A0A077ZKP3_TRITR Loading...

Membrane associated progesterone receptor

AlphaFold DB , UniProt , Accession A0A077ZKP3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 178 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M46.5Very low59.8Low215 Ų215144.1 Ų144.1100%1.05975%0.753SS**  089.10-162.8-171.7-68.600107.3Y3M1-Y3 HydrophobicContact CG-CD2 4.43Å; M1-Y3 HydrophobicContact CG-CE2 4.1Å
2L48.6Very low61.7Low168 Ų168143.8 Ų143.888%0.8875%0.748SS**  trans-133.199.3173.2-73.9175.3000105.7N4L2-N4 PolarHBondContact O-N 2.94Å
3Y53.4Low63.2Low206 Ų206143.5 Ų143.581%0.80874%0.74SS**  trans-69.8111.7176.1-81.2-92.5000107.7M1 F5M1-Y3 HydrophobicContact CG-CD2 4.43Å; M1-Y3 HydrophobicContact CG-CE2 4.1Å; Y3-F5 VanDerWaalsContact C-N 3.34Å; Y3-F5 PolarHBondContact O-N 3.24Å
4N50.5Low65Low163 Ų163146.1 Ų146.187%0.87274%0.736SS**  trans-62.199.5166-79.2-71.1000107.7L2 G6L2-N4 PolarHBondContact O-N 2.94Å; N4-G6 PolarHBondContact O-N 3.02Å
5F56.5Low66.6Low161 Ų161140.4 Ų140.471%0.70671%0.711SS**  trans-76.672.1174.7-144.9-88.7000108Y3 F7Y3-F5 VanDerWaalsContact C-N 3.34Å; Y3-F5 PolarHBondContact O-N 3.24Å; F5-F7 VanDerWaalsContact C-N 3.35Å; F5-F7 HydrophobicContact CD1-CD1 4.3Å; F5-F7 AromaticContact CD1-CD2 3.87Å; F5-F7 HydrophobicContact CD1-CD2 3.87Å; F5-F7 AromaticContact CD1-CE1 3.93Å; F5-F7 HydrophobicContact CD1-CE1 3.93Å; F5-F7 AromaticContact CD1-CE2 3.46Å; F5-F7 HydrophobicContact CD1-CE2 3.46Å; F5-F7 VanDerWaalsContact CD1-CE2 3.46Å; F5-F7 HydrophobicContact CD1-CG 4.28Å; F5-F7 AromaticContact CD1-CZ 3.49Å; F5-F7 HydrophobicContact CD1-CZ 3.49Å; F5-F7 VanDerWaalsContact CD1-CZ 3.49Å; F5-F7 HydrophobicContact CE1-CD1 4.16Å; F5-F7 HydrophobicContact CE1-CD2 4.49Å; F5-F7 AromaticContact CE1-CE1 3.57Å; F5-F7 HydrophobicContact CE1-CE1 3.57Å; F5-F7 AromaticContact CE1-CE2 3.95Å; F5-F7 HydrophobicContact CE1-CE2 3.95Å; F5-F7 AromaticContact CE1-CZ 3.45Å; F5-F7 HydrophobicContact CE1-CZ 3.45Å; F5-F7 VanDerWaalsContact CE1-CZ 3.45Å; F5-F7 PolarHBondContact O-N 2.9Å
6G57.3Low68.1Low68 Ų68137.4 Ų137.470%0.70170%0.702SS**  trans-71.791.9172.200000108.5N4 P8N4-G6 PolarHBondContact O-N 3.02Å; G6-P8 WeakPolarHBondContact O-CD 3.44Å
7F59.5Low69.5Low162 Ų162133.1 Ų133.171%0.71169%0.686SS**  trans-55.9122.7169.8-75.4-85.6000108.2F5 S9F5-F7 VanDerWaalsContact C-N 3.35Å; F5-F7 HydrophobicContact CD1-CD1 4.3Å; F5-F7 AromaticContact CD1-CD2 3.87Å; F5-F7 HydrophobicContact CD1-CD2 3.87Å; F5-F7 AromaticContact CD1-CE1 3.93Å; F5-F7 HydrophobicContact CD1-CE1 3.93Å; F5-F7 AromaticContact CD1-CE2 3.46Å; F5-F7 HydrophobicContact CD1-CE2 3.46Å; F5-F7 VanDerWaalsContact CD1-CE2 3.46Å; F5-F7 HydrophobicContact CD1-CG 4.28Å; F5-F7 AromaticContact CD1-CZ 3.49Å; F5-F7 HydrophobicContact CD1-CZ 3.49Å; F5-F7 VanDerWaalsContact CD1-CZ 3.49Å; F5-F7 HydrophobicContact CE1-CD1 4.16Å; F5-F7 HydrophobicContact CE1-CD2 4.49Å; F5-F7 AromaticContact CE1-CE1 3.57Å; F5-F7 HydrophobicContact CE1-CE1 3.57Å; F5-F7 AromaticContact CE1-CE2 3.95Å; F5-F7 HydrophobicContact CE1-CE2 3.95Å; F5-F7 AromaticContact CE1-CZ 3.45Å; F5-F7 HydrophobicContact CE1-CZ 3.45Å; F5-F7 VanDerWaalsContact CE1-CZ 3.45Å; F5-F7 PolarHBondContact O-N 2.9Å; F7-S9 VanDerWaalsContact C-N 3.34Å; F7-S9 PolarHBondContact O-N 2.85Å
8P62.8Low70.7Confident110 Ų110131.7 Ų131.771%0.71468%0.679SS**  trans-68.297.9176.726.9-30.5000107.5G6 G10 W11G6-P8 WeakPolarHBondContact O-CD 3.44Å; P8-G10 PolarHBondContact O-N 3.38Å; P8-W11 PolarHBondContact O-N 2.92Å
9S70.5Confident71.9Confident94 Ų94131.3 Ų131.366%0.65767%0.672SS**Hα-helixtrans-53.6-17.5-175.749.10000114.4F7 W11 M12 H13F7-S9 VanDerWaalsContact C-N 3.34Å; F7-S9 PolarHBondContact O-N 2.85Å; S9-W11 PolarHBondContact O-N 3.43Å; S9-M12 PolarHBondContact O-N 3.48Å; S9-H13 PolarHBondContact O-N 3.17Å
10G73.8Confident73Confident42 Ų42126.9 Ų126.943%0.43366%0.656SS.*Hα-helixtrans-60.4-42.4179.500000114.5P8 M12 H13 W14P8-G10 PolarHBondContact O-N 3.38Å; G10-M12 PolarHBondContact O-N 3.5Å; G10-H13 PolarHBondContact O-N 3.21Å; G10-W14 PolarHBondContact O-N 3.37Å
11W78.8Confident74Confident196 Ų196125.5 Ų125.574%0.74265%0.653SS**Hα-helixtrans-70.8-34.8-176.2-172.671.9000112.3P8 S9 H13 W14 V15P8-W11 PolarHBondContact O-N 2.92Å; S9-W11 PolarHBondContact O-N 3.43Å; W11-H13 VanDerWaalsContact C-N 3.3Å; W11-H13 PolarHBondContact O-N 3.48Å; W11-W14 PolarHBondContact O-N 3.38Å; W11-V15 HydrophobicContact CD2-CG2 3.75Å; W11-V15 HydrophobicContact CE3-CG2 3.96Å; W11-V15 HydrophobicContact CG-CG2 4.45Å; W11-V15 HydrophobicContact CH2-CG2 3.77Å; W11-V15 HydrophobicContact CZ2-CG2 3.54Å; W11-V15 HydrophobicContact CZ3-CG2 3.97Å; W11-V15 WeakPolarHBondContact O-CG2 3.38Å; W11-V15 PolarHBondContact O-N 3.42Å
12M81.7Confident76.2Confident141 Ų141120.1 Ų120.170%0.69562%0.624SS**Hα-helixtrans-65.5-37.5178-147.4163.894.300111.2S9 G10 V15 V16S9-M12 PolarHBondContact O-N 3.48Å; G10-M12 PolarHBondContact O-N 3.5Å; M12-V15 PolarHBondContact O-N 2.93Å; M12-V16 WeakPolarHBondContact O-CB 3.26Å; M12-V16 VanDerWaalsContact O-CG2 3.26Å; M12-V16 WeakPolarHBondContact O-CG2 3.49Å; M12-V16 PolarHBondContact O-N 3.32Å
13H82.2Confident78.4Confident139 Ų139116.4 Ų116.464%0.64460%0.604SS**Hα-helixtrans-60.9-45.1171.7-116.2-86.4000112S9 G10 W11 V16 C17S9-H13 PolarHBondContact O-N 3.17Å; G10-H13 PolarHBondContact O-N 3.21Å; W11-H13 VanDerWaalsContact C-N 3.3Å; W11-H13 PolarHBondContact O-N 3.48Å; H13-V16 PolarHBondContact O-N 2.88Å; H13-C17 WeakPolarHBondContact O-CB 3.38Å; H13-C17 PolarHBondContact O-N 2.88Å; H13-C17 PolarHBondContact O-SG 3.4Å
14W88Confident80.3Confident181 Ų181112 Ų11269%0.68659%0.593SS**Hα-helixtrans-63.2-42.8177-86.695.7000112.8G10 W11 C17 I18G10-W14 PolarHBondContact O-N 3.37Å; W11-W14 PolarHBondContact O-N 3.38Å; W14-C17 PolarHBondContact O-N 3.23Å; W14-I18 VanDerWaalsContact O-CG1 3.29Å; W14-I18 WeakPolarHBondContact O-CG1 3.37Å; W14-I18 PolarHBondContact O-N 2.99Å
15V89Confident82.2Confident60 Ų60110.7 Ų110.736%0.36458%0.577SS.*Hα-helixtrans-63.3-43.8177.3173.90000111.1W11 M12 I18 F19W11-V15 HydrophobicContact CD2-CG2 3.75Å; W11-V15 HydrophobicContact CE3-CG2 3.96Å; W11-V15 HydrophobicContact CG-CG2 4.45Å; W11-V15 HydrophobicContact CH2-CG2 3.77Å; W11-V15 HydrophobicContact CZ2-CG2 3.54Å; W11-V15 HydrophobicContact CZ3-CG2 3.97Å; W11-V15 WeakPolarHBondContact O-CG2 3.38Å; W11-V15 PolarHBondContact O-N 3.42Å; M12-V15 PolarHBondContact O-N 2.93Å; V15-I18 PolarHBondContact O-N 2.96Å; V15-F19 WeakPolarHBondContact O-CB 3.45Å; V15-F19 PolarHBondContact O-N 3.4Å
16V90.3Very high83.8Confident92 Ų92108.1 Ų108.156%0.55857%0.566SS**Hα-helixtrans-63.4-42.7175.7172.50000111M12 H13 F19 A20M12-V16 WeakPolarHBondContact O-CB 3.26Å; M12-V16 VanDerWaalsContact O-CG2 3.26Å; M12-V16 WeakPolarHBondContact O-CG2 3.49Å; M12-V16 PolarHBondContact O-N 3.32Å; H13-V16 PolarHBondContact O-N 2.88Å; V16-F19 PolarHBondContact O-N 3.24Å; V16-A20 WeakPolarHBondContact O-CB 3.33Å; V16-A20 PolarHBondContact O-N 3.38Å
17C92.3Very high85.3Confident64 Ų64109.9 Ų109.943%0.43256%0.558SS.*Hα-helixtrans-61.5-45.6175.4-740000112.3H13 W14 A20 V21H13-C17 WeakPolarHBondContact O-CB 3.38Å; H13-C17 PolarHBondContact O-N 2.88Å; H13-C17 PolarHBondContact O-SG 3.4Å; W14-C17 PolarHBondContact O-N 3.23Å; C17-A20 PolarHBondContact O-N 2.89Å; C17-V21 VanDerWaalsContact O-CG2 3.32Å; C17-V21 WeakPolarHBondContact O-CG2 3.33Å; C17-V21 PolarHBondContact O-N 2.87Å
18I91.8Very high86.6Confident108 Ų108104.5 Ų104.555%0.55454%0.544SS*.Hα-helixtrans-63.2-43.5178.1-70.3167.2000110.6W14 V15 V21 F22W14-I18 VanDerWaalsContact O-CG1 3.29Å; W14-I18 WeakPolarHBondContact O-CG1 3.37Å; W14-I18 PolarHBondContact O-N 2.99Å; V15-I18 PolarHBondContact O-N 2.96Å; I18-V21 PolarHBondContact O-N 3.33Å; I18-F22 WeakPolarHBondContact O-CB 3.48Å; I18-F22 PolarHBondContact O-N 2.81Å
19F93.2Very high87.6Confident125 Ų125101 Ų10155%0.54852%0.52SS..Hα-helixtrans-65.5-40.7177.5-166.5-103.6000111.5V15 V16 F22 L23V15-F19 WeakPolarHBondContact O-CB 3.45Å; V15-F19 PolarHBondContact O-N 3.4Å; V16-F19 PolarHBondContact O-N 3.24Å; F19-F22 WeakPolarHBondContact O-CB 3.29Å; F19-F22 PolarHBondContact O-N 3.41Å; F19-L23 HydrophobicContact CD1-CD1 3.8Å; F19-L23 HydrophobicContact CD1-CG 4.02Å; F19-L23 HydrophobicContact CE1-CD1 3.58Å; F19-L23 HydrophobicContact CE1-CD2 4.09Å; F19-L23 HydrophobicContact CE1-CG 3.85Å; F19-L23 HydrophobicContact CZ-CD1 4.47Å; F19-L23 HydrophobicContact CZ-CD2 4.19Å; F19-L23 HydrophobicContact CZ-CG 4.37Å; F19-L23 WeakPolarHBondContact O-CG 3.47Å; F19-L23 PolarHBondContact O-N 2.86Å
20A93.1Very high88.1Confident43 Ų43100.9 Ų100.936%0.35552%0.515SS..Hα-helixtrans-62.4-44.7174.300000112V16 C17 F22 L23 I24V16-A20 WeakPolarHBondContact O-CB 3.33Å; V16-A20 PolarHBondContact O-N 3.38Å; C17-A20 PolarHBondContact O-N 2.89Å; A20-F22 VanDerWaalsContact C-N 3.31Å; A20-F22 PolarHBondContact O-N 2.82Å; A20-L23 PolarHBondContact O-N 3.24Å; A20-I24 WeakPolarHBondContact O-CB 3.32Å; A20-I24 VanDerWaalsContact O-CG1 3.25Å; A20-I24 WeakPolarHBondContact O-CG1 3.26Å; A20-I24 PolarHBondContact O-N 3.44Å
21V93.5Very high88.4Confident98 Ų98103.1 Ų103.159%0.59452%0.516SS*.Hα-helixtrans-61.8-39.8173.9171.30000111C17 I18 I24 Y25C17-V21 VanDerWaalsContact O-CG2 3.32Å; C17-V21 WeakPolarHBondContact O-CG2 3.33Å; C17-V21 PolarHBondContact O-N 2.87Å; I18-V21 PolarHBondContact O-N 3.33Å; V21-I24 PolarHBondContact O-N 2.78Å; V21-Y25 VanDerWaalsContact O-CB 3.32Å; V21-Y25 WeakPolarHBondContact O-CB 3.2Å; V21-Y25 PolarHBondContact O-N 3.4Å
22F94.1Very high88.2Confident102 Ų10299.9 Ų99.945%0.44750%0.504SS..Hα-helixtrans-65.5-40.7175.3179.7-98.4000112.3I18 F19 A20 Y25 K26I18-F22 WeakPolarHBondContact O-CB 3.48Å; I18-F22 PolarHBondContact O-N 2.81Å; F19-F22 WeakPolarHBondContact O-CB 3.29Å; F19-F22 PolarHBondContact O-N 3.41Å; A20-F22 VanDerWaalsContact C-N 3.31Å; A20-F22 PolarHBondContact O-N 2.82Å; F22-Y25 PolarHBondContact O-N 2.77Å; F22-K26 HydrophobicContact CD1-CG 4.05Å; F22-K26 HydrophobicContact CE1-CD 4.39Å; F22-K26 HydrophobicContact CE1-CG 3.74Å; F22-K26 HydrophobicContact CE2-CG 4.32Å; F22-K26 HydrophobicContact CG-CG 4.49Å; F22-K26 HydrophobicContact CZ-CD 4.17Å; F22-K26 HydrophobicContact CZ-CG 3.91Å; F22-K26 WeakPolarHBondContact O-CB 3.25Å; F22-K26 VanDerWaalsContact O-CG 3.26Å; F22-K26 WeakPolarHBondContact O-CG 3.33Å; F22-K26 PolarHBondContact O-N 3.34Å
23L94.1Very high87.5Confident89 Ų89100.6 Ų100.647%0.46650%0.503SS..Hα-helixtrans-65.5-42.3174.2-71.2-177000111.4F19 A20 Y25 K26 L27F19-L23 HydrophobicContact CD1-CD1 3.8Å; F19-L23 HydrophobicContact CD1-CG 4.02Å; F19-L23 HydrophobicContact CE1-CD1 3.58Å; F19-L23 HydrophobicContact CE1-CD2 4.09Å; F19-L23 HydrophobicContact CE1-CG 3.85Å; F19-L23 HydrophobicContact CZ-CD1 4.47Å; F19-L23 HydrophobicContact CZ-CD2 4.19Å; F19-L23 HydrophobicContact CZ-CG 4.37Å; F19-L23 WeakPolarHBondContact O-CG 3.47Å; F19-L23 PolarHBondContact O-N 2.86Å; A20-L23 PolarHBondContact O-N 3.24Å; L23-Y25 VanDerWaalsContact C-N 3.35Å; L23-K26 PolarHBondContact O-N 2.78Å; L23-L27 WeakPolarHBondContact O-CB 3.25Å; L23-L27 PolarHBondContact O-N 3.35Å
24I93.5Very high86.6Confident113 Ų113102.2 Ų102.258%0.57951%0.508SS*.Hα-helixtrans-62.3-43.4173.4-68.5164.4000110A20 V21 L27 A28A20-I24 WeakPolarHBondContact O-CB 3.32Å; A20-I24 VanDerWaalsContact O-CG1 3.25Å; A20-I24 WeakPolarHBondContact O-CG1 3.26Å; A20-I24 PolarHBondContact O-N 3.44Å; V21-I24 PolarHBondContact O-N 2.78Å; I24-L27 PolarHBondContact O-N 2.73Å; I24-A28 WeakPolarHBondContact O-CB 3.32Å; I24-A28 PolarHBondContact O-N 2.77Å
25Y90.7Very high85.3Confident137 Ų137100.5 Ų100.554%0.53751%0.506SS..Hα-helixtrans-64.1-43.8176.2174.8-95.7000111.4V21 F22 L23 A28 N29V21-Y25 VanDerWaalsContact O-CB 3.32Å; V21-Y25 WeakPolarHBondContact O-CB 3.2Å; V21-Y25 PolarHBondContact O-N 3.4Å; F22-Y25 PolarHBondContact O-N 2.77Å; L23-Y25 VanDerWaalsContact C-N 3.35Å; Y25-A28 PolarHBondContact O-N 2.75Å; Y25-N29 WeakPolarHBondContact O-CB 3.2Å; Y25-N29 PolarHBondContact O-N 2.84Å
26K89.7Confident83.5Confident106 Ų106107.1 Ų107.146%0.46152%0.524SS..Hα-helixtrans-64.4-43.5176.6-77-74.5-172.8172.10111.1F22 L23 N29 V30F22-K26 HydrophobicContact CD1-CG 4.05Å; F22-K26 HydrophobicContact CE1-CD 4.39Å; F22-K26 HydrophobicContact CE1-CG 3.74Å; F22-K26 HydrophobicContact CE2-CG 4.32Å; F22-K26 HydrophobicContact CG-CG 4.49Å; F22-K26 HydrophobicContact CZ-CD 4.17Å; F22-K26 HydrophobicContact CZ-CG 3.91Å; F22-K26 WeakPolarHBondContact O-CB 3.25Å; F22-K26 VanDerWaalsContact O-CG 3.26Å; F22-K26 WeakPolarHBondContact O-CG 3.33Å; F22-K26 PolarHBondContact O-N 3.34Å; L23-K26 PolarHBondContact O-N 2.78Å; K26-N29 PolarHBondContact O-N 3.26Å; K26-V30 WeakPolarHBondContact O-CB 3.47Å; K26-V30 VanDerWaalsContact O-CG2 3.25Å; K26-V30 WeakPolarHBondContact O-CG2 3.22Å; K26-V30 PolarHBondContact O-N 3.42Å
27L89.3Confident81.7Confident105 Ų105108.2 Ų108.255%0.5552%0.523SS..Hα-helixtrans-63.2-48.1175-175.965.4000110.3L23 I24 N29 V30 L31L23-L27 WeakPolarHBondContact O-CB 3.25Å; L23-L27 PolarHBondContact O-N 3.35Å; I24-L27 PolarHBondContact O-N 2.73Å; L27-N29 VanDerWaalsContact C-N 3.26Å; L27-N29 PolarHBondContact O-N 3.42Å; L27-V30 PolarHBondContact O-N 3.39Å; L27-L31 HydrophobicContact CD1-CG 4.45Å; L27-L31 HydrophobicContact CG-CD1 3.99Å; L27-L31 HydrophobicContact CG-CG 4.36Å; L27-L31 VanDerWaalsContact O-CB 3.31Å; L27-L31 WeakPolarHBondContact O-CB 3.31Å; L27-L31 VanDerWaalsContact O-CG 3.22Å; L27-L31 WeakPolarHBondContact O-CG 3.06Å; L27-L31 PolarHBondContact O-N 3.09Å
28A87.1Confident79.2Confident49 Ų49111 Ų11141%0.40553%0.528SS..Hα-helixtrans-60.2-35.4174.800000111.8I24 Y25 R32I24-A28 WeakPolarHBondContact O-CB 3.32Å; I24-A28 PolarHBondContact O-N 2.77Å; Y25-A28 PolarHBondContact O-N 2.75Å; A28-R32 WeakPolarHBondContact O-CA 3.13Å; A28-R32 WeakPolarHBondContact O-CB 3.4Å; A28-R32 PolarHBondContact O-N 3.32Å
29N83.8Confident77.1Confident38 Ų38110 Ų11020%0.20354%0.537CS..Hα-helixtrans-77.8-30.7178.4-14812.6000111.9Y25 K26 L27 R32 K33Y25-N29 WeakPolarHBondContact O-CB 3.2Å; Y25-N29 PolarHBondContact O-N 2.84Å; K26-N29 PolarHBondContact O-N 3.26Å; L27-N29 VanDerWaalsContact C-N 3.26Å; L27-N29 PolarHBondContact O-N 3.42Å; N29-R32 PolarHBondContact OD1-NE 3.12Å; N29-R32 VanDerWaalsContact OD1-NE 3.09Å; N29-R32 PolarHBondContact OD1-NH2 2.7Å; N29-K33 WeakPolarHBondContact O-CG 3.37Å; N29-K33 PolarHBondContact O-N 2.9Å
30V81Confident74.9Confident91 Ų91109 Ų10955%0.55254%0.537SS*.Hα-helixtrans-68.5-49.9169.6168.80000110K26 L27 R32 K33 F34K26-V30 WeakPolarHBondContact O-CB 3.47Å; K26-V30 VanDerWaalsContact O-CG2 3.25Å; K26-V30 WeakPolarHBondContact O-CG2 3.22Å; K26-V30 PolarHBondContact O-N 3.42Å; L27-V30 PolarHBondContact O-N 3.39Å; V30-R32 VanDerWaalsContact C-N 3.27Å; V30-R32 PolarHBondContact O-N 3.18Å; V30-K33 PolarHBondContact O-N 2.91Å; V30-K33 VanDerWaalsContact O-N 3.12Å; V30-F34 PolarHBondContact O-N 2.97Å
31L79.1Confident72.9Confident89 Ų89110.1 Ų110.147%0.46655%0.552SS.*Hα-helixtrans-57.7-42.2172.9-70.5172.8000110.4L27 F34 F35L27-L31 HydrophobicContact CD1-CG 4.45Å; L27-L31 HydrophobicContact CG-CD1 3.99Å; L27-L31 HydrophobicContact CG-CG 4.36Å; L27-L31 VanDerWaalsContact O-CB 3.31Å; L27-L31 WeakPolarHBondContact O-CB 3.31Å; L27-L31 VanDerWaalsContact O-CG 3.22Å; L27-L31 WeakPolarHBondContact O-CG 3.06Å; L27-L31 PolarHBondContact O-N 3.09Å; L31-F34 CarbonylContact O-C 3.53Å; L31-F34 PolarHBondContact O-N 2.74Å; L31-F35 VanDerWaalsContact O-CB 3.3Å; L31-F35 WeakPolarHBondContact O-CB 3.24Å; L31-F35 PolarHBondContact O-N 3.2Å
32R73.8Confident70.9Confident128 Ų128113.4 Ų113.448%0.48356%0.561SS.*Hα-helixtrans-61.9-45.5175.1-169.9178.370.1124.8-0.2110.5A28 N29 V30 F34 F35 W36A28-R32 WeakPolarHBondContact O-CA 3.13Å; A28-R32 WeakPolarHBondContact O-CB 3.4Å; A28-R32 PolarHBondContact O-N 3.32Å; N29-R32 PolarHBondContact OD1-NE 3.12Å; N29-R32 VanDerWaalsContact OD1-NE 3.09Å; N29-R32 PolarHBondContact OD1-NH2 2.7Å; V30-R32 VanDerWaalsContact C-N 3.27Å; V30-R32 PolarHBondContact O-N 3.18Å; R32-F34 VanDerWaalsContact C-N 3.28Å; R32-F34 PolarHBondContact O-N 3.43Å; R32-F35 PolarHBondContact O-N 3.41Å; R32-W36 HydrophobicContact CG-CG 3.89Å; R32-W36 WeakPolarHBondContact O-CA 3.41Å; R32-W36 WeakPolarHBondContact O-CB 3.04Å; R32-W36 PolarHBondContact O-N 3.15Å
33K68.1Low68.9Low156 Ų156111.6 Ų111.668%0.67856%0.561SS**Hα-helixtrans-62.5-36.9175.3-78.9-175.2177.2-1670112.5N29 V30 H37N29-K33 WeakPolarHBondContact O-CG 3.37Å; N29-K33 PolarHBondContact O-N 2.9Å; V30-K33 PolarHBondContact O-N 2.91Å; V30-K33 VanDerWaalsContact O-N 3.12Å; K33-H37 PolarHBondContact O-N 3.02Å; K33-H37 VanDerWaalsContact O-N 3.15Å
34F63.5Low67.2Low172 Ų172109 Ų10975%0.75455%0.55SS**Hα-helixtrans-71.5-42.4178.4-138.5-92.6000111.9V30 L31 R32 H37V30-F34 PolarHBondContact O-N 2.97Å; L31-F34 CarbonylContact O-C 3.53Å; L31-F34 PolarHBondContact O-N 2.74Å; R32-F34 VanDerWaalsContact C-N 3.28Å; R32-F34 PolarHBondContact O-N 3.43Å; F34-H37 PolarHBondContact O-N 3.48Å
35F60.9Low66Low145 Ų145112.6 Ų112.664%0.63657%0.565SS**Hα-helixtrans-76.7-31.2176.7-100.1-93.8000113.4L31 R32 K38L31-F35 VanDerWaalsContact O-CB 3.3Å; L31-F35 WeakPolarHBondContact O-CB 3.24Å; L31-F35 PolarHBondContact O-N 3.2Å; R32-F35 PolarHBondContact O-N 3.41Å; F35-K38 WeakPolarHBondContact O-CB 3.3Å; F35-K38 PolarHBondContact O-N 3.07Å; F35-K38 VanDerWaalsContact O-N 3.11Å
36W50Low65.6Low199 Ų199108.4 Ų108.475%0.75455%0.551SS**THydrogen-bonded Turntrans-83.3-0174-76.661.2000112.5R32 K38R32-W36 HydrophobicContact CG-CG 3.89Å; R32-W36 WeakPolarHBondContact O-CA 3.41Å; R32-W36 WeakPolarHBondContact O-CB 3.04Å; R32-W36 PolarHBondContact O-N 3.15Å; W36-K38 PolarHBondContact O-N 2.73Å
37H52.8Low65.5Low116 Ų116107.7 Ų107.754%0.53756%0.558SS.*THydrogen-bonded Turntrans-8016.5156.2-146.947.6000111.6K33 F34 A39 D40K33-H37 PolarHBondContact O-N 3.02Å; K33-H37 VanDerWaalsContact O-N 3.15Å; F34-H37 PolarHBondContact O-N 3.48Å; H37-A39 PolarHBondContact O-N 2.67Å; H37-D40 IonicContact CE1-OD1 3.85Å; H37-D40 PolarHBondContact CE1-OD1 3.39Å; H37-D40 IonicContact CE1-OD2 3.89Å; H37-D40 IonicContact ND1-OD1 3.46Å
38K40.9Very low65.4Low121 Ų121108.6 Ų108.653%0.52657%0.57SS.*  trans-66.7112.8157.6-173168.2-174172.50107.3F35 W36 Q142 L143F35-K38 WeakPolarHBondContact O-CB 3.3Å; F35-K38 PolarHBondContact O-N 3.07Å; F35-K38 VanDerWaalsContact O-N 3.11Å; W36-K38 PolarHBondContact O-N 2.73Å; K38-Q142 PolarHBondContact NZ-O 2.88Å; K38-L143 HydrophobicContact CD-CD2 4.49Å
39A46.9Very low65.6Low89 Ų89107.6 Ų107.674%0.73656%0.558SS**  trans93.434.6149.100000121.1H37 G41H37-A39 PolarHBondContact O-N 2.67Å; A39-G41 PolarHBondContact O-N 3.04Å
40D46.5Very low65.9Low104 Ų104111 Ų11156%0.55657%0.571SS**  trans-87.792.7142.444-6.6000108.4H37 E42H37-D40 IonicContact CE1-OD1 3.85Å; H37-D40 PolarHBondContact CE1-OD1 3.39Å; H37-D40 IonicContact CE1-OD2 3.89Å; H37-D40 IonicContact ND1-OD1 3.46Å; D40-E42 PolarHBondContact O-N 3.15Å
41G52.3Low66.6Low66 Ų66110.9 Ų110.968%0.6856%0.56SS**  trans-68.553.4-176.700000114.2A39 S43A39-G41 PolarHBondContact O-N 3.04Å; G41-S43 VanDerWaalsContact C-N 3.34Å
42E51Low67.3Low167 Ų167109 Ų10978%0.7855%0.549SS*.  trans-78.9-18.3177.7-163.6162.2-168.200112.5D40D40-E42 PolarHBondContact O-N 3.15Å
43S52.6Low68.4Low63 Ų63103.2 Ų103.244%0.44153%0.527SS..SBendtrans-84.4-13.1-173.858.80000116.1G41 S82G41-S43 VanDerWaalsContact C-N 3.34Å; S43-S82 WeakPolarHBondContact OG-CA 3.31Å; S43-S82 PolarHBondContact OG-O 3.16Å
44S58.3Low69.8Low35 Ų3595.8 Ų95.825%0.24550%0.495CS..  trans-133.587.5178172.90000110.9L46S44-L46 PolarHBondContact O-N 3.21Å; S44-L46 VanDerWaalsContact O-N 3.14Å
45Q68.1Low71.4Confident188 Ų18891 Ų9188%0.87948%0.477SS*.  trans-68.31.8165.4-64.2-172.9-5.900112.8
46L82.8Confident73.1Confident49 Ų4985 Ų8526%0.25745%0.452SS..SBendtrans-76.4141.5-179.4-56.3179.7000110.2S44 E67 R68 T81S44-L46 PolarHBondContact O-N 3.21Å; S44-L46 VanDerWaalsContact O-N 3.14Å; L46-E67 HydrophobicContact CD1-CB 3.92Å; L46-E67 WeakPolarHBondContact CD2-OE2 3.39Å; L46-R68 HydrophobicContact CD1-CG 3.68Å; L46-T81 HydrophobicContact CD1-CG2 4.36Å
47P86.7Confident75.3Confident91 Ų9181.5 Ų81.559%0.59145%0.448SS*.PPolyproline II helixtrans-57.6157.6171.625.4-33.6000110.3L49 R68P47-L49 PolarHBondContact O-N 3.26Å; P47-R68 PolarHBondContact O-NH1 2.94Å; P47-R68 PolarHBondContact O-NH2 3.37Å
48P87.8Confident77.3Confident124 Ų12479.4 Ų79.481%0.80544%0.439SS*.PPolyproline II helixtrans-51.7135.5171.6-26.135.3000111.1K50P48-K50 PolarHBondContact O-N 2.87Å
49L90.2Very high80Confident29 Ų2973.7 Ų73.715%0.15241%0.414CS..PPolyproline II helixtrans-69.5127.4174.7-173.463.4000108.5P47 R51 M54 Y62 V147P47-L49 PolarHBondContact O-N 3.26Å; L49-R51 PolarHBondContact O-N 3.09Å; L49-M54 HydrophobicContact CD2-CE 4.45Å; L49-Y62 HydrophobicContact CD1-CE1 4.2Å; L49-Y62 HydrophobicContact CD2-CD1 4.33Å; L49-Y62 HydrophobicContact CD2-CE1 3.78Å; L49-V147 HydrophobicContact CB-CG1 4.05Å; L49-V147 HydrophobicContact CD2-CB 4.28Å; L49-V147 HydrophobicContact CD2-CG1 4.02Å; L49-V147 HydrophobicContact CD2-CG2 4.46Å; L49-V147 HydrophobicContact CG-CG1 4.37Å
50K91.3Very high82.4Confident109 Ų10972.2 Ų72.247%0.47439%0.389SS..PPolyproline II helixtrans-59.9137177.3179.7169.7179.6166.20110P48 H52 E162P48-K50 PolarHBondContact O-N 2.87Å; K50-H52 PolarHBondContact O-N 3.32Å; K50-H52 PolarHBondContact O-ND1 3.44Å; K50-E162 IonicContact NZ-OE1 2.67Å; K50-E162 PolarHBondContact NZ-OE1 3.03Å
51R94.2Very high84.8Confident89 Ų8971.5 Ų71.534%0.33639%0.385SS..PPolyproline II helixtrans-66129.2178.4-71.8-173.7160.1141.50.2112.7L49 C146 V147 Y160L49-R51 PolarHBondContact O-N 3.09Å; R51-C146 PolarHBondContact NE-O 3.36Å; R51-C146 PolarHBondContact NH2-O 3.42Å; R51-C146 VanDerWaalsContact NH2-O 3.11Å; R51-V147 CarbonylContact C-O 3.57Å; R51-V147 WeakPolarHBondContact CA-O 3.43Å; R51-Y160 HydrophobicContact CB-CD1 3.91Å; R51-Y160 HydrophobicContact CB-CD2 4.35Å; R51-Y160 HydrophobicContact CB-CE1 4.37Å; R51-Y160 HydrophobicContact CB-CG 3.89Å
52H94.9Very high86.9Confident49 Ų4970.4 Ų70.423%0.22736%0.361CS..  trans-160.8147.2171.360.9-66.5000109.4K50 M54 E58 V147 G148K50-H52 PolarHBondContact O-N 3.32Å; K50-H52 PolarHBondContact O-ND1 3.44Å; H52-M54 WeakPolarHBondContact NE2-CG 3.46Å; H52-E58 IonicContact CD2-OE1 3.45Å; H52-E58 IonicContact NE2-OE1 3.66Å; H52-E58 PolarHBondContact NE2-OE1 3.37Å; H52-V147 PolarHBondContact N-O 3.24Å; H52-V147 VanDerWaalsContact O-O 3.09Å; H52-G148 WeakPolarHBondContact O-CA 3.37Å
53D97.5Very high89Confident6 Ų666 Ų663%0.03234%0.342CS..  trans-71.8142.7168.8-69.9-21.5000109.1R149 L151 P157 D158 Y160D53-R149 WeakPolarHBondContact CA-O 3.22Å; D53-R149 WeakPolarHBondContact OD1-CA 3.43Å; D53-R149 VanDerWaalsContact OD1-CB 3.25Å; D53-R149 WeakPolarHBondContact OD1-CB 3.38Å; D53-R149 PolarHBondContact OD1-N 3.48Å; D53-R149 IonicContact OD1-NE 3.12Å; D53-R149 IonicContact OD2-CZ 2.8Å; D53-R149 IonicContact OD2-NE 3.55Å; D53-R149 PolarHBondContact OD2-NE 3.3Å; D53-R149 IonicContact OD2-NH2 3.24Å; D53-R149 PolarHBondContact OD2-NH2 2.65Å; D53-L151 HydrophobicContact CB-CD1 4.07Å; D53-L151 HydrophobicContact CB-CD2 3.76Å; D53-L151 HydrophobicContact CB-CG 3.87Å; D53-P157 HydrophobicContact CB-CB 4.23Å; D53-D158 PolarHBondContact OD2-N 2.87Å; D53-Y160 PolarHBondContact OD1-OH 3.17Å
