A0A077ZCU9_TRITR Loading...

UDP-N-acetylglucosamine transferase subunit ALG14

AlphaFold DB , UniProt , Accession A0A077ZCU9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 216 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.7Very low61.4Low211 Ų211126.2 Ų126.2100%1.03964%0.637SS**  081.90-142.8178.1-140.800107.1W3M1-W3 PolarHBondContact O-N 3.5Å; M1-W3 HydrophobicContact SD-CZ2 4.46Å
2L53.5Low62.8Low179 Ų179125.7 Ų125.794%0.93763%0.633SS**  trans-90.3101176.3-80.1163000106.9Y4L2-Y4 VanDerWaalsContact C-N 3.35Å; L2-Y4 PolarHBondContact O-N 3.06Å
3W55Low64Low213 Ų213125.9 Ų125.981%0.80763%0.628SS**  trans-71.793.3170.6-66.283.4000107.3M1 E5M1-W3 PolarHBondContact O-N 3.5Å; M1-W3 HydrophobicContact SD-CZ2 4.46Å; W3-E5 PolarHBondContact O-N 3.14Å; W3-E5 VanDerWaalsContact O-N 3.14Å
4Y60.3Low65.3Low201 Ų201127.4 Ų127.479%0.78863%0.629SS**  trans-74.9100.9172.8-156.6-94.1000107.5L2L2-Y4 VanDerWaalsContact C-N 3.35Å; L2-Y4 PolarHBondContact O-N 3.06Å
5E61.2Low66.7Low111 Ų111131.2 Ų131.252%0.51964%0.635SS.*  trans-49.1125.2-175.3-77.4-83.2152.300113.1W3 I7 T8W3-E5 PolarHBondContact O-N 3.14Å; W3-E5 VanDerWaalsContact O-N 3.14Å; E5-I7 PolarHBondContact O-N 3.01Å; E5-I7 WeakPolarHBondContact OE2-CD1 3.1Å; E5-I7 WeakPolarHBondContact OE2-CG1 3.49Å; E5-T8 PolarHBondContact O-OG1 3.06Å
6P63.6Low68.1Low95 Ų95129.4 Ų129.462%0.61763%0.629SS**THydrogen-bonded Turntrans-66.3-1175.326.6-32.8000114T8 T9P6-T8 VanDerWaalsContact C-N 3.29Å; P6-T8 PolarHBondContact O-N 3.49Å; P6-T9 PolarHBondContact O-OG1 3.41Å
7I60.6Low69.4Low107 Ų107125.9 Ų125.955%0.54961%0.614SS.*Hα-helixtrans-68.6-27.7179.1-59.6177.3000111.9E5 T9 T10 A11E5-I7 PolarHBondContact O-N 3.01Å; E5-I7 WeakPolarHBondContact OE2-CD1 3.1Å; E5-I7 WeakPolarHBondContact OE2-CG1 3.49Å; I7-T9 PolarHBondContact O-N 3.43Å; I7-T10 PolarHBondContact O-OG1 3.01Å; I7-T10 VanDerWaalsContact O-OG1 3.1Å; I7-A11 WeakPolarHBondContact O-CB 3.25Å; I7-A11 PolarHBondContact O-N 3.18Å
8T64.9Low70.7Confident65 Ų65123.4 Ų123.440%0.39961%0.608SS.*Hα-helixtrans-67.9-36.9-179.453.60000112.6E5 P6 M12E5-T8 PolarHBondContact O-OG1 3.06Å; P6-T8 VanDerWaalsContact C-N 3.29Å; P6-T8 PolarHBondContact O-N 3.49Å; T8-M12 VanDerWaalsContact O-CG 3.25Å; T8-M12 WeakPolarHBondContact O-CG 3.11Å; T8-M12 PolarHBondContact O-N 3.34Å
9T67.5Low71.8Confident92 Ų92123.4 Ų123.456%0.56461%0.61SS**Hα-helixtrans-74.8-38.4-177.457.20000112.2P6 I7 M12 F13P6-T9 PolarHBondContact O-OG1 3.41Å; I7-T9 PolarHBondContact O-N 3.43Å; T9-M12 PolarHBondContact O-N 3.1Å; T9-F13 PolarHBondContact O-N 3.47Å; T9-F13 VanDerWaalsContact O-N 3.08Å
10T71.7Confident72.9Confident75 Ų75123.3 Ų123.346%0.4661%0.606SS.*Hα-helixtrans-66.6-45.3176.4570000110.8I7 M12 F13 F14I7-T10 PolarHBondContact O-OG1 3.01Å; I7-T10 VanDerWaalsContact O-OG1 3.1Å; T10-M12 PolarHBondContact O-N 2.88Å; T10-F13 WeakPolarHBondContact O-CB 3.23Å; T10-F13 PolarHBondContact O-N 3.35Å; T10-F14 WeakPolarHBondContact O-CD2 3.37Å; T10-F14 PolarHBondContact O-N 3.18Å; T10-F14 VanDerWaalsContact O-N 3.12Å
11A73.6Confident73.9Confident39 Ų39122.8 Ų122.832%0.32260%0.601SS.*Hα-helixtrans-59.9-43.7175.500000112.4I7 F13 F14 Y15I7-A11 WeakPolarHBondContact O-CB 3.25Å; I7-A11 PolarHBondContact O-N 3.18Å; A11-F13 VanDerWaalsContact C-N 3.31Å; A11-F13 PolarHBondContact O-N 3.19Å; A11-F14 WeakPolarHBondContact O-CB 3.42Å; A11-F14 PolarHBondContact O-N 3.08Å; A11-Y15 WeakPolarHBondContact O-CD2 3.35Å; A11-Y15 PolarHBondContact O-N 3.4Å
12M78Confident76.4Confident120 Ų120114.4 Ų114.459%0.59157%0.569SS**Hα-helixtrans-60.7-40.4175.4-74.1-175.4101.900112.1T8 T9 T10 F14 Y15 L16T8-M12 VanDerWaalsContact O-CG 3.25Å; T8-M12 WeakPolarHBondContact O-CG 3.11Å; T8-M12 PolarHBondContact O-N 3.34Å; T9-M12 PolarHBondContact O-N 3.1Å; T10-M12 PolarHBondContact O-N 2.88Å; M12-F14 VanDerWaalsContact C-N 3.31Å; M12-F14 PolarHBondContact O-N 3.19Å; M12-Y15 PolarHBondContact O-N 3.12Å; M12-L16 HydrophobicContact CB-CD1 4.38Å; M12-L16 WeakPolarHBondContact O-CB 3.04Å; M12-L16 VanDerWaalsContact O-CG 3.23Å; M12-L16 WeakPolarHBondContact O-CG 3.49Å; M12-L16 PolarHBondContact O-N 3.45Å
13F78.8Confident78.3Confident129 Ų129110.9 Ų110.957%0.56655%0.55SS**Hα-helixtrans-60.8-40176.3-172.2-96000112.2T9 T10 A11 Y15 L16 L17T9-F13 PolarHBondContact O-N 3.47Å; T9-F13 VanDerWaalsContact O-N 3.08Å; T10-F13 WeakPolarHBondContact O-CB 3.23Å; T10-F13 PolarHBondContact O-N 3.35Å; A11-F13 VanDerWaalsContact C-N 3.31Å; A11-F13 PolarHBondContact O-N 3.19Å; F13-Y15 VanDerWaalsContact C-N 3.26Å; F13-Y15 PolarHBondContact O-N 3.11Å; F13-L16 PolarHBondContact O-N 3.49Å; F13-L17 HydrophobicContact CE1-CD2 3.9Å; F13-L17 HydrophobicContact CZ-CD1 4.29Å; F13-L17 HydrophobicContact CZ-CD2 4.03Å; F13-L17 WeakPolarHBondContact O-CB 3.19Å; F13-L17 PolarHBondContact O-N 3.31Å; F13-L17 VanDerWaalsContact O-N 3.11Å
14F81.9Confident80.2Confident147 Ų147103.3 Ų103.365%0.64553%0.525SS*.Hα-helixtrans-62.2-28176.5-77.8-70.9000113.8T10 A11 M12 P18T10-F14 WeakPolarHBondContact O-CD2 3.37Å; T10-F14 PolarHBondContact O-N 3.18Å; T10-F14 VanDerWaalsContact O-N 3.12Å; A11-F14 WeakPolarHBondContact O-CB 3.42Å; A11-F14 PolarHBondContact O-N 3.08Å; M12-F14 VanDerWaalsContact C-N 3.31Å; M12-F14 PolarHBondContact O-N 3.19Å; F14-P18 WeakPolarHBondContact O-CD 3.39Å; F14-P18 WeakPolarHBondContact O-CG 3.49Å
15Y86.2Confident81.9Confident184 Ų184100.9 Ų100.972%0.72252%0.519SS*.Hα-helixtrans-92.7-37.8176.5-66-67.7000113.4A11 M12 F13 P18 L19A11-Y15 WeakPolarHBondContact O-CD2 3.35Å; A11-Y15 PolarHBondContact O-N 3.4Å; M12-Y15 PolarHBondContact O-N 3.12Å; F13-Y15 VanDerWaalsContact C-N 3.26Å; F13-Y15 PolarHBondContact O-N 3.11Å; Y15-P18 WeakPolarHBondContact O-CD 3.41Å; Y15-L19 WeakPolarHBondContact O-CB 3.49Å; Y15-L19 PolarHBondContact O-N 3.44Å
16L89.8Confident83.5Confident102 Ų10299.8 Ų99.853%0.53452%0.52SS..Hα-helixtrans-70.8-36.6-176.8-69.5174.9000112.3M12 F13 L19 F20M12-L16 HydrophobicContact CB-CD1 4.38Å; M12-L16 WeakPolarHBondContact O-CB 3.04Å; M12-L16 VanDerWaalsContact O-CG 3.23Å; M12-L16 WeakPolarHBondContact O-CG 3.49Å; M12-L16 PolarHBondContact O-N 3.45Å; F13-L16 PolarHBondContact O-N 3.49Å; L16-L19 PolarHBondContact O-N 3.29Å; L16-F20 WeakPolarHBondContact O-CB 3.49Å; L16-F20 PolarHBondContact O-N 2.93Å
17L89.9Confident85Confident71 Ų7196.5 Ų96.537%0.37250%0.497SS..Hα-helixtrans-67.6-48.9-177.5-170.875.2000112.4F13 L19 F20 F21F13-L17 HydrophobicContact CE1-CD2 3.9Å; F13-L17 HydrophobicContact CZ-CD1 4.29Å; F13-L17 HydrophobicContact CZ-CD2 4.03Å; F13-L17 WeakPolarHBondContact O-CB 3.19Å; F13-L17 PolarHBondContact O-N 3.31Å; F13-L17 VanDerWaalsContact O-N 3.11Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-L19 PolarHBondContact O-N 3.09Å; L17-F20 PolarHBondContact O-N 3.27Å; L17-F21 HydrophobicContact CD1-CD2 4.05Å; L17-F21 HydrophobicContact CD1-CE2 3.46Å; L17-F21 VanDerWaalsContact CD1-CE2 3.46Å; L17-F21 HydrophobicContact CD1-CZ 4.29Å; L17-F21 HydrophobicContact CD2-CE2 4.14Å; L17-F21 HydrophobicContact CG-CD2 3.85Å; L17-F21 HydrophobicContact CG-CE2 3.58Å; L17-F21 VanDerWaalsContact O-CD2 3.23Å; L17-F21 WeakPolarHBondContact O-CD2 3.17Å; L17-F21 PolarHBondContact O-N 3.06Å
18P92.1Very high86.7Confident80 Ų8094.8 Ų94.852%0.51949%0.488SS..Hα-helixtrans-62.8-37173.6-22.835.1000112.8F14 Y15 F21 G22F14-P18 WeakPolarHBondContact O-CD 3.39Å; F14-P18 WeakPolarHBondContact O-CG 3.49Å; Y15-P18 WeakPolarHBondContact O-CD 3.41Å; P18-F21 PolarHBondContact O-N 3.15Å; P18-G22 PolarHBondContact O-N 3.46Å
19L92.6Very high88.1Confident123 Ų12393.3 Ų93.364%0.64448%0.483SS*.Hα-helixtrans-62.6-44.2176.1-175.869.6000111.3Y15 L16 L17 G22 L23Y15-L19 WeakPolarHBondContact O-CB 3.49Å; Y15-L19 PolarHBondContact O-N 3.44Å; L16-L19 PolarHBondContact O-N 3.29Å; L17-L19 VanDerWaalsContact C-N 3.32Å; L17-L19 PolarHBondContact O-N 3.09Å; L19-G22 PolarHBondContact O-N 3.34Å; L19-L23 WeakPolarHBondContact O-CB 3.5Å; L19-L23 PolarHBondContact O-N 3.23Å
20F92.9Very high89.3Confident121 Ų12194.2 Ų94.253%0.53148%0.477SS..Hα-helixtrans-61.6-49.7176.6173.8-98.7000111.9L16 L17 G22 L23 L24L16-F20 WeakPolarHBondContact O-CB 3.49Å; L16-F20 PolarHBondContact O-N 2.93Å; L17-F20 PolarHBondContact O-N 3.27Å; F20-G22 VanDerWaalsContact C-N 3.33Å; F20-G22 PolarHBondContact O-N 3.09Å; F20-L23 PolarHBondContact O-N 3.16Å; F20-L24 HydrophobicContact CE1-CD2 4.29Å; F20-L24 VanDerWaalsContact O-CB 3.31Å; F20-L24 WeakPolarHBondContact O-CB 3.46Å; F20-L24 PolarHBondContact O-N 3.25Å
21F94.2Very high90.3Very high114 Ų11491.5 Ų91.550%0.546%0.459SS..Hα-helixtrans-67.3-34.4178.2-75.2-62.7000112.6L17 P18 F25L17-F21 HydrophobicContact CD1-CD2 4.05Å; L17-F21 HydrophobicContact CD1-CE2 3.46Å; L17-F21 VanDerWaalsContact CD1-CE2 3.46Å; L17-F21 HydrophobicContact CD1-CZ 4.29Å; L17-F21 HydrophobicContact CD2-CE2 4.14Å; L17-F21 HydrophobicContact CG-CD2 3.85Å; L17-F21 HydrophobicContact CG-CE2 3.58Å; L17-F21 VanDerWaalsContact O-CD2 3.23Å; L17-F21 WeakPolarHBondContact O-CD2 3.17Å; L17-F21 PolarHBondContact O-N 3.06Å; P18-F21 PolarHBondContact O-N 3.15Å; F21-F25 VanDerWaalsContact O-CB 3.22Å; F21-F25 WeakPolarHBondContact O-CB 3.4Å; F21-F25 PolarHBondContact O-N 3.39Å
22G95.4Very high91.2Very high35 Ų3595.8 Ų95.836%0.36147%0.473SS..Hα-helixtrans-63-48.5173.300000111.8P18 L19 F20 F25 V26P18-G22 PolarHBondContact O-N 3.46Å; L19-G22 PolarHBondContact O-N 3.34Å; F20-G22 VanDerWaalsContact C-N 3.33Å; F20-G22 PolarHBondContact O-N 3.09Å; G22-F25 PolarHBondContact O-N 3.48Å; G22-V26 WeakPolarHBondContact O-CG2 3.44Å; G22-V26 PolarHBondContact O-N 3.31Å
23L94.8Very high91.9Very high104 Ų10499.5 Ų99.555%0.54548%0.48SS..Hα-helixtrans-61.3-47.5175178.561.8000111.3L19 F20 F25 V26 L27L19-L23 WeakPolarHBondContact O-CB 3.5Å; L19-L23 PolarHBondContact O-N 3.23Å; F20-L23 PolarHBondContact O-N 3.16Å; L23-F25 VanDerWaalsContact C-N 3.32Å; L23-F25 PolarHBondContact O-N 2.93Å; L23-V26 PolarHBondContact O-N 2.86Å; L23-L27 HydrophobicContact CD1-CD1 4.35Å; L23-L27 HydrophobicContact CD1-CG 4.24Å; L23-L27 HydrophobicContact CG-CD1 4.13Å; L23-L27 HydrophobicContact CG-CG 4.43Å; L23-L27 VanDerWaalsContact O-CG 3.32Å; L23-L27 WeakPolarHBondContact O-CG 3.31Å; L23-L27 PolarHBondContact O-N 2.88Å
24L94.5Very high92.6Very high55 Ų5595.2 Ų95.229%0.28846%0.46SS..Hα-helixtrans-59.8-43177.8-179.561.5000111.5F20 L27 L28 L160F20-L24 HydrophobicContact CE1-CD2 4.29Å; F20-L24 VanDerWaalsContact O-CB 3.31Å; F20-L24 WeakPolarHBondContact O-CB 3.46Å; F20-L24 PolarHBondContact O-N 3.25Å; L24-L27 PolarHBondContact O-N 2.87Å; L24-L28 HydrophobicContact CD1-CD1 4.1Å; L24-L28 HydrophobicContact CD1-CG 4.12Å; L24-L28 HydrophobicContact CG-CD1 3.96Å; L24-L28 HydrophobicContact CG-CG 4.39Å; L24-L28 WeakPolarHBondContact O-CB 3.34Å; L24-L28 VanDerWaalsContact O-CG 3.25Å; L24-L28 WeakPolarHBondContact O-CG 3.23Å; L24-L28 PolarHBondContact O-N 3.41Å; L24-L160 HydrophobicContact CD1-CD2 4.17Å
25F95.2Very high93.1Very high149 Ų14989.5 Ų89.565%0.65444%0.435SS*.Hα-helixtrans-60.5-45.8175.7176.9-95.8000111.6F21 G22 L23 L28 A29F21-F25 VanDerWaalsContact O-CB 3.22Å; F21-F25 WeakPolarHBondContact O-CB 3.4Å; F21-F25 PolarHBondContact O-N 3.39Å; G22-F25 PolarHBondContact O-N 3.48Å; L23-F25 VanDerWaalsContact C-N 3.32Å; L23-F25 PolarHBondContact O-N 2.93Å; F25-L28 PolarHBondContact O-N 3.02Å; F25-A29 VanDerWaalsContact O-CB 3.27Å; F25-A29 WeakPolarHBondContact O-CB 3.36Å; F25-A29 PolarHBondContact O-N 3.44Å
26V95.5Very high93.1Very high88 Ų8884.8 Ų84.853%0.53343%0.429SS..Hα-helixtrans-61.1-45.6176.5170.70000111G22 L23 A29 Y30G22-V26 WeakPolarHBondContact O-CG2 3.44Å; G22-V26 PolarHBondContact O-N 3.31Å; L23-V26 PolarHBondContact O-N 2.86Å; V26-A29 PolarHBondContact O-N 2.83Å; V26-Y30 VanDerWaalsContact O-CB 3.28Å; V26-Y30 WeakPolarHBondContact O-CB 3.36Å; V26-Y30 PolarHBondContact O-N 2.93Å
27L95.6Very high92.5Very high26 Ų2684 Ų8414%0.13643%0.432CS..Hα-helixtrans-62.5-44.2178.4-69.5175.8000111.7L23 L24 Y30 H31 L160 L161 F163L23-L27 HydrophobicContact CD1-CD1 4.35Å; L23-L27 HydrophobicContact CD1-CG 4.24Å; L23-L27 HydrophobicContact CG-CD1 4.13Å; L23-L27 HydrophobicContact CG-CG 4.43Å; L23-L27 VanDerWaalsContact O-CG 3.32Å; L23-L27 WeakPolarHBondContact O-CG 3.31Å; L23-L27 PolarHBondContact O-N 2.88Å; L24-L27 PolarHBondContact O-N 2.87Å; L27-Y30 PolarHBondContact O-N 3.46Å; L27-H31 WeakPolarHBondContact O-CB 3.35Å; L27-H31 PolarHBondContact O-N 3.49Å; L27-L160 VanDerWaalsContact C-CD1 3.45Å; L27-L160 HydrophobicContact CB-CD1 3.59Å; L27-L160 HydrophobicContact CB-CD2 4.46Å; L27-L160 HydrophobicContact CB-CG 3.9Å; L27-L160 HydrophobicContact CD1-CG 4.39Å; L27-L160 WeakPolarHBondContact O-CD1 3.39Å; L27-L161 HydrophobicContact CD1-CD2 4.19Å; L27-F163 HydrophobicContact CD2-CE1 3.83Å; L27-F163 HydrophobicContact CD2-CZ 3.99Å
28L95Very high91Very high71 Ų7185.5 Ų85.537%0.37245%0.448SS..Hα-helixtrans-67.4-40.7178-70.2174000112.1L24 F25 Y30 H31 Q32 F156 L160L24-L28 HydrophobicContact CD1-CD1 4.1Å; L24-L28 HydrophobicContact CD1-CG 4.12Å; L24-L28 HydrophobicContact CG-CD1 3.96Å; L24-L28 HydrophobicContact CG-CG 4.39Å; L24-L28 WeakPolarHBondContact O-CB 3.34Å; L24-L28 VanDerWaalsContact O-CG 3.25Å; L24-L28 WeakPolarHBondContact O-CG 3.23Å; L24-L28 PolarHBondContact O-N 3.41Å; F25-L28 PolarHBondContact O-N 3.02Å; L28-Y30 VanDerWaalsContact C-N 3.34Å; L28-H31 PolarHBondContact O-N 3.27Å; L28-Q32 WeakPolarHBondContact O-CB 3.37Å; L28-Q32 PolarHBondContact O-N 3.48Å; L28-F156 HydrophobicContact CD2-CZ 3.72Å; L28-L160 HydrophobicContact CD2-CD1 3.99Å; L28-L160 HydrophobicContact CD2-CD2 4.43Å; L28-L160 HydrophobicContact CG-CD1 4.45Å
29A94Very high89.5Confident35 Ų3587 Ų8729%0.28946%0.456SS..Hα-helixtrans-64.3-40.9175.300000111.2F25 V26 Q32 R33F25-A29 VanDerWaalsContact O-CB 3.27Å; F25-A29 WeakPolarHBondContact O-CB 3.36Å; F25-A29 PolarHBondContact O-N 3.44Å; V26-A29 PolarHBondContact O-N 2.83Å; A29-Q32 PolarHBondContact O-N 2.99Å; A29-R33 WeakPolarHBondContact O-CG 3Å; A29-R33 PolarHBondContact O-N 2.91Å
30Y93.8Very high88Confident110 Ų11086.7 Ų86.743%0.43146%0.46SS..Hα-helixtrans-66.1-44.1175.2-175.3-107.5000112.1V26 L27 L28 R33 R34 F163V26-Y30 VanDerWaalsContact O-CB 3.28Å; V26-Y30 WeakPolarHBondContact O-CB 3.36Å; V26-Y30 PolarHBondContact O-N 2.93Å; L27-Y30 PolarHBondContact O-N 3.46Å; L28-Y30 VanDerWaalsContact C-N 3.34Å; Y30-R33 PolarHBondContact O-N 3.36Å; Y30-R34 HydrophobicContact CD1-CG 4.47Å; Y30-R34 VanDerWaalsContact CE1-CD 3.44Å; Y30-R34 HydrophobicContact CE1-CG 4.03Å; Y30-R34 PolarHBondContact O-N 3.16Å; Y30-F163 AromaticContact CD1-CD1 3.6Å; Y30-F163 HydrophobicContact CD1-CD1 3.6Å; Y30-F163 AromaticContact CD1-CE1 3.73Å; Y30-F163 HydrophobicContact CD1-CE1 3.73Å; Y30-F163 HydrophobicContact CE1-CB 4.45Å; Y30-F163 AromaticContact CE1-CD1 3.39Å; Y30-F163 HydrophobicContact CE1-CD1 3.39Å; Y30-F163 AromaticContact CE1-CE1 3.86Å; Y30-F163 HydrophobicContact CE1-CE1 3.86Å; Y30-F163 HydrophobicContact CE1-CG 4.12Å
31H93.6Very high86.7Confident18 Ų1886.7 Ų86.78%0.08348%0.475CS..Hα-helixtrans-54.8-52.7172175.2-69000110.7L27 L28 R33 R34 H35 F156 D159 L160L27-H31 WeakPolarHBondContact O-CB 3.35Å; L27-H31 PolarHBondContact O-N 3.49Å; L28-H31 PolarHBondContact O-N 3.27Å; H31-R33 VanDerWaalsContact C-N 3.29Å; H31-R33 PolarHBondContact O-N 2.88Å; H31-R34 PolarHBondContact O-N 3.05Å; H31-R34 VanDerWaalsContact O-N 3.13Å; H31-H35 AromaticContact CD2-CD2 3.93Å; H31-H35 AromaticContact CD2-NE2 3.92Å; H31-H35 AromaticContact CE1-CD2 3.28Å; H31-H35 PolarHBondContact CE1-CD2 3.2Å; H31-H35 AromaticContact CE1-CG 3.91Å; H31-H35 AromaticContact CE1-NE2 3.5Å; H31-H35 PolarHBondContact CE1-NE2 3.04Å; H31-H35 AromaticContact CG-CD2 3.94Å; H31-H35 AromaticContact ND1-CD2 3.57Å; H31-H35 AromaticContact NE2-CD2 3.55Å; H31-H35 AromaticContact NE2-NE2 3.34Å; H31-H35 PolarHBondContact NE2-NE2 3.11Å; H31-H35 PolarHBondContact O-CD2 3.42Å; H31-H35 VanDerWaalsContact O-CD2 3.31Å; H31-H35 PolarHBondContact O-N 2.89Å; H31-F156 AromaticContact CD2-CE2 3.95Å; H31-F156 AromaticContact CE1-CE2 3.92Å; H31-F156 AromaticContact NE2-CD2 3.62Å; H31-F156 AromaticContact NE2-CE2 3.58Å; H31-D159 IonicContact CD2-OD1 2.72Å; H31-D159 PolarHBondContact CD2-OD1 2.92Å; H31-D159 IonicContact NE2-OD1 3.15Å; H31-D159 IonicContact NE2-OD2 3.11Å; H31-L160 HydrophobicContact CB-CD1 3.98Å
32Q92.5Very high85.8Confident130 Ų13086.1 Ų86.161%0.60747%0.469SS*.Hα-helixtrans-58.1-40179.9-173.4177.8-5.800112.4L28 A29 H35 S36L28-Q32 WeakPolarHBondContact O-CB 3.37Å; L28-Q32 PolarHBondContact O-N 3.48Å; A29-Q32 PolarHBondContact O-N 2.99Å; Q32-H35 PolarHBondContact O-N 2.9Å; Q32-S36 VanDerWaalsContact O-CB 3.28Å; Q32-S36 WeakPolarHBondContact O-CB 3.49Å; Q32-S36 PolarHBondContact O-N 3.42Å; Q32-S36 PolarHBondContact O-OG 3.42Å
33R92.4Very high84.9Confident197 Ų19792.3 Ų92.374%0.74349%0.492SS*.Hα-helixtrans-63-47.7175-74.8-179.8-178.8-167.11.4112A29 Y30 H31 H35 S36 S37A29-R33 WeakPolarHBondContact O-CG 3Å; A29-R33 PolarHBondContact O-N 2.91Å; Y30-R33 PolarHBondContact O-N 3.36Å; H31-R33 VanDerWaalsContact C-N 3.29Å; H31-R33 PolarHBondContact O-N 2.88Å; R33-H35 VanDerWaalsContact C-N 3.26Å; R33-H35 PolarHBondContact O-N 2.66Å; R33-S36 PolarHBondContact O-N 3.17Å; R33-S37 PolarHBondContact O-N 3.47Å; R33-S37 VanDerWaalsContact O-N 3.16Å
34R91.9Very high84.7Confident40 Ų4092.8 Ų92.815%0.15150%0.495CS..Hα-helixtrans-58.9-38.7178.7-76-167.6-69.5110.40112.4Y30 H31 D159 T165Y30-R34 HydrophobicContact CD1-CG 4.47Å; Y30-R34 VanDerWaalsContact CE1-CD 3.44Å; Y30-R34 HydrophobicContact CE1-CG 4.03Å; Y30-R34 PolarHBondContact O-N 3.16Å; H31-R34 PolarHBondContact O-N 3.05Å; H31-R34 VanDerWaalsContact O-N 3.13Å; R34-D159 IonicContact CZ-OD1 3.61Å; R34-D159 IonicContact NH1-OD1 3.89Å; R34-D159 PolarHBondContact NH1-OD1 3.34Å; R34-D159 IonicContact NH1-OD2 3.75Å; R34-D159 PolarHBondContact NH2-O 3.21Å; R34-D159 IonicContact NH2-OD1 2.7Å; R34-D159 PolarHBondContact NH2-OD1 3.38Å; R34-T165 PolarHBondContact NH1-OG1 3.29Å
35H92.4Very high84.6Confident27 Ų2792.9 Ų92.913%0.12550%0.499CS..Hα-helixtrans-83-15.4179.3-78.7-92.4000114.8H31 Q32 R33 D159 C166 H167 D194H31-H35 AromaticContact CD2-CD2 3.93Å; H31-H35 AromaticContact CD2-NE2 3.92Å; H31-H35 AromaticContact CE1-CD2 3.28Å; H31-H35 PolarHBondContact CE1-CD2 3.2Å; H31-H35 AromaticContact CE1-CG 3.91Å; H31-H35 AromaticContact CE1-NE2 3.5Å; H31-H35 PolarHBondContact CE1-NE2 3.04Å; H31-H35 AromaticContact CG-CD2 3.94Å; H31-H35 AromaticContact ND1-CD2 3.57Å; H31-H35 AromaticContact NE2-CD2 3.55Å; H31-H35 AromaticContact NE2-NE2 3.34Å; H31-H35 PolarHBondContact NE2-NE2 3.11Å; H31-H35 PolarHBondContact O-CD2 3.42Å; H31-H35 VanDerWaalsContact O-CD2 3.31Å; H31-H35 PolarHBondContact O-N 2.89Å; Q32-H35 PolarHBondContact O-N 2.9Å; R33-H35 VanDerWaalsContact C-N 3.26Å; R33-H35 PolarHBondContact O-N 2.66Å; H35-D159 IonicContact CD2-OD2 3.45Å; H35-D159 IonicContact CE1-OD2 3.97Å; H35-D159 PolarHBondContact CE1-OD2 2.82Å; H35-D159 IonicContact NE2-OD1 2.95Å; H35-D159 IonicContact NE2-OD2 2.65Å; H35-D159 PolarHBondContact NE2-OD2 3.18Å; H35-C166 PolarHBondContact CE1-O 2.96Å; H35-H167 AromaticContact CE1-CE1 3.91Å; H35-H167 AromaticContact CE1-ND1 3.53Å; H35-H167 AromaticContact ND1-CE1 3.19Å; H35-H167 PolarHBondContact ND1-CE1 3.44Å; H35-H167 AromaticContact ND1-CG 4Å; H35-H167 AromaticContact ND1-ND1 2.95Å; H35-H167 PolarHBondContact ND1-ND1 2.85Å; H35-D194 IonicContact CE1-OD1 3.92Å; H35-D194 IonicContact CE1-OD2 3.41Å; H35-D194 IonicContact CG-OD1 3.95Å; H35-D194 IonicContact ND1-OD1 2.73Å; H35-D194 PolarHBondContact ND1-OD1 2.94Å; H35-D194 IonicContact ND1-OD2 3.89Å
36S87.1Confident84.5Confident85 Ų8587 Ų8759%0.59448%0.476SS*.Hα-helixtrans-90.8-18.4175.9-57.40000113.2Q32 R33 S38Q32-S36 VanDerWaalsContact O-CB 3.28Å; Q32-S36 WeakPolarHBondContact O-CB 3.49Å; Q32-S36 PolarHBondContact O-N 3.42Å; Q32-S36 PolarHBondContact O-OG 3.42Å; R33-S36 PolarHBondContact O-N 3.17Å; S36-S38 PolarHBondContact O-N 2.9Å
37S76.4Confident84.5Confident85 Ų8584.7 Ų84.759%0.59446%0.461SS*.SBendtrans-55.9122.2174.2176.10000109.3R33 T39R33-S37 PolarHBondContact O-N 3.47Å; R33-S37 VanDerWaalsContact O-N 3.16Å; S37-T39 PolarHBondContact O-N 2.92Å
38S59.2Low84.6Confident102 Ų10283.5 Ų83.571%0.71346%0.455SS*.  trans-60131171.460.40000108.7S36 T40S36-S38 PolarHBondContact O-N 2.9Å; S38-T40 PolarHBondContact O-N 3.47Å
39T61.2Low84.7Confident111 Ų11180.1 Ų80.168%0.68144%0.438SS*.  trans-57.6115.2177.3-1.20000108.5S37 R42S37-T39 PolarHBondContact O-N 2.92Å; T39-R42 HydrophobicContact CG2-CG 4.37Å
40T59.7Low84.8Confident117 Ų11778.5 Ų78.572%0.71842%0.424SS*.  trans-57.9154161.746.30000108.7S38 R42S38-T40 PolarHBondContact O-N 3.47Å; T40-R42 PolarHBondContact O-N 2.91Å
41S66Low84.9Confident121 Ų12173.4 Ų73.485%0.84640%0.404SS*.  trans-51.4113172.7-177.50000108.9
42R75.3Confident85Confident103 Ų10372.7 Ų72.739%0.38940%0.401SS..  trans-85.2130.9-179.3-72.7-174.359.2137.71.4109T39 T40 E138T39-R42 HydrophobicContact CG2-CG 4.37Å; T40-R42 PolarHBondContact O-N 2.91Å; R42-E138 IonicContact CZ-OE1 3.56Å; R42-E138 IonicContact CZ-OE2 3.6Å; R42-E138 IonicContact NH1-OE1 3.88Å; R42-E138 PolarHBondContact NH1-OE1 3.26Å; R42-E138 IonicContact NH2-OE1 3.52Å; R42-E138 PolarHBondContact NH2-OE1 3.14Å; R42-E138 IonicContact NH2-OE2 3Å; R42-E138 PolarHBondContact NH2-OE2 3.45Å
43I77.9Confident84.8Confident165 Ų16566.6 Ų66.685%0.84637%0.373SS*.SBendtrans-77.8-38.4172.7-58.5172.7000110.1
44N88.6Confident84.6Confident114 Ų11458.6 Ų58.661%0.6135%0.348SS*.SBendtrans-94.3142-174.5-63.7-34.3000112
45P92.9Very high84.4Confident57 Ų5758.5 Ų58.537%0.3736%0.359SS..PPolyproline II helixtrans-54.5152.8169.6-22.532.9000112N71 L72 A74P45-N71 WeakPolarHBondContact CG-O 3.49Å; P45-L72 CarbonylContact C-O 3.53Å; P45-L72 WeakPolarHBondContact CA-O 3.39Å; P45-A74 HydrophobicContact CB-CB 4.32Å; P45-A74 VanDerWaalsContact CB-O 3.3Å; P45-A74 WeakPolarHBondContact CB-O 3.22Å
46V93.9Very high84.3Confident26 Ų2660 Ų6016%0.15838%0.382CS..PPolyproline II helixtrans-91116.8-179.9-178.60000109.1T48 L72 Y73 A74 E138 L139V46-T48 PolarHBondContact O-N 3.49Å; V46-T48 VanDerWaalsContact O-N 3.12Å; V46-T48 PolarHBondContact O-OG1 3.33Å; V46-L72 PolarHBondContact N-O 3.12Å; V46-Y73 HydrophobicContact CB-CD1 4.16Å; V46-Y73 CarbonylContact O-C 3.53Å; V46-Y73 WeakPolarHBondContact O-CA 3.32Å; V46-A74 CarbonylContact C-O 3.58Å; V46-A74 PolarHBondContact O-N 2.85Å; V46-E138 HydrophobicContact CG1-CB 3.75Å; V46-L139 HydrophobicContact CG1-CB 3.74Å
47T95.3Very high84.6Confident38 Ų3858.2 Ų58.223%0.23336%0.364CS..  trans-63.5116176.4-59.80000109.6P75 E138 L139T47-P75 HydrophobicContact CG2-CG 4.18Å; T47-E138 PolarHBondContact N-OE2 3.02Å; T47-E138 PolarHBondContact O-N 3.26Å; T47-L139 PolarHBondContact O-N 2.9Å; T47-L139 VanDerWaalsContact O-N 3.14Å
48T96.8Very high85.5Confident1 Ų154.2 Ų54.21%0.00634%0.336CS..EExtended strand (participates in β ladder)trans-117.6123.4-166.7-60.10000111.4V46 V50 P75 M76 L77 L139 L141V46-T48 PolarHBondContact O-N 3.49Å; V46-T48 VanDerWaalsContact O-N 3.12Å; V46-T48 PolarHBondContact O-OG1 3.33Å; T48-V50 HydrophobicContact CG2-CG2 4.17Å; T48-P75 PolarHBondContact N-O 3.41Å; T48-M76 WeakPolarHBondContact O-CA 3.41Å; T48-L77 PolarHBondContact O-N 2.73Å; T48-L139 CarbonylContact C-O 3.46Å; T48-L139 WeakPolarHBondContact CA-O 3.26Å; T48-L139 HydrophobicContact CG2-CB 4.43Å; T48-L139 HydrophobicContact CG2-CD2 3.98Å; T48-L139 HydrophobicContact CG2-CG 4.22Å; T48-L141 HydrophobicContact CG2-CD1 4.05Å; T48-L141 HydrophobicContact CG2-CG 4.22Å
49C97Very high87.1Confident1 Ų151 Ų511%0.00732%0.319CS..EExtended strand (participates in β ladder)trans-102.3124.5172.4175.10000109.9L77 P137 L139 I140 L141C49-L77 CarbonylContact C-O 3.44Å; C49-L77 WeakPolarHBondContact CA-O 3.28Å; C49-P137 HydrophobicContact CB-CB 3.73Å; C49-P137 HydrophobicContact CB-CG 4.27Å; C49-L139 PolarHBondContact N-O 3.46Å; C49-I140 HydrophobicContact CB-CG1 4.09Å; C49-I140 CarbonylContact O-C 3.53Å; C49-I140 VanDerWaalsContact O-CA 3.3Å; C49-I140 WeakPolarHBondContact O-CA 3.49Å; C49-L141 PolarHBondContact O-N 2.9Å
50V96.9Very high88.7Confident0 Ų046.9 Ų46.90%029%0.292CS..EExtended strand (participates in β ladder)trans-110118179.4-175.30000108.5T48 L52 M61 V65 M76 L77 F78 M79 L141T48-V50 HydrophobicContact CG2-CG2 4.17Å; V50-L52 HydrophobicContact CG1-CD2 4.04Å; V50-M61 HydrophobicContact CG1-CB 4.45Å; V50-M61 HydrophobicContact CG1-CE 3.77Å; V50-V65 HydrophobicContact CB-CG1 4.49Å; V50-V65 HydrophobicContact CG1-CG1 3.83Å; V50-V65 HydrophobicContact CG1-CG2 4.44Å; V50-V65 HydrophobicContact CG2-CB 4.45Å; V50-V65 HydrophobicContact CG2-CG1 3.79Å; V50-M76 HydrophobicContact CG2-CG 3.82Å; V50-M76 HydrophobicContact CG2-SD 3.93Å; V50-L77 PolarHBondContact N-O 2.69Å; V50-F78 HydrophobicContact CB-CD1 3.62Å; V50-F78 HydrophobicContact CB-CE1 3.75Å; V50-F78 HydrophobicContact CB-CG 4.38Å; V50-F78 HydrophobicContact CG1-CD1 3.81Å; V50-F78 HydrophobicContact CG1-CE1 3.76Å; V50-F78 HydrophobicContact CG2-CD1 4.4Å; V50-F78 HydrophobicContact CG2-CE1 4.11Å; V50-F78 CarbonylContact O-C 3.59Å; V50-F78 VanDerWaalsContact O-CA 3.25Å; V50-F78 WeakPolarHBondContact O-CA 3.22Å; V50-M79 PolarHBondContact O-N 2.65Å; V50-L141 WeakPolarHBondContact CA-O 3.45Å
51V96.4Very high90.4Very high3 Ų341.4 Ų41.42%0.01826%0.258CS..EExtended strand (participates in β ladder)trans-86.9119.5176.3-174.90000108.5I140 L141 C142 C148 I151V51-I140 HydrophobicContact CG2-CG2 4.1Å; V51-L141 PolarHBondContact N-O 2.91Å; V51-C142 HydrophobicContact CB-CB 3.72Å; V51-C142 HydrophobicContact CG2-CB 3.86Å; V51-C148 HydrophobicContact CG1-CB 4.17Å; V51-I151 HydrophobicContact CB-CD1 4.2Å; V51-I151 HydrophobicContact CG1-CD1 3.49Å; V51-I151 VanDerWaalsContact CG1-CD1 3.49Å; V51-I151 HydrophobicContact CG2-CD1 3.6Å; V51-I151 HydrophobicContact CG2-CG2 4.08Å
52L94.9Very high91.8Very high4 Ų436.6 Ų36.62%0.02122%0.223CC..EExtended strand (participates in β ladder)trans-94.6127.5175.7-60.1-177.7000110.8V50 T58 M61 L62 F78 M79 V80 A91V50-L52 HydrophobicContact CG1-CD2 4.04Å; L52-T58 HydrophobicContact CB-CG2 4.39Å; L52-T58 HydrophobicContact CD1-CG2 4.17Å; L52-T58 HydrophobicContact CD2-CG2 4.26Å; L52-M61 HydrophobicContact CD2-CB 3.84Å; L52-L62 HydrophobicContact CD1-CD2 4.36Å; L52-L62 HydrophobicContact CD2-CD2 4.04Å; L52-L62 HydrophobicContact CD2-CG 4.25Å; L52-F78 HydrophobicContact CD1-CB 4.11Å; L52-F78 HydrophobicContact CD1-CD1 3.66Å; L52-F78 HydrophobicContact CD1-CE1 4.5Å; L52-F78 HydrophobicContact CD1-CG 4.21Å; L52-F78 HydrophobicContact CD2-CD1 3.83Å; L52-F78 HydrophobicContact CD2-CE1 4.25Å; L52-F78 HydrophobicContact CG-CB 4.39Å; L52-F78 HydrophobicContact CG-CD1 3.75Å; L52-M79 PolarHBondContact N-O 3.45Å; L52-V80 HydrophobicContact CB-CG2 4.16Å; L52-V80 HydrophobicContact CD1-CG2 3.95Å; L52-V80 HydrophobicContact CG-CG2 4.35Å; L52-A91 HydrophobicContact CD1-CB 3.78Å
53G89.4Confident92.7Very high1 Ų139.2 Ų39.21%0.0123%0.233CC..PPolyproline II helixtrans-99.2138.3172.100000112.5H57 T58G53-H57 CarbonylContact O-C 3.6Å; G53-H57 WeakPolarHBondContact O-CB 3.38Å; G53-T58 WeakPolarHBondContact O-CA 3.21Å; G53-T58 PolarHBondContact O-N 3.31Å; G53-T58 PolarHBondContact O-OG1 3.25Å
54S87.7Confident93.4Very high30 Ų3032.9 Ų32.921%0.2120%0.2CC..THydrogen-bonded Turntrans-55143.7179.665.40000114.2D84 R106S54-D84 WeakPolarHBondContact CA-OD2 3.35Å; S54-D84 VanDerWaalsContact CB-OD2 3.22Å; S54-D84 WeakPolarHBondContact CB-OD2 3.36Å; S54-D84 PolarHBondContact N-OD2 3.35Å; S54-R106 PolarHBondContact OG-NH2 2.91Å
55G87.8Confident93.7Very high38 Ų3827.4 Ų27.439%0.39217%0.171SC..THydrogen-bonded Turntrans84.7-129170.300000113.5H57 T58G55-H57 VanDerWaalsContact C-N 3.26Å; G55-H57 PolarHBondContact O-N 2.72Å; G55-T58 PolarHBondContact O-N 3.35Å; G55-T58 PolarHBondContact O-OG1 2.88Å
56G90.5Very high93.7Very high59 Ų5926.8 Ų26.861%0.60818%0.175SC*.Hα-helixtrans-64.7-31.1179.900000113T58 G59 E60G56-T58 VanDerWaalsContact C-N 3.33Å; G56-T58 PolarHBondContact O-N 3.13Å; G56-G59 PolarHBondContact O-N 3.34Å; G56-G59 VanDerWaalsContact O-N 3.09Å; G56-E60 WeakPolarHBondContact O-CG 3.39Å; G56-E60 PolarHBondContact O-N 3.41Å
57H92.8Very high93.7Very high47 Ų4729.7 Ų29.722%0.21820%0.202CC..Hα-helixtrans-60.4-39177.9-70.6-59.4000112.8G53 G55 G59 E60 M61 N143 G144 S173G53-H57 CarbonylContact O-C 3.6Å; G53-H57 WeakPolarHBondContact O-CB 3.38Å; G55-H57 VanDerWaalsContact C-N 3.26Å; G55-H57 PolarHBondContact O-N 2.72Å; H57-G59 VanDerWaalsContact C-N 3.33Å; H57-G59 PolarHBondContact O-N 3.21Å; H57-E60 IonicContact ND1-OE2 3.47Å; H57-E60 PolarHBondContact ND1-OE2 2.84Å; H57-E60 PolarHBondContact O-N 3.08Å; H57-M61 WeakPolarHBondContact O-CG 3.35Å; H57-M61 PolarHBondContact O-N 3.34Å; H57-N143 VanDerWaalsContact CA-ND2 3.3Å; H57-N143 WeakPolarHBondContact CA-ND2 3.48Å; H57-N143 WeakPolarHBondContact CB-ND2 3.21Å; H57-N143 PolarHBondContact ND1-ND2 3.29Å; H57-N143 PolarHBondContact O-ND2 3.09Å; H57-G144 VanDerWaalsContact CB-O 3.23Å; H57-G144 WeakPolarHBondContact CB-O 3.2Å; H57-G144 PolarHBondContact CD2-O 3.46Å; H57-G144 PolarHBondContact CE1-O 3.18Å; H57-G144 PolarHBondContact ND1-O 3.34Å; H57-G144 PolarHBondContact NE2-O 3.03Å; H57-S173 VanDerWaalsContact CE1-CB 3.49Å; H57-S173 WeakPolarHBondContact CE1-CB 3.12Å
58T94.5Very high93.6Very high1 Ų130 Ų301%0.00620%0.201CC..Hα-helixtrans-59-47.8173.7-360000110.1L52 G53 G55 G56 E60 M61 L62 S87 K90L52-T58 HydrophobicContact CB-CG2 4.39Å; L52-T58 HydrophobicContact CD1-CG2 4.17Å; L52-T58 HydrophobicContact CD2-CG2 4.26Å; G53-T58 WeakPolarHBondContact O-CA 3.21Å; G53-T58 PolarHBondContact O-N 3.31Å; G53-T58 PolarHBondContact O-OG1 3.25Å; G55-T58 PolarHBondContact O-N 3.35Å; G55-T58 PolarHBondContact O-OG1 2.88Å; G56-T58 VanDerWaalsContact C-N 3.33Å; G56-T58 PolarHBondContact O-N 3.13Å; T58-E60 PolarHBondContact O-N 3.33Å; T58-M61 PolarHBondContact O-N 2.88Å; T58-L62 HydrophobicContact CG2-CD1 3.75Å; T58-L62 HydrophobicContact CG2-CG 4.17Å; T58-L62 WeakPolarHBondContact O-CB 3.35Å; T58-L62 VanDerWaalsContact O-CG 3.25Å; T58-L62 WeakPolarHBondContact O-CG 3.46Å; T58-L62 PolarHBondContact O-N 3.05Å; T58-S87 WeakPolarHBondContact CG2-OG 3.4Å; T58-S87 PolarHBondContact OG1-OG 2.95Å; T58-K90 HydrophobicContact CG2-CB 4.3Å; T58-K90 HydrophobicContact CG2-CD 4.17Å
59G94.2Very high93.4Very high34 Ų3433.8 Ų33.835%0.35122%0.222SC..Hα-helixtrans-62.5-44.3-17800000112G56 H57 R63G56-G59 PolarHBondContact O-N 3.34Å; G56-G59 VanDerWaalsContact O-N 3.09Å; H57-G59 VanDerWaalsContact C-N 3.33Å; H57-G59 PolarHBondContact O-N 3.21Å; G59-R63 VanDerWaalsContact O-CB 3.31Å; G59-R63 WeakPolarHBondContact O-CB 3.29Å; G59-R63 PolarHBondContact O-N 2.87Å
60E94.2Very high93.1Very high25 Ų2539.9 Ų39.912%0.11725%0.245CC..Hα-helixtrans-59.5-48.3174.8-69.1176.1152.800111.6G56 H57 T58 R63 L64 N143 S173 I174G56-E60 WeakPolarHBondContact O-CG 3.39Å; G56-E60 PolarHBondContact O-N 3.41Å; H57-E60 IonicContact ND1-OE2 3.47Å; H57-E60 PolarHBondContact ND1-OE2 2.84Å; H57-E60 PolarHBondContact O-N 3.08Å; T58-E60 PolarHBondContact O-N 3.33Å; E60-R63 PolarHBondContact O-N 2.94Å; E60-L64 WeakPolarHBondContact O-CB 3.14Å; E60-L64 PolarHBondContact O-N 3.23Å; E60-N143 PolarHBondContact OE2-ND2 2.89Å; E60-S173 PolarHBondContact OE1-OG 2.97Å; E60-S173 WeakPolarHBondContact OE2-CA 3.27Å; E60-S173 VanDerWaalsContact OE2-CB 3.28Å; E60-S173 WeakPolarHBondContact OE2-CB 3.44Å; E60-S173 PolarHBondContact OE2-OG 2.8Å; E60-S173 VanDerWaalsContact OE2-OG 3.09Å; E60-I174 HydrophobicContact CG-CD1 4.24Å; E60-I174 WeakPolarHBondContact OE1-CB 3.18Å; E60-I174 PolarHBondContact OE1-N 3.35Å
61M95Very high92.8Very high2 Ų246.1 Ų46.11%0.0128%0.278CS..Hα-helixtrans-65.2-46.6-179.8-73.2-53.7-61.900112.3V50 L52 H57 T58 R63 L64 V65 L141 N143V50-M61 HydrophobicContact CG1-CB 4.45Å; V50-M61 HydrophobicContact CG1-CE 3.77Å; L52-M61 HydrophobicContact CD2-CB 3.84Å; H57-M61 WeakPolarHBondContact O-CG 3.35Å; H57-M61 PolarHBondContact O-N 3.34Å; T58-M61 PolarHBondContact O-N 2.88Å; M61-R63 VanDerWaalsContact C-N 3.31Å; M61-R63 PolarHBondContact O-N 2.86Å; M61-L64 PolarHBondContact O-N 2.99Å; M61-V65 HydrophobicContact CE-CG1 4.41Å; M61-V65 WeakPolarHBondContact O-CG1 3.35Å; M61-V65 WeakPolarHBondContact O-CG2 3.37Å; M61-V65 PolarHBondContact O-N 3.34Å; M61-L141 HydrophobicContact CE-CB 3.78Å; M61-N143 HydrophobicContact CG-CB 4.19Å; M61-N143 WeakPolarHBondContact CG-ND2 3.16Å; M61-N143 WeakPolarHBondContact CG-OD1 3.46Å; M61-N143 HydrophobicContact SD-CB 3.74Å; M61-N143 VanDerWaalsContact SD-CG 3.54Å
62L95.4Very high92.7Very high19 Ų1950.5 Ų50.510%0.09930%0.301CS..Hα-helixtrans-64-37.5-179.7-67.3176.1000111.8L52 T58 G66 F78 K90 A91 F95L52-L62 HydrophobicContact CD1-CD2 4.36Å; L52-L62 HydrophobicContact CD2-CD2 4.04Å; L52-L62 HydrophobicContact CD2-CG 4.25Å; T58-L62 HydrophobicContact CG2-CD1 3.75Å; T58-L62 HydrophobicContact CG2-CG 4.17Å; T58-L62 WeakPolarHBondContact O-CB 3.35Å; T58-L62 VanDerWaalsContact O-CG 3.25Å; T58-L62 WeakPolarHBondContact O-CG 3.46Å; T58-L62 PolarHBondContact O-N 3.05Å; L62-G66 WeakPolarHBondContact O-CA 3.41Å; L62-G66 PolarHBondContact O-N 3.12Å; L62-F78 HydrophobicContact CD2-CD1 4.36Å; L62-F78 HydrophobicContact CD2-CE1 3.7Å; L62-F78 HydrophobicContact CD2-CZ 4.3Å; L62-K90 HydrophobicContact CD1-CB 3.58Å; L62-A91 HydrophobicContact CD2-CB 4.24Å; L62-F95 HydrophobicContact CD2-CD2 4.13Å; L62-F95 HydrophobicContact CD2-CE2 3.71Å
63R94.1Very high92.6Very high159 Ų15954 Ų5460%0.632%0.315SS*.Hα-helixtrans-62.9-45.9173.1-176.6177.8-179165.51.7111.5G59 E60 M61 G66 A67 F216G59-R63 VanDerWaalsContact O-CB 3.31Å; G59-R63 WeakPolarHBondContact O-CB 3.29Å; G59-R63 PolarHBondContact O-N 2.87Å; E60-R63 PolarHBondContact O-N 2.94Å; M61-R63 VanDerWaalsContact C-N 3.31Å; M61-R63 PolarHBondContact O-N 2.86Å; R63-G66 PolarHBondContact O-N 3.31Å; R63-A67 PolarHBondContact O-N 3.5Å; R63-F216 HydrophobicContact CG-CD2 4.27Å; R63-F216 PolarHBondContact NE-O 3.4Å; R63-F216 PolarHBondContact NE-OXT 3.46Å; R63-F216 PolarHBondContact NH1-O 3.49Å; R63-F216 VanDerWaalsContact NH2-C 3.26Å; R63-F216 PolarHBondContact NH2-O 2.93Å; R63-F216 PolarHBondContact NH2-OXT 3.12Å
64L93.5Very high92.7Very high31 Ų3155.5 Ų55.516%0.16233%0.327CS..Hα-helixtrans-62.4-50.8179-177.1149.5000111.4E60 M61 G66 A67 L141 V171 F216E60-L64 WeakPolarHBondContact O-CB 3.14Å; E60-L64 PolarHBondContact O-N 3.23Å; M61-L64 PolarHBondContact O-N 2.99Å; L64-G66 VanDerWaalsContact C-N 3.27Å; L64-G66 PolarHBondContact O-N 2.95Å; L64-A67 PolarHBondContact O-N 3.3Å; L64-L141 HydrophobicContact CD2-CD1 4.25Å; L64-V171 HydrophobicContact CD1-CB 4.25Å; L64-V171 HydrophobicContact CD1-CG1 3.95Å; L64-V171 HydrophobicContact CD1-CG2 3.72Å; L64-F216 HydrophobicContact CB-CE2 3.91Å; L64-F216 HydrophobicContact CB-CZ 4.18Å; L64-F216 HydrophobicContact CD1-CE1 4.19Å; L64-F216 HydrophobicContact CD1-CE2 4.46Å; L64-F216 HydrophobicContact CD1-CZ 3.96Å
65V94.2Very high93Very high0 Ų058 Ų580%034%0.342CS..Hα-helixtrans-73.3-23-177.2-59.90000112.4V50 M61 A67 L68 M76 F78 F95 L141V50-V65 HydrophobicContact CB-CG1 4.49Å; V50-V65 HydrophobicContact CG1-CG1 3.83Å; V50-V65 HydrophobicContact CG1-CG2 4.44Å; V50-V65 HydrophobicContact CG2-CB 4.45Å; V50-V65 HydrophobicContact CG2-CG1 3.79Å; M61-V65 HydrophobicContact CE-CG1 4.41Å; M61-V65 WeakPolarHBondContact O-CG1 3.35Å; M61-V65 WeakPolarHBondContact O-CG2 3.37Å; M61-V65 PolarHBondContact O-N 3.34Å; V65-A67 PolarHBondContact O-N 3.35Å; V65-L68 HydrophobicContact CB-CD1 4.24Å; V65-L68 HydrophobicContact CG1-CD1 4.15Å; V65-L68 WeakPolarHBondContact O-CB 3.34Å; V65-L68 PolarHBondContact O-N 3.34Å; V65-M76 HydrophobicContact CB-CE 4.19Å; V65-M76 HydrophobicContact CB-SD 4.2Å; V65-M76 HydrophobicContact CG2-SD 4.3Å; V65-F78 HydrophobicContact CG2-CE1 4.07Å; V65-F78 HydrophobicContact CG2-CZ 4.27Å; V65-F95 HydrophobicContact CB-CZ 4.32Å; V65-F95 HydrophobicContact CG2-CE1 4.48Å; V65-F95 HydrophobicContact CG2-CE2 3.84Å; V65-F95 HydrophobicContact CG2-CZ 3.47Å; V65-F95 VanDerWaalsContact CG2-CZ 3.47Å; V65-L141 HydrophobicContact CG1-CD1 3.75Å
66G94.1Very high93.3Very high43 Ų4357.4 Ų57.444%0.44333%0.329SS..Hα-helixtrans-64.7-24.5171.700000113.5L62 R63 L64L62-G66 WeakPolarHBondContact O-CA 3.41Å; L62-G66 PolarHBondContact O-N 3.12Å; R63-G66 PolarHBondContact O-N 3.31Å; L64-G66 VanDerWaalsContact C-N 3.27Å; L64-G66 PolarHBondContact O-N 2.95Å
67A93Very high93.6Very high88 Ų8855.7 Ų55.773%0.72731%0.306SS*.THydrogen-bonded Turntrans-86.5-7.1175.800000113.6R63 L64 V65R63-A67 PolarHBondContact O-N 3.5Å; L64-A67 PolarHBondContact O-N 3.3Å; V65-A67 PolarHBondContact O-N 3.35Å
68L93.1Very high93.7Very high43 Ų4353.5 Ų53.523%0.22530%0.296CS..SBendtrans-78.8143.3-179.7-63.3177000111.6V65 R70 Y73 L141V65-L68 HydrophobicContact CB-CD1 4.24Å; V65-L68 HydrophobicContact CG1-CD1 4.15Å; V65-L68 WeakPolarHBondContact O-CB 3.34Å; V65-L68 PolarHBondContact O-N 3.34Å; L68-R70 PolarHBondContact O-N 2.83Å; L68-R70 VanDerWaalsContact O-N 3.12Å; L68-Y73 HydrophobicContact CB-CD2 3.98Å; L68-Y73 HydrophobicContact CD2-CD2 4.38Å; L68-Y73 HydrophobicContact CD2-CE2 4.24Å; L68-L141 HydrophobicContact CD1-CD1 3.51Å
69N93Very high93.8Very high81 Ų8153.4 Ų53.443%0.43330%0.296SS..  trans-69.7109.4173.2-175.1-17.7000110.2N71 L72 Y73N69-N71 PolarHBondContact O-N 3.34Å; N69-N71 WeakPolarHBondContact OD1-CB 3Å; N69-N71 PolarHBondContact OD1-N 3.35Å; N69-L72 HydrophobicContact CB-CB 4.39Å; N69-L72 HydrophobicContact CB-CD1 4.13Å; N69-L72 HydrophobicContact CB-CG 4.23Å; N69-L72 PolarHBondContact O-N 3.41Å; N69-Y73 WeakPolarHBondContact O-CD2 3.3Å; N69-Y73 PolarHBondContact O-N 3.45Å
70R89.6Confident93.8Very high130 Ų13051.9 Ų51.949%0.49128%0.279SS..THydrogen-bonded Turntrans-63.5-21-177.5-60.9-179.3-176.7-173.1-2.4113.6L68 L72 A74L68-R70 PolarHBondContact O-N 2.83Å; L68-R70 VanDerWaalsContact O-N 3.12Å; R70-L72 VanDerWaalsContact C-N 3.29Å; R70-A74 WeakPolarHBondContact O-CB 3.34Å
71N91.6Very high93.7Very high131 Ų13150.9 Ų50.970%0.70128%0.276SS*.THydrogen-bonded Turntrans-76-21.1174.4-62-21.8000112.3P45 N69P45-N71 WeakPolarHBondContact CG-O 3.49Å; N69-N71 PolarHBondContact O-N 3.34Å; N69-N71 WeakPolarHBondContact OD1-CB 3Å; N69-N71 PolarHBondContact OD1-N 3.35Å
72L93.1Very high93.5Very high95 Ų9554.6 Ų54.650%0.49730%0.295SS..THydrogen-bonded Turntrans-98.6-27.8178.5-61.6179.4000112.4P45 V46 N69 R70P45-L72 CarbonylContact C-O 3.53Å; P45-L72 WeakPolarHBondContact CA-O 3.39Å; V46-L72 PolarHBondContact N-O 3.12Å; N69-L72 HydrophobicContact CB-CB 4.39Å; N69-L72 HydrophobicContact CB-CD1 4.13Å; N69-L72 HydrophobicContact CB-CG 4.23Å; N69-L72 PolarHBondContact O-N 3.41Å; R70-L72 VanDerWaalsContact C-N 3.29Å
73Y94.2Very high93.1Very high78 Ų7857.2 Ų57.231%0.30631%0.309SS..SBendtrans-120.471.5-176.5-59.1-77.1000110.4V46 L68 N69 L139V46-Y73 HydrophobicContact CB-CD1 4.16Å; V46-Y73 CarbonylContact O-C 3.53Å; V46-Y73 WeakPolarHBondContact O-CA 3.32Å; L68-Y73 HydrophobicContact CB-CD2 3.98Å; L68-Y73 HydrophobicContact CD2-CD2 4.38Å; L68-Y73 HydrophobicContact CD2-CE2 4.24Å; N69-Y73 WeakPolarHBondContact O-CD2 3.3Å; N69-Y73 PolarHBondContact O-N 3.45Å; Y73-L139 HydrophobicContact CD1-CD2 3.75Å; Y73-L139 HydrophobicContact CE1-CD2 3.81Å
74A92Very high93Very high32 Ų3250.1 Ų50.126%0.26428%0.284SS..  trans-144.1154.6179.300000111.7P45 V46 R70P45-A74 HydrophobicContact CB-CB 4.32Å; P45-A74 VanDerWaalsContact CB-O 3.3Å; P45-A74 WeakPolarHBondContact CB-O 3.22Å; V46-A74 CarbonylContact C-O 3.58Å; V46-A74 PolarHBondContact O-N 2.85Å; R70-A74 WeakPolarHBondContact O-CB 3.34Å
75P93.5Very high92.9Very high81 Ų8153 Ų5353%0.52630%0.304SS..SBendcis-65149.6-11.229.1-34000111.1T47 T48T47-P75 HydrophobicContact CG2-CG 4.18Å; T48-P75 PolarHBondContact N-O 3.41Å
76M94.3Very high92.9Very high27 Ų2757.8 Ų57.813%0.13333%0.329CS..EExtended strand (participates in β ladder)trans-101.7126.9176.1-172.3175.3-69.800109.4T48 V50 V65 F78 F95T48-M76 WeakPolarHBondContact O-CA 3.41Å; V50-M76 HydrophobicContact CG2-CG 3.82Å; V50-M76 HydrophobicContact CG2-SD 3.93Å; V65-M76 HydrophobicContact CB-CE 4.19Å; V65-M76 HydrophobicContact CB-SD 4.2Å; V65-M76 HydrophobicContact CG2-SD 4.3Å; M76-F78 HydrophobicContact CG-CE2 3.8Å; M76-F78 HydrophobicContact CG-CZ 3.96Å; M76-F78 HydrophobicContact SD-CE1 4.3Å; M76-F78 HydrophobicContact SD-CE2 3.86Å; M76-F78 HydrophobicContact SD-CZ 3.46Å; M76-F78 WeakPolarHBondContact SD-CZ 3.19Å; M76-F95 HydrophobicContact SD-CD1 4.29Å; M76-F95 HydrophobicContact SD-CE1 3.83Å; M76-F95 HydrophobicContact SD-CZ 4.22Å
77L95.4Very high92.9Very high23 Ų2355.8 Ų55.812%0.1231%0.308CS..EExtended strand (participates in β ladder)trans-123140.4179.8178.5137.7000109.9T48 C49 V50 M79 H100 V102 M135T48-L77 PolarHBondContact O-N 2.73Å; C49-L77 CarbonylContact C-O 3.44Å; C49-L77 WeakPolarHBondContact CA-O 3.28Å; V50-L77 PolarHBondContact N-O 2.69Å; L77-M79 HydrophobicContact CD2-CG 4.08Å; L77-H100 HydrophobicContact CB-CB 4.33Å; L77-H100 HydrophobicContact CD1-CB 3.83Å; L77-H100 HydrophobicContact CG-CB 4.13Å; L77-V102 HydrophobicContact CD1-CG2 3.85Å; L77-V102 HydrophobicContact CD2-CB 4.28Å; L77-V102 HydrophobicContact CD2-CG2 4.06Å; L77-V102 HydrophobicContact CG-CG2 4.24Å; L77-M135 HydrophobicContact CD1-CG 4.23Å; L77-M135 HydrophobicContact CD1-SD 3.22Å; L77-M135 WeakPolarHBondContact CD1-SD 3.4Å; L77-M135 HydrophobicContact CD2-CE 3.55Å; L77-M135 HydrophobicContact CD2-SD 3.28Å; L77-M135 WeakPolarHBondContact CD2-SD 3.48Å; L77-M135 HydrophobicContact CG-SD 3.85Å
78F96.3Very high93Very high0 Ų052 Ų520%028%0.276CS..EExtended strand (participates in β ladder)trans-110120.2179.4-63.4-95.7000110.8V50 L52 L62 V65 M76 V80 A91 F95 V99 H100 I101 V102V50-F78 HydrophobicContact CB-CD1 3.62Å; V50-F78 HydrophobicContact CB-CE1 3.75Å; V50-F78 HydrophobicContact CB-CG 4.38Å; V50-F78 HydrophobicContact CG1-CD1 3.81Å; V50-F78 HydrophobicContact CG1-CE1 3.76Å; V50-F78 HydrophobicContact CG2-CD1 4.4Å; V50-F78 HydrophobicContact CG2-CE1 4.11Å; V50-F78 CarbonylContact O-C 3.59Å; V50-F78 VanDerWaalsContact O-CA 3.25Å; V50-F78 WeakPolarHBondContact O-CA 3.22Å; L52-F78 HydrophobicContact CD1-CB 4.11Å; L52-F78 HydrophobicContact CD1-CD1 3.66Å; L52-F78 HydrophobicContact CD1-CE1 4.5Å; L52-F78 HydrophobicContact CD1-CG 4.21Å; L52-F78 HydrophobicContact CD2-CD1 3.83Å; L52-F78 HydrophobicContact CD2-CE1 4.25Å; L52-F78 HydrophobicContact CG-CB 4.39Å; L52-F78 HydrophobicContact CG-CD1 3.75Å; L62-F78 HydrophobicContact CD2-CD1 4.36Å; L62-F78 HydrophobicContact CD2-CE1 3.7Å; L62-F78 HydrophobicContact CD2-CZ 4.3Å; V65-F78 HydrophobicContact CG2-CE1 4.07Å; V65-F78 HydrophobicContact CG2-CZ 4.27Å; M76-F78 HydrophobicContact CG-CE2 3.8Å; M76-F78 HydrophobicContact CG-CZ 3.96Å; M76-F78 HydrophobicContact SD-CE1 4.3Å; M76-F78 HydrophobicContact SD-CE2 3.86Å; M76-F78 HydrophobicContact SD-CZ 3.46Å; M76-F78 WeakPolarHBondContact SD-CZ 3.19Å; F78-V80 HydrophobicContact CB-CG2 4.4Å; F78-A91 HydrophobicContact CG-CB 4.41Å; F78-F95 HydrophobicContact CE1-CD2 4.4Å; F78-F95 HydrophobicContact CE1-CE2 4.25Å; F78-F95 HydrophobicContact CE2-CB 4.45Å; F78-F95 HydrophobicContact CE2-CD2 4.1Å; F78-F95 HydrophobicContact CE2-CG 4.11Å; F78-F95 HydrophobicContact CZ-CD1 4.29Å; F78-F95 AromaticContact CZ-CD2 3.55Å; F78-F95 HydrophobicContact CZ-CD2 3.55Å; F78-F95 HydrophobicContact CZ-CE1 4.34Å; F78-F95 AromaticContact CZ-CE2 3.64Å; F78-F95 HydrophobicContact CZ-CE2 3.64Å; F78-F95 AromaticContact CZ-CG 3.92Å; F78-F95 HydrophobicContact CZ-CG 3.92Å; F78-F95 HydrophobicContact CZ-CZ 4.04Å; F78-V99 HydrophobicContact CD2-CG2 3.33Å; F78-V99 HydrophobicContact CE2-CG2 3.31Å; F78-H100 PolarHBondContact N-O 3.47Å; F78-I101 HydrophobicContact CB-CD1 3.76Å; F78-I101 HydrophobicContact CD2-CD1 4.44Å; F78-I101 HydrophobicContact CG-CD1 4.41Å; F78-I101 WeakPolarHBondContact O-CA 3.3Å; F78-V102 PolarHBondContact O-N 3Å
79M95.6Very high93.2Very high0 Ų053.4 Ų53.40%029%0.287CS..EExtended strand (participates in β ladder)trans-89.6127.5168.4-77.2-172.3177.800109.6V50 L52 L77 V102 I104 E131 I132 M135 I151V50-M79 PolarHBondContact O-N 2.65Å; L52-M79 PolarHBondContact N-O 3.45Å; L77-M79 HydrophobicContact CD2-CG 4.08Å; M79-V102 CarbonylContact C-O 3.53Å; M79-V102 WeakPolarHBondContact CA-O 3.42Å; M79-V102 HydrophobicContact CG-CB 4.38Å; M79-V102 HydrophobicContact CG-CG1 4.47Å; M79-I104 HydrophobicContact CB-CD1 4.47Å; M79-E131 HydrophobicContact CE-CB 3.83Å; M79-I132 HydrophobicContact CE-CD1 3.64Å; M79-I132 HydrophobicContact CE-CG1 4.14Å; M79-M135 HydrophobicContact CE-CE 3.07Å; M79-M135 HydrophobicContact CG-CE 4.37Å; M79-M135 HydrophobicContact SD-CE 4.47Å; M79-I151 HydrophobicContact CB-CD1 4.34Å; M79-I151 HydrophobicContact CE-CG2 4.18Å; M79-I151 HydrophobicContact SD-CB 4.36Å; M79-I151 HydrophobicContact SD-CD1 3.71Å; M79-I151 HydrophobicContact SD-CG1 3.83Å; M79-I151 HydrophobicContact SD-CG2 3.57Å; M79-I151 VanDerWaalsContact SD-CG2 3.57Å
80V94.6Very high93.3Very high1 Ų153.1 Ų53.11%0.00628%0.281CS..EExtended strand (participates in β ladder)trans-132.2148.3-175.2-167.90000109.8L52 F78 D84 V88 I101 V102 Y103 I104L52-V80 HydrophobicContact CB-CG2 4.16Å; L52-V80 HydrophobicContact CD1-CG2 3.95Å; L52-V80 HydrophobicContact CG-CG2 4.35Å; F78-V80 HydrophobicContact CB-CG2 4.4Å; V80-D84 HydrophobicContact CG1-CB 4.07Å; V80-V88 HydrophobicContact CB-CG2 4.25Å; V80-V88 HydrophobicContact CG1-CG2 3.98Å; V80-V88 HydrophobicContact CG2-CG2 4.25Å; V80-I101 HydrophobicContact CG2-CG2 4.13Å; V80-V102 PolarHBondContact N-O 3.19Å; V80-Y103 WeakPolarHBondContact O-CA 3.44Å; V80-I104 WeakPolarHBondContact O-CG1 3.29Å; V80-I104 PolarHBondContact O-N 3.47Å
81A92.8Very high93.6Very high5 Ų546.9 Ų46.94%0.04126%0.258CS..EExtended strand (participates in β ladder)trans-62.1138.5170.400000111N83 D84 I104 R106A81-N83 PolarHBondContact O-N 2.92Å; A81-N83 VanDerWaalsContact O-N 3.12Å; A81-D84 HydrophobicContact CB-CB 4.06Å; A81-D84 PolarHBondContact O-N 3.25Å; A81-I104 CarbonylContact C-O 3.52Å; A81-I104 VanDerWaalsContact CA-O 3.32Å; A81-I104 WeakPolarHBondContact CA-O 3.42Å; A81-R106 HydrophobicContact CB-CB 4.03Å; A81-R106 HydrophobicContact CB-CG 4.28Å
82D89.7Confident93.8Very high80 Ų8044.8 Ų44.843%0.42824%0.243SC..THydrogen-bonded Turntrans-52.2-31.6177.956.4-1.4000114.5I104 T105 R106D82-I104 PolarHBondContact N-O 2.99Å; D82-T105 WeakPolarHBondContact OD2-CA 3.42Å; D82-T105 PolarHBondContact OD2-OG1 3.46Å; D82-R106 PolarHBondContact OD1-N 3.31Å
83N87.9Confident93.9Very high73 Ų7346.4 Ų46.439%0.3925%0.252SS..THydrogen-bonded Turntrans-100.724.8178.972.91.6000114.9A81 P85 R106A81-N83 PolarHBondContact O-N 2.92Å; A81-N83 VanDerWaalsContact O-N 3.12Å; N83-P85 VanDerWaalsContact C-CD 3.41Å; N83-P85 WeakPolarHBondContact O-CD 3.32Å; N83-R106 WeakPolarHBondContact OD1-CD 3.43Å; N83-R106 PolarHBondContact OD1-NH1 3.41Å; N83-R106 VanDerWaalsContact OD1-NH1 3.12Å
84D90.4Very high93.9Very high11 Ų1145.1 Ų45.16%0.05926%0.257CS..  trans-124.365.3-178.8-169.710.9000113.2S54 V80 A81 L86 S87S54-D84 WeakPolarHBondContact CA-OD2 3.35Å; S54-D84 VanDerWaalsContact CB-OD2 3.22Å; S54-D84 WeakPolarHBondContact CB-OD2 3.36Å; S54-D84 PolarHBondContact N-OD2 3.35Å; V80-D84 HydrophobicContact CG1-CB 4.07Å; A81-D84 HydrophobicContact CB-CB 4.06Å; A81-D84 PolarHBondContact O-N 3.25Å; D84-L86 PolarHBondContact O-N 3.44Å; D84-S87 PolarHBondContact O-N 2.97Å; D84-S87 PolarHBondContact OD1-N 3.37Å; D84-S87 PolarHBondContact OD1-OG 3.08Å; D84-S87 VanDerWaalsContact OD2-CB 3.24Å; D84-S87 WeakPolarHBondContact OD2-CB 2.96Å; D84-S87 PolarHBondContact OD2-OG 2.95Å
85P92.8Very high94Very high92 Ų9245.2 Ų45.260%0.59725%0.251SS*.Hα-helixtrans-62.8-27.8-179.626.4-34.9000112.5N83 S87 V88 T89N83-P85 VanDerWaalsContact C-CD 3.41Å; N83-P85 WeakPolarHBondContact O-CD 3.32Å; P85-S87 PolarHBondContact O-N 3.35Å; P85-V88 WeakPolarHBondContact O-CB 3.44Å; P85-V88 PolarHBondContact O-N 3.37Å; P85-T89 PolarHBondContact O-N 2.85Å; P85-T89 PolarHBondContact O-OG1 3.39Å
86L94Very high94Very high99 Ų9942.4 Ų42.452%0.51824%0.238SC..Hα-helixtrans-64.3-40.4178.9-178.362.8000111.8D84 V88 T89 K90D84-L86 PolarHBondContact O-N 3.44Å; L86-V88 VanDerWaalsContact C-N 3.28Å; L86-V88 PolarHBondContact O-N 2.87Å; L86-T89 PolarHBondContact O-N 3.28Å; L86-K90 WeakPolarHBondContact O-CG 3.42Å; L86-K90 PolarHBondContact O-N 2.91Å
87S94.2Very high93.8Very high1 Ų146.3 Ų46.31%0.00727%0.265CS..Hα-helixtrans-63.4-36.4175-73.40000112.3T58 D84 P85 K90 A91T58-S87 WeakPolarHBondContact CG2-OG 3.4Å; T58-S87 PolarHBondContact OG1-OG 2.95Å; D84-S87 PolarHBondContact O-N 2.97Å; D84-S87 PolarHBondContact OD1-N 3.37Å; D84-S87 PolarHBondContact OD1-OG 3.08Å; D84-S87 VanDerWaalsContact OD2-CB 3.24Å; D84-S87 WeakPolarHBondContact OD2-CB 2.96Å; D84-S87 PolarHBondContact OD2-OG 2.95Å; P85-S87 PolarHBondContact O-N 3.35Å; S87-K90 PolarHBondContact O-N 2.87Å; S87-A91 WeakPolarHBondContact O-CB 3.23Å; S87-A91 PolarHBondContact O-N 2.85Å
88V95.5Very high93.7Very high10 Ų1050.9 Ų50.96%0.06129%0.294CS..Hα-helixtrans-64.3-47.9175.7178.80000111V80 P85 L86 K90 A91 K92 I101 Y103V80-V88 HydrophobicContact CB-CG2 4.25Å; V80-V88 HydrophobicContact CG1-CG2 3.98Å; V80-V88 HydrophobicContact CG2-CG2 4.25Å; P85-V88 WeakPolarHBondContact O-CB 3.44Å; P85-V88 PolarHBondContact O-N 3.37Å; L86-V88 VanDerWaalsContact C-N 3.28Å; L86-V88 PolarHBondContact O-N 2.87Å; V88-K90 PolarHBondContact O-N 3.41Å; V88-A91 PolarHBondContact O-N 2.82Å; V88-K92 HydrophobicContact CG1-CD 4.18Å; V88-K92 WeakPolarHBondContact O-CG 3.26Å; V88-K92 PolarHBondContact O-N 3Å; V88-I101 HydrophobicContact CG1-CG1 4.21Å; V88-I101 HydrophobicContact CG1-CG2 4.36Å; V88-I101 HydrophobicContact CG2-CG2 4.03Å; V88-Y103 HydrophobicContact CG2-CE1 3.78Å
89T96Very high93.5Very high72 Ų7251.9 Ų51.944%0.44230%0.3SS..Hα-helixtrans-56.9-50.4176.6-54.10000110.5P85 L86 A91 K92 D93P85-T89 PolarHBondContact O-N 2.85Å; P85-T89 PolarHBondContact O-OG1 3.39Å; L86-T89 PolarHBondContact O-N 3.28Å; T89-A91 VanDerWaalsContact C-N 3.31Å; T89-A91 PolarHBondContact O-N 2.74Å; T89-K92 PolarHBondContact O-N 3.38Å; T89-K92 VanDerWaalsContact O-N 3.14Å; T89-D93 WeakPolarHBondContact O-CB 3.43Å; T89-D93 PolarHBondContact O-N 3.25Å
90K95.9Very high93.4Very high74 Ų7457.7 Ų57.732%0.32233%0.327SS..Hα-helixtrans-59.8-38.4178.6-70.8-179.4177.2-1760113.4T58 L62 L86 S87 V88 A94T58-K90 HydrophobicContact CG2-CB 4.3Å; T58-K90 HydrophobicContact CG2-CD 4.17Å; L62-K90 HydrophobicContact CD1-CB 3.58Å; L86-K90 WeakPolarHBondContact O-CG 3.42Å; L86-K90 PolarHBondContact O-N 2.91Å; S87-K90 PolarHBondContact O-N 2.87Å; V88-K90 PolarHBondContact O-N 3.41Å; K90-A94 WeakPolarHBondContact O-CB 3.45Å; K90-A94 PolarHBondContact O-N 3.41Å; K90-A94 VanDerWaalsContact O-N 3.09Å
91A95.8Very high93.5Very high0 Ų059.2 Ų59.20%034%0.335CS..Hα-helixtrans-66.3-43.9176.800000111.5L52 L62 F78 S87 V88 T89 A94 F95 I101L52-A91 HydrophobicContact CD1-CB 3.78Å; L62-A91 HydrophobicContact CD2-CB 4.24Å; F78-A91 HydrophobicContact CG-CB 4.41Å; S87-A91 WeakPolarHBondContact O-CB 3.23Å; S87-A91 PolarHBondContact O-N 2.85Å; V88-A91 PolarHBondContact O-N 2.82Å; T89-A91 VanDerWaalsContact C-N 3.31Å; T89-A91 PolarHBondContact O-N 2.74Å; A91-A94 PolarHBondContact O-N 2.88Å; A91-F95 WeakPolarHBondContact O-CB 3.34Å; A91-F95 PolarHBondContact O-N 3.21Å; A91-I101 HydrophobicContact CB-CD1 4.15Å
92K96.2Very high93.6Very high87 Ų8760 Ų6038%0.37834%0.339SS..Hα-helixtrans-65.4-39.3176.2-73.8-178.8174.6-173.30112.4V88 T89 A94 G96 V99V88-K92 HydrophobicContact CG1-CD 4.18Å; V88-K92 WeakPolarHBondContact O-CG 3.26Å; V88-K92 PolarHBondContact O-N 3Å; T89-K92 PolarHBondContact O-N 3.38Å; T89-K92 VanDerWaalsContact O-N 3.14Å; K92-A94 VanDerWaalsContact C-N 3.31Å; K92-A94 PolarHBondContact O-N 2.89Å; K92-G96 CarbonylContact O-C 3.51Å; K92-G96 WeakPolarHBondContact O-CA 3.41Å; K92-G96 PolarHBondContact O-N 3.48Å; K92-V99 HydrophobicContact CG-CG1 3.78Å
93D95.4Very high93.8Very high129 Ų12961.9 Ų61.969%0.6934%0.341SS*.Hα-helixtrans-63.7-38.2176.1-64.5-16.9000111.3T89T89-D93 WeakPolarHBondContact O-CB 3.43Å; T89-D93 PolarHBondContact O-N 3.25Å
94A93.7Very high94Very high50 Ų5058.5 Ų58.541%0.41332%0.323SS..Hα-helixtrans-83.8-32-177.600000114.6K90 A91 K92K90-A94 WeakPolarHBondContact O-CB 3.45Å; K90-A94 PolarHBondContact O-N 3.41Å; K90-A94 VanDerWaalsContact O-N 3.09Å; A91-A94 PolarHBondContact O-N 2.88Å; K92-A94 VanDerWaalsContact C-N 3.31Å; K92-A94 PolarHBondContact O-N 2.89Å
95F93.7Very high93.9Very high34 Ų3459.4 Ų59.415%0.14933%0.328CS..Hα-helixtrans-120.3-1.7-171.9-68.2-89.9000114.4L62 V65 M76 F78 A91 V99L62-F95 HydrophobicContact CD2-CD2 4.13Å; L62-F95 HydrophobicContact CD2-CE2 3.71Å; V65-F95 HydrophobicContact CB-CZ 4.32Å; V65-F95 HydrophobicContact CG2-CE1 4.48Å; V65-F95 HydrophobicContact CG2-CE2 3.84Å; V65-F95 HydrophobicContact CG2-CZ 3.47Å; V65-F95 VanDerWaalsContact CG2-CZ 3.47Å; M76-F95 HydrophobicContact SD-CD1 4.29Å; M76-F95 HydrophobicContact SD-CE1 3.83Å; M76-F95 HydrophobicContact SD-CZ 4.22Å; F78-F95 HydrophobicContact CE1-CD2 4.4Å; F78-F95 HydrophobicContact CE1-CE2 4.25Å; F78-F95 HydrophobicContact CE2-CB 4.45Å; F78-F95 HydrophobicContact CE2-CD2 4.1Å; F78-F95 HydrophobicContact CE2-CG 4.11Å; F78-F95 HydrophobicContact CZ-CD1 4.29Å; F78-F95 AromaticContact CZ-CD2 3.55Å; F78-F95 HydrophobicContact CZ-CD2 3.55Å; F78-F95 HydrophobicContact CZ-CE1 4.34Å; F78-F95 AromaticContact CZ-CE2 3.64Å; F78-F95 HydrophobicContact CZ-CE2 3.64Å; F78-F95 AromaticContact CZ-CG 3.92Å; F78-F95 HydrophobicContact CZ-CG 3.92Å; F78-F95 HydrophobicContact CZ-CZ 4.04Å; A91-F95 WeakPolarHBondContact O-CB 3.34Å; A91-F95 PolarHBondContact O-N 3.21Å; F95-V99 HydrophobicContact CB-CB 4.15Å; F95-V99 HydrophobicContact CB-CG2 3.94Å
96G92.9Very high93.4Very high23 Ų2356.7 Ų56.724%0.23731%0.307CS..  trans97.2160.8-179.900000113.4K92 T98 V99K92-G96 CarbonylContact O-C 3.51Å; K92-G96 WeakPolarHBondContact O-CA 3.41Å; K92-G96 PolarHBondContact O-N 3.48Å; G96-T98 PolarHBondContact O-N 3.47Å; G96-V99 WeakPolarHBondContact O-CB 3.31Å; G96-V99 VanDerWaalsContact O-CG1 3.27Å; G96-V99 WeakPolarHBondContact O-CG1 3.44Å; G96-V99 PolarHBondContact O-N 3.24Å
97P91.7Very high92.6Very high109 Ų10952.5 Ų52.571%0.70829%0.285SS*.THydrogen-bonded Turntrans-67.5-21.2-173.827.3-35.4000113.8V99P97-V99 VanDerWaalsContact C-N 3.32Å
98T91.9Very high91.8Very high119 Ų11958.3 Ų58.373%0.7331%0.307SS*.THydrogen-bonded Turntrans-88.33.8-178.758.40000113.4G96 H100G96-T98 PolarHBondContact O-N 3.47Å; T98-H100 PolarHBondContact O-CD2 2.96Å; T98-H100 PolarHBondContact O-N 3.17Å
99V92.6Very high90.6Very high21 Ų2163.5 Ų63.513%0.12733%0.33CS..  trans-60.4136.6177.470.60000110.6F78 K92 F95 G96 P97 I101F78-V99 HydrophobicContact CD2-CG2 3.33Å; F78-V99 HydrophobicContact CE2-CG2 3.31Å; K92-V99 HydrophobicContact CG-CG1 3.78Å; F95-V99 HydrophobicContact CB-CB 4.15Å; F95-V99 HydrophobicContact CB-CG2 3.94Å; G96-V99 WeakPolarHBondContact O-CB 3.31Å; G96-V99 VanDerWaalsContact O-CG1 3.27Å; G96-V99 WeakPolarHBondContact O-CG1 3.44Å; G96-V99 PolarHBondContact O-N 3.24Å; P97-V99 VanDerWaalsContact C-N 3.32Å; V99-I101 HydrophobicContact CG1-CD1 3.82Å; V99-I101 HydrophobicContact CG1-CG1 4.19Å; V99-I101 PolarHBondContact O-N 3.24Å
100H94.7Very high89.1Confident122 Ų12265.4 Ų65.457%0.56534%0.342SS*.EExtended strand (participates in β ladder)trans-76.3119.1-177.9-71.6-158.4000110.2L77 F78 T98L77-H100 HydrophobicContact CB-CB 4.33Å; L77-H100 HydrophobicContact CD1-CB 3.83Å; L77-H100 HydrophobicContact CG-CB 4.13Å; F78-H100 PolarHBondContact N-O 3.47Å; T98-H100 PolarHBondContact O-CD2 2.96Å; T98-H100 PolarHBondContact O-N 3.17Å
101I95.5Very high87.7Confident32 Ų3271.4 Ų71.416%0.16437%0.368CS..EExtended strand (participates in β ladder)trans-114.5131.5179.1-55.6-59.6000109.2F78 V80 V88 A91 V99 Y103F78-I101 HydrophobicContact CB-CD1 3.76Å; F78-I101 HydrophobicContact CD2-CD1 4.44Å; F78-I101 HydrophobicContact CG-CD1 4.41Å; F78-I101 WeakