å; K113-T116 PolarHBondContact O-OG1 2.83Å; E114-T116 VanDerWaalsContact C-N 3.27Å; E114-T116 PolarHBondContact O-N 2.99Å; T116-H120 HydrophobicContact CG2-CB 4.27Å; T116-L121 HydrophobicContact CG2-CD2 4.46Å; T116-L121 HydrophobicContact CG2-CG 4.28Å; T116-I136 WeakPolarHBondContact O-CD1 3.26Å; T116-K145 WeakPolarHBondContact O-CE 3.4Å; T116-K145 PolarHBondContact O-NZ 3.11Å
117E96.1Very high96.5Very high100 Ų10058 Ų5847%0.46728%0.281SS..  trans-112.8172.5-178.7-65.5-169.3175.100111.9D115 H119 H120 L121D115-E117 PolarHBondContact O-N 3.03Å; E117-H119 VanDerWaalsContact C-N 3.29Å; E117-H119 WeakPolarHBondContact CB-ND1 3.15Å; E117-H119 PolarHBondContact O-N 2.86Å; E117-H119 IonicContact OE2-CE1 2.87Å; E117-H119 PolarHBondContact OE2-CE1 3.15Å; E117-H119 IonicContact OE2-ND1 3.08Å; E117-H119 PolarHBondContact OE2-ND1 2.97Å; E117-H120 PolarHBondContact N-ND1 2.8Å; E117-H120 PolarHBondContact O-N 2.9Å; E117-L121 PolarHBondContact O-N 2.64Å
118E96.9Very high96.4Very high89 Ų8960.4 Ų60.442%0.41629%0.291SS..Hα-helixtrans-57.2-43.2-178.5177.4175163.400111.8H120 L121 R122 I134E118-H120 VanDerWaalsContact C-N 3.35Å; E118-H120 PolarHBondContact O-N 3.15Å; E118-L121 PolarHBondContact O-N 2.88Å; E118-L121 VanDerWaalsContact O-N 3.14Å; E118-R122 WeakPolarHBondContact O-CB 3.35Å; E118-R122 PolarHBondContact O-N 3.44Å; E118-R122 IonicContact OE1-CZ 3.11Å; E118-R122 IonicContact OE1-NE 3.25Å; E118-R122 IonicContact OE1-NH2 3.3Å; E118-R122 PolarHBondContact OE1-NH2 3.17Å; E118-I134 HydrophobicContact CB-CG2 4.45Å; E118-I134 HydrophobicContact CG-CB 3.82Å; E118-I134 HydrophobicContact CG-CD1 3.77Å; E118-I134 HydrophobicContact CG-CG1 4.34Å; E118-I134 HydrophobicContact CG-CG2 3.9Å
119H97.6Very high96.4Very high84 Ų8458.4 Ų58.439%0.38929%0.288SS..Hα-helixtrans-63.3-39.5-178.269.9-89.4000111.8E117 L121 R122 D123E117-H119 VanDerWaalsContact C-N 3.29Å; E117-H119 WeakPolarHBondContact CB-ND1 3.15Å; E117-H119 PolarHBondContact O-N 2.86Å; E117-H119 IonicContact OE2-CE1 2.87Å; E117-H119 PolarHBondContact OE2-CE1 3.15Å; E117-H119 IonicContact OE2-ND1 3.08Å; E117-H119 PolarHBondContact OE2-ND1 2.97Å; H119-L121 VanDerWaalsContact C-N 3.28Å; H119-L121 PolarHBondContact O-N 2.87Å; H119-R122 PolarHBondContact O-N 3.45Å; H119-R122 VanDerWaalsContact O-N 3.12Å; H119-D123 WeakPolarHBondContact O-CB 3.25Å; H119-D123 PolarHBondContact O-N 3.44Å
120H97.6Very high96.4Very high44 Ų4464.6 Ų64.620%0.20432%0.315CS..Hα-helixtrans-58.1-39.8174.1-59.1147.6000112.8D115 T116 E117 E118 Y124 V170 N171D115-H120 PolarHBondContact O-CE1 2.91Å; T116-H120 HydrophobicContact CG2-CB 4.27Å; E117-H120 PolarHBondContact N-ND1 2.8Å; E117-H120 PolarHBondContact O-N 2.9Å; E118-H120 VanDerWaalsContact C-N 3.35Å; E118-H120 PolarHBondContact O-N 3.15Å; H120-Y124 PolarHBondContact O-N 3.33Å; H120-V170 HydrophobicContact CB-CG1 4.31Å; H120-V170 WeakPolarHBondContact O-CG1 3.46Å; H120-N171 HydrophobicContact CB-CB 4.08Å; H120-N171 PolarHBondContact ND1-ND2 3.47Å
121L97.9Very high96.5Very high0 Ų064.9 Ų64.90%032%0.315CS..Hα-helixtrans-72-42.4176.4-66.9168.1000110.6V109 I112 T116 E117 E118 H119 Y124 F125 I134 I136 A149 V170V109-L121 HydrophobicContact CG1-CD2 4.15Å; I112-L121 HydrophobicContact CG2-CD2 4.48Å; T116-L121 HydrophobicContact CG2-CD2 4.46Å; T116-L121 HydrophobicContact CG2-CG 4.28Å; E117-L121 PolarHBondContact O-N 2.64Å; E118-L121 PolarHBondContact O-N 2.88Å; E118-L121 VanDerWaalsContact O-N 3.14Å; H119-L121 VanDerWaalsContact C-N 3.28Å; H119-L121 PolarHBondContact O-N 2.87Å; L121-Y124 PolarHBondContact O-N 2.8Å; L121-F125 HydrophobicContact CB-CD2 4.27Å; L121-F125 HydrophobicContact CD2-CD2 4.23Å; L121-F125 HydrophobicContact CD2-CE2 3.76Å; L121-F125 VanDerWaalsContact O-CB 3.27Å; L121-F125 WeakPolarHBondContact O-CB 3.34Å; L121-F125 WeakPolarHBondContact O-CD2 3.45Å; L121-F125 PolarHBondContact O-N 2.86Å; L121-I134 HydrophobicContact CB-CD1 4.28Å; L121-I134 HydrophobicContact CB-CG2 4.21Å; L121-I134 HydrophobicContact CD1-CG2 3.72Å; L121-I136 HydrophobicContact CD1-CD1 3.95Å; L121-I136 HydrophobicContact CD1-CG1 3.78Å; L121-A149 HydrophobicContact CD1-CB 3.55Å; L121-V170 HydrophobicContact CD2-CG1 4.12Å
122R98.1Very high96.6Very high77 Ų7767.8 Ų67.829%0.29132%0.318SS..Hα-helixtrans-60.7-55.3179.9-172.3172.1-67.5-80.90.8111.3E118 H119 Y124 F125 E126 I131 I134E118-R122 WeakPolarHBondContact O-CB 3.35Å; E118-R122 PolarHBondContact O-N 3.44Å; E118-R122 IonicContact OE1-CZ 3.11Å; E118-R122 IonicContact OE1-NE 3.25Å; E118-R122 IonicContact OE1-NH2 3.3Å; E118-R122 PolarHBondContact OE1-NH2 3.17Å; H119-R122 PolarHBondContact O-N 3.45Å; H119-R122 VanDerWaalsContact O-N 3.12Å; R122-Y124 PolarHBondContact O-N 2.99Å; R122-F125 PolarHBondContact O-N 2.95Å; R122-E126 VanDerWaalsContact O-CB 3.28Å; R122-E126 WeakPolarHBondContact O-CB 3.08Å; R122-E126 WeakPolarHBondContact O-CG 3.09Å; R122-E126 PolarHBondContact O-N 2.79Å; R122-I131 HydrophobicContact CG-CD1 4.32Å; R122-I134 HydrophobicContact CB-CD1 3.62Å; R122-I134 HydrophobicContact CG-CD1 4.29Å
123D97.5Very high96.7Very high100 Ų10070.8 Ų70.854%0.53534%0.336SS..Hα-helixtrans-57.7-36.8-177.6-61.6-8.5000111.5H119H119-D123 WeakPolarHBondContact O-CB 3.25Å; H119-D123 PolarHBondContact O-N 3.44Å
124Y97.7Very high97Very high49 Ų4966.3 Ų66.319%0.19232%0.318CS..Hα-helixtrans-77.9-42.9177.6-176.2-98.4000113.4H120 L121 R122 Q127 Y128 H168 T169 V170H120-Y124 PolarHBondContact O-N 3.33Å; L121-Y124 PolarHBondContact O-N 2.8Å; R122-Y124 PolarHBondContact O-N 2.99Å; Y124-Q127 VanDerWaalsContact O-CG 3.27Å; Y124-Q127 WeakPolarHBondContact O-CG 3.46Å; Y124-Q127 PolarHBondContact O-NE2 2.91Å; Y124-Y128 HydrophobicContact CE1-CE2 4.05Å; Y124-H168 HydrophobicContact CE1-CB 3.72Å; Y124-H168 AromaticContact CE1-CG 3.89Å; Y124-H168 AromaticContact CE1-ND1 3.54Å; Y124-H168 AromaticContact CZ-ND1 3.63Å; Y124-H168 PolarHBondContact OH-ND1 3.37Å; Y124-T169 WeakPolarHBondContact CE2-O 3.29Å; Y124-V170 HydrophobicContact CD1-CG2 3.51Å; Y124-V170 HydrophobicContact CD2-CG2 4.31Å; Y124-V170 HydrophobicContact CE1-CG2 3.95Å; Y124-V170 HydrophobicContact CG-CG2 3.71Å
125F98.1Very high97.2Very high0 Ų064.1 Ų64.10%031%0.307CS..Hα-helixtrans-88.3-19.6-171.1-76-59.1000113.7I107 V109 L121 R122 Q127 Y128 I131 V151 F153 I162 V170 V177I107-F125 HydrophobicContact CD1-CD1 3.97Å; I107-F125 HydrophobicContact CD1-CE1 3.73Å; I107-F125 HydrophobicContact CD1-CE2 4.31Å; I107-F125 HydrophobicContact CD1-CG 4.37Å; I107-F125 HydrophobicContact CD1-CZ 3.92Å; V109-F125 HydrophobicContact CG1-CE2 4.23Å; V109-F125 HydrophobicContact CG1-CZ 4.26Å; V109-F125 HydrophobicContact CG2-CE2 3.75Å; V109-F125 HydrophobicContact CG2-CZ 3.82Å; L121-F125 HydrophobicContact CB-CD2 4.27Å; L121-F125 HydrophobicContact CD2-CD2 4.23Å; L121-F125 HydrophobicContact CD2-CE2 3.76Å; L121-F125 VanDerWaalsContact O-CB 3.27Å; L121-F125 WeakPolarHBondContact O-CB 3.34Å; L121-F125 WeakPolarHBondContact O-CD2 3.45Å; L121-F125 PolarHBondContact O-N 2.86Å; R122-F125 PolarHBondContact O-N 2.95Å; F125-Q127 PolarHBondContact O-N 2.97Å; F125-Y128 HydrophobicContact CD1-CD2 4.25Å; F125-Y128 HydrophobicContact CD1-CE2 4.4Å; F125-Y128 PolarHBondContact O-N 2.85Å; F125-Y128 VanDerWaalsContact O-N 3.12Å; F125-I131 HydrophobicContact CB-CD1 3.75Å; F125-V151 HydrophobicContact CB-CG1 4.46Å; F125-V151 HydrophobicContact CD2-CG2 3.91Å; F125-V151 HydrophobicContact CE2-CG2 4.26Å; F125-F153 HydrophobicContact CB-CE1 4.43Å; F125-F153 HydrophobicContact CB-CZ 3.91Å; F125-F153 HydrophobicContact CD1-CZ 4.45Å; F125-F153 HydrophobicContact CG-CZ 4.41Å; F125-I162 HydrophobicContact CD1-CD1 3.8Å; F125-I162 HydrophobicContact CD1-CG1 4.41Å; F125-I162 HydrophobicContact CE1-CD1 4.29Å; F125-I162 HydrophobicContact CE1-CG2 3.97Å; F125-V170 HydrophobicContact CE2-CG2 4.39Å; F125-V170 HydrophobicContact CZ-CG2 4.43Å; F125-V177 HydrophobicContact CE1-CG2 4.33Å; F125-V177 HydrophobicContact CZ-CG2 3.96Å
126E97.1Very high97.3Very high116 Ų11662 Ų6254%0.54230%0.296SS..G310 helixtrans-64.6-25.3-179.772.8174-151.900112.9R122 Y128 G129 I131R122-E126 VanDerWaalsContact O-CB 3.28Å; R122-E126 WeakPolarHBondContact O-CB 3.08Å; R122-E126 WeakPolarHBondContact O-CG 3.09Å; R122-E126 PolarHBondContact O-N 2.79Å; E126-Y128 PolarHBondContact O-N 3.4Å; E126-Y128 VanDerWaalsContact O-N 3.15Å; E126-G129 PolarHBondContact O-N 2.96Å; E126-G129 VanDerWaalsContact O-N 3.15Å; E126-I131 HydrophobicContact CB-CD1 4.23Å
127Q96.6Very high97.3Very high129 Ų12964.4 Ų64.460%0.60331%0.307SS*.G310 helixtrans-61.5-21.8175.775.9-172.5-36.700113.1Y124 F125Y124-Q127 VanDerWaalsContact O-CG 3.27Å; Y124-Q127 WeakPolarHBondContact O-CG 3.46Å; Y124-Q127 PolarHBondContact O-NE2 2.91Å; F125-Q127 PolarHBondContact O-N 2.97Å
128Y96.3Very high97.2Very high51 Ų5162.8 Ų62.820%0.231%0.305CS..G310 helixtrans-90.5-20.7179.8-65.2-84.4000113.1Y124 F125 E126 S158 K161 I162Y124-Y128 HydrophobicContact CE1-CE2 4.05Å; F125-Y128 HydrophobicContact CD1-CD2 4.25Å; F125-Y128 HydrophobicContact CD1-CE2 4.4Å; F125-Y128 PolarHBondContact O-N 2.85Å; F125-Y128 VanDerWaalsContact O-N 3.12Å; E126-Y128 PolarHBondContact O-N 3.4Å; E126-Y128 VanDerWaalsContact O-N 3.15Å; Y128-S158 PolarHBondContact O-OG 3.46Å; Y128-K161 HydrophobicContact CD1-CB 4.27Å; Y128-I162 HydrophobicContact CD1-CG1 3.6Å; Y128-I162 HydrophobicContact CD2-CD1 4.01Å; Y128-I162 HydrophobicContact CD2-CG1 3.68Å; Y128-I162 HydrophobicContact CE1-CG1 4.02Å; Y128-I162 HydrophobicContact CE2-CG1 4.08Å; Y128-I162 HydrophobicContact CG-CD1 3.89Å; Y128-I162 HydrophobicContact CG-CG1 3.42Å; Y128-I162 VanDerWaalsContact CG-CG1 3.42Å
129G96.4Very high96.9Very high22 Ų2262 Ų6223%0.22730%0.304CS..SBendtrans158.6175.9-17800000113E126 I131E126-G129 PolarHBondContact O-N 2.96Å; E126-G129 VanDerWaalsContact O-N 3.15Å; G129-I131 PolarHBondContact O-N 2.66Å
130K97.8Very high96.4Very high129 Ų12970.2 Ų70.256%0.56133%0.331SS*.  trans-71.4122.6-174.8-179.1-175.9179.7-123.60111.2E132 F153 D154K130-E132 IonicContact NZ-OE1 3.96Å; K130-E132 PolarHBondContact NZ-OE1 3.08Å; K130-F153 WeakPolarHBondContact O-CA 3.39Å; K130-D154 HydrophobicContact CB-CB 4.37Å; K130-D154 HydrophobicContact CD-CB 4.42Å; K130-D154 PolarHBondContact O-N 3.02Å
131I98.4Very high96.1Very high16 Ų1671.7 Ų71.78%0.08236%0.358CS..EExtended strand (participates in β ladder)trans-87126.7176.9-60.7172.6000109.8R122 F125 E126 G129 I134 V151 F153R122-I131 HydrophobicContact CG-CD1 4.32Å; F125-I131 HydrophobicContact CB-CD1 3.75Å; E126-I131 HydrophobicContact CB-CD1 4.23Å; G129-I131 PolarHBondContact O-N 2.66Å; I131-I134 HydrophobicContact CD1-CD1 4.28Å; I131-I134 HydrophobicContact CG2-CD1 4.03Å; I131-I134 HydrophobicContact CG2-CG1 3.62Å; I131-V151 HydrophobicContact CD1-CG1 4.11Å; I131-V151 HydrophobicContact CG1-CG1 4.06Å; I131-V151 HydrophobicContact CG2-CG1 3.86Å; I131-F153 HydrophobicContact CG1-CD1 4.05Å; I131-F153 HydrophobicContact CG1-CE1 3.71Å; I131-F153 HydrophobicContact CG1-CZ 4.34Å
132E98.3Very high95.8Very high98 Ų9875 Ų7546%0.45838%0.381SS..EExtended strand (participates in β ladder)trans-89.3-47.5174.2-70.1-71.5137.100111.4K130 T152 D154K130-E132 IonicContact NZ-OE1 3.96Å; K130-E132 PolarHBondContact NZ-OE1 3.08Å; E132-T152 PolarHBondContact N-O 3.38Å; E132-D154 HydrophobicContact CG-CB 4.01Å
133V97.9Very high95.3Very high69 Ų6973.8 Ų73.842%0.41839%0.392SS..EExtended strand (participates in β ladder)trans-145.7138.6-174.1-173.70000111.2E135 T152V133-E135 HydrophobicContact CG1-CG 3.94Å; V133-T152 PolarHBondContact N-O 2.92Å; V133-T152 PolarHBondContact O-N 2.87Å
134I98.1Very high95Very high17 Ų1775.2 Ų75.29%0.08739%0.394CS..EExtended strand (participates in β ladder)trans-119.5131.5169.5-59.1175.3000108.8E118 L121 R122 I131 F150 V151E118-I134 HydrophobicContact CB-CG2 4.45Å; E118-I134 HydrophobicContact CG-CB 3.82Å; E118-I134 HydrophobicContact CG-CD1 3.77Å; E118-I134 HydrophobicContact CG-CG1 4.34Å; E118-I134 HydrophobicContact CG-CG2 3.9Å; L121-I134 HydrophobicContact CB-CD1 4.28Å; L121-I134 HydrophobicContact CB-CG2 4.21Å; L121-I134 HydrophobicContact CD1-CG2 3.72Å; R122-I134 HydrophobicContact CB-CD1 3.62Å; R122-I134 HydrophobicContact CG-CD1 4.29Å; I131-I134 HydrophobicContact CD1-CD1 4.28Å; I131-I134 HydrophobicContact CG2-CD1 4.03Å; I131-I134 HydrophobicContact CG2-CG1 3.62Å; I134-F150 WeakPolarHBondContact CA-O 3.33Å; I134-V151 HydrophobicContact CG1-CG1 4.26Å; I134-V151 HydrophobicContact CG1-CG2 4.42Å; I134-V151 HydrophobicContact CG2-CG2 4.48Å
135E96.9Very high94.8Very high76 Ų7675.5 Ų75.536%0.35540%0.396SS..EExtended strand (participates in β ladder)trans-128.9103.2-179.5-64.8174.98500110K106 V133 M137 A149 F150K106-E135 IonicContact NZ-OE2 2.79Å; K106-E135 PolarHBondContact NZ-OE2 2.69Å; V133-E135 HydrophobicContact CG1-CG 3.94Å; E135-M137 HydrophobicContact CB-SD 4.28Å; E135-A149 CarbonylContact O-C 3.54Å; E135-A149 WeakPolarHBondContact O-CA 3.42Å; E135-A149 WeakPolarHBondContact O-CB 3.41Å; E135-F150 HydrophobicContact CB-CB 4.46Å; E135-F150 PolarHBondContact N-O 2.81Å; E135-F150 PolarHBondContact O-N 3.09Å
136I96.6Very high94.6Very high37 Ų3781.6 Ų81.619%0.1942%0.419CS..EExtended strand (participates in β ladder)trans-84.2120.3170.9-60-177000108.7I112 T116 L121 T138 K145 A149I112-I136 HydrophobicContact CD1-CG2 4.41Å; T116-I136 WeakPolarHBondContact O-CD1 3.26Å; L121-I136 HydrophobicContact CD1-CD1 3.95Å; L121-I136 HydrophobicContact CD1-CG1 3.78Å; I136-T138 PolarHBondContact O-N 2.88Å; I136-K145 HydrophobicContact CG2-CD 3.92Å; I136-K145 HydrophobicContact CG2-CG 3.97Å; I136-A149 HydrophobicContact CG1-CB 4.06Å
137M95.4Very high94.5Very high49 Ų4977.1 Ų77.124%0.24140%0.404CS..EExtended strand (participates in β ladder)trans-82.3121.4-171-58.9-56.8-59.200110.4E135 R146 F148 F150E135-M137 HydrophobicContact CB-SD 4.28Å; M137-R146 WeakPolarHBondContact O-CB 3.4Å; M137-R146 PolarHBondContact O-N 2.68Å; M137-F148 HydrophobicContact CB-CD1 4.41Å; M137-F148 HydrophobicContact CB-CD2 3.95Å; M137-F148 HydrophobicContact CB-CE1 4.09Å; M137-F148 HydrophobicContact CB-CE2 3.65Å; M137-F148 HydrophobicContact CB-CG 4.35Å; M137-F148 HydrophobicContact CB-CZ 3.69Å; M137-F148 WeakPolarHBondContact CB-O 3.42Å; M137-F148 HydrophobicContact CG-CD2 3.63Å; M137-F148 HydrophobicContact CG-CE2 3.33Å; M137-F148 HydrophobicContact CG-CG 4.46Å; M137-F148 HydrophobicContact CG-CZ 3.88Å; M137-F148 PolarHBondContact N-O 2.75Å; M137-F150 HydrophobicContact CG-CD2 3.93Å; M137-F150 HydrophobicContact CG-CE2 3.96Å; M137-F150 HydrophobicContact SD-CD2 3.91Å; M137-F150 HydrophobicContact SD-CE2 4.11Å
138T94Very high94.5Very high67 Ų6772.6 Ų72.641%0.41138%0.382SS..EExtended strand (participates in β ladder)trans-110.4153.6175.654.20000111.2I136 K144 K145 R146I136-T138 PolarHBondContact O-N 2.88Å; T138-K144 CarbonylContact C-O 3.5Å; T138-K144 VanDerWaalsContact CA-O 3.26Å; T138-K144 WeakPolarHBondContact CA-O 3.39Å; T138-K145 HydrophobicContact CG2-CG 4.01Å; T138-R146 WeakPolarHBondContact O-CD 3.39Å
139D90.3Very high94.6Very high73 Ų7370.1 Ų70.139%0.3937%0.373SS..  trans-72.5129.9169.6175.9-108.7000109.6G141 S142 G143 K144 R146D139-G141 PolarHBondContact O-N 2.72Å; D139-G141 PolarHBondContact OD1-N 2.73Å; D139-S142 WeakPolarHBondContact CB-OG 3.42Å; D139-S142 WeakPolarHBondContact OD1-CB 3.36Å; D139-S142 PolarHBondContact OD1-N 2.93Å; D139-S142 PolarHBondContact OD1-OG 3.49Å; D139-G143 VanDerWaalsContact O-CA 3.3Å; D139-G143 WeakPolarHBondContact O-CA 3.32Å; D139-G143 PolarHBondContact O-N 3.19Å; D139-K144 PolarHBondContact N-O 3.04Å; D139-R146 HydrophobicContact CB-CG 4.32Å
140R88.2Confident94.7Very high256 Ų25670.7 Ų70.797%0.96637%0.369SS*.THydrogen-bonded Turntrans-68.5-22.9-172.7-69.2-176.2178.4-174.4-3.3113.4
141G90.2Very high94.7Very high74 Ų7464.6 Ų64.676%0.76334%0.343SS*.THydrogen-bonded Turntrans-87.9-53179.800000112.1D139D139-G141 PolarHBondContact O-N 2.72Å; D139-G141 PolarHBondContact OD1-N 2.73Å
142S91.2Very high94.7Very high71 Ų7165.3 Ų65.350%0.49735%0.348SS..THydrogen-bonded Turntrans-89.4-15.6-173.562.60000114.7D139 K144D139-S142 WeakPolarHBondContact CB-OG 3.42Å; D139-S142 WeakPolarHBondContact OD1-CB 3.36Å; D139-S142 PolarHBondContact OD1-N 2.93Å; D139-S142 PolarHBondContact OD1-OG 3.49Å; S142-K144 PolarHBondContact O-N 2.98Å; S142-K144 VanDerWaalsContact O-N 3.16Å; S142-K144 PolarHBondContact OG-N 2.89Å
143G89.5Confident94.7Very high50 Ų5060.7 Ų60.752%0.51533%0.326SS..  trans70.8-2.1-171.700000114.1D139D139-G143 VanDerWaalsContact O-CA 3.3Å; D139-G143 WeakPolarHBondContact O-CA 3.32Å; D139-G143 PolarHBondContact O-N 3.19Å
144K90.8Very high94.7Very high130 Ų13060.4 Ų60.457%0.56532%0.322SS*.  trans-68.5140.3-178.6-66.9-172.2176.9-168.60111.1T138 D139 S142 R146T138-K144 CarbonylContact C-O 3.5Å; T138-K144 VanDerWaalsContact CA-O 3.26Å; T138-K144 WeakPolarHBondContact CA-O 3.39Å; D139-K144 PolarHBondContact N-O 3.04Å; S142-K144 PolarHBondContact O-N 2.98Å; S142-K144 VanDerWaalsContact O-N 3.16Å; S142-K144 PolarHBondContact OG-N 2.89Å; K144-R146 PolarHBondContact O-N 2.8Å
145K93.4Very high94.7Very high56 Ų5661.3 Ų61.324%0.24333%0.327CS..EExtended strand (participates in β ladder)trans-65.1133.8173.8-66.9177.9-172166.30109.3E114 T116 I136 T138 G147E114-K145 VanDerWaalsContact O-CD 3.28Å; E114-K145 WeakPolarHBondContact O-CD 3.27Å; E114-K145 WeakPolarHBondContact O-CE 3.21Å; E114-K145 PolarHBondContact O-NZ 2.56Å; T116-K145 WeakPolarHBondContact O-CE 3.4Å; T116-K145 PolarHBondContact O-NZ 3.11Å; I136-K145 HydrophobicContact CG2-CD 3.92Å; I136-K145 HydrophobicContact CG2-CG 3.97Å; T138-K145 HydrophobicContact CG2-CG 4.01Å; K145-G147 PolarHBondContact O-N 3.33Å
146R93.9Very high94.7Very high127 Ų12758.6 Ų58.648%0.47931%0.314SS..EExtended strand (participates in β ladder)trans-82.54.6-176.6-63.3175.261-167.5-4.1113.4M137 T138 D139 K144 F148M137-R146 WeakPolarHBondContact O-CB 3.4Å; M137-R146 PolarHBondContact O-N 2.68Å; T138-R146 WeakPolarHBondContact O-CD 3.39Å; D139-R146 HydrophobicContact CB-CG 4.32Å; K144-R146 PolarHBondContact O-N 2.8Å; R146-F148 HydrophobicContact CB-CD1 3.75Å; R146-F148 HydrophobicContact CB-CE1 3.47Å; R146-F148 VanDerWaalsContact CB-CE1 3.47Å; R146-F148 HydrophobicContact CB-CZ 4.46Å; R146-F148 HydrophobicContact CG-CE1 4.39Å; R146-F148 VanDerWaalsContact CZ-CZ 3.48Å; R146-F148 WeakPolarHBondContact O-CD1 3.23Å
147G94.8Very high94.7Very high23 Ų2356.9 Ų56.924%0.23731%0.306CS..EExtended strand (participates in β ladder)trans75.819.4-178.900000114.9G111 I112 K145G111-G147 PolarHBondContact N-O 2.93Å; I112-G147 VanDerWaalsContact CG1-C 3.49Å; I112-G147 PolarHBondContact N-O 2.92Å; I112-G147 WeakPolarHBondContact O-CA 3.31Å; K145-G147 PolarHBondContact O-N 3.33Å
148F96.5Very high94.8Very high33 Ų3354.8 Ų54.815%0.14530%0.296CS..EExtended strand (participates in β ladder)trans-148.2157172.269.7-83.7000112.6F108 V109 M137 R146 F150F108-F148 HydrophobicContact CD2-CB 4.49Å; F108-F148 AromaticContact CD2-CD2 3.98Å; F108-F148 HydrophobicContact CD2-CD2 3.98Å; F108-F148 HydrophobicContact CE2-CB 3.61Å; F108-F148 AromaticContact CE2-CD2 3.42Å; F108-F148 HydrophobicContact CE2-CD2 3.42Å; F108-F148 VanDerWaalsContact CE2-CD2 3.42Å; F108-F148 HydrophobicContact CE2-CE2 4.16Å; F108-F148 AromaticContact CE2-CG 3.67Å; F108-F148 HydrophobicContact CE2-CG 3.67Å; F108-F148 HydrophobicContact CZ-CB 3.78Å; F108-F148 HydrophobicContact CZ-CD2 4.4Å; F108-F148 HydrophobicContact CZ-CG 4.22Å; V109-F148 CarbonylContact O-C 3.55Å; V109-F148 WeakPolarHBondContact O-CA 3.44Å; V109-F148 WeakPolarHBondContact O-CB 3.24Å; M137-F148 HydrophobicContact CB-CD1 4.41Å; M137-F148 HydrophobicContact CB-CD2 3.95Å; M137-F148 HydrophobicContact CB-CE1 4.09Å; M137-F148 HydrophobicContact CB-CE2 3.65Å; M137-F148 HydrophobicContact CB-CG 4.35Å; M137-F148 HydrophobicContact CB-CZ 3.69Å; M137-F148 WeakPolarHBondContact CB-O 3.42Å; M137-F148 HydrophobicContact CG-CD2 3.63Å; M137-F148 HydrophobicContact CG-CE2 3.33Å; M137-F148 HydrophobicContact CG-CG 4.46Å; M137-F148 HydrophobicContact CG-CZ 3.88Å; M137-F148 PolarHBondContact N-O 2.75Å; R146-F148 HydrophobicContact CB-CD1 3.75Å; R146-F148 HydrophobicContact CB-CE1 3.47Å; R146-F148 VanDerWaalsContact CB-CE1 3.47Å; R146-F148 HydrophobicContact CB-CZ 4.46Å; R146-F148 HydrophobicContact CG-CE1 4.39Å; R146-F148 VanDerWaalsContact CZ-CZ 3.48Å; R146-F148 WeakPolarHBondContact O-CD1 3.23Å; F148-F150 HydrophobicContact CD2-CE2 4.09Å; F148-F150 HydrophobicContact CD2-CZ 4.45Å; F148-F150 AromaticContact CE2-CE2 3.75Å; F148-F150 HydrophobicContact CE2-CE2 3.75Å; F148-F150 HydrophobicContact CE2-CZ 4.18Å
149A97.9Very high94.9Very high0 Ų051.6 Ų51.60%028%0.277CS..EExtended strand (participates in β ladder)trans-135.2167.3176.700000111V109 I112 L121 E135 I136V109-A149 PolarHBondContact N-O 3.44Å; V109-A149 PolarHBondContact O-N 3.18Å; I112-A149 HydrophobicContact CD1-CB 3.66Å; L121-A149 HydrophobicContact CD1-CB 3.55Å; E135-A149 CarbonylContact O-C 3.54Å; E135-A149 WeakPolarHBondContact O-CA 3.42Å; E135-A149 WeakPolarHBondContact O-CB 3.41Å; I136-A149 HydrophobicContact CG1-CB 4.06Å
150F98.1Very high95.2Very high34 Ų3448.4 Ų48.415%0.14926%0.259CS..EExtended strand (participates in β ladder)trans-119.9143.3164-63.2-85.3000110.6K106 I107 F108 I134 E135 M137 F148 A180K106-F150 HydrophobicContact CD-CB 4.33Å; K106-F150 HydrophobicContact CD-CD1 4.36Å; K106-F150 VanDerWaalsContact CE-CG 3.49Å; K106-F150 HydrophobicContact CG-CB 4.26Å; K106-F150 HydrophobicContact CG-CD1 4.29Å; I107-F150 VanDerWaalsContact O-CA 3.26Å; I107-F150 WeakPolarHBondContact O-CA 2.94Å; I107-F150 WeakPolarHBondContact O-CD1 3.5Å; F108-F150 HydrophobicContact CB-CD1 4.22Å; F108-F150 HydrophobicContact CB-CE1 3.96Å; F108-F150 AromaticContact CD2-CE1 3.86Å; F108-F150 HydrophobicContact CD2-CE1 3.86Å; F108-F150 HydrophobicContact CD2-CZ 4.02Å; F108-F150 HydrophobicContact CG-CE1 4.42Å; I134-F150 WeakPolarHBondContact CA-O 3.33Å; E135-F150 HydrophobicContact CB-CB 4.46Å; E135-F150 PolarHBondContact N-O 2.81Å; E135-F150 PolarHBondContact O-N 3.09Å; M137-F150 HydrophobicContact CG-CD2 3.93Å; M137-F150 HydrophobicContact CG-CE2 3.96Å; M137-F150 HydrophobicContact SD-CD2 3.91Å; M137-F150 HydrophobicContact SD-CE2 4.11Å; F148-F150 HydrophobicContact CD2-CE2 4.09Å; F148-F150 HydrophobicContact CD2-CZ 4.45Å; F148-F150 AromaticContact CE2-CE2 3.75Å; F148-F150 HydrophobicContact CE2-CE2 3.75Å; F148-F150 HydrophobicContact CE2-CZ 4.18Å; F150-A180 HydrophobicContact CD1-CB 3.88Å; F150-A180 HydrophobicContact CE1-CB 3.94Å
151V98.4Very high95.5Very high0 Ų038.6 Ų38.60%022%0.224CC..EExtended strand (participates in β ladder)trans-123.9126.4172.6-176.90000107.6K106 I107 V109 F125 I131 I134 F153K106-V151 CarbonylContact C-O 3.47Å; K106-V151 WeakPolarHBondContact CA-O 3.46Å; I107-V151 HydrophobicContact CD1-CB 3.95Å; I107-V151 HydrophobicContact CD1-CG2 4.36Å; I107-V151 HydrophobicContact CG1-CB 3.68Å; I107-V151 HydrophobicContact CG1-CG2 4.39Å; I107-V151 WeakPolarHBondContact CG1-O 3.07Å; I107-V151 PolarHBondContact N-O 2.92Å; I107-V151 PolarHBondContact O-N 3Å; I107-V151 VanDerWaalsContact O-N 3.13Å; V109-V151 HydrophobicContact CG2-CG2 4.21Å; F125-V151 HydrophobicContact CB-CG1 4.46Å; F125-V151 HydrophobicContact CD2-CG2 3.91Å; F125-V151 HydrophobicContact CE2-CG2 4.26Å; I131-V151 HydrophobicContact CD1-CG1 4.11Å; I131-V151 HydrophobicContact CG1-CG1 4.06Å; I131-V151 HydrophobicContact CG2-CG1 3.86Å; I134-V151 HydrophobicContact CG1-CG1 4.26Å; I134-V151 HydrophobicContact CG1-CG2 4.42Å; I134-V151 HydrophobicContact CG2-CG2 4.48Å; V151-F153 HydrophobicContact CB-CE2 4.26Å; V151-F153 HydrophobicContact CG1-CD2 4.3Å; V151-F153 HydrophobicContact CG1-CE2 3.74Å; V151-F153 HydrophobicContact CG1-CZ 3.9Å
152T98.5Very high95.7Very high31 Ų3135.1 Ų35.119%0.1919%0.187CC..EExtended strand (participates in β ladder)trans-108.9124.5178.4-50.50000108.6K105 E132 V133K105-T152 CarbonylContact O-C 3.58Å; K105-T152 WeakPolarHBondContact O-CA 3.31Å; E132-T152 PolarHBondContact N-O 3.38Å; V133-T152 PolarHBondContact N-O 2.92Å; V133-T152 PolarHBondContact O-N 2.87Å
153F98.6Very high95.9Very high2 Ų233.1 Ų33.11%0.00917%0.172CC..EExtended strand (participates in β ladder)trans-98.2164177.3-66.9-91.1000111.1K105 I107 F125 K130 I131 V151 D155 V159 I162K105-F153 WeakPolarHBondContact CB-O 3.16Å; K105-F153 PolarHBondContact O-N 2.95Å; I107-F153 HydrophobicContact CD1-CE2 3.84Å; I107-F153 HydrophobicContact CD1-CZ 4.42Å; I107-F153 HydrophobicContact CG1-CE2 4Å; F125-F153 HydrophobicContact CB-CE1 4.43Å; F125-F153 HydrophobicContact CB-CZ 3.91Å; F125-F153 HydrophobicContact CD1-CZ 4.45Å; F125-F153 HydrophobicContact CG-CZ 4.41Å; K130-F153 WeakPolarHBondContact O-CA 3.39Å; I131-F153 HydrophobicContact CG1-CD1 4.05Å; I131-F153 HydrophobicContact CG1-CE1 3.71Å; I131-F153 HydrophobicContact CG1-CZ 4.34Å; V151-F153 HydrophobicContact CB-CE2 4.26Å; V151-F153 HydrophobicContact CG1-CD2 4.3Å; V151-F153 HydrophobicContact CG1-CE2 3.74Å; V151-F153 HydrophobicContact CG1-CZ 3.9Å; F153-D155 VanDerWaalsContact C-N 3.31Å; F153-D155 WeakPolarHBondContact CB-O 3.44Å; F153-V159 HydrophobicContact CD2-CG2 3.88Å; F153-I162 HydrophobicContact CE1-CD1 4.19Å; F153-I162 HydrophobicContact CE2-CD1 3.58Å; F153-I162 HydrophobicContact CZ-CD1 3.29Å
154D97.4Very high95.9Very high62 Ų6233.3 Ų33.333%0.33216%0.161SC..SBendtrans-71.1-29.317170.8-27.3000112.5K105 K130 E132K105-D154 WeakPolarHBondContact CD-O 3.47Å; K105-D154 VanDerWaalsContact CE-O 3.25Å; K105-D154 WeakPolarHBondContact CE-O 3.45Å; K105-D154 PolarHBondContact NZ-O 3.48Å; K130-D154 HydrophobicContact CB-CB 4.37Å; K130-D154 HydrophobicContact CD-CB 4.42Å; K130-D154 PolarHBondContact O-N 3.02Å; E132-D154 HydrophobicContact CG-CB 4.01Å
155D97.2Very high95.8Very high36 Ų3632.2 Ų32.219%0.19316%0.158CC..SBendtrans-130.2150.4-175.9-173.829.1000113.3R75 F153 D157R75-D155 IonicContact CZ-OD1 3.88Å; R75-D155 IonicContact CZ-OD2 2.73Å; R75-D155 VanDerWaalsContact CZ-OD2 3.3Å; R75-D155 IonicContact NH1-OD1 2.56Å; R75-D155 PolarHBondContact NH1-OD1 2.95Å; R75-D155 IonicContact NH1-OD2 3.85Å; R75-D155 PolarHBondContact NH1-OD2 2.86Å; R75-D155 VanDerWaalsContact NH1-OD2 3.08Å; R75-D155 IonicContact NH2-OD1 2.94Å; R75-D155 IonicContact NH2-OD2 3.67Å; R75-D155 PolarHBondContact NH2-OD2 3.1Å; F153-D155 VanDerWaalsContact C-N 3.31Å; F153-D155 WeakPolarHBondContact CB-O 3.44Å; D155-D157 WeakPolarHBondContact OD2-CB 3.27Å; D155-D157 PolarHBondContact OD2-N 3.49Å
156H96.8Very high95.7Very high19 Ų1932.3 Ų32.39%0.08816%0.158CC..Hα-helixtrans-76.7-24.2178.872.584.3000112.9R75 T103 V104 K105 S158 V159 D160R75-H156 PolarHBondContact NH1-CD2 3.3Å; R75-H156 PolarHBondContact NH1-CE1 2.85Å; R75-H156 PolarHBondContact NH1-NE2 3.47Å; T103-H156 HydrophobicContact CG2-CB 3.67Å; T103-H156 VanDerWaalsContact CG2-CG 3.48Å; V104-H156 WeakPolarHBondContact O-CB 3.34Å; K105-H156 HydrophobicContact CG-CB 4.42Å; H156-S158 PolarHBondContact O-N 3.26Å; H156-V159 WeakPolarHBondContact O-CA 3.5Å; H156-V159 WeakPolarHBondContact O-CB 3.34Å; H156-V159 PolarHBondContact O-N 3.13Å; H156-D160 IonicContact CE1-OD2 2.66Å; H156-D160 IonicContact ND1-OD2 2.88Å; H156-D160 PolarHBondContact ND1-OD2 2.83Å; H156-D160 PolarHBondContact O-N 3.49Å
157D97.3Very high95.8Very high2 Ų231.1 Ų31.11%0.01116%0.155CC..Hα-helixtrans-61.4-36.7178.5-175.345.8000111.2M72 R88 D155 V159 D160 K161M72-D157 HydrophobicContact CE-CB 3.73Å; M72-D157 VanDerWaalsContact CE-OD1 3.27Å; M72-D157 WeakPolarHBondContact CE-OD1 3.08Å; R88-D157 IonicContact CZ-OD1 2.78Å; R88-D157 IonicContact CZ-OD2 3.03Å; R88-D157 IonicContact NE-OD1 3.72Å; R88-D157 PolarHBondContact NE-OD1 2.94Å; R88-D157 IonicContact NH2-OD1 3.52Å; R88-D157 PolarHBondContact NH2-OD1 2.82Å; R88-D157 IonicContact NH2-OD2 3.46Å; R88-D157 PolarHBondContact NH2-OD2 3.42Å; D155-D157 WeakPolarHBondContact OD2-CB 3.27Å; D155-D157 PolarHBondContact OD2-N 3.49Å; D157-V159 VanDerWaalsContact C-N 3.3Å; D157-V159 PolarHBondContact O-N 2.85Å; D157-D160 PolarHBondContact O-N 3.31Å; D157-K161 WeakPolarHBondContact O-CB 3.38Å; D157-K161 WeakPolarHBondContact O-CG 3.29Å; D157-K161 PolarHBondContact O-N 3.27Å; D157-K161 WeakPolarHBondContact OD2-CE 3.11Å; D157-K161 IonicContact OD2-NZ 2.95Å; D157-K161 PolarHBondContact OD2-NZ 2.99Å
158S97.3Very high95.9Very high5 Ų530 Ų304%0.03514%0.143CC..Hα-helixtrans-56.1-46.6172.7-46.70000110.9Y128 H156 I162Y128-S158 PolarHBondContact O-OG 3.46Å; H156-S158 PolarHBondContact O-N 3.26Å; S158-I162 VanDerWaalsContact O-CD1 3.26Å; S158-I162 WeakPolarHBondContact O-CD1 3.41Å; S158-I162 WeakPolarHBondContact O-CG1 3.12Å; S158-I162 PolarHBondContact O-N 2.72Å; S158-I162 VanDerWaalsContact O-N 3.13Å
159V97.4Very high95.9Very high0 Ų032.6 Ų32.60%016%0.162CC..Hα-helixtrans-64.3-47.9176.9174.90000111.2V104 K105 I107 F153 H156 D157 K161 I162 V163 K179V104-V159 HydrophobicContact CG2-CG1 4.03Å; V104-V159 WeakPolarHBondContact O-CB 3.39Å; V104-V159 WeakPolarHBondContact O-CG2 3.22Å; K105-V159 VanDerWaalsContact C-CG2 3.46Å; I107-V159 HydrophobicContact CG2-CB 4.12Å; I107-V159 HydrophobicContact CG2-CG1 3.57Å; I107-V159 HydrophobicContact CG2-CG2 3.97Å; F153-V159 HydrophobicContact CD2-CG2 3.88Å; H156-V159 WeakPolarHBondContact O-CA 3.5Å; H156-V159 WeakPolarHBondContact O-CB 3.34Å; H156-V159 PolarHBondContact O-N 3.13Å; D157-V159 VanDerWaalsContact C-N 3.3Å; D157-V159 PolarHBondContact O-N 2.85Å; V159-K161 VanDerWaalsContact C-N 3.31Å; V159-K161 PolarHBondContact O-N 3.47Å; V159-I162 PolarHBondContact O-N 3.37Å; V159-V163 HydrophobicContact CG1-CG1 4.17Å; V159-V163 WeakPolarHBondContact O-CG1 3.42Å; V159-V163 WeakPolarHBondContact O-CG2 3.45Å; V159-V163 PolarHBondContact O-N 3.09Å; V159-K179 HydrophobicContact CG1-CG 3.92Å
160D95.3Very high95.9Very high6 Ų632.8 Ų32.83%0.03216%0.163CC..Hα-helixtrans-61.6-39-178.6-70.7-32.7000111.4R88 H156 D157 I164 K179R88-D160 HydrophobicContact CB-CB 3.95Å; R88-D160 HydrophobicContact CG-CB 3.74Å; H156-D160 IonicContact CE1-OD2 2.66Å; H156-D160 IonicContact ND1-OD2 2.88Å; H156-D160 PolarHBondContact ND1-OD2 2.83Å; H156-D160 PolarHBondContact O-N 3.49Å; D157-D160 PolarHBondContact O-N 3.31Å; D160-I164 WeakPolarHBondContact O-CD1 3.31Å; D160-I164 WeakPolarHBondContact O-CG1 3.39Å; D160-K179 WeakPolarHBondContact OD1-CE 3.43Å; D160-K179 IonicContact OD1-NZ 3.36Å; D160-K179 PolarHBondContact OD1-NZ 3.19Å
161K94.3Very high95.7Very high50 Ų5033.8 Ų33.822%0.21717%0.17CC..Hα-helixtrans-61.6-46.9173-84-174.6-92.2-151.30112.4D69 R88 Y128 D157 V159D69-K161 IonicContact OD1-NZ 2.93Å; D69-K161 PolarHBondContact OD1-NZ 3.44Å; R88-K161 HydrophobicContact CG-CG 4.45Å; Y128-K161 HydrophobicContact CD1-CB 4.27Å; D157-K161 WeakPolarHBondContact O-CB 3.38Å; D157-K161 WeakPolarHBondContact O-CG 3.29Å; D157-K161 PolarHBondContact O-N 3.27Å; D157-K161 WeakPolarHBondContact OD2-CE 3.11Å; D157-K161 IonicContact OD2-NZ 2.95Å; D157-K161 PolarHBondContact OD2-NZ 2.99Å; V159-K161 VanDerWaalsContact C-N 3.31Å; V159-K161 PolarHBondContact O-N 3.47Å
162I95.7Very high95.5Very high0 Ų037.1 Ų37.10%020%0.204CC..Hα-helixtrans-64.7-50.5-176.7-68.4162.5000110.5I107 F125 Y128 F153 S158 V159 I164 Q165 H168 V177I107-I162 HydrophobicContact CD1-CD1 4.1Å; I107-I162 HydrophobicContact CD1-CG2 4.3Å; F125-I162 HydrophobicContact CD1-CD1 3.8Å; F125-I162 HydrophobicContact CD1-CG1 4.41Å; F125-I162 HydrophobicContact CE1-CD1 4.29Å; F125-I162 HydrophobicContact CE1-CG2 3.97Å; Y128-I162 HydrophobicContact CD1-CG1 3.6Å; Y128-I162 HydrophobicContact CD2-CD1 4.01Å; Y128-I162 HydrophobicContact CD2-CG1 3.68Å; Y128-I162 HydrophobicContact CE1-CG1 4.02Å; Y128-I162 HydrophobicContact CE2-CG1 4.08Å; Y128-I162 HydrophobicContact CG-CD1 3.89Å; Y128-I162 HydrophobicContact CG-CG1 3.42Å; Y128-I162 VanDerWaalsContact CG-CG1 3.42Å; F153-I162 HydrophobicContact CE1-CD1 4.19Å; F153-I162 HydrophobicContact CE2-CD1 3.58Å; F153-I162 HydrophobicContact CZ-CD1 3.29Å; S158-I162 VanDerWaalsContact O-CD1 3.26Å; S158-I162 WeakPolarHBondContact O-CD1 3.41Å; S158-I162 WeakPolarHBondContact O-CG1 3.12Å; S158-I162 PolarHBondContact O-N 2.72Å; S158-I162 VanDerWaalsContact O-N 3.13Å; V159-I162 PolarHBondContact O-N 3.37Å; I162-I164 PolarHBondContact O-N 3.11Å; I162-I164 VanDerWaalsContact O-N 3.09Å; I162-Q165 PolarHBondContact O-N 3.31Å; I162-H168 PolarHBondContact O-NE2 2.87Å; I162-V177 HydrophobicContact CG2-CB 4.18Å; I162-V177 HydrophobicContact CG2-CG1 3.51Å
163V94.3Very high95.3Very high29 Ų2938 Ų3818%0.17621%0.206CC..Hα-helixtrans-71.7-8.5-169.6-59.80000114.8I107 V159 V177 K179I107-V163 HydrophobicContact CG2-CG1 4.22Å; V159-V163 HydrophobicContact CG1-CG1 4.17Å; V159-V163 WeakPolarHBondContact O-CG1 3.42Å; V159-V163 WeakPolarHBondContact O-CG2 3.45Å; V159-V163 PolarHBondContact O-N 3.09Å; V163-V177 HydrophobicContact CG1-CG1 4.41Å; V163-K179 HydrophobicContact CG1-CG 4.07Å; V163-K179 HydrophobicContact CG2-CG 4.31Å
164I90.1Very high95.2Very high55 Ų5542.5 Ų42.528%0.28223%0.23SC..Hα-helixtrans-62.5-38.4169.2-64.5159.9000109.7L13 R88 D160 I162L13-I164 HydrophobicContact CD2-CB 4.37Å; L13-I164 HydrophobicContact CD2-CD1 3.94Å; L13-I164 HydrophobicContact CD2-CG2 3.56Å; R88-I164 HydrophobicContact CB-CD1 4.25Å; R88-I164 HydrophobicContact CG-CD1 4.46Å; D160-I164 WeakPolarHBondContact O-CD1 3.31Å; D160-I164 WeakPolarHBondContact O-CG1 3.39Å; I162-I164 PolarHBondContact O-N 3.11Å; I162-I164 VanDerWaalsContact O-N 3.09Å
165Q89.6Confident95.1Very high106 Ų10639.6 Ų39.650%0.49522%0.215SC..SBendtrans-90.7118.9170.3-178.3169.1-19.600109I162 Y167 H168I162-Q165 PolarHBondContact O-N 3.31Å; Q165-Y167 VanDerWaalsContact CG-O 3.26Å; Q165-Y167 WeakPolarHBondContact CG-O 3.46Å; Q165-Y167 PolarHBondContact NE2-O 3.24Å; Q165-H168 PolarHBondContact O-NE2 2.96Å
166K90.8Very high95.1Very high59 Ų5939.8 Ų39.826%0.25721%0.214SC..SBendtrans-71.1-35.5-177.3-173.9-178.9177.2-1610112.9E176 V177K166-E176 VanDerWaalsContact CE-CD 3.41Å; K166-E176 WeakPolarHBondContact CE-OE1 3.1Å; K166-E176 HydrophobicContact CG-CG 4.22Å; K166-E176 IonicContact NZ-OE1 3.7Å; K166-E176 WeakPolarHBondContact O-CA 3.23Å; K166-V177 PolarHBondContact O-N 2.67Å
167Y95.8Very high95Very high102 Ų10239 Ų3940%0.421%0.211SC..EExtended strand (participates in β ladder)trans-121.4127.8-170.1-67.5-67000110.7Q165 N174 C175 E176Q165-Y167 VanDerWaalsContact CG-O 3.26Å; Q165-Y167 WeakPolarHBondContact CG-O 3.46Å; Q165-Y167 PolarHBondContact NE2-O 3.24Å; Y167-N174 WeakPolarHBondContact CB-OD1 3.49Å; Y167-C175 CarbonylContact C-O 3.54Å; Y167-C175 VanDerWaalsContact CA-O 3.3Å; Y167-C175 WeakPolarHBondContact CA-O 3.26Å; Y167-E176 HydrophobicContact CD1-CB 4.19Å; Y167-E176 HydrophobicContact CE1-CB 4.01Å; Y167-E176 HydrophobicContact CE1-CG 4.28Å
168H97.3Very high94.9Very high0 Ų044.5 Ų44.50%023%0.231CC..EExtended strand (participates in β ladder)trans-121.7149180-65.4-96.7000109.5Y124 I162 Q165 V170 N174 C175 V177Y124-H168 HydrophobicContact CE1-CB 3.72Å; Y124-H168 AromaticContact CE1-CG 3.89Å; Y124-H168 AromaticContact CE1-ND1 3.54Å; Y124-H168 AromaticContact CZ-ND1 3.63Å; Y124-H168 PolarHBondContact OH-ND1 3.37Å; I162-H168 PolarHBondContact O-NE2 2.87Å; Q165-H168 PolarHBondContact O-NE2 2.96Å; H168-V170 HydrophobicContact CB-CG2 4.48Å; H168-N174 CarbonylContact O-C 3.47Å; H168-N174 WeakPolarHBondContact O-CA 3.33Å; H168-N174 PolarHBondContact O-OD1 3.25Å; H168-C175 PolarHBondContact N-O 3.45Å; H168-C175 PolarHBondContact O-N 3.14Å; H168-C175 PolarHBondContact O-SG 3.17Å; H168-V177 HydrophobicContact CB-CG2 4.35Å; H168-V177 WeakPolarHBondContact CD2-CG2 3.18Å
169T96.9Very high94.8Very high87 Ų8745.3 Ų45.353%0.53423%0.234SC..EExtended strand (participates in β ladder)trans-100.6111.2173.9-58.80000108.9Y124 H173Y124-T169 WeakPolarHBondContact CE2-O 3.29Å; T169-H173 CarbonylContact C-O 3.48Å; T169-H173 WeakPolarHBondContact CA-O 3.06Å
170V96.5Very high94.8Very high3 Ų345.9 Ų45.92%0.01824%0.239CC..EExtended strand (participates in β ladder)trans-124.9129.6179.7-178.10000108.6H120 L121 Y124 F125 H168 G172 H173H120-V170 HydrophobicContact CB-CG1 4.31Å; H120-V170 WeakPolarHBondContact O-CG1 3.46Å; L121-V170 HydrophobicContact CD2-CG1 4.12Å; Y124-V170 HydrophobicContact CD1-CG2 3.51Å; Y124-V170 HydrophobicContact CD2-CG2 4.31Å; Y124-V170 HydrophobicContact CE1-CG2 3.95Å; Y124-V170 HydrophobicContact CG-CG2 3.71Å; F125-V170 HydrophobicContact CE2-CG2 4.39Å; F125-V170 HydrophobicContact CZ-CG2 4.43Å; H168-V170 HydrophobicContact CB-CG2 4.48Å; V170-G172 PolarHBondContact O-N 3.27Å; V170-H173 PolarHBondContact N-O 3Å; V170-H173 PolarHBondContact O-N 3.42Å
171N94.9Very high94.6Very high56 Ų5647.3 Ų47.330%0.29925%0.247SC..THydrogen-bonded Turntrans53.137.8-175.7-168.233000113.1D115 H120 H173D115-N171 PolarHBondContact OD1-ND2 2.9Å; D115-N171 VanDerWaalsContact OD1-ND2 3.16Å; D115-N171 PolarHBondContact OD2-ND2 3.35Å; H120-N171 HydrophobicContact CB-CB 4.08Å; H120-N171 PolarHBondContact ND1-ND2 3.47Å; N171-H173 PolarHBondContact O-CD2 2.81Å; N171-H173 PolarHBondContact O-N 3.45Å; N171-H173 PolarHBondContact O-NE2 2.64Å
172G94.6Very high94.3Very high70 Ų7047.5 Ų47.572%0.72225%0.254SS*.THydrogen-bonded Turntrans72.70.7-176.300000115.4V170V170-G172 PolarHBondContact O-N 3.27Å
173H93.8Very high93.9Very high48 Ų4856.2 Ų56.222%0.22229%0.292CS..EExtended strand (participates in β ladder)trans-108.6138.9-178.7-56.1-62.7000111.3K113 D115 T169 V170 N171 C175K113-H173 HydrophobicContact CG-CB 4.28Å; K113-H173 WeakPolarHBondContact CG-ND1 3.33Å; D115-H173 IonicContact OD1-CD2 3.6Å; D115-H173 IonicContact OD1-NE2 3.25Å; D115-H173 PolarHBondContact OD1-NE2 3.35Å; D115-H173 IonicContact OD2-CD2 3.94Å; D115-H173 IonicContact OD2-CE1 3.83Å; D115-H173 IonicContact OD2-NE2 2.93Å; D115-H173 PolarHBondContact OD2-NE2 2.94Å; T169-H173 CarbonylContact C-O 3.48Å; T169-H173 WeakPolarHBondContact CA-O 3.06Å; V170-H173 PolarHBondContact N-O 3Å; V170-H173 PolarHBondContact O-N 3.42Å; N171-H173 PolarHBondContact O-CD2 2.81Å; N171-H173 PolarHBondContact O-N 3.45Å; N171-H173 PolarHBondContact O-NE2 2.64Å; H173-C175 PolarHBondContact O-N 3Å
174N95.4Very high93.5Very high98 Ų9862.8 Ų62.852%0.52432%0.321SS..EExtended strand (participates in β ladder)trans-78.3114.7173.5-168.545.4000110.2Y167 H168Y167-N174 WeakPolarHBondContact CB-OD1 3.49Å; H168-N174 CarbonylContact O-C 3.47Å; H168-N174 WeakPolarHBondContact O-CA 3.33Å; H168-N174 PolarHBondContact O-OD1 3.25Å
175C96.2Very high93.4Very high0 Ų063.3 Ų63.30%032%0.322CS..EExtended strand (participates in β ladder)trans-110.6148.9178.466.10000111.3V109 G110 I112 Y167 H168 H173V109-C175 HydrophobicContact CG1-CB 3.98Å; G110-C175 CarbonylContact O-C 3.55Å; G110-C175 WeakPolarHBondContact O-CA 3.37Å; G110-C175 WeakPolarHBondContact O-CB 3.33Å; I112-C175 HydrophobicContact CG2-CB 4.01Å; Y167-C175 CarbonylContact C-O 3.54Å; Y167-C175 VanDerWaalsContact CA-O 3.3Å; Y167-C175 WeakPolarHBondContact CA-O 3.26Å; H168-C175 PolarHBondContact N-O 3.45Å; H168-C175 PolarHBondContact O-N 3.14Å; H168-C175 PolarHBondContact O-SG 3.17Å; H173-C175 PolarHBondContact O-N 3Å
176E96.2Very high93.1Very high40 Ų4062.6 Ų62.619%0.18732%0.32CS..EExtended strand (participates in β ladder)trans-95.8128174.8-179.9169172.400109.7G110 K166 Y167 R178G110-E176 PolarHBondContact N-O 2.81Å; G110-E176 PolarHBondContact O-N 2.88Å; K166-E176 VanDerWaalsContact CE-CD 3.41Å; K166-E176 WeakPolarHBondContact CE-OE1 3.1Å; K166-E176 HydrophobicContact CG-CG 4.22Å; K166-E176 IonicContact NZ-OE1 3.7Å; K166-E176 WeakPolarHBondContact O-CA 3.23Å; Y167-E176 HydrophobicContact CD1-CB 4.19Å; Y167-E176 HydrophobicContact CE1-CB 4.01Å; Y167-E176 HydrophobicContact CE1-CG 4.28Å; E176-R178 HydrophobicContact CG-CG 4.5Å; E176-R178 IonicContact OE1-CZ 3.08Å; E176-R178 IonicContact OE1-NE 2.76Å; E176-R178 PolarHBondContact OE1-NE 3Å; E176-R178 IonicContact OE1-NH2 2.73Å; E176-R178 PolarHBondContact OE1-NH2 3.11Å
177V96.5Very high93Very high2 Ų262.6 Ų62.61%0.01233%0.331CS..EExtended strand (participates in β ladder)trans-113136.6179.4-174.80000111.2I107 F108 V109 F125 I162 V163 K166 H168I107-V177 HydrophobicContact CB-CG1 3.9Å; I107-V177 HydrophobicContact CD1-CG1 3.86Å; I107-V177 HydrophobicContact CG1-CG1 4.43Å; I107-V177 HydrophobicContact CG2-CG1 4.07Å; F108-V177 WeakPolarHBondContact O-CA 3.17Å; V109-V177 HydrophobicContact CG1-CG2 4.25Å; V109-V177 HydrophobicContact CG2-CG2 4.3Å; F125-V177 HydrophobicContact CE1-CG2 4.33Å; F125-V177 HydrophobicContact CZ-CG2 3.96Å; I162-V177 HydrophobicContact CG2-CB 4.18Å; I162-V177 HydrophobicContact CG2-CG1 3.51Å; V163-V177 HydrophobicContact CG1-CG1 4.41Å; K166-V177 PolarHBondContact O-N 2.67Å; H168-V177 HydrophobicContact CB-CG2 4.35Å; H168-V177 WeakPolarHBondContact CD2-CG2 3.18Å
178R94.4Very high92.3Very high118 Ų11860.9 Ų60.945%0.44533%0.334SS..EExtended strand (participates in β ladder)trans-144161.3176.5-64.2-174.7173.1-172.2-0.5111I107 F108 E176 A180I107-R178 CarbonylContact C-O 3.57Å; I107-R178 WeakPolarHBondContact CA-O 3.47Å; F108-R178 PolarHBondContact N-O 2.93Å; F108-R178 PolarHBondContact O-N 3.35Å; E176-R178 HydrophobicContact CG-CG 4.5Å; E176-R178 IonicContact OE1-CZ 3.08Å; E176-R178 IonicContact OE1-NE 2.76Å; E176-R178 PolarHBondContact OE1-NE 3Å; E176-R178 IonicContact OE1-NH2 2.73Å; E176-R178 PolarHBondContact OE1-NH2 3.11Å; R178-A180 PolarHBondContact O-N 3.37Å
179K96.2Very high91.5Very high22 Ų2261.9 Ų61.910%0.09634%0.342CS..EExtended strand (participates in β ladder)trans-56.3129.9164.7-71.2-171.9173.3-175.70109.5A100 L102 V104 V159 D160 V163 L181A100-K179 PolarHBondContact O-NZ 3.35Å; L102-K179 PolarHBondContact O-NZ 3.43Å; V104-K179 HydrophobicContact CG2-CB 3.73Å; V104-K179 HydrophobicContact CG2-CD 4Å; V104-K179 HydrophobicContact CG2-CG 3.8Å; V159-K179 HydrophobicContact CG1-CG 3.92Å; D160-K179 WeakPolarHBondContact OD1-CE 3.43Å; D160-K179 IonicContact OD1-NZ 3.36Å; D160-K179 PolarHBondContact OD1-NZ 3.19Å; V163-K179 HydrophobicContact CG1-CG 4.07Å; V163-K179 HydrophobicContact CG2-CG 4.31Å; K179-L181 PolarHBondContact O-N 3.38Å
180A95.7Very high90.1Very high12 Ų1261.3 Ų61.310%0.09934%0.341CS..PPolyproline II helixtrans-72.7121.4177.500000109.6K106 F150 R178K106-A180 HydrophobicContact CB-CB 3.89Å; K106-A180 HydrophobicContact CD-CB 4.27Å; K106-A180 HydrophobicContact CG-CB 3.72Å; K106-A180 VanDerWaalsContact O-CB 3.22Å; K106-A180 WeakPolarHBondContact O-CB 3.49Å; K106-A180 PolarHBondContact O-N 3.36Å; F150-A180 HydrophobicContact CD1-CB 3.88Å; F150-A180 HydrophobicContact CE1-CB 3.94Å; R178-A180 PolarHBondContact O-N 3.37Å
181L92.1Very high88.4Confident37 Ų3764.8 Ų64.819%0.19437%0.366CS..PPolyproline II helixtrans-92.4143.1173.4-59.5-177.5000109.5P98 L102 K179 E185 M186P98-L181 HydrophobicContact CB-CD1 4.37Å; L102-L181 HydrophobicContact CD1-CD2 3.69Å; K179-L181 PolarHBondContact O-N 3.38Å; L181-E185 HydrophobicContact CB-CB 3.93Å; L181-E185 HydrophobicContact CD2-CB 4.45Å; L181-M186 HydrophobicContact CB-CG 3.63Å; L181-M186 HydrophobicContact CD1-CG 4.4Å
182S88.2Confident86.6Confident53 Ų5366.4 Ų66.437%0.37138%0.382SS..PPolyproline II helixtrans-61.1160.6167.668.60000110.7Q184 E185 M186S182-Q184 PolarHBondContact O-N 3.32Å; S182-E185 WeakPolarHBondContact CB-OE2 3.37Å; S182-E185 PolarHBondContact N-OE2 3.17Å; S182-E185 PolarHBondContact O-N 3.15Å; S182-E185 VanDerWaalsContact O-N 3.13Å; S182-E185 WeakPolarHBondContact OG-CB 3.41Å; S182-E185 VanDerWaalsContact OG-CD 3.28Å; S182-E185 VanDerWaalsContact OG-CG 3.26Å; S182-E185 WeakPolarHBondContact OG-CG 3.28Å; S182-E185 PolarHBondContact OG-N 3.09Å; S182-E185 PolarHBondContact OG-OE2 3.34Å; S182-M186 WeakPolarHBondContact O-CG 3.39Å; S182-M186 PolarHBondContact O-N 3.36Å
183K86.8Confident84.5Confident184 Ų18471.3 Ų71.380%0.839%0.386SS*.Hα-helixtrans-56.1-35.3176.5-68.3-178.2-179.5176.90112.4M186 A187K183-M186 HydrophobicContact CG-CE 4.48Å; K183-A187 WeakPolarHBondContact O-CB 3.27Å; K183-A187 PolarHBondContact O-N 2.8Å
184Q86.6Confident82.4Confident166 Ų16680.2 Ų80.278%0.77642%0.417SS*.Hα-helixtrans-69.3-44.2177.9-69.2177.3-10.500111.4S182 A187 S188S182-Q184 PolarHBondContact O-N 3.32Å; Q184-A187 PolarHBondContact O-N 3.02Å; Q184-S188 PolarHBondContact O-N 3.26Å; Q184-S188 PolarHBondContact O-OG 3.02Å
185E86.4Confident79.9Confident66 Ų6678.9 Ų78.931%0.30843%0.427SS..Hα-helixtrans-66-36.8176-70.8162.9135.200112.2L102 L181 S182 S188 A189L102-E185 VanDerWaalsContact CD1-OE1 3.27Å; L102-E185 WeakPolarHBondContact CD1-OE1 2.93Å; L181-E185 HydrophobicContact CB-CB 3.93Å; L181-E185 HydrophobicContact CD2-CB 4.45Å; S182-E185 WeakPolarHBondContact CB-OE2 3.37Å; S182-E185 PolarHBondContact N-OE2 3.17Å; S182-E185 PolarHBondContact O-N 3.15Å; S182-E185 VanDerWaalsContact O-N 3.13Å; S182-E185 WeakPolarHBondContact OG-CB 3.41Å; S182-E185 VanDerWaalsContact OG-CD 3.28Å; S182-E185 VanDerWaalsContact OG-CG 3.26Å; S182-E185 WeakPolarHBondContact OG-CG 3.28Å; S182-E185 PolarHBondContact OG-N 3.09Å; S182-E185 PolarHBondContact OG-OE2 3.34Å; E185-S188 WeakPolarHBondContact CA-OG 3.33Å; E185-S188 PolarHBondContact O-N 3.38Å; E185-S188 PolarHBondContact O-OG 2.69Å; E185-A189 WeakPolarHBondContact O-CB 3.39Å; E185-A189 PolarHBondContact O-N 2.73Å
186M85.3Confident77.6Confident91 Ų9190.8 Ų90.845%0.44847%0.472SS..Hα-helixtrans-65.3-40.2172.9-72.4-161.9-72.100112L181 S182 K183 S190L181-M186 HydrophobicContact CB-CG 3.63Å; L181-M186 HydrophobicContact CD1-CG 4.4Å; S182-M186 WeakPolarHBondContact O-CG 3.39Å; S182-M186 PolarHBondContact O-N 3.36Å; K183-M186 HydrophobicContact CG-CE 4.48Å; M186-S190 WeakPolarHBondContact O-CB 3.42Å; M186-S190 PolarHBondContact O-N 3.34Å; M186-S190 PolarHBondContact O-OG 2.91Å
187A87Confident75.1Confident60 Ų6094.2 Ų94.250%0.49650%0.501SS..Hα-helixtrans-65.4-41.8177.400000111.7K183 Q184 S190 S191K183-A187 WeakPolarHBondContact O-CB 3.27Å; K183-A187 PolarHBondContact O-N 2.8Å; Q184-A187 PolarHBondContact O-N 3.02Å; A187-S190 PolarHBondContact O-N 3.21Å; A187-S191 PolarHBondContact O-N 3.17Å; A187-S191 PolarHBondContact O-OG 2.86Å
188S82.7Confident72.6Confident66 Ų6697.4 Ų97.446%0.46253%0.533SS..Hα-helixtrans-71.7-34.8177.464.20000113.2Q184 E185 S190 S191 S192Q184-S188 PolarHBondContact O-N 3.26Å; Q184-S188 PolarHBondContact O-OG 3.02Å; E185-S188 WeakPolarHBondContact CA-OG 3.33Å; E185-S188 PolarHBondContact O-N 3.38Å; E185-S188 PolarHBondContact O-OG 2.69Å; S188-S190 VanDerWaalsContact C-N 3.28Å; S188-S190 PolarHBondContact O-N 2.89Å; S188-S191 PolarHBondContact O-OG 3.49Å; S188-S191 VanDerWaalsContact O-OG 3.08Å; S188-S192 PolarHBondContact O-N 3.4Å; S188-S192 PolarHBondContact O-OG 3.21Å
189A78.7Confident70.3Confident20 Ų2098 Ų9817%0.16556%0.555CS.*Hα-helixtrans-64.8-33.217200000112.2P98 E185 S192P98-A189 HydrophobicContact CB-CB 3.64Å; P98-A189 HydrophobicContact CG-CB 3.9Å; E185-A189 WeakPolarHBondContact O-CB 3.39Å; E185-A189 PolarHBondContact O-N 2.73Å; A189-S192 PolarHBondContact O-OG 3.38Å
190S69.1Low67.7Low75 Ų75100.4 Ų100.452%0.52459%0.587SS.*Hα-helixtrans-80.7-32.8179.3-56.30000112.7M186 A187 S188M186-S190 WeakPolarHBondContact O-CB 3.42Å; M186-S190 PolarHBondContact O-N 3.34Å; M186-S190 PolarHBondContact O-OG 2.91Å; A187-S190 PolarHBondContact O-N 3.21Å; S188-S190 VanDerWaalsContact C-N 3.28Å; S188-S190 PolarHBondContact O-N 2.89Å
191S60.3Low65Low76 Ų76106.3 Ų106.353%0.53162%0.617SS.*Hα-helixtrans-72.7-31.117964.40000112.8A187 S188 Q193 R194A187-S191 PolarHBondContact O-N 3.17Å; A187-S191 PolarHBondContact O-OG 2.86Å; S188-S191 PolarHBondContact O-OG 3.49Å; S188-S191 VanDerWaalsContact O-OG 3.08Å; S191-Q193 PolarHBondContact O-N 2.83Å; S191-R194 PolarHBondContact O-N 2.85Å; S191-R194 VanDerWaalsContact O-N 3.12Å
192S55.9Low62.5Low90 Ų90113.6 Ų113.663%0.62965%0.648SS**THydrogen-bonded Turntrans-67.4-17.7177.243.50000114S188 A189S188-S192 PolarHBondContact O-N 3.4Å; S188-S192 PolarHBondContact O-OG 3.21Å; A189-S192 PolarHBondContact O-OG 3.38Å
193Q52Low60.1Low174 Ų174114.7 Ų114.781%0.81367%0.667SS**THydrogen-bonded Turntrans-87.4-15.8171.9-75.6-175.2-29.300114.3S191S191-Q193 PolarHBondContact O-N 2.83Å
194R48.1Very low57.6Low234 Ų234110.2 Ų110.288%0.88367%0.673SS**SBendtrans-99.84.5-178.2-77.1-174.6175.1169-0.6114.8S191S191-R194 PolarHBondContact O-N 2.85Å; S191-R194 VanDerWaalsContact O-N 3.12Å
195G44.2Very low55.2Low71 Ų71106.1 Ų106.173%0.73268%0.675SS**SBendtrans-94.75.8-171.700000118
196R47.3Very low52.7Low250 Ų250107.8 Ų107.894%0.94369%0.694SS**SBendtrans-112.510.8-175.6-144-179.7-176.1-178.41.3116.2
197S44.8Very low50.5Low112 Ų112112.9 Ų112.978%0.78371%0.71SS**  trans-112.695.3168.3-163.30000109.7
198G43.8Very low48.3Very low68 Ų68117.4 Ų117.470%0.70173%0.725SS**  trans-65.1151.1164.200000110.9
199S46.2Very low46.3Very low130 Ų130121.1 Ų121.191%0.90974%0.74SS**  trans70.6103.5167-177.10000116.6
200G41.2Very low44.8Very low74 Ų74130 Ų13076%0.76378%0.775SS**  trans169.698163.100000113.9
201N38.6Very low43.5Very low135 Ų135128.7 Ų128.772%0.72277%0.774SS**  trans-54.5170.3173.7-159.840.8000113.8
202F40Very low42.4Very low191 Ų191131.7 Ų131.784%0.83878%0.784SS**  trans84.1117.2176.5-49-77.7000114.4
203G37.7Very low41.7Very low76 Ų76137.4 Ų137.478%0.78479%0.793SS**  cis117.5103.330.700000108.2
204G34.9Very low41.3Very low89 Ų89134.5 Ų134.592%0.91878%0.783SS**  trans66.5115.2158.900000118.6
205G34.6Very low41Very low80 Ų80129.5 Ų129.583%0.82577%0.774SS**  trans169.7106.6164.500000114.1
206S34.9Very low40.8Very low101 Ų101136.2 Ų136.271%0.70679%0.786SS**  trans-60.3177.8164.4-162.20000111.5
207Y39.7Very low40.5Very low199 Ų199128.6 Ų128.678%0.7877%0.771SS**  trans103.597.9168.9-54.8-73.7000117.5
208N39.4Very low40.2Very low154 Ų154127.8 Ų127.882%0.82477%0.766SS**  29.6102119.6-56.4-24.8000117.1
209D40.9Very low39.9Very low145 Ų145131.9 Ų131.978%0.77577%0.772SS**  trans-149.186.8152.7-160.1-1.5000110.6G211D209-G211 PolarHBondContact OD1-N 3.46Å
210F46.5Very low39.6Very low205 Ų205136.5 Ų136.590%0.89978%0.776SS**SBendtrans-105.491.9154.7-92.4-82.5000107.2
211G41.6Very low39.4Very low48 Ų48136.2 Ų136.250%0.49577%0.773SS.*  trans52.777141.300000114.7D209 Y213D209-G211 PolarHBondContact OD1-N 3.46Å; G211-Y213 PolarHBondContact O-N 3.49Å
212N38.1Very low39.7Very low139 Ų139136.2 Ų136.274%0.74378%0.78SS**  trans-61.382.5161.2-170.54.3000110N214N212-N214 VanDerWaalsContact C-N 3.27Å; N212-N214 PolarHBondContact O-N 3.16Å
213Y41.1Very low39.6Very low211 Ų211136.3 Ų136.383%0.82779%0.786SS**  trans-88.371.4163-83-84.6000108.4G211G211-Y213 PolarHBondContact O-N 3.49Å
214N43.2Very low39.9Very low112 Ų112142.7 Ų142.760%0.59979%0.792SS**  trans-139.6133.3165.2-146.5-0.3000110.6N212N212-N214 VanDerWaalsContact C-N 3.27Å; N212-N214 PolarHBondContact O-N 3.16Å
215N42.4Very low40.1Very low130 Ų130142.4 Ų142.470%0.69579%0.788SS**  trans65.994.8172.8-79.1-52.8000118.8
216Q39.4Very low40.6Very low211 Ų211142.2 Ų142.299%0.98679%0.787SS**  trans-133.885.6132.1-95.9178.2-1900108.6
217S42.6Very low40.7Very low90 Ų90145 Ų14563%0.62979%0.794SS**  trans-111.3128.4156.6174.80000106.9
218S37.4Very low40.9Very low95 Ų95145.3 Ų145.366%0.66480%0.8SS**  trans66.1132.3150.657.20000120.8
219N38.4Very low41.1Very low154 Ų154141.5 Ų141.582%0.82480%0.797SS**  trans97.7101.9144.2-67.75.5000120.4
220F38.5Very low41.1Very low228 Ų228137.7 Ų137.7100%179%0.792SS**  trans-14.1127133.6-98.7-107.4000115.5
221G38Very low40.9Very low68 Ų68140.2 Ų140.270%0.70180%0.795SS**  trans166.4150.5164.400000113.7
222P45.1Very low40.9Very low134 Ų134143.3 Ų143.387%0.8781%0.81SS**  -106.2169.9-126.137.8-34.3000117.2
223M37.8Very low41.4Very low194 Ų194142.3 Ų142.396%0.95681%0.813SS**  trans-45.7138.9177.6-63.3175.8146.800115.3
224K44.1Very low41.4Very low210 Ų210134.7 Ų134.791%0.91380%0.799SS**  trans-126.7116.1166.2-143.2-179.2-175-176.60109.5
225G38.1Very low41.4Very low82 Ų82135.1 Ų135.185%0.84581%0.808SS**  trans-72.2152.4175.900000113
226G44.4Very low41.4Very low77 Ų77138.9 Ų138.979%0.79481%0.814SS**  trans-140.9115.5171.800000109.7
227N37.8Very low41.5Very low159 Ų159133 Ų13385%0.8581%0.81SS**  trans-99.8122.1-178.1-172.368.6000109.1
228F43.9Very low41.4Very low206 Ų206132.5 Ų132.590%0.90482%0.819SS**  trans-132.3108.3163.8-81.3-88.8000105
229G42.9Very low41.6Very low74 Ų74132 Ų13276%0.76383%0.829SS**  68.6120.988.500000110.3
230G42Very low41.6Very low65 Ų65127.3 Ų127.367%0.6782%0.817SS**  cis166.3168.15.800000107.2
231R41.2Very low41.7Very low257 Ų257124.7 Ų124.797%0.9781%0.808SS**  trans80.3144.9173.3-47.2173.1-178-157.4-1.2115.8
232S42.9Very low41.8Very low114 Ų114130.4 Ų130.480%0.79781%0.81SS**  cis175.6147.8-30.3-174.40000104.6
233S48.9Very low41.7Very low117 Ų117134 Ų13482%0.81881%0.812SS**  trans74.7125.8169.9-173.90000117
234G40.1Very low41.9Very low51 Ų51129.5 Ų129.553%0.52681%0.805SS.*  cis180165.73.300000109.1
235P42.8Very low41.9Very low121 Ų121129.2 Ų129.279%0.78680%0.804SS**  trans-119.5140.9-166.537.5-23.4000115.6
236Y42.2Very low42.5Very low209 Ų209130.9 Ų130.982%0.8280%0.8SS**  trans-159.8113.7163.80.4-94.2000106.7
237G42.6Very low42.6Very low88 Ų88138.3 Ų138.391%0.90780%0.804SS**  64.8127.384.900000111.2
238G41.2Very low43Very low79 Ų79136.7 Ų136.781%0.81480%0.795SS**  cis162.6145.74.600000107.4
239G40.3Very low43.2Very low85 Ų85135.6 Ų135.688%0.87679%0.793SS**  trans80.9131.6147.300000123.3
240G39.3Very low43.2Very low56 Ų56135.5 Ų135.558%0.57779%0.792SS**  trans78.4110.3146.400000117.8
241Q40.3Very low43.3Very low173 Ų173135.2 Ų135.281%0.80879%0.789SS**  59.4150.872.9-62.6-171.134.500116.4
242Y40.1Very low43.5Very low188 Ų188133.6 Ų133.674%0.73778%0.784SS**  trans81.7109168.27.3-81.7000122.2
243F42.1Very low43.5Very low210 Ų210132 Ų13292%0.92179%0.786SS**  trans25.1127135.7-74.1-94.6000121.9
244A42.9Very low43.2Very low99 Ų99130.3 Ų130.382%0.81879%0.787SS**  156.9134.4112.700000112.2
245K43.7Very low43.3Very low203 Ų203133.3 Ų133.388%0.88380%0.8SS**  trans-68161.2169.1-64.5-179171.4177.60110.7
246P50.8Low43.3Very low117 Ų117133 Ų13376%0.7680%0.8SS**  -153.8163.391.237.4-18.6000116.6
247R46.1Very low43.2Very low234 Ų234128.6 Ų128.688%0.88380%0.8SS**  trans50.6152.9146.1-84.6-177.9147.1168.8-3.9119.2
248N47.7Very low43.5Very low124 Ų124129.7 Ų129.766%0.66379%0.794SS**  cis168.8168.1-4.7179.420.3000104.8
249Q47.2Very low43.6Very low184 Ų184130.9 Ų130.986%0.8679%0.79SS**  trans85.5127.9175.4-53.5-178.343.600114.7
250G43.5Very low44Very low72 Ų72131.2 Ų131.274%0.74278%0.779SS**  cis172.5175.42.800000108.2
251G44.5Very low44.4Very low58 Ų58137.9 Ų137.960%0.59879%0.788SS**  trans11472.3161.300000119.3
252Y44.1Very low44.9Very low223 Ų223133.3 Ų133.388%0.87579%0.787SS**  trans-15.7142.3130.720.7-91.9000114.9
253G43.1Very low45.5Very low80 Ų80130.1 Ų130.183%0.82579%0.793SS**  cis162.7174.51300000107.5
254G42Very low46.4Very low82 Ų82123.9 Ų123.985%0.84579%0.788SS**  trans122.3106.9156.700000118.8
255S42Very low47.2Very low115 Ų115129.3 Ų129.380%0.80479%0.787SS**  trans-30.6146.2161.6-178.10000118.6
256S42.9Very low47.7Very low113 Ų113129.6 Ų129.679%0.7978%0.783SS**  -179128.2122.335.50000113.1
257S41.7Very low48.4Very low117 Ų117137.8 Ų137.882%0.81881%0.807SS**  trans-87130.4161.946.50000110
258S47.6Very low48.5Very low112 Ų112133 Ų13378%0.78380%0.803SS**  trans-159.1125160.355.70000112.3
259S43.9Very low48.5Very low104 Ų104133.4 Ų133.473%0.72781%0.81SS**  trans-48.2162155.631.50000112.8
260S48Very low48.6Very low92 Ų92130.6 Ų130.664%0.64381%0.808SS**  trans-178.158.9-155.6-137.90000114.8
261Y49.2Very low48.9Very low195 Ų195134.1 Ų134.177%0.76581%0.811SS**  trans-31.6153.9162.226-84.8000119.7
262G50.5Low49.2Very low77 Ų77138.8 Ų138.879%0.79483%0.825SS**  trans124.6144152.800000113.4
263S52Low49.5Very low121 Ų121133.2 Ų133.285%0.84682%0.821SS**  cis178.1139.7-2.91660000104.4
264G60Low50Low80 Ų80137 Ų13783%0.82582%0.821SS**  trans178.588.7172.700000113.4
265R60.6Low50.6Low213 Ų213141.2 Ų141.280%0.80482%0.819SS**  trans-78.5146.6-173.7-73.9179.2-171.9173.33.1114
266R55.2Low51.3Low208 Ų208143.4 Ų143.479%0.78582%0.821SS**  49120.7129.3-62.3178.2175177.5-3.7119
267F63.8Low52Low289 Ų289146.2 Ų146.2100%1.26882%0.823SS**  -133.8085.3-82.7-82.4000109.4

Retrieved 267 of 267 residues in 49.4 ms (Link to these results)

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