54M97Very high91Very high0 Ų063.2 Ų63.20%032%0.324CS..BIsolated β-bridgetrans-127.1147.8177.5-56.7172.9-12500109.4L49 H52 E58 L59 Y62 I77 V147 R149 L150 L151L49-M54 HydrophobicContact CD2-CE 4.45Å; H52-M54 WeakPolarHBondContact NE2-CG 3.46Å; M54-E58 HydrophobicContact CB-CB 4.08Å; M54-E58 HydrophobicContact CB-CG 4.01Å; M54-E58 HydrophobicContact CG-CB 4.5Å; M54-E58 HydrophobicContact CG-CG 3.87Å; M54-E58 HydrophobicContact SD-CG 4.2Å; M54-L59 HydrophobicContact SD-CD1 4.39Å; M54-Y62 HydrophobicContact CE-CE2 4.45Å; M54-Y62 HydrophobicContact SD-CD2 3.87Å; M54-Y62 HydrophobicContact SD-CE2 3.51Å; M54-Y62 VanDerWaalsContact SD-CE2 3.51Å; M54-I77 HydrophobicContact CB-CD1 3.6Å; M54-I77 HydrophobicContact CE-CB 4.45Å; M54-I77 HydrophobicContact CE-CD1 3.96Å; M54-I77 HydrophobicContact CE-CG2 3.85Å; M54-I77 HydrophobicContact CG-CD1 4Å; M54-I77 HydrophobicContact SD-CD1 4.11Å; M54-V147 HydrophobicContact CE-CB 4.41Å; M54-V147 HydrophobicContact CE-CG2 3.54Å; M54-R149 PolarHBondContact N-O 2.85Å; M54-R149 VanDerWaalsContact N-O 3.07Å; M54-L150 WeakPolarHBondContact O-CA 3.31Å; M54-L151 PolarHBondContact O-N 2.9Å
55D96.8Very high92.6Very high72 Ų7265.6 Ų65.639%0.38534%0.341SS..  trans-80.9178.2161.465.425.5000110.9D57 E58 L59 L151D55-D57 VanDerWaalsContact C-N 3.32Å; D55-D57 PolarHBondContact O-N 3.31Å; D55-D57 PolarHBondContact OD1-N 3.33Å; D55-D57 VanDerWaalsContact OD1-N 3.12Å; D55-E58 WeakPolarHBondContact OD1-CB 3.46Å; D55-E58 PolarHBondContact OD1-N 3.1Å; D55-L59 VanDerWaalsContact O-CB 3.32Å; D55-L59 WeakPolarHBondContact O-CB 3.44Å; D55-L59 PolarHBondContact O-N 3.14Å; D55-L151 HydrophobicContact CB-CB 4.45Å
56L96.6Very high93.5Very high19 Ų1961.7 Ų61.710%0.09933%0.326CS..Hα-helixtrans-64.1-37.9179.7-82.2172.8000112.4L59 R60 D100 L150L56-L59 HydrophobicContact CD2-CD2 4.49Å; L56-L59 PolarHBondContact O-N 2.92Å; L56-R60 VanDerWaalsContact O-CG 3.29Å; L56-R60 WeakPolarHBondContact O-CG 3.49Å; L56-R60 PolarHBondContact O-N 3.17Å; L56-D100 HydrophobicContact CD2-CB 4.39Å; L56-L150 HydrophobicContact CD2-CD1 3.86Å; L56-L150 HydrophobicContact CD2-CD2 3.93Å; L56-L150 HydrophobicContact CD2-CG 4.49Å; L56-L150 HydrophobicContact CG-CD1 4Å; L56-L150 HydrophobicContact CG-CD2 4.36Å
57D95.8Very high93.7Very high125 Ų12565.4 Ų65.467%0.66834%0.342SS*.Hα-helixtrans-67.7-40.5-177.3-74.3-29.3000111.4D55 R60 N61D55-D57 VanDerWaalsContact C-N 3.32Å; D55-D57 PolarHBondContact O-N 3.31Å; D55-D57 PolarHBondContact OD1-N 3.33Å; D55-D57 VanDerWaalsContact OD1-N 3.12Å; D57-R60 WeakPolarHBondContact O-CB 3.48Å; D57-R60 PolarHBondContact O-N 3.36Å; D57-N61 PolarHBondContact O-ND2 3.14Å
58E96.3Very high94.1Very high73 Ų7362.6 Ų62.634%0.34132%0.32SS..Hα-helixtrans-65.5-45.8172.1-179.8169-153.300111H52 M54 D55 R60 N61 Y62H52-E58 IonicContact CD2-OE1 3.45Å; H52-E58 IonicContact NE2-OE1 3.66Å; H52-E58 PolarHBondContact NE2-OE1 3.37Å; M54-E58 HydrophobicContact CB-CB 4.08Å; M54-E58 HydrophobicContact CB-CG 4.01Å; M54-E58 HydrophobicContact CG-CB 4.5Å; M54-E58 HydrophobicContact CG-CG 3.87Å; M54-E58 HydrophobicContact SD-CG 4.2Å; D55-E58 WeakPolarHBondContact OD1-CB 3.46Å; D55-E58 PolarHBondContact OD1-N 3.1Å; E58-R60 PolarHBondContact O-N 3.21Å; E58-N61 WeakPolarHBondContact O-CB 3.27Å; E58-N61 PolarHBondContact O-N 3.18Å; E58-N61 PolarHBondContact O-ND2 3.06Å; E58-Y62 HydrophobicContact CG-CE2 4.36Å; E58-Y62 WeakPolarHBondContact O-CD2 3.46Å
59L97.6Very high94.5Very high0 Ų056.7 Ų56.70%028%0.281CS..Hα-helixtrans-57.5-31.6177.4-178.659.6000112.2M54 D55 L56 N61 Y62 C70 A72 I77 G98 L150M54-L59 HydrophobicContact SD-CD1 4.39Å; D55-L59 VanDerWaalsContact O-CB 3.32Å; D55-L59 WeakPolarHBondContact O-CB 3.44Å; D55-L59 PolarHBondContact O-N 3.14Å; L56-L59 HydrophobicContact CD2-CD2 4.49Å; L56-L59 PolarHBondContact O-N 2.92Å; L59-N61 PolarHBondContact O-N 3.46Å; L59-N61 VanDerWaalsContact O-N 3.12Å; L59-Y62 PolarHBondContact O-N 3.32Å; L59-C70 HydrophobicContact CD1-CB 3.76Å; L59-A72 HydrophobicContact CD2-CB 3.94Å; L59-I77 HydrophobicContact CD1-CD1 4.45Å; L59-I77 HydrophobicContact CD1-CG2 3.71Å; L59-G98 VanDerWaalsContact O-CA 3.22Å; L59-G98 WeakPolarHBondContact O-CA 3.47Å; L59-L150 HydrophobicContact CD2-CD1 3.98Å
60R96.8Very high94.9Very high58 Ų5855.3 Ų55.322%0.21927%0.274CS..G310 helixtrans-55.8-28.3175.4-65.2-56.3166.6169.3-3113.9L56 D57 E58 Y62 G98 K116 D117L56-R60 VanDerWaalsContact O-CG 3.29Å; L56-R60 WeakPolarHBondContact O-CG 3.49Å; L56-R60 PolarHBondContact O-N 3.17Å; D57-R60 WeakPolarHBondContact O-CB 3.48Å; D57-R60 PolarHBondContact O-N 3.36Å; E58-R60 PolarHBondContact O-N 3.21Å; R60-Y62 PolarHBondContact O-N 3.48Å; R60-G98 VanDerWaalsContact CD-O 3.31Å; R60-G98 WeakPolarHBondContact CD-O 3.21Å; R60-K116 PolarHBondContact NH2-O 2.9Å; R60-D117 IonicContact NH2-OD1 2.97Å
61N96.5Very high95.2Very high90 Ų9050.1 Ų50.148%0.48125%0.252SS..G310 helixtrans-73.2-8.6-178.6-59-61.4000113.2D57 E58 L59 N66D57-N61 PolarHBondContact O-ND2 3.14Å; E58-N61 WeakPolarHBondContact O-CB 3.27Å; E58-N61 PolarHBondContact O-N 3.18Å; E58-N61 PolarHBondContact O-ND2 3.06Å; L59-N61 PolarHBondContact O-N 3.46Å; L59-N61 VanDerWaalsContact O-N 3.12Å; N61-N66 PolarHBondContact O-ND2 3.29Å
62Y96.7Very high95.5Very high42 Ų4245.9 Ų45.917%0.16524%0.236CC..G310 helixtrans-107.742179.6-58.1-90.4000111.6L49 M54 E58 L59 R60 G64 R68 I69 C70 G98L49-Y62 HydrophobicContact CD1-CE1 4.2Å; L49-Y62 HydrophobicContact CD2-CD1 4.33Å; L49-Y62 HydrophobicContact CD2-CE1 3.78Å; M54-Y62 HydrophobicContact CE-CE2 4.45Å; M54-Y62 HydrophobicContact SD-CD2 3.87Å; M54-Y62 HydrophobicContact SD-CE2 3.51Å; M54-Y62 VanDerWaalsContact SD-CE2 3.51Å; E58-Y62 HydrophobicContact CG-CE2 4.36Å; E58-Y62 WeakPolarHBondContact O-CD2 3.46Å; L59-Y62 PolarHBondContact O-N 3.32Å; R60-Y62 PolarHBondContact O-N 3.48Å; Y62-G64 VanDerWaalsContact C-N 3.31Å; Y62-R68 CarbonylContact C-O 3.46Å; Y62-R68 HydrophobicContact CD1-CB 3.84Å; Y62-R68 HydrophobicContact CE1-CB 4.49Å; Y62-I69 CarbonylContact O-C 3.54Å; Y62-I69 VanDerWaalsContact O-CA 3.3Å; Y62-I69 WeakPolarHBondContact O-CA 3.42Å; Y62-C70 HydrophobicContact CG-CB 4.11Å; Y62-C70 PolarHBondContact O-N 3.01Å; Y62-G98 PolarHBondContact O-N 3.11Å
63D95.7Very high95.6Very high74 Ų7443.6 Ų43.640%0.39623%0.225SC..BIsolated β-bridgetrans-86.71.517773.3-10.3000113.7S65 A97D63-S65 WeakPolarHBondContact OD1-CB 3.42Å; D63-S65 PolarHBondContact OD1-N 2.89Å; D63-S65 PolarHBondContact OD1-OG 3.35Å; D63-S65 VanDerWaalsContact OD1-OG 3.11Å; D63-A97 HydrophobicContact CB-CB 4.28Å; D63-A97 WeakPolarHBondContact O-CB 3.3Å
64G93.9Very high95.6Very high6 Ų646 Ų466%0.06224%0.238CC..SBendtrans96.9-3.7-175.600000115.6Y62 R68 I69 R84Y62-G64 VanDerWaalsContact C-N 3.31Å; G64-R68 WeakPolarHBondContact CA-O 3.45Å; G64-R68 PolarHBondContact N-O 2.9Å; G64-I69 VanDerWaalsContact CA-CG1 3.43Å; G64-R84 PolarHBondContact O-NH1 3.01Å; G64-R84 VanDerWaalsContact O-NH1 3.11Å; G64-R84 PolarHBondContact O-NH2 2.92Å; G64-R84 VanDerWaalsContact O-NH2 3.14Å
65S91.2Very high95.6Very high85 Ų8547.3 Ų47.359%0.59425%0.251SS*.THydrogen-bonded Turntrans-67.4-38.1172.877.80000111.9D63 E67D63-S65 WeakPolarHBondContact OD1-CB 3.42Å; D63-S65 PolarHBondContact OD1-N 2.89Å; D63-S65 PolarHBondContact OD1-OG 3.35Å; D63-S65 VanDerWaalsContact OD1-OG 3.11Å; S65-E67 VanDerWaalsContact C-N 3.34Å; S65-E67 PolarHBondContact O-N 3.11Å
66N86.3Confident95.7Very high105 Ų10547.4 Ų47.456%0.56125%0.248SC*.THydrogen-bonded Turntrans-98.238.4180-59.8-40.7000112N61 R68N61-N66 PolarHBondContact O-ND2 3.29Å; N66-R68 PolarHBondContact O-N 3.03Å
67E87.4Confident95.8Very high127 Ų12746.5 Ų46.559%0.59324%0.243SC*.SBendtrans69.2-41-177-51.5-179.9153.900115.1L46 S65 T81 R84L46-E67 HydrophobicContact CD1-CB 3.92Å; L46-E67 WeakPolarHBondContact CD2-OE2 3.39Å; S65-E67 VanDerWaalsContact C-N 3.34Å; S65-E67 PolarHBondContact O-N 3.11Å; E67-T81 WeakPolarHBondContact O-CG2 3.22Å; E67-R84 PolarHBondContact O-NH1 3.08Å; E67-R84 VanDerWaalsContact O-NH1 3.14Å
68R95.1Very high95.9Very high32 Ų3240.6 Ų40.612%0.12121%0.212CC..  trans-83.3144.4179.2-68.5-163.7-172.2-91.7-3.1113.7L46 P47 Y62 G64 N66 D79 T81L46-R68 HydrophobicContact CD1-CG 3.68Å; P47-R68 PolarHBondContact O-NH1 2.94Å; P47-R68 PolarHBondContact O-NH2 3.37Å; Y62-R68 CarbonylContact C-O 3.46Å; Y62-R68 HydrophobicContact CD1-CB 3.84Å; Y62-R68 HydrophobicContact CE1-CB 4.49Å; G64-R68 WeakPolarHBondContact CA-O 3.45Å; G64-R68 PolarHBondContact N-O 2.9Å; N66-R68 PolarHBondContact O-N 3.03Å; R68-D79 IonicContact NH1-OD2 3.48Å; R68-D79 PolarHBondContact NH1-OD2 3.38Å; R68-T81 WeakPolarHBondContact CA-OG1 3.48Å
69I97.4Very high96Very high0 Ų037.7 Ų37.70%020%0.199CC..BIsolated β-bridgetrans-125.4116175.1-52.7160.9000108Y62 G64 V80 T81 R84 A97Y62-I69 CarbonylContact O-C 3.54Å; Y62-I69 VanDerWaalsContact O-CA 3.3Å; Y62-I69 WeakPolarHBondContact O-CA 3.42Å; G64-I69 VanDerWaalsContact CA-CG1 3.43Å; I69-V80 HydrophobicContact CB-CG2 4.01Å; I69-V80 HydrophobicContact CG2-CG2 3.58Å; I69-V80 WeakPolarHBondContact O-CG2 3.39Å; I69-V80 PolarHBondContact O-N 3.24Å; I69-T81 PolarHBondContact N-OG1 3.07Å; I69-T81 PolarHBondContact O-N 2.7Å; I69-T81 PolarHBondContact O-OG1 3.47Å; I69-R84 HydrophobicContact CD1-CB 3.98Å; I69-R84 HydrophobicContact CD1-CG 3.83Å; I69-A97 HydrophobicContact CG2-CB 3.77Å
70C98.2Very high95.9Very high0 Ų037.7 Ų37.70%020%0.199CC..EExtended strand (participates in β ladder)trans-122152.3172.4-58.20000109.5L59 Y62 I77 Y78 G98L59-C70 HydrophobicContact CD1-CB 3.76Å; Y62-C70 HydrophobicContact CG-CB 4.11Å; Y62-C70 PolarHBondContact O-N 3.01Å; C70-I77 HydrophobicContact CB-CG2 3.93Å; C70-Y78 VanDerWaalsContact CA-O 3.26Å; C70-Y78 WeakPolarHBondContact CA-O 3.41Å; C70-G98 WeakPolarHBondContact O-CA 3.49Å; C70-G98 PolarHBondContact O-N 3.21Å
71L98.4Very high95.9Very high1 Ų135.2 Ų35.21%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-148.5156.4172.466.182.2000109.6V73 I77 Y78 V80 Y87 F96 R99 A101 F140L71-V73 HydrophobicContact CD1-CG2 3.4Å; L71-I77 WeakPolarHBondContact O-CA 3.23Å; L71-Y78 PolarHBondContact N-O 3.07Å; L71-Y78 PolarHBondContact O-N 3.49Å; L71-V80 HydrophobicContact CD2-CG1 4.2Å; L71-V80 HydrophobicContact CD2-CG2 3.97Å; L71-V80 HydrophobicContact CG-CG1 4.2Å; L71-V80 HydrophobicContact CG-CG2 4.28Å; L71-Y87 HydrophobicContact CD2-CD1 3.52Å; L71-Y87 HydrophobicContact CD2-CE1 3.52Å; L71-Y87 HydrophobicContact CD2-CG 4.26Å; L71-F96 WeakPolarHBondContact CB-O 3.32Å; L71-F96 HydrophobicContact CD2-CB 3.92Å; L71-R99 WeakPolarHBondContact CA-O 3.46Å; L71-A101 HydrophobicContact CD1-CB 4.2Å; L71-F140 HydrophobicContact CD1-CD1 4.32Å; L71-F140 HydrophobicContact CD1-CE1 3.67Å; L71-F140 HydrophobicContact CD1-CZ 4.3Å; L71-F140 HydrophobicContact CD2-CE1 4.37Å; L71-F140 HydrophobicContact CG-CE1 4.38Å
72A98.6Very high95.7Very high0 Ų032.9 Ų32.90%018%0.18CC..EExtended strand (participates in β ladder)trans-97.4140.3176.200000111.7L59 K76 I77 R99 D100 A101 L150L59-A72 HydrophobicContact CD2-CB 3.94Å; A72-K76 CarbonylContact C-O 3.56Å; A72-K76 VanDerWaalsContact CA-O 3.24Å; A72-K76 WeakPolarHBondContact CA-O 3.28Å; A72-I77 HydrophobicContact CB-CG1 4.25Å; A72-R99 PolarHBondContact N-O 3.07Å; A72-D100 HydrophobicContact CB-CB 4.19Å; A72-A101 PolarHBondContact O-N 2.89Å; A72-L150 HydrophobicContact CB-CB 4.04Å; A72-L150 HydrophobicContact CB-CD2 3.76Å; A72-L150 HydrophobicContact CB-CG 4.35Å
73V98.5Very high95.5Very high0 Ų033.5 Ų33.50%018%0.184CC..EExtended strand (participates in β ladder)trans-136.2120.2170-1750000108.1L71 G75 K76 Y78 L105 L133 W136 A137 F140L71-V73 HydrophobicContact CD1-CG2 3.4Å; V73-G75 VanDerWaalsContact C-N 3.33Å; V73-G75 PolarHBondContact O-N 3.36Å; V73-K76 PolarHBondContact N-O 2.88Å; V73-K76 PolarHBondContact O-N 3.1Å; V73-K76 VanDerWaalsContact O-N 3.12Å; V73-Y78 HydrophobicContact CB-CD2 4.27Å; V73-Y78 HydrophobicContact CB-CE2 4Å; V73-Y78 HydrophobicContact CG2-CD2 4.34Å; V73-L105 HydrophobicContact CB-CD1 4.33Å; V73-L105 HydrophobicContact CG1-CD1 3.79Å; V73-L105 HydrophobicContact CG2-CD1 3.61Å; V73-L133 HydrophobicContact CG1-CD1 3.93Å; V73-W136 HydrophobicContact CG1-CB 4.47Å; V73-A137 HydrophobicContact CG1-CB 4.26Å; V73-F140 HydrophobicContact CG2-CD1 3.82Å; V73-F140 HydrophobicContact CG2-CD2 4.2Å; V73-F140 HydrophobicContact CG2-CE1 3.89Å; V73-F140 HydrophobicContact CG2-CE2 4.23Å; V73-F140 HydrophobicContact CG2-CG 3.98Å; V73-F140 HydrophobicContact CG2-CZ 4.08Å
74N97.5Very high95.4Very high58 Ų5835 Ų3531%0.3118%0.184SC..THydrogen-bonded Turntrans49.550.1178.6-165.136.1000112.9K76 S102 L133 A137N74-K76 PolarHBondContact O-N 2.98Å; N74-S102 PolarHBondContact N-OG 3.26Å; N74-L133 HydrophobicContact CB-CD1 4.16Å; N74-L133 HydrophobicContact CB-CD2 4.22Å; N74-L133 HydrophobicContact CB-CG 4.01Å; N74-A137 HydrophobicContact CB-CB 3.92Å
75G97.2Very high95.3Very high26 Ų2639.9 Ų39.927%0.26821%0.205SC..THydrogen-bonded Turntrans75.20.217800000115.8V73 R149 L150V73-G75 VanDerWaalsContact C-N 3.33Å; V73-G75 PolarHBondContact O-N 3.36Å; G75-R149 CarbonylContact O-C 3.35Å; G75-R149 VanDerWaalsContact O-CA 3.25Å; G75-R149 WeakPolarHBondContact O-CA 3.49Å; G75-R149 WeakPolarHBondContact O-CB 3.13Å; G75-L150 PolarHBondContact O-N 3.27Å
76K98.2Very high95.5Very high74 Ų7438.5 Ų38.532%0.32219%0.191SC..EExtended strand (participates in β ladder)trans-109142.2172.9-71.2-179.9175.11790110.6A72 V73 N74 Y78 E141A72-K76 CarbonylContact C-O 3.56Å; A72-K76 VanDerWaalsContact CA-O 3.24Å; A72-K76 WeakPolarHBondContact CA-O 3.28Å; V73-K76 PolarHBondContact N-O 2.88Å; V73-K76 PolarHBondContact O-N 3.1Å; V73-K76 VanDerWaalsContact O-N 3.12Å; N74-K76 PolarHBondContact O-N 2.98Å; K76-Y78 HydrophobicContact CB-CE2 3.64Å; K76-Y78 WeakPolarHBondContact CD-OH 3.47Å; K76-Y78 WeakPolarHBondContact O-CE2 3.35Å; K76-E141 IonicContact NZ-OE1 3.21Å; K76-E141 PolarHBondContact NZ-OE1 2.86Å; K76-E141 IonicContact NZ-OE2 2.78Å
77I98.5Very high96Very high0 Ų034.2 Ų34.20%017%0.167CC..EExtended strand (participates in β ladder)trans-100.8134178.6-54.4173.4000109.2M54 L59 C70 L71 A72 C146 V147 G148 R149 L150M54-I77 HydrophobicContact CB-CD1 3.6Å; M54-I77 HydrophobicContact CE-CB 4.45Å; M54-I77 HydrophobicContact CE-CD1 3.96Å; M54-I77 HydrophobicContact CE-CG2 3.85Å; M54-I77 HydrophobicContact CG-CD1 4Å; M54-I77 HydrophobicContact SD-CD1 4.11Å; L59-I77 HydrophobicContact CD1-CD1 4.45Å; L59-I77 HydrophobicContact CD1-CG2 3.71Å; C70-I77 HydrophobicContact CB-CG2 3.93Å; L71-I77 WeakPolarHBondContact O-CA 3.23Å; A72-I77 HydrophobicContact CB-CG1 4.25Å; I77-C146 CarbonylContact O-C 3.41Å; I77-C146 WeakPolarHBondContact O-CA 3.38Å; I77-V147 HydrophobicContact CB-CG2 3.69Å; I77-V147 HydrophobicContact CG2-CG2 3.39Å; I77-V147 WeakPolarHBondContact O-CG2 3.29Å; I77-V147 PolarHBondContact O-N 3.3Å; I77-G148 PolarHBondContact N-O 3.49Å; I77-R149 WeakPolarHBondContact CD1-O 3.44Å; I77-L150 HydrophobicContact CD1-CB 4.35Å; I77-L150 HydrophobicContact CD1-CD1 4.39Å; I77-L150 HydrophobicContact CG1-CB 4.11Å
78Y98.2Very high96.3Very high1 Ų128.3 Ų28.30%0.00414%0.14CC..EExtended strand (participates in β ladder)trans-122135.4-178.1-62.1-83.2000111.3C70 L71 V73 K76 V80 F140 E141 P145 C146C70-Y78 VanDerWaalsContact CA-O 3.26Å; C70-Y78 WeakPolarHBondContact CA-O 3.41Å; L71-Y78 PolarHBondContact N-O 3.07Å; L71-Y78 PolarHBondContact O-N 3.49Å; V73-Y78 HydrophobicContact CB-CD2 4.27Å; V73-Y78 HydrophobicContact CB-CE2 4Å; V73-Y78 HydrophobicContact CG2-CD2 4.34Å; K76-Y78 HydrophobicContact CB-CE2 3.64Å; K76-Y78 WeakPolarHBondContact CD-OH 3.47Å; K76-Y78 WeakPolarHBondContact O-CE2 3.35Å; Y78-V80 PolarHBondContact O-N 3.46Å; Y78-F140 HydrophobicContact CD1-CB 4.24Å; Y78-F140 HydrophobicContact CD2-CB 4Å; Y78-F140 AromaticContact CD2-CD1 3.99Å; Y78-F140 HydrophobicContact CD2-CD1 3.99Å; Y78-F140 HydrophobicContact CD2-CG 4.39Å; Y78-F140 HydrophobicContact CE1-CB 4.11Å; Y78-F140 HydrophobicContact CE2-CB 3.86Å; Y78-F140 HydrophobicContact CG-CB 4.18Å; Y78-F140 HydrophobicContact CG-CD1 4.09Å; Y78-E141 HydrophobicContact CE1-CB 4.25Å; Y78-P145 WeakPolarHBondContact CA-O 3.25Å; Y78-C146 HydrophobicContact CD1-CB 4.09Å; Y78-C146 HydrophobicContact CE1-CB 3.89Å
79D97.3Very high96.2Very high13 Ų1332.8 Ų32.87%0.0718%0.176CC..EExtended strand (participates in β ladder)trans-79.3105.3169.5-170.9-18.7000109.4R68 T81 P145 V147R68-D79 IonicContact NH1-OD2 3.48Å; R68-D79 PolarHBondContact NH1-OD2 3.38Å; D79-T81 WeakPolarHBondContact OD1-CB 3.46Å; D79-T81 PolarHBondContact OD1-N 2.67Å; D79-T81 PolarHBondContact OD1-OG1 2.74Å; D79-P145 PolarHBondContact N-O 3.07Å; D79-P145 WeakPolarHBondContact O-CD 3.39Å; D79-V147 HydrophobicContact CB-CG1 3.79Å
80V96.7Very high95.8Very high0 Ų036.7 Ų36.70%022%0.217CC..  trans-103.115.1179.8-58.70000112I69 L71 Y78 S82 K83 Y87 F140 Y144I69-V80 HydrophobicContact CB-CG2 4.01Å; I69-V80 HydrophobicContact CG2-CG2 3.58Å; I69-V80 WeakPolarHBondContact O-CG2 3.39Å; I69-V80 PolarHBondContact O-N 3.24Å; L71-V80 HydrophobicContact CD2-CG1 4.2Å; L71-V80 HydrophobicContact CD2-CG2 3.97Å; L71-V80 HydrophobicContact CG-CG1 4.2Å; L71-V80 HydrophobicContact CG-CG2 4.28Å; Y78-V80 PolarHBondContact O-N 3.46Å; V80-S82 PolarHBondContact O-N 2.78Å; V80-S82 VanDerWaalsContact O-N 3.15Å; V80-K83 CarbonylContact O-C 3.59Å; V80-K83 PolarHBondContact O-N 3.24Å; V80-Y87 HydrophobicContact CB-CD2 3.55Å; V80-Y87 HydrophobicContact CB-CE2 3.77Å; V80-Y87 HydrophobicContact CB-CG 4.15Å; V80-Y87 HydrophobicContact CG1-CD2 4.27Å; V80-Y87 HydrophobicContact CG1-CE2 4.03Å; V80-Y87 HydrophobicContact CG2-CD1 4.35Å; V80-Y87 HydrophobicContact CG2-CD2 3.61Å; V80-Y87 HydrophobicContact CG2-CE2 4.21Å; V80-Y87 HydrophobicContact CG2-CG 3.67Å; V80-F140 HydrophobicContact CG1-CE1 4.12Å; V80-Y144 HydrophobicContact CB-CD1 4.25Å; V80-Y144 HydrophobicContact CB-CE1 4.33Å; V80-Y144 HydrophobicContact CG1-CD1 3.88Å; V80-Y144 HydrophobicContact CG1-CD2 4.01Å; V80-Y144 HydrophobicContact CG1-CE1 4.13Å; V80-Y144 HydrophobicContact CG1-CE2 4.26Å; V80-Y144 HydrophobicContact CG1-CG 3.82Å
81T95.6Very high95.6Very high5 Ų537.6 Ų37.63%0.03123%0.226CC..G310 helixtrans-55.2-35.1-178.1-55.70000112.2L46 E67 R68 I69 D79 K83 R84L46-T81 HydrophobicContact CD1-CG2 4.36Å; E67-T81 WeakPolarHBondContact O-CG2 3.22Å; R68-T81 WeakPolarHBondContact CA-OG1 3.48Å; I69-T81 PolarHBondContact N-OG1 3.07Å; I69-T81 PolarHBondContact O-N 2.7Å; I69-T81 PolarHBondContact O-OG1 3.47Å; D79-T81 WeakPolarHBondContact OD1-CB 3.46Å; D79-T81 PolarHBondContact OD1-N 2.67Å; D79-T81 PolarHBondContact OD1-OG1 2.74Å; T81-K83 PolarHBondContact O-N 2.86Å; T81-K83 VanDerWaalsContact O-N 3.12Å; T81-R84 PolarHBondContact O-N 3.26Å
82S92.6Very high95.5Very high41 Ų4141.3 Ų41.329%0.28725%0.25SS..G310 helixtrans-63.6-16.4177.563.40000114.2S43 V80S43-S82 WeakPolarHBondContact OG-CA 3.31Å; S43-S82 PolarHBondContact OG-O 3.16Å; V80-S82 PolarHBondContact O-N 2.78Å; V80-S82 VanDerWaalsContact O-N 3.15Å
83K92.8Very high95.4Very high55 Ų5546.1 Ų46.124%0.23927%0.269CS..G310 helixtrans-114.343.8176.9-63.3-58.9-179.8-169.40111.7V80 T81 E85 L86 Y87 Y144V80-K83 CarbonylContact O-C 3.59Å; V80-K83 PolarHBondContact O-N 3.24Å; T81-K83 PolarHBondContact O-N 2.86Å; T81-K83 VanDerWaalsContact O-N 3.12Å; K83-E85 VanDerWaalsContact CD-OE1 3.22Å; K83-E85 WeakPolarHBondContact CD-OE1 3.23Å; K83-E85 IonicContact NZ-OE1 2.86Å; K83-E85 PolarHBondContact O-N 2.98Å; K83-L86 HydrophobicContact CB-CB 4.4Å; K83-L86 HydrophobicContact CB-CD1 4.36Å; K83-L86 WeakPolarHBondContact O-CA 3.44Å; K83-L86 WeakPolarHBondContact O-CB 3.3Å; K83-L86 PolarHBondContact O-N 3.21Å; K83-Y87 HydrophobicContact CB-CD2 3.83Å; K83-Y87 HydrophobicContact CB-CE2 3.95Å; K83-Y87 WeakPolarHBondContact O-CD2 3.49Å; K83-Y87 PolarHBondContact O-N 2.8Å; K83-Y144 HydrophobicContact CB-CE1 4.22Å; K83-Y144 HydrophobicContact CG-CE1 3.59Å
84R93.1Very high95.3Very high106 Ų10647.1 Ų47.140%0.428%0.279SS..Hα-helixtrans-56.4-28177.1-176167.8-172.299.14.3113.2G64 E67 I69 T81 L86 G88G64-R84 PolarHBondContact O-NH1 3.01Å; G64-R84 VanDerWaalsContact O-NH1 3.11Å; G64-R84 PolarHBondContact O-NH2 2.92Å; G64-R84 VanDerWaalsContact O-NH2 3.14Å; E67-R84 PolarHBondContact O-NH1 3.08Å; E67-R84 VanDerWaalsContact O-NH1 3.14Å; I69-R84 HydrophobicContact CD1-CB 3.98Å; I69-R84 HydrophobicContact CD1-CG 3.83Å; T81-R84 PolarHBondContact O-N 3.26Å; R84-L86 PolarHBondContact O-N 3.43Å; R84-G88 WeakPolarHBondContact O-CA 3.46Å; R84-G88 PolarHBondContact O-N 3.33Å
85E92.5Very high95.3Very high109 Ų10946.5 Ų46.551%0.50928%0.276SS..Hα-helixtrans-64.8-24.4173.167.8-78.4-178.500113.5K83K83-E85 VanDerWaalsContact CD-OE1 3.22Å; K83-E85 WeakPolarHBondContact CD-OE1 3.23Å; K83-E85 IonicContact NZ-OE1 2.86Å; K83-E85 PolarHBondContact O-N 2.98Å
86L95Very high95.3Very high56 Ų5645.6 Ų45.629%0.29326%0.264SS..Hα-helixtrans-96.2-48.3178-65.7-177.1000112.2K83 R84 G91 P92 Y93 G94K83-L86 HydrophobicContact CB-CB 4.4Å; K83-L86 HydrophobicContact CB-CD1 4.36Å; K83-L86 WeakPolarHBondContact O-CA 3.44Å; K83-L86 WeakPolarHBondContact O-CB 3.3Å; K83-L86 PolarHBondContact O-N 3.21Å; R84-L86 PolarHBondContact O-N 3.43Å; L86-G91 CarbonylContact O-C 3.47Å; L86-G91 WeakPolarHBondContact O-CA 3.4Å; L86-P92 HydrophobicContact CD2-CG 4Å; L86-Y93 HydrophobicContact CB-CD2 4.18Å; L86-Y93 HydrophobicContact CD2-CD2 4.4Å; L86-Y93 HydrophobicContact CD2-CE2 4.42Å; L86-Y93 CarbonylContact O-C 3.57Å; L86-Y93 WeakPolarHBondContact O-CA 3.5Å; L86-Y93 PolarHBondContact O-N 3.18Å; L86-G94 PolarHBondContact O-N 3.15Å
87Y96.7Very high95.3Very high15 Ų1542.6 Ų42.66%0.05925%0.253CS..Hα-helixtrans-105.6-8.3-171-56.8-75.3000114.2L71 V80 K83 G94 F140 Y144L71-Y87 HydrophobicContact CD2-CD1 3.52Å; L71-Y87 HydrophobicContact CD2-CE1 3.52Å; L71-Y87 HydrophobicContact CD2-CG 4.26Å; V80-Y87 HydrophobicContact CB-CD2 3.55Å; V80-Y87 HydrophobicContact CB-CE2 3.77Å; V80-Y87 HydrophobicContact CB-CG 4.15Å; V80-Y87 HydrophobicContact CG1-CD2 4.27Å; V80-Y87 HydrophobicContact CG1-CE2 4.03Å; V80-Y87 HydrophobicContact CG2-CD1 4.35Å; V80-Y87 HydrophobicContact CG2-CD2 3.61Å; V80-Y87 HydrophobicContact CG2-CE2 4.21Å; V80-Y87 HydrophobicContact CG2-CG 3.67Å; K83-Y87 HydrophobicContact CB-CD2 3.83Å; K83-Y87 HydrophobicContact CB-CE2 3.95Å; K83-Y87 WeakPolarHBondContact O-CD2 3.49Å; K83-Y87 PolarHBondContact O-N 2.8Å; Y87-G94 WeakPolarHBondContact O-CA 3.38Å; Y87-F140 VanDerWaalsContact OH-CZ 3.23Å; Y87-F140 WeakPolarHBondContact OH-CZ 3.36Å; Y87-Y144 HydrophobicContact CE2-CE1 4.44Å
88G94.3Very high95.3Very high2 Ų242.6 Ų42.62%0.02125%0.253CS..SBendtrans-74.5173.9175.400000112.1R84 G90 G91R84-G88 WeakPolarHBondContact O-CA 3.46Å; R84-G88 PolarHBondContact O-N 3.33Å; G88-G90 PolarHBondContact O-N 2.74Å; G88-G91 PolarHBondContact O-N 2.76Å
89S92.5Very high95.3Very high126 Ų12645.2 Ų45.288%0.88126%0.263SS*.THydrogen-bonded Turntrans-54124.5174.9-169.60000111.2G91S89-G91 VanDerWaalsContact C-N 3.3Å; S89-G91 PolarHBondContact O-N 3.24Å
90G90.5Very high95.3Very high83 Ų8345.5 Ų45.586%0.85627%0.265SS*.THydrogen-bonded Turntrans84.3-7.6-17700000115.3G88G88-G90 PolarHBondContact O-N 2.74Å
91G93.2Very high95.4Very high18 Ų1845.5 Ų45.519%0.18627%0.265CS..SBendtrans-69.6153.417200000112L86 G88 S89 Y93 G94L86-G91 CarbonylContact O-C 3.47Å; L86-G91 WeakPolarHBondContact O-CA 3.4Å; G88-G91 PolarHBondContact O-N 2.76Å; S89-G91 VanDerWaalsContact C-N 3.3Å; S89-G91 PolarHBondContact O-N 3.24Å; G91-Y93 PolarHBondContact O-N 3.18Å; G91-Y93 VanDerWaalsContact O-N 3.11Å; G91-G94 PolarHBondContact O-N 2.97Å
92P95.3Very high95.5Very high80 Ų8045.2 Ų45.252%0.51926%0.263SS..THydrogen-bonded Turntrans-60.1-23.2-178.125-36.1000114L86L86-P92 HydrophobicContact CD2-CG 4Å
93Y97.2Very high95.8Very high101 Ų10144 Ų4440%0.39625%0.252SS..THydrogen-bonded Turntrans-116.215.8179.3-52.6-54.5000112.2L86 G91 L95 F96 T110L86-Y93 HydrophobicContact CB-CD2 4.18Å; L86-Y93 HydrophobicContact CD2-CD2 4.4Å; L86-Y93 HydrophobicContact CD2-CE2 4.42Å; L86-Y93 CarbonylContact O-C 3.57Å; L86-Y93 WeakPolarHBondContact O-CA 3.5Å; L86-Y93 PolarHBondContact O-N 3.18Å; G91-Y93 PolarHBondContact O-N 3.18Å; G91-Y93 VanDerWaalsContact O-N 3.11Å; Y93-L95 PolarHBondContact O-N 3.13Å; Y93-L95 VanDerWaalsContact O-N 3.14Å; Y93-F96 HydrophobicContact CD1-CE2 4.03Å; Y93-F96 HydrophobicContact CG-CE2 4.46Å; Y93-F96 WeakPolarHBondContact O-CB 3.36Å; Y93-F96 PolarHBondContact O-N 2.9Å; Y93-T110 HydrophobicContact CD1-CG2 4.08Å; Y93-T110 HydrophobicContact CE1-CG2 4.16Å
94G96.9Very high96.1Very high21 Ų2141.3 Ų41.322%0.21624%0.241CC..G310 helixtrans-60.9-22.7179.800000113.9L86 Y87 G91 F96 A97L86-G94 PolarHBondContact O-N 3.15Å; Y87-G94 WeakPolarHBondContact O-CA 3.38Å; G91-G94 PolarHBondContact O-N 2.97Å; G94-F96 PolarHBondContact O-N 2.72Å; G94-A97 VanDerWaalsContact O-CB 3.3Å; G94-A97 WeakPolarHBondContact O-CB 3.37Å; G94-A97 PolarHBondContact O-N 3.3Å
95L96.6Very high96.3Very high45 Ų4537.1 Ų37.124%0.23623%0.226CC..G310 helixtrans-62.6-18.6173.271.9152.5000113.9Y93 R99 T110 V112 L115Y93-L95 PolarHBondContact O-N 3.13Å; Y93-L95 VanDerWaalsContact O-N 3.14Å; L95-R99 WeakPolarHBondContact O-CD 3.14Å; L95-T110 VanDerWaalsContact CD1-O 3.24Å; L95-T110 WeakPolarHBondContact CD1-O 3.2Å; L95-T110 HydrophobicContact CD2-CG2 4.31Å; L95-V112 HydrophobicContact CB-CG2 4.37Å; L95-V112 HydrophobicContact CD1-CG2 3.85Å; L95-L115 HydrophobicContact CB-CD1 4.24Å; L95-L115 HydrophobicContact CD1-CD1 3.74Å; L95-L115 HydrophobicContact CG-CD1 4.17Å; L95-L115 VanDerWaalsContact O-CD1 3.28Å; L95-L115 WeakPolarHBondContact O-CD1 3.06Å
96F98.2Very high96.6Very high6 Ų632 Ų323%0.02620%0.202CC..G310 helixtrans-88.8-9.9179-58.5-30.3000113.3L71 Y93 G94 G98 R99 A101 C104 L105 T110 L115L71-F96 WeakPolarHBondContact CB-O 3.32Å; L71-F96 HydrophobicContact CD2-CB 3.92Å; Y93-F96 HydrophobicContact CD1-CE2 4.03Å; Y93-F96 HydrophobicContact CG-CE2 4.46Å; Y93-F96 WeakPolarHBondContact O-CB 3.36Å; Y93-F96 PolarHBondContact O-N 2.9Å; G94-F96 PolarHBondContact O-N 2.72Å; F96-G98 PolarHBondContact O-N 3.39Å; F96-R99 WeakPolarHBondContact O-CB 3.35Å; F96-R99 PolarHBondContact O-N 2.86Å; F96-R99 VanDerWaalsContact O-N 3.13Å; F96-A101 HydrophobicContact CB-CB 3.95Å; F96-A101 HydrophobicContact CD1-CB 3.98Å; F96-A101 HydrophobicContact CD2-CB 4.14Å; F96-A101 HydrophobicContact CG-CB 3.77Å; F96-C104 HydrophobicContact CD1-CB 4.42Å; F96-C104 HydrophobicContact CE1-CB 3.4Å; F96-C104 VanDerWaalsContact CE1-CB 3.4Å; F96-C104 HydrophobicContact CZ-CB 3.64Å; F96-L105 HydrophobicContact CE2-CD2 4.4Å; F96-T110 HydrophobicContact CZ-CG2 4.15Å; F96-L115 HydrophobicContact CD1-CD1 4.18Å; F96-L115 HydrophobicContact CD1-CD2 3.92Å; F96-L115 HydrophobicContact CE1-CD1 4.46Å; F96-L115 HydrophobicContact CE1-CD2 4.17Å
97A97.9Very high96.8Very high11 Ų1132.8 Ų32.89%0.09120%0.203CC..THydrogen-bonded Turntrans-61130.618000000111D63 I69 G94 R99D63-A97 HydrophobicContact CB-CB 4.28Å; D63-A97 WeakPolarHBondContact O-CB 3.3Å; I69-A97 HydrophobicContact CG2-CB 3.77Å; G94-A97 VanDerWaalsContact O-CB 3.3Å; G94-A97 WeakPolarHBondContact O-CB 3.37Å; G94-A97 PolarHBondContact O-N 3.3Å; A97-R99 PolarHBondContact O-N 2.97Å
98G97.8Very high96.8Very high0 Ų039.1 Ų39.10%023%0.231CC..THydrogen-bonded Turntrans62.524.1-176.600000114.3L59 R60 Y62 C70 F96L59-G98 VanDerWaalsContact O-CA 3.22Å; L59-G98 WeakPolarHBondContact O-CA 3.47Å; R60-G98 VanDerWaalsContact CD-O 3.31Å; R60-G98 WeakPolarHBondContact CD-O 3.21Å; Y62-G98 PolarHBondContact O-N 3.11Å; C70-G98 WeakPolarHBondContact O-CA 3.49Å; C70-G98 PolarHBondContact O-N 3.21Å; F96-G98 PolarHBondContact O-N 3.39Å
99R98.2Very high96.9Very high56 Ų5640.5 Ų40.521%0.21124%0.241CC..SBendtrans-132.8163.3-174.7-78.3-178.3178.9-93-3.2112.3L71 A72 L95 F96 A97 D117L71-R99 WeakPolarHBondContact CA-O 3.46Å; A72-R99 PolarHBondContact N-O 3.07Å; L95-R99 WeakPolarHBondContact O-CD 3.14Å; F96-R99 WeakPolarHBondContact O-CB 3.35Å; F96-R99 PolarHBondContact O-N 2.86Å; F96-R99 VanDerWaalsContact O-N 3.13Å; A97-R99 PolarHBondContact O-N 2.97Å; R99-D117 IonicContact CZ-OD1 3.48Å; R99-D117 VanDerWaalsContact CZ-OD1 3.3Å; R99-D117 IonicContact NH1-OD1 2.74Å; R99-D117 PolarHBondContact NH1-OD1 2.86Å; R99-D117 IonicContact NH2-OD1 3.24Å; R99-D117 PolarHBondContact NH2-OD1 3.11Å
100D98.5Very high97Very high19 Ų1938.3 Ų38.310%0.10222%0.222CC..BIsolated β-bridgetrans-80.6111.3161.5-174.36.4000110.5L56 A72 S102 L115 L150L56-D100 HydrophobicContact CD2-CB 4.39Å; A72-D100 HydrophobicContact CB-CB 4.19Å; D100-S102 VanDerWaalsContact C-N 3.34Å; D100-S102 WeakPolarHBondContact OD1-CB 3.19Å; D100-S102 PolarHBondContact OD1-N 3.12Å; D100-S102 PolarHBondContact OD1-OG 3.14Å; D100-L115 WeakPolarHBondContact O-CD2 3.31Å; D100-L150 HydrophobicContact CB-CD2 3.95Å
101A98.4Very high97.3Very high0 Ų038.1 Ų38.10%020%0.202CC..  trans-86.8-5.5-179.500000112.9L71 A72 F96 R103 C104 L105L71-A101 HydrophobicContact CD1-CB 4.2Å; A72-A101 PolarHBondContact O-N 2.89Å; F96-A101 HydrophobicContact CB-CB 3.95Å; F96-A101 HydrophobicContact CD1-CB 3.98Å; F96-A101 HydrophobicContact CD2-CB 4.14Å; F96-A101 HydrophobicContact CG-CB 3.77Å; A101-R103 PolarHBondContact O-N 2.89Å; A101-C104 WeakPolarHBondContact O-CB 3.44Å; A101-C104 PolarHBondContact O-N 2.83Å; A101-C104 VanDerWaalsContact O-N 3.07Å; A101-L105 HydrophobicContact CB-CD1 3.87Å; A101-L105 HydrophobicContact CB-CG 4.14Å; A101-L105 WeakPolarHBondContact O-CG 3.32Å; A101-L105 PolarHBondContact O-N 3.48Å
102S98.5Very high97.4Very high0 Ų041.5 Ų41.50%022%0.219CC..Hα-helixtrans-50.3-51.6-168-61.70000113.6N74 D100 C104 L105 A106N74-S102 PolarHBondContact N-OG 3.26Å; D100-S102 VanDerWaalsContact C-N 3.34Å; D100-S102 WeakPolarHBondContact OD1-CB 3.19Å; D100-S102 PolarHBondContact OD1-N 3.12Å; D100-S102 PolarHBondContact OD1-OG 3.14Å; S102-C104 PolarHBondContact O-N 3.3Å; S102-L105 PolarHBondContact O-N 3.4Å; S102-A106 VanDerWaalsContact O-CB 3.3Å; S102-A106 WeakPolarHBondContact O-CB 3.3Å; S102-A106 PolarHBondContact O-N 3.03Å
103R98.4Very high97.4Very high14 Ų1442.1 Ų42.15%0.05323%0.225CC..Hα-helixtrans-64.2-42.4-179.1-178.3174.4-61.6-83.3-9.3112.7A101 L105 A106 K107 L114 D120 L122 D124A101-R103 PolarHBondContact O-N 2.89Å; R103-L105 VanDerWaalsContact C-N 3.35Å; R103-A106 PolarHBondContact O-N 3.33Å; R103-K107 HydrophobicContact CG-CD 4.2Å; R103-K107 WeakPolarHBondContact O-CB 3.15Å; R103-K107 WeakPolarHBondContact O-CG 3.37Å; R103-K107 PolarHBondContact O-N 2.77Å; R103-K107 VanDerWaalsContact O-N 3.09Å; R103-L114 WeakPolarHBondContact CD-O 3.35Å; R103-L114 HydrophobicContact CG-CB 4.37Å; R103-D120 IonicContact CZ-OD1 3.94Å; R103-D120 IonicContact CZ-OD2 3.74Å; R103-D120 VanDerWaalsContact CZ-OD2 3.24Å; R103-D120 IonicContact NE-OD1 2.7Å; R103-D120 IonicContact NE-OD2 3.68Å; R103-D120 PolarHBondContact NE-OD2 3.45Å; R103-D120 VanDerWaalsContact NH2-CG 3.25Å; R103-D120 IonicContact NH2-OD1 3.65Å; R103-D120 PolarHBondContact NH2-OD1 2.99Å; R103-D120 IonicContact NH2-OD2 2.78Å; R103-D120 PolarHBondContact NH2-OD2 3.12Å; R103-L122 HydrophobicContact CB-CD2 4.12Å; R103-D124 IonicContact CZ-OD1 3.57Å; R103-D124 IonicContact CZ-OD2 3.75Å; R103-D124 IonicContact NH1-OD1 2.72Å; R103-D124 PolarHBondContact NH1-OD1 2.53Å; R103-D124 IonicContact NH1-OD2 2.97Å; R103-D124 PolarHBondContact NH1-OD2 3.42Å; R103-D124 IonicContact NH2-OD1 3.3Å; R103-D124 PolarHBondContact NH2-OD1 2.92Å; R103-D124 IonicContact NH2-OD2 2.74Å
104C98.4Very high97.4Very high0 Ų039.4 Ų39.40%022%0.217CC..Hα-helixtrans-62.4-45178.6-76.30000110.9F96 A101 S102 K107 F108 S109 L115F96-C104 HydrophobicContact CD1-CB 4.42Å; F96-C104 HydrophobicContact CE1-CB 3.4Å; F96-C104 VanDerWaalsContact CE1-CB 3.4Å; F96-C104 HydrophobicContact CZ-CB 3.64Å; A101-C104 WeakPolarHBondContact O-CB 3.44Å; A101-C104 PolarHBondContact O-N 2.83Å; A101-C104 VanDerWaalsContact O-N 3.07Å; S102-C104 PolarHBondContact O-N 3.3Å; C104-K107 CarbonylContact O-C 3.6Å; C104-K107 PolarHBondContact O-N 2.9Å; C104-F108 PolarHBondContact O-N 2.97Å; C104-S109 VanDerWaalsContact CB-O 3.31Å; C104-S109 WeakPolarHBondContact CB-O 3.28Å; C104-S109 PolarHBondContact O-N 3.01Å; C104-L115 HydrophobicContact CB-CD2 4.44Å; C104-L115 VanDerWaalsContact SG-CD2 3.55Å
105L98.3Very high97.3Very high17 Ų1739.1 Ų39.19%0.08921%0.211CC..Hα-helixtrans-64.4-45.2177.2-67.5173000112V73 F96 A101 S102 R103 K107 F108 W136 F140V73-L105 HydrophobicContact CB-CD1 4.33Å; V73-L105 HydrophobicContact CG1-CD1 3.79Å; V73-L105 HydrophobicContact CG2-CD1 3.61Å; F96-L105 HydrophobicContact CE2-CD2 4.4Å; A101-L105 HydrophobicContact CB-CD1 3.87Å; A101-L105 HydrophobicContact CB-CG 4.14Å; A101-L105 WeakPolarHBondContact O-CG 3.32Å; A101-L105 PolarHBondContact O-N 3.48Å; S102-L105 PolarHBondContact O-N 3.4Å; R103-L105 VanDerWaalsContact C-N 3.35Å; L105-K107 PolarHBondContact O-N 2.93Å; L105-F108 PolarHBondContact O-N 3.34Å; L105-W136 HydrophobicContact CB-CB 4.47Å; L105-W136 HydrophobicContact CB-CG 4.06Å; L105-W136 HydrophobicContact CD1-CB 4.46Å; L105-W136 HydrophobicContact CD2-CD2 4.13Å; L105-W136 HydrophobicContact CD2-CE3 4.46Å; L105-W136 HydrophobicContact CD2-CG 4.43Å; L105-W136 PolarHBondContact O-NE1 2.53Å; L105-F140 HydrophobicContact CD1-CE2 4.21Å; L105-F140 HydrophobicContact CD1-CZ 4.45Å
106A98.3Very high97.3Very high2 Ų241.2 Ų41.22%0.01722%0.218CC..Hα-helixtrans-58.1-34.2177.100000112.7S102 R103 L125 E129 L133S102-A106 VanDerWaalsContact O-CB 3.3Å; S102-A106 WeakPolarHBondContact O-CB 3.3Å; S102-A106 PolarHBondContact O-N 3.03Å; R103-A106 PolarHBondContact O-N 3.33Å; A106-L125 HydrophobicContact CB-CD1 3.77Å; A106-L125 HydrophobicContact CB-CD2 4.3Å; A106-E129 HydrophobicContact CB-CB 4.27Å; A106-L133 HydrophobicContact CB-CB 4Å
107K98.2Very high97.1Very high72 Ų7245.9 Ų45.931%0.31324%0.243SC..THydrogen-bonded Turntrans-98.75.2-178.1-66.1-175.7178.3-68.90114.1R103 C104 L105 S109 L114 E129R103-K107 HydrophobicContact CG-CD 4.2Å; R103-K107 WeakPolarHBondContact O-CB 3.15Å; R103-K107 WeakPolarHBondContact O-CG 3.37Å; R103-K107 PolarHBondContact O-N 2.77Å; R103-K107 VanDerWaalsContact O-N 3.09Å; C104-K107 CarbonylContact O-C 3.6Å; C104-K107 PolarHBondContact O-N 2.9Å; L105-K107 PolarHBondContact O-N 2.93Å; K107-S109 PolarHBondContact O-N 3.31Å; K107-L114 HydrophobicContact CB-CD1 4.39Å; K107-L114 HydrophobicContact CD-CD1 4.08Å; K107-L114 HydrophobicContact CD-CD2 4.34Å; K107-E129 IonicContact NZ-OE1 2.65Å; K107-E129 PolarHBondContact NZ-OE1 3.12Å; K107-E129 IonicContact NZ-OE2 3.58Å
108F96.7Very high96.9Very high148 Ų14851.7 Ų51.765%0.64927%0.272SS*.THydrogen-bonded Turntrans49.142.8-173.6-65.3-78.1000113.5C104 L105 V132 W136C104-F108 PolarHBondContact O-N 2.97Å; L105-F108 PolarHBondContact O-N 3.34Å; F108-V132 HydrophobicContact CD2-CG1 4.18Å; F108-V132 HydrophobicContact CE1-CG1 4.12Å; F108-V132 HydrophobicContact CE2-CB 4.22Å; F108-V132 HydrophobicContact CE2-CG1 3.42Å; F108-V132 VanDerWaalsContact CE2-CG1 3.42Å; F108-V132 HydrophobicContact CE2-CG2 3.74Å; F108-V132 HydrophobicContact CZ-CB 4.39Å; F108-V132 HydrophobicContact CZ-CG1 3.38Å; F108-V132 HydrophobicContact CZ-CG2 4.07Å; F108-W136 HydrophobicContact CD1-CZ2 4.45Å; F108-W136 HydrophobicContact CE1-CZ2 4.15Å; F108-W136 AromaticContact CE1-NE1 3.74Å
109S96.5Very high96.8Very high32 Ų3256.1 Ų56.122%0.22429%0.29CS..  trans-122.3149.6-173.5-173.10000111.6C104 K107 D111C104-S109 VanDerWaalsContact CB-O 3.31Å; C104-S109 WeakPolarHBondContact CB-O 3.28Å; C104-S109 PolarHBondContact O-N 3.01Å; K107-S109 PolarHBondContact O-N 3.31Å; S109-D111 VanDerWaalsContact OG-CB 3.22Å; S109-D111 WeakPolarHBondContact OG-CB 3.2Å; S109-D111 PolarHBondContact OG-N 2.74Å
110T95.1Very high96.7Very high79 Ų7953.8 Ų53.849%0.48528%0.282SS..  trans-116.123.8168.248.30000110.3Y93 L95 F96 V112Y93-T110 HydrophobicContact CD1-CG2 4.08Å; Y93-T110 HydrophobicContact CE1-CG2 4.16Å; L95-T110 VanDerWaalsContact CD1-O 3.24Å; L95-T110 WeakPolarHBondContact CD1-O 3.2Å; L95-T110 HydrophobicContact CD2-CG2 4.31Å; F96-T110 HydrophobicContact CZ-CG2 4.15Å; T110-V112 PolarHBondContact O-N 3.36Å
111D96.3Very high96.6Very high80 Ų8057.8 Ų57.843%0.42830%0.303SS..  trans-75.4115.5174.9-172.9-15.2000110S109 S113 L114S109-D111 VanDerWaalsContact OG-CB 3.22Å; S109-D111 WeakPolarHBondContact OG-CB 3.2Å; S109-D111 PolarHBondContact OG-N 2.74Å; D111-S113 PolarHBondContact O-N 2.7Å; D111-S113 VanDerWaalsContact O-N 3.15Å; D111-S113 VanDerWaalsContact OD1-CB 3.31Å; D111-S113 WeakPolarHBondContact OD1-CB 3.49Å; D111-S113 PolarHBondContact OD1-N 2.93Å; D111-S113 PolarHBondContact OD1-OG 2.96Å; D111-S113 PolarHBondContact OD2-OG 3.18Å; D111-L114 HydrophobicContact CB-CD1 4.26Å; D111-L114 HydrophobicContact CB-CG 4.3Å; D111-L114 WeakPolarHBondContact O-CB 3.3Å; D111-L114 PolarHBondContact O-N 3.29Å
112V95.5Very high96.5Very high89 Ų8958.8 Ų58.854%0.53931%0.308SS..G310 helixtrans-58.7-27179.3-179.80000111.8L95 T110 L114 L115L95-V112 HydrophobicContact CB-CG2 4.37Å; L95-V112 HydrophobicContact CD1-CG2 3.85Å; T110-V112 PolarHBondContact O-N 3.36Å; V112-L114 PolarHBondContact O-N 3.14Å; V112-L115 WeakPolarHBondContact O-CB 3.36Å; V112-L115 PolarHBondContact O-N 3.11Å
113S96Very high96.4Very high93 Ų9363.2 Ų63.265%0.6534%0.339SS*.G310 helixtrans-66.5-17.417870.90000113.9D111D111-S113 PolarHBondContact O-N 2.7Å; D111-S113 VanDerWaalsContact O-N 3.15Å; D111-S113 VanDerWaalsContact OD1-CB 3.31Å; D111-S113 WeakPolarHBondContact OD1-CB 3.49Å; D111-S113 PolarHBondContact OD1-N 2.93Å; D111-S113 PolarHBondContact OD1-OG 2.96Å; D111-S113 PolarHBondContact OD2-OG 3.18Å
114L96.5Very high96.4Very high44 Ų4467.2 Ų67.223%0.2336%0.362CS..G310 helixtrans-86.4-11.1174-63.1176.6000112.9R103 K107 D111 V112R103-L114 WeakPolarHBondContact CD-O 3.35Å; R103-L114 HydrophobicContact CG-CB 4.37Å; K107-L114 HydrophobicContact CB-CD1 4.39Å; K107-L114 HydrophobicContact CD-CD1 4.08Å; K107-L114 HydrophobicContact CD-CD2 4.34Å; D111-L114 HydrophobicContact CB-CD1 4.26Å; D111-L114 HydrophobicContact CB-CG 4.3Å; D111-L114 WeakPolarHBondContact O-CB 3.3Å; D111-L114 PolarHBondContact O-N 3.29Å; V112-L114 PolarHBondContact O-N 3.14Å
115L95.9Very high96.3Very high15 Ų1568.2 Ų68.28%0.07937%0.367CS..  trans-83.2121174.2-65.6170.7000109.1L95 F96 D100 C104 V112L95-L115 HydrophobicContact CB-CD1 4.24Å; L95-L115 HydrophobicContact CD1-CD1 3.74Å; L95-L115 HydrophobicContact CG-CD1 4.17Å; L95-L115 VanDerWaalsContact O-CD1 3.28Å; L95-L115 WeakPolarHBondContact O-CD1 3.06Å; F96-L115 HydrophobicContact CD1-CD1 4.18Å; F96-L115 HydrophobicContact CD1-CD2 3.92Å; F96-L115 HydrophobicContact CE1-CD1 4.46Å; F96-L115 HydrophobicContact CE1-CD2 4.17Å; D100-L115 WeakPolarHBondContact O-CD2 3.31Å; C104-L115 HydrophobicContact CB-CD2 4.44Å; C104-L115 VanDerWaalsContact SG-CD2 3.55Å; V112-L115 WeakPolarHBondContact O-CB 3.36Å; V112-L115 PolarHBondContact O-N 3.11Å
116K95.1Very high96.3Very high89 Ų8971 Ų7139%0.38739%0.385SS..  trans-84.5148.9173.7-61.4-167.4-173.8168.60110.3R60 D118 D120R60-K116 PolarHBondContact NH2-O 2.9Å; K116-D118 VanDerWaalsContact CB-O 3.3Å; K116-D118 WeakPolarHBondContact CB-O 3.29Å; K116-D120 HydrophobicContact CD-CB 3.84Å; K116-D120 WeakPolarHBondContact CD-OD2 3.36Å; K116-D120 VanDerWaalsContact CE-CG 3.47Å; K116-D120 WeakPolarHBondContact CE-OD1 3.22Å; K116-D120 VanDerWaalsContact CE-OD2 3.23Å; K116-D120 WeakPolarHBondContact CE-OD2 3.4Å; K116-D120 HydrophobicContact CG-CB 4.47Å; K116-D120 VanDerWaalsContact NZ-CG 3.28Å; K116-D120 IonicContact NZ-OD1 3.74Å; K116-D120 PolarHBondContact NZ-OD1 3.46Å; K116-D120 IonicContact NZ-OD2 3.03Å; K116-D120 PolarHBondContact NZ-OD2 3.49Å
117D93.9Very high96.3Very high103 Ų10375.8 Ų75.855%0.55142%0.418SS*.SBendtrans-84.3-32.6170.2-68.6-34.2000111.1R60 R99R60-D117 IonicContact NH2-OD1 2.97Å; R99-D117 IonicContact CZ-OD1 3.48Å; R99-D117 VanDerWaalsContact CZ-OD1 3.3Å; R99-D117 IonicContact NH1-OD1 2.74Å; R99-D117 PolarHBondContact NH1-OD1 2.86Å; R99-D117 IonicContact NH2-OD1 3.24Å; R99-D117 PolarHBondContact NH2-OD1 3.11Å
118D94.5Very high96.3Very high133 Ų13376.4 Ų76.471%0.71143%0.431SS*.SBendtrans-95.6170.4173.7-57.8-51.6000112.7K116 D120K116-D118 VanDerWaalsContact CB-O 3.3Å; K116-D118 WeakPolarHBondContact CB-O 3.29Å; D118-D120 PolarHBondContact O-N 3.14Å
119Y95.5Very high96.4Very high93 Ų9371.2 Ų71.237%0.36541%0.409SS..  trans-56.5131.2179.7-176.3-91.6000112.1D121 P153Y119-D121 HydrophobicContact CE1-CB 4.34Å; Y119-P153 HydrophobicContact CD1-CG 4.28Å; Y119-P153 HydrophobicContact CG-CG 4.3Å
120D96.6Very high96.5Very high8 Ų872.5 Ų72.54%0.04341%0.412CS..  trans-104.7115.3178.8-161.4-9.4000110.4R103 K116 D118 L122R103-D120 IonicContact CZ-OD1 3.94Å; R103-D120 IonicContact CZ-OD2 3.74Å; R103-D120 VanDerWaalsContact CZ-OD2 3.24Å; R103-D120 IonicContact NE-OD1 2.7Å; R103-D120 IonicContact NE-OD2 3.68Å; R103-D120 PolarHBondContact NE-OD2 3.45Å; R103-D120 VanDerWaalsContact NH2-CG 3.25Å; R103-D120 IonicContact NH2-OD1 3.65Å; R103-D120 PolarHBondContact NH2-OD1 2.99Å; R103-D120 IonicContact NH2-OD2 2.78Å; R103-D120 PolarHBondContact NH2-OD2 3.12Å; K116-D120 HydrophobicContact CD-CB 3.84Å; K116-D120 WeakPolarHBondContact CD-OD2 3.36Å; K116-D120 VanDerWaalsContact CE-CG 3.47Å; K116-D120 WeakPolarHBondContact CE-OD1 3.22Å; K116-D120 VanDerWaalsContact CE-OD2 3.23Å; K116-D120 WeakPolarHBondContact CE-OD2 3.4Å; K116-D120 HydrophobicContact CG-CB 4.47Å; K116-D120 VanDerWaalsContact NZ-CG 3.28Å; K116-D120 IonicContact NZ-OD1 3.74Å; K116-D120 PolarHBondContact NZ-OD1 3.46Å; K116-D120 IonicContact NZ-OD2 3.03Å; K116-D120 PolarHBondContact NZ-OD2 3.49Å; D118-D120 PolarHBondContact O-N 3.14Å; D120-L122 HydrophobicContact CB-CD2 4.09Å; D120-L122 PolarHBondContact O-N 2.88Å; D120-L122 PolarHBondContact OD1-N 2.88Å
121D95.4Very high96.6Very high102 Ų10273.1 Ų73.155%0.54541%0.413SS..  trans-76-9.3177.970.215000113.8Y119 S123Y119-D121 HydrophobicContact CE1-CB 4.34Å; D121-S123 VanDerWaalsContact CG-OG 3.25Å; D121-S123 PolarHBondContact O-N 3.24Å; D121-S123 VanDerWaalsContact OD1-CB 3.28Å; D121-S123 WeakPolarHBondContact OD1-CB 3.26Å; D121-S123 PolarHBondContact OD1-N 2.97Å; D121-S123 PolarHBondContact OD1-OG 3.39Å; D121-S123 PolarHBondContact OD2-OG 2.91Å
122L97.1Very high96.7Very high21 Ų2170.4 Ų70.411%0.1140%0.399CS..  trans5616178.8-52.8172.5000114.1R103 D120 D124 L125 L133R103-L122 HydrophobicContact CB-CD2 4.12Å; D120-L122 HydrophobicContact CB-CD2 4.09Å; D120-L122 PolarHBondContact O-N 2.88Å; D120-L122 PolarHBondContact OD1-N 2.88Å; L122-D124 PolarHBondContact O-N 3.46Å; L122-L125 HydrophobicContact CB-CD1 3.94Å; L122-L125 HydrophobicContact CB-CG 4.27Å; L122-L125 HydrophobicContact CD2-CD1 4.19Å; L122-L125 HydrophobicContact CG-CD1 4.5Å; L122-L125 WeakPolarHBondContact O-CB 3.45Å; L122-L125 WeakPolarHBondContact O-CG 3.38Å; L122-L125 PolarHBondContact O-N 3.26Å; L122-L125 VanDerWaalsContact O-N 3.16Å; L122-L133 HydrophobicContact CD1-CD2 3.74Å
123S96.6Very high96.8Very high94 Ų9466.1 Ų66.166%0.65737%0.373SS*.THydrogen-bonded Turntrans-70.8-17.9-171.363.20000114D121D121-S123 VanDerWaalsContact CG-OG 3.25Å; D121-S123 PolarHBondContact O-N 3.24Å; D121-S123 VanDerWaalsContact OD1-CB 3.28Å; D121-S123 WeakPolarHBondContact OD1-CB 3.26Å; D121-S123 PolarHBondContact OD1-N 2.97Å; D121-S123 PolarHBondContact OD1-OG 3.39Å; D121-S123 PolarHBondContact OD2-OG 2.91Å
124D97.2Very high97Very high98 Ų9865.9 Ų65.952%0.52436%0.363SS..THydrogen-bonded Turntrans-89.9-3.2177.569.5-38.2000113.4R103 L122R103-D124 IonicContact CZ-OD1 3.57Å; R103-D124 IonicContact CZ-OD2 3.75Å; R103-D124 IonicContact NH1-OD1 2.72Å; R103-D124 PolarHBondContact NH1-OD1 2.53Å; R103-D124 IonicContact NH1-OD2 2.97Å; R103-D124 PolarHBondContact NH1-OD2 3.42Å; R103-D124 IonicContact NH2-OD1 3.3Å; R103-D124 PolarHBondContact NH2-OD1 2.92Å; R103-D124 IonicContact NH2-OD2 2.74Å; L122-D124 PolarHBondContact O-N 3.46Å
125L97.8Very high97Very high21 Ų2169.4 Ų69.411%0.1138%0.378CS..  trans-68.5139.3173.1-65.9-174.2000111A106 L122 E129 L133A106-L125 HydrophobicContact CB-CD1 3.77Å; A106-L125 HydrophobicContact CB-CD2 4.3Å; L122-L125 HydrophobicContact CB-CD1 3.94Å; L122-L125 HydrophobicContact CB-CG 4.27Å; L122-L125 HydrophobicContact CD2-CD1 4.19Å; L122-L125 HydrophobicContact CG-CD1 4.5Å; L122-L125 WeakPolarHBondContact O-CB 3.45Å; L122-L125 WeakPolarHBondContact O-CG 3.38Å; L122-L125 PolarHBondContact O-N 3.26Å; L122-L125 VanDerWaalsContact O-N 3.16Å; L125-E129 HydrophobicContact CB-CB 4.3Å; L125-E129 HydrophobicContact CD2-CB 4.33Å; L125-L133 HydrophobicContact CD1-CD2 4.23Å
126T98.3Very high97.1Very high76 Ų7672.2 Ų72.247%0.46639%0.388SS..  trans-70.9160.8172.1640000111.2S128 E129 M130T126-S128 PolarHBondContact O-N 2.8Å; T126-E129 WeakPolarHBondContact CB-OE2 3.49Å; T126-E129 WeakPolarHBondContact CG2-OE2 3.24Å; T126-E129 PolarHBondContact N-OE2 2.86Å; T126-E129 PolarHBondContact O-N 2.93Å; T126-E129 VanDerWaalsContact O-N 3.1Å; T126-E129 VanDerWaalsContact OG1-CD 3.29Å; T126-E129 VanDerWaalsContact OG1-CG 3.27Å; T126-E129 WeakPolarHBondContact OG1-CG 3.49Å; T126-E129 PolarHBondContact OG1-N 3.12Å; T126-E129 PolarHBondContact OG1-OE2 3.23Å; T126-M130 PolarHBondContact O-N 3.28Å
127S98.1Very high97.2Very high102 Ų10268.5 Ų68.571%0.71337%0.373SS*.Hα-helixtrans-57.8-32.7176.5-48.20000113.1N131S127-N131 VanDerWaalsContact O-CG 3.24Å; S127-N131 PolarHBondContact O-N 2.87Å; S127-N131 VanDerWaalsContact O-N 3.08Å; S127-N131 PolarHBondContact O-ND2 3.2Å
128S98.2Very high97.4Very high84 Ų8468.3 Ų68.359%0.58737%0.372SS*.Hα-helixtrans-69.2-43.7176.3-170.60000111.9T126 M130 N131 V132T126-S128 PolarHBondContact O-N 2.8Å; S128-M130 VanDerWaalsContact C-N 3.32Å; S128-N131 PolarHBondContact O-N 3.33Å; S128-V132 WeakPolarHBondContact O-CG2 3.48Å; S128-V132 PolarHBondContact O-N 2.92Å; S128-V132 VanDerWaalsContact O-N 3.14Å
129E98.5Very high97.4Very high39 Ų3966 Ų6618%0.18236%0.357CS..Hα-helixtrans-66.9-36.6177.5-69.5165.2142.200111.1A106 K107 L125 T126 V132 L133A106-E129 HydrophobicContact CB-CB 4.27Å; K107-E129 IonicContact NZ-OE1 2.65Å; K107-E129 PolarHBondContact NZ-OE1 3.12Å; K107-E129 IonicContact NZ-OE2 3.58Å; L125-E129 HydrophobicContact CB-CB 4.3Å; L125-E129 HydrophobicContact CD2-CB 4.33Å; T126-E129 WeakPolarHBondContact CB-OE2 3.49Å; T126-E129 WeakPolarHBondContact CG2-OE2 3.24Å; T126-E129 PolarHBondContact N-OE2 2.86Å; T126-E129 PolarHBondContact O-N 2.93Å; T126-E129 VanDerWaalsContact O-N 3.1Å; T126-E129 VanDerWaalsContact OG1-CD 3.29Å; T126-E129 VanDerWaalsContact OG1-CG 3.27Å; T126-E129 WeakPolarHBondContact OG1-CG 3.49Å; T126-E129 PolarHBondContact OG1-N 3.12Å; T126-E129 PolarHBondContact OG1-OE2 3.23Å; E129-V132 WeakPolarHBondContact O-CB 3.42Å; E129-V132 PolarHBondContact O-N 2.92Å; E129-L133 PolarHBondContact O-N 2.81Å
130M98.4Very high97.5Very high60 Ų6061.9 Ų61.930%0.29634%0.341SS..Hα-helixtrans-64.7-40.1175.1-168.958.1161.100112.1T126 S128 L133 M134T126-M130 PolarHBondContact O-N 3.28Å; S128-M130 VanDerWaalsContact C-N 3.32Å; M130-L133 WeakPolarHBondContact O-CB 3.25Å; M130-L133 PolarHBondContact O-N 2.83Å; M130-L133 HydrophobicContact SD-CD2 4.1Å; M130-M134 HydrophobicContact CE-CE 4.11Å; M130-M134 HydrophobicContact CG-CE 3.96Å; M130-M134 WeakPolarHBondContact O-CG 3.49Å; M130-M134 PolarHBondContact O-N 3.25Å
131N98.2Very high97.4Very high92 Ų9266 Ų6649%0.49236%0.36SS..Hα-helixtrans-62.2-43.5173.9-72.1-20000111.7S127 S128 L133 M134 E135S127-N131 VanDerWaalsContact O-CG 3.24Å; S127-N131 PolarHBondContact O-N 2.87Å; S127-N131 VanDerWaalsContact O-N 3.08Å; S127-N131 PolarHBondContact O-ND2 3.2Å; S128-N131 PolarHBondContact O-N 3.33Å; N131-L133 VanDerWaalsContact C-N 3.31Å; N131-L133 PolarHBondContact O-N 3.14Å; N131-M134 PolarHBondContact O-N 3.01Å; N131-E135 WeakPolarHBondContact O-CG 3.38Å; N131-E135 PolarHBondContact O-N 3.12Å
132V97.9Very high97.3Very high22 Ų2268 Ų6813%0.13337%0.366CS..Hα-helixtrans-58.5-44.4174.5167.80000110.8F108 S128 E129 M134 E135 W136F108-V132 HydrophobicContact CD2-CG1 4.18Å; F108-V132 HydrophobicContact CE1-CG1 4.12Å; F108-V132 HydrophobicContact CE2-CB 4.22Å; F108-V132 HydrophobicContact CE2-CG1 3.42Å; F108-V132 VanDerWaalsContact CE2-CG1 3.42Å; F108-V132 HydrophobicContact CE2-CG2 3.74Å; F108-V132 HydrophobicContact CZ-CB 4.39Å; F108-V132 HydrophobicContact CZ-CG1 3.38Å; F108-V132 HydrophobicContact CZ-CG2 4.07Å; S128-V132 WeakPolarHBondContact O-CG2 3.48Å; S128-V132 PolarHBondContact O-N 2.92Å; S128-V132 VanDerWaalsContact O-N 3.14Å; E129-V132 WeakPolarHBondContact O-CB 3.42Å; E129-V132 PolarHBondContact O-N 2.92Å; V132-M134 PolarHBondContact O-N 2.78Å; V132-E135 PolarHBondContact O-N 3.06Å; V132-W136 PolarHBondContact O-N 3.03Å
133L98.4Very high97.1Very high0 Ų070.5 Ų70.50%038%0.379CS..Hα-helixtrans-62.5-41.5176.8179.157.4000112.4V73 N74 A106 L122 L125 E129 M130 N131 E135 W136 A137V73-L133 HydrophobicContact CG1-CD1 3.93Å; N74-L133 HydrophobicContact CB-CD1 4.16Å; N74-L133 HydrophobicContact CB-CD2 4.22Å; N74-L133 HydrophobicContact CB-CG 4.01Å; A106-L133 HydrophobicContact CB-CB 4Å; L122-L133 HydrophobicContact CD1-CD2 3.74Å; L125-L133 HydrophobicContact CD1-CD2 4.23Å; E129-L133 PolarHBondContact O-N 2.81Å; M130-L133 WeakPolarHBondContact O-CB 3.25Å; M130-L133 PolarHBondContact O-N 2.83Å; M130-L133 HydrophobicContact SD-CD2 4.1Å; N131-L133 VanDerWaalsContact C-N 3.31Å; N131-L133 PolarHBondContact O-N 3.14Å; L133-E135 VanDerWaalsContact C-N 3.33Å; L133-E135 PolarHBondContact O-N 3.32Å; L133-W136 PolarHBondContact O-N 3.18Å; L133-A137 WeakPolarHBondContact O-CB 3.36Å; L133-A137 PolarHBondContact O-N 3.05Å
134M98.3Very high97Very high88 Ų8867.1 Ų67.143%0.43335%0.352SS..Hα-helixtrans-62.7-40.5176-72.3176.6179.100111.9M130 N131 V132 A137 L138M130-M134 HydrophobicContact CE-CE 4.11Å; M130-M134 HydrophobicContact CG-CE 3.96Å; M130-M134 WeakPolarHBondContact O-CG 3.49Å; M130-M134 PolarHBondContact O-N 3.25Å; N131-M134 PolarHBondContact O-N 3.01Å; V132-M134 PolarHBondContact O-N 2.78Å; M134-A137 PolarHBondContact O-N 3.17Å; M134-L138 WeakPolarHBondContact O-CG 3.38Å; M134-L138 PolarHBondContact O-N 2.77Å
135E97.8Very high96.9Very high118 Ų11866.2 Ų66.255%0.55135%0.351SS*.Hα-helixtrans-62.6-44174.3-71.6176.3-169.700111.6N131 V132 L133 L138 Q139N131-E135 WeakPolarHBondContact O-CG 3.38Å; N131-E135 PolarHBondContact O-N 3.12Å; V132-E135 PolarHBondContact O-N 3.06Å; L133-E135 VanDerWaalsContact C-N 3.33Å; L133-E135 PolarHBondContact O-N 3.32Å; E135-L138 PolarHBondContact O-N 3.04Å; E135-Q139 WeakPolarHBondContact O-CG 3.44Å; E135-Q139 PolarHBondContact O-N 3.32Å; E135-Q139 VanDerWaalsContact O-N 3.07Å
136W98Very high96.8Very high74 Ų7466.5 Ų66.528%0.2836%0.355SS..Hα-helixtrans-59.3-46.8172.7-80.9117.1000111.9V73 L105 F108 V132 L133 L138 Q139 F140V73-W136 HydrophobicContact CG1-CB 4.47Å; L105-W136 HydrophobicContact CB-CB 4.47Å; L105-W136 HydrophobicContact CB-CG 4.06Å; L105-W136 HydrophobicContact CD1-CB 4.46Å; L105-W136 HydrophobicContact CD2-CD2 4.13Å; L105-W136 HydrophobicContact CD2-CE3 4.46Å; L105-W136 HydrophobicContact CD2-CG 4.43Å; L105-W136 PolarHBondContact O-NE1 2.53Å; F108-W136 HydrophobicContact CD1-CZ2 4.45Å; F108-W136 HydrophobicContact CE1-CZ2 4.15Å; F108-W136 AromaticContact CE1-NE1 3.74Å; V132-W136 PolarHBondContact O-N 3.03Å; L133-W136 PolarHBondContact O-N 3.18Å; W136-L138 VanDerWaalsContact C-N 3.32Å; W136-L138 PolarHBondContact O-N 3.42Å; W136-Q139 VanDerWaalsContact CE3-OE1 3.31Å; W136-Q139 WeakPolarHBondContact O-CB 3.32Å; W136-Q139 PolarHBondContact O-N 3Å; W136-Q139 VanDerWaalsContact O-N 3.1Å; W136-F140 HydrophobicContact CE3-CD2 4.39Å; W136-F140 HydrophobicContact CE3-CE2 4Å; W136-F140 WeakPolarHBondContact O-CD2 3.42Å; W136-F140 PolarHBondContact O-N 3.19Å
137A97.2Very high96.7Very high11 Ų1163 Ų639%0.09133%0.333CS..Hα-helixtrans-58.2-43.217900000112.1V73 N74 L133 M134 Q139 F140 E141V73-A137 HydrophobicContact CG1-CB 4.26Å; N74-A137 HydrophobicContact CB-CB 3.92Å; L133-A137 WeakPolarHBondContact O-CB 3.36Å; L133-A137 PolarHBondContact O-N 3.05Å; M134-A137 PolarHBondContact O-N 3.17Å; A137-Q139 VanDerWaalsContact C-N 3.34Å; A137-Q139 PolarHBondContact O-N 3.01Å; A137-F140 PolarHBondContact O-N 3.12Å; A137-E141 PolarHBondContact O-N 3.47Å
138L96.8Very high96.7Very high98 Ų9858.2 Ų58.251%0.51330%0.3SS..Hα-helixtrans-62.6-39.4175.4-71.9172.1000112.4M134 E135 W136 Q142M134-L138 WeakPolarHBondContact O-CG 3.38Å; M134-L138 PolarHBondContact O-N 2.77Å; E135-L138 PolarHBondContact O-N 3.04Å; W136-L138 VanDerWaalsContact C-N 3.32Å; W136-L138 PolarHBondContact O-N 3.42Å; L138-Q142 WeakPolarHBondContact O-CG 3.47Å; L138-Q142 PolarHBondContact O-N 2.85Å
139Q95.3Very high96.6Very high86 Ų8658.4 Ų58.440%0.40229%0.288SS..Hα-helixtrans-66.1-44.3175.8-69.7174.110.900111.3E135 W136 A137 E141 Q142 L143E135-Q139 WeakPolarHBondContact O-CG 3.44Å; E135-Q139 PolarHBondContact O-N 3.32Å; E135-Q139 VanDerWaalsContact O-N 3.07Å; W136-Q139 VanDerWaalsContact CE3-OE1 3.31Å; W136-Q139 WeakPolarHBondContact O-CB 3.32Å; W136-Q139 PolarHBondContact O-N 3Å; W136-Q139 VanDerWaalsContact O-N 3.1Å; A137-Q139 VanDerWaalsContact C-N 3.34Å; A137-Q139 PolarHBondContact O-N 3.01Å; Q139-E141 VanDerWaalsContact C-N 3.33Å; Q139-E141 PolarHBondContact O-N 2.86Å; Q139-Q142 PolarHBondContact O-N 3.11Å; Q139-Q142 VanDerWaalsContact O-N 3.14Å; Q139-L143 HydrophobicContact CB-CD1 4.49Å; Q139-L143 WeakPolarHBondContact O-CB 3.47Å; Q139-L143 WeakPolarHBondContact O-CG 3.38Å; Q139-L143 PolarHBondContact O-N 2.82Å
140F96.9Very high96.6Very high6 Ų656.8 Ų56.83%0.02628%0.281CS..Hα-helixtrans-61.4-41.9178.5-90.6-106000111.8L71 V73 Y78 V80 Y87 L105 W136 A137 Q142 L143 Y144L71-F140 HydrophobicContact CD1-CD1 4.32Å; L71-F140 HydrophobicContact CD1-CE1 3.67Å; L71-F140 HydrophobicContact CD1-CZ 4.3Å; L71-F140 HydrophobicContact CD2-CE1 4.37Å; L71-F140 HydrophobicContact CG-CE1 4.38Å; V73-F140 HydrophobicContact CG2-CD1 3.82Å; V73-F140 HydrophobicContact CG2-CD2 4.2Å; V73-F140 HydrophobicContact CG2-CE1 3.89Å; V73-F140 HydrophobicContact CG2-CE2 4.23Å; V73-F140 HydrophobicContact CG2-CG 3.98Å; V73-F140 HydrophobicContact CG2-CZ 4.08Å; Y78-F140 HydrophobicContact CD1-CB 4.24Å; Y78-F140 HydrophobicContact CD2-CB 4Å; Y78-F140 AromaticContact CD2-CD1 3.99Å; Y78-F140 HydrophobicContact CD2-CD1 3.99Å; Y78-F140 HydrophobicContact CD2-CG 4.39Å; Y78-F140 HydrophobicContact CE1-CB 4.11Å; Y78-F140 HydrophobicContact CE2-CB 3.86Å; Y78-F140 HydrophobicContact CG-CB 4.18Å; Y78-F140 HydrophobicContact CG-CD1 4.09Å; V80-F140 HydrophobicContact CG1-CE1 4.12Å; Y87-F140 VanDerWaalsContact OH-CZ 3.23Å; Y87-F140 WeakPolarHBondContact OH-CZ 3.36Å; L105-F140 HydrophobicContact CD1-CE2 4.21Å; L105-F140 HydrophobicContact CD1-CZ 4.45Å; W136-F140 HydrophobicContact CE3-CD2 4.39Å; W136-F140 HydrophobicContact CE3-CE2 4Å; W136-F140 WeakPolarHBondContact O-CD2 3.42Å; W136-F140 PolarHBondContact O-N 3.19Å; A137-F140 PolarHBondContact O-N 3.12Å; F140-Q142 PolarHBondContact O-N 3.5Å; F140-L143 PolarHBondContact O-N 2.72Å; F140-L143 VanDerWaalsContact O-N 3.12Å; F140-Y144 HydrophobicContact CB-CD2 4.27Å; F140-Y144 AromaticContact CD1-CD2 3.42Å; F140-Y144 HydrophobicContact CD1-CD2 3.42Å; F140-Y144 VanDerWaalsContact CD1-CD2 3.42Å; F140-Y144 AromaticContact CD1-CE2 3.74Å; F140-Y144 HydrophobicContact CD1-CE2 3.74Å; F140-Y144 HydrophobicContact CD1-CG 4.49Å; F140-Y144 AromaticContact CE1-CD2 3.86Å; F140-Y144 HydrophobicContact CE1-CD2 3.86Å; F140-Y144 AromaticContact CE1-CE2 3.76Å; F140-Y144 HydrophobicContact CE1-CE2 3.76Å; F140-Y144 AromaticContact CG-CD2 3.93Å; F140-Y144 HydrophobicContact CG-CD2 3.93Å; F140-Y144 HydrophobicContact CG-CE2 4.18Å; F140-Y144 HydrophobicContact CZ-CE2 4.26Å; F140-Y144 PolarHBondContact O-N 2.89Å
141E95Very high96.5Very high95 Ų9555 Ų5544%0.44427%0.272SS..Hα-helixtrans-61-28.7175.4-172.4162.3-129.700113.7K76 Y78 A137 Q139K76-E141 IonicContact NZ-OE1 3.21Å; K76-E141 PolarHBondContact NZ-OE1 2.86Å; K76-E141 IonicContact NZ-OE2 2.78Å; Y78-E141 HydrophobicContact CE1-CB 4.25Å; A137-E141 PolarHBondContact O-N 3.47Å; Q139-E141 VanDerWaalsContact C-N 3.33Å; Q139-E141 PolarHBondContact O-N 2.86Å
142Q94.3Very high96.4Very high143 Ų14351 Ų5167%0.66825%0.253SS*.Hα-helixtrans-88.2-18.4176.2-67.2175.731.500114.2K38 L138 Q139 F140K38-Q142 PolarHBondContact NZ-O 2.88Å; L138-Q142 WeakPolarHBondContact O-CG 3.47Å; L138-Q142 PolarHBondContact O-N 2.85Å; Q139-Q142 PolarHBondContact O-N 3.11Å; Q139-Q142 VanDerWaalsContact O-N 3.14Å; F140-Q142 PolarHBondContact O-N 3.5Å
143L91.5Very high96.1Very high73 Ų7355.4 Ų55.438%0.38228%0.282SS..Hα-helixtrans-103.6-32.9-172.7-71175000112.7K38 Q139 F140K38-L143 HydrophobicContact CD-CD2 4.49Å; Q139-L143 HydrophobicContact CB-CD1 4.49Å; Q139-L143 WeakPolarHBondContact O-CB 3.47Å; Q139-L143 WeakPolarHBondContact O-CG 3.38Å; Q139-L143 PolarHBondContact O-N 2.82Å; F140-L143 PolarHBondContact O-N 2.72Å; F140-L143 VanDerWaalsContact O-N 3.12Å
144Y95.6Very high95.7Very high23 Ų2364.8 Ų64.89%0.0932%0.323CS..SBendtrans-132.6144-168.4-53.9-68.3000111.6V80 K83 Y87 F140 C146V80-Y144 HydrophobicContact CB-CD1 4.25Å; V80-Y144 HydrophobicContact CB-CE1 4.33Å; V80-Y144 HydrophobicContact CG1-CD1 3.88Å; V80-Y144 HydrophobicContact CG1-CD2 4.01Å; V80-Y144 HydrophobicContact CG1-CE1 4.13Å; V80-Y144 HydrophobicContact CG1-CE2 4.26Å; V80-Y144 HydrophobicContact CG1-CG 3.82Å; K83-Y144 HydrophobicContact CB-CE1 4.22Å; K83-Y144 HydrophobicContact CG-CE1 3.59Å; Y87-Y144 HydrophobicContact CE2-CE1 4.44Å; F140-Y144 HydrophobicContact CB-CD2 4.27Å; F140-Y144 AromaticContact CD1-CD2 3.42Å; F140-Y144 HydrophobicContact CD1-CD2 3.42Å; F140-Y144 VanDerWaalsContact CD1-CD2 3.42Å; F140-Y144 AromaticContact CD1-CE2 3.74Å; F140-Y144 HydrophobicContact CD1-CE2 3.74Å; F140-Y144 HydrophobicContact CD1-CG 4.49Å; F140-Y144 AromaticContact CE1-CD2 3.86Å; F140-Y144 HydrophobicContact CE1-CD2 3.86Å; F140-Y144 AromaticContact CE1-CE2 3.76Å; F140-Y144 HydrophobicContact CE1-CE2 3.76Å; F140-Y144 AromaticContact CG-CD2 3.93Å; F140-Y144 HydrophobicContact CG-CD2 3.93Å; F140-Y144 HydrophobicContact CG-CE2 4.18Å; F140-Y144 HydrophobicContact CZ-CE2 4.26Å; F140-Y144 PolarHBondContact O-N 2.89Å; Y144-C146 PolarHBondContact O-N 2.67Å
145P95.2Very high95.4Very high80 Ų8064.3 Ų64.352%0.51932%0.322SS..  trans-59.2122.8171-21.733.1000110.9Y78 D79Y78-P145 WeakPolarHBondContact CA-O 3.25Å; D79-P145 PolarHBondContact N-O 3.07Å; D79-P145 WeakPolarHBondContact O-CD 3.39Å
146C95.9Very high95Very high26 Ų2666.5 Ų66.518%0.17633%0.332CS..EExtended strand (participates in β ladder)trans-74.4123.1167.7-178.20000109.1R51 I77 Y78 Y144R51-C146 PolarHBondContact NE-O 3.36Å; R51-C146 PolarHBondContact NH2-O 3.42Å; R51-C146 VanDerWaalsContact NH2-O 3.11Å; I77-C146 CarbonylContact O-C 3.41Å; I77-C146 WeakPolarHBondContact O-CA 3.38Å; Y78-C146 HydrophobicContact CD1-CB 4.09Å; Y78-C146 HydrophobicContact CE1-CB 3.89Å; Y144-C146 PolarHBondContact O-N 2.67Å
147V95.8Very high94.7Very high3 Ų367 Ų672%0.01835%0.345CS..EExtended strand (participates in β ladder)trans-100.4-15.5-177.5-61.40000113L49 R51 H52 M54 I77 D79L49-V147 HydrophobicContact CB-CG1 4.05Å; L49-V147 HydrophobicContact CD2-CB 4.28Å; L49-V147 HydrophobicContact CD2-CG1 4.02Å; L49-V147 HydrophobicContact CD2-CG2 4.46Å; L49-V147 HydrophobicContact CG-CG1 4.37Å; R51-V147 CarbonylContact C-O 3.57Å; R51-V147 WeakPolarHBondContact CA-O 3.43Å; H52-V147 PolarHBondContact N-O 3.24Å; H52-V147 VanDerWaalsContact O-O 3.09Å; M54-V147 HydrophobicContact CE-CB 4.41Å; M54-V147 HydrophobicContact CE-CG2 3.54Å; I77-V147 HydrophobicContact CB-CG2 3.69Å; I77-V147 HydrophobicContact CG2-CG2 3.39Å; I77-V147 WeakPolarHBondContact O-CG2 3.29Å; I77-V147 PolarHBondContact O-N 3.3Å; D79-V147 HydrophobicContact CB-CG1 3.79Å
148G96.9Very high94.3Very high2 Ų270.6 Ų70.62%0.02136%0.363CS..EExtended strand (participates in β ladder)trans161.4-164.7178.200000111.7H52 I77H52-G148 WeakPolarHBondContact O-CA 3.37Å; I77-G148 PolarHBondContact N-O 3.49Å
149R97.4Very high93.8Very high87 Ų8772.5 Ų72.533%0.32838%0.378SS..EExtended strand (participates in β ladder)trans-102.7151.1173.3-55.9177.8-60.8153.52.8110.7D53 M54 G75 I77 D158D53-R149 WeakPolarHBondContact CA-O 3.22Å; D53-R149 WeakPolarHBondContact OD1-CA 3.43Å; D53-R149 VanDerWaalsContact OD1-CB 3.25Å; D53-R149 WeakPolarHBondContact OD1-CB 3.38Å; D53-R149 PolarHBondContact OD1-N 3.48Å; D53-R149 IonicContact OD1-NE 3.12Å; D53-R149 IonicContact OD2-CZ 2.8Å; D53-R149 IonicContact OD2-NE 3.55Å; D53-R149 PolarHBondContact OD2-NE 3.3Å; D53-R149 IonicContact OD2-NH2 3.24Å; D53-R149 PolarHBondContact OD2-NH2 2.65Å; M54-R149 PolarHBondContact N-O 2.85Å; M54-R149 VanDerWaalsContact N-O 3.07Å; G75-R149 CarbonylContact O-C 3.35Å; G75-R149 VanDerWaalsContact O-CA 3.25Å; G75-R149 WeakPolarHBondContact O-CA 3.49Å; G75-R149 WeakPolarHBondContact O-CB 3.13Å; I77-R149 WeakPolarHBondContact CD1-O 3.44Å; R149-D158 IonicContact CZ-OD1 3.15Å; R149-D158 IonicContact CZ-OD2 2.95Å; R149-D158 IonicContact NE-OD2 3.98Å; R149-D158 PolarHBondContact NE-OD2 3.44Å; R149-D158 IonicContact NH1-OD2 3.37Å; R149-D158 IonicContact NH2-OD1 2.75Å; R149-D158 PolarHBondContact NH2-OD1 3.4Å; R149-D158 VanDerWaalsContact NH2-OD1 3.15Å; R149-D158 IonicContact NH2-OD2 3.82Å; R149-D158 PolarHBondContact NH2-OD2 2.9Å
150L98Very high93.2Very high6 Ų672.1 Ų72.13%0.03137%0.373CS..BIsolated β-bridgetrans-81.6118.7166.4-177.867.5000108.2M54 L56 L59 A72 G75 I77 D100 G152M54-L150 WeakPolarHBondContact O-CA 3.31Å; L56-L150 HydrophobicContact CD2-CD1 3.86Å; L56-L150 HydrophobicContact CD2-CD2 3.93Å; L56-L150 HydrophobicContact CD2-CG 4.49Å; L56-L150 HydrophobicContact CG-CD1 4Å; L56-L150 HydrophobicContact CG-CD2 4.36Å; L59-L150 HydrophobicContact CD2-CD1 3.98Å; A72-L150 HydrophobicContact CB-CB 4.04Å; A72-L150 HydrophobicContact CB-CD2 3.76Å; A72-L150 HydrophobicContact CB-CG 4.35Å; G75-L150 PolarHBondContact O-N 3.27Å; I77-L150 HydrophobicContact CD1-CB 4.35Å; I77-L150 HydrophobicContact CD1-CD1 4.39Å; I77-L150 HydrophobicContact CG1-CB 4.11Å; D100-L150 HydrophobicContact CB-CD2 3.95Å; L150-G152 PolarHBondContact O-N 2.9Å
151L97Very high92.4Very high21 Ų2175.4 Ų75.411%0.1139%0.394CS..PPolyproline II helixtrans-73.2127.3-178.1-64.9171.9000110.9D53 M54 D55 D155 P157D53-L151 HydrophobicContact CB-CD1 4.07Å; D53-L151 HydrophobicContact CB-CD2 3.76Å; D53-L151 HydrophobicContact CB-CG 3.87Å; M54-L151 PolarHBondContact O-N 2.9Å; D55-L151 HydrophobicContact CB-CB 4.45Å; L151-D155 HydrophobicContact CB-CB 4.32Å; L151-D155 HydrophobicContact CD2-CB 3.73Å; L151-P157 HydrophobicContact CD1-CB 4.3Å; L151-P157 HydrophobicContact CD1-CG 3.77Å
152G94.6Very high91.1Very high9 Ų977 Ų779%0.09340%0.402CS..PPolyproline II helixtrans-74.1171.8164.200000112.5L150 K154 D155L150-G152 PolarHBondContact O-N 2.9Å; G152-K154 PolarHBondContact O-N 3.07Å; G152-D155 VanDerWaalsContact CA-OD2 3.29Å; G152-D155 WeakPolarHBondContact CA-OD2 3.1Å; G152-D155 PolarHBondContact N-OD2 3.49Å; G152-D155 PolarHBondContact O-N 3.41Å; G152-D155 VanDerWaalsContact O-N 3.07Å
153P91.8Very high89.5Confident114 Ų11475.7 Ų75.774%0.7440%0.399SS*.THydrogen-bonded Turntrans-61.3-11.6-173.7-24.634.1000115.9Y119Y119-P153 HydrophobicContact CD1-CG 4.28Å; Y119-P153 HydrophobicContact CG-CG 4.3Å
154K90.3Very high87.7Confident197 Ų19779.4 Ų79.486%0.85742%0.415SS*.THydrogen-bonded Turntrans-1285.3-178.3-62.2-177.5-178.4174.80112.7G152G152-K154 PolarHBondContact O-N 3.07Å
155D91.9Very high85.6Confident78 Ų7882.4 Ų82.442%0.41743%0.43SS..PPolyproline II helixtrans-85137.5-177.6-62.5-24.9000108.8L151 G152L151-D155 HydrophobicContact CB-CB 4.32Å; L151-D155 HydrophobicContact CD2-CB 3.73Å; G152-D155 VanDerWaalsContact CA-OD2 3.29Å; G152-D155 WeakPolarHBondContact CA-OD2 3.1Å; G152-D155 PolarHBondContact N-OD2 3.49Å; G152-D155 PolarHBondContact O-N 3.41Å; G152-D155 VanDerWaalsContact O-N 3.07Å
156E89.8Confident83.3Confident164 Ų16482.4 Ų82.477%0.76643%0.431SS*.PPolyproline II helixtrans-95.7142.9171.4-66.6-176.317600109D158E156-D158 PolarHBondContact O-N 2.87Å
157P90.9Very high81Confident85 Ų8587.5 Ų87.555%0.55246%0.456SS*.PPolyproline II helixtrans-59.9132.7176.1-17.826.7000112D53 L151D53-P157 HydrophobicContact CB-CB 4.23Å; L151-P157 HydrophobicContact CD1-CB 4.3Å; L151-P157 HydrophobicContact CD1-CG 3.77Å
158D88.9Confident78.7Confident87 Ų8792.3 Ų92.347%0.46549%0.49SS..PPolyproline II helixtrans-74149.6171.7-73.2-18.2000111.2D53 R149 E156 Y160D53-D158 PolarHBondContact OD2-N 2.87Å; R149-D158 IonicContact CZ-OD1 3.15Å; R149-D158 IonicContact CZ-OD2 2.95Å; R149-D158 IonicContact NE-OD2 3.98Å; R149-D158 PolarHBondContact NE-OD2 3.44Å; R149-D158 IonicContact NH1-OD2 3.37Å; R149-D158 IonicContact NH2-OD1 2.75Å; R149-D158 PolarHBondContact NH2-OD1 3.4Å; R149-D158 VanDerWaalsContact NH2-OD1 3.15Å; R149-D158 IonicContact NH2-OD2 3.82Å; R149-D158 PolarHBondContact NH2-OD2 2.9Å; E156-D158 PolarHBondContact O-N 2.87Å; D158-Y160 HydrophobicContact CB-CE2 4.28Å; D158-Y160 WeakPolarHBondContact O-CD2 3.49Å
159V86.3Confident76.5Confident137 Ų13797.3 Ų97.383%0.8353%0.525SS*.  trans-89.3109.7174.7-178.50000109.3
160Y83.7Confident73.7Confident78 Ų7897.2 Ų97.231%0.30654%0.537SS..  trans-85.4123.8174-65-85000110.8R51 D53 D158R51-Y160 HydrophobicContact CB-CD1 3.91Å; R51-Y160 HydrophobicContact CB-CD2 4.35Å; R51-Y160 HydrophobicContact CB-CE1 4.37Å; R51-Y160 HydrophobicContact CB-CG 3.89Å; D53-Y160 PolarHBondContact OD1-OH 3.17Å; D158-Y160 HydrophobicContact CB-CE2 4.28Å; D158-Y160 WeakPolarHBondContact O-CD2 3.49Å
161T78.9Confident70.9Confident75 Ų75103.3 Ų103.346%0.4657%0.57SS.*  trans-86.8139.7169.461.60000110D163T161-D163 WeakPolarHBondContact CB-OD1 3.41Å; T161-D163 WeakPolarHBondContact CB-OD2 3.38Å; T161-D163 PolarHBondContact O-N 2.95Å; T161-D163 PolarHBondContact OG1-OD2 2.8Å
162E68.1Low68.4Low129 Ų129111.3 Ų111.360%0.60361%0.607SS**G310 helixtrans-66.1-20.2-173.5-62-179.9169.700112.3K50 E164 E165K50-E162 IonicContact NZ-OE1 2.67Å; K50-E162 PolarHBondContact NZ-OE1 3.03Å; E162-E164 VanDerWaalsContact C-N 3.29Å; E162-E164 PolarHBondContact O-N 3.24Å; E162-E165 PolarHBondContact O-N 2.79Å
163D60.3Low66Low116 Ų116116 Ų11662%0.6263%0.634SS**G310 helixtrans-64.4-25.4-172.76.9-50.9000113.9T161 S166T161-D163 WeakPolarHBondContact CB-OD1 3.41Å; T161-D163 WeakPolarHBondContact CB-OD2 3.38Å; T161-D163 PolarHBondContact O-N 2.95Å; T161-D163 PolarHBondContact OG1-OD2 2.8Å; D163-S166 PolarHBondContact O-OG 3.37Å
164E54.5Low63.6Low151 Ų151116.7 Ų116.771%0.70663%0.631SS**G310 helixtrans-78.1-18.3-179.5-63.9-117.7155.400113.4E162 S166E162-E164 VanDerWaalsContact C-N 3.29Å; E162-E164 PolarHBondContact O-N 3.24Å; E164-S166 VanDerWaalsContact C-N 3.34Å; E164-S166 PolarHBondContact O-N 2.75Å
165E52.8Low61.6Low86 Ų86116.9 Ų116.940%0.40263%0.628SS.*G310 helixtrans-73.2-24-173-69.2-174.8166.300113.5E162 L167E162-E165 PolarHBondContact O-N 2.79Å; E165-L167 PolarHBondContact O-N 3.15Å
166S46.7Very low59.5Low80 Ų80119.4 Ų119.456%0.55964%0.641SS**G310 helixtrans-74.1-22-175.165.50000114.5D163 E164D163-S166 PolarHBondContact O-OG 3.37Å; E164-S166 VanDerWaalsContact C-N 3.34Å; E164-S166 PolarHBondContact O-N 2.75Å
167L46.6Very low57.5Low132 Ų132117.4 Ų117.469%0.69164%0.64SS**G310 helixtrans-85.1-16.5-172.9-105.883.4000114.9E165E165-L167 PolarHBondContact O-N 3.15Å
168S48.3Very low55.5Low104 Ų104125.8 Ų125.873%0.72767%0.667SS**SBendtrans-82.8-21.5-174.1-177.80000114.2
169S49.1Very low53.8Low108 Ų108127.7 Ų127.776%0.75568%0.678SS**SBendtrans-90.9-13.8-173.671.40000114.5
170S38.7Very low52.1Low84 Ų84127.2 Ų127.259%0.58767%0.669SS**  trans-98.43.2-171.649.20000115.8E172S170-E172 PolarHBondContact O-N 3.19Å
171N39.2Very low50.3Low135 Ų135129.9 Ų129.972%0.72269%0.69SS**  trans-90.451.7175-70.7-21.4000111.7V173N171-V173 PolarHBondContact O-N 3.29Å
172E44.5Very low48.6Very low188 Ų188133.2 Ų133.288%0.87970%0.703SS**  trans-84.391.1162.5-155.6168.5-158.800107.2S170 D174S170-E172 PolarHBondContact O-N 3.19Å; E172-D174 PolarHBondContact O-N 3.27Å; E172-D174 VanDerWaalsContact O-N 3.12Å
173V45.5Very low47.4Very low109 Ų109133.4 Ų133.466%0.66171%0.709SS**  trans-68106.9178.4175.60000108.4N171 Y175N171-V173 PolarHBondContact O-N 3.29Å; V173-Y175 HydrophobicContact CG1-CD2 4.06Å; V173-Y175 HydrophobicContact CG1-CE2 4.11Å; V173-Y175 PolarHBondContact O-N 3.49Å
174D41.7Very low46.6Very low127 Ų127134.6 Ų134.668%0.67972%0.715SS**  trans-57.393.7169.4-174.421.4000110.2E172 N176E172-D174 PolarHBondContact O-N 3.27Å; E172-D174 VanDerWaalsContact O-N 3.12Å; D174-N176 PolarHBondContact O-N 3.44Å; D174-N176 VanDerWaalsContact O-N 3.07Å
175Y47.3Very low46Very low202 Ų202133.4 Ų133.479%0.79272%0.716SS**  trans-79.871.3164.4-96.6-84000109V173 V177V173-Y175 HydrophobicContact CG1-CD2 4.06Å; V173-Y175 HydrophobicContact CG1-CE2 4.11Å; V173-Y175 PolarHBondContact O-N 3.49Å; Y175-V177 VanDerWaalsContact C-N 3.34Å; Y175-V177 HydrophobicContact CD1-CG2 4.16Å; Y175-V177 PolarHBondContact O-N 3.02Å
176N48.2Very low45.5Very low130 Ų130137.1 Ų137.170%0.69574%0.74SS**  trans-86.181.6165.8-136.2-32.5000108.9D174D174-N176 PolarHBondContact O-N 3.44Å; D174-N176 VanDerWaalsContact O-N 3.07Å
177V46.9Very low45.4Very low123 Ų123141.8 Ų141.875%0.74576%0.755SS**  trans-88112.8165.3-179.30000107.4Y175Y175-V177 VanDerWaalsContact C-N 3.34Å; Y175-V177 HydrophobicContact CD1-CG2 4.16Å; Y175-V177 PolarHBondContact O-N 3.02Å
178K48.7Very low45.3Very low260 Ų260142.7 Ų142.7100%1.1376%0.761SS**  trans-97.50165.2-166.3175.9-173.2176.20110.1

Retrieved 178 of 178 residues in 100.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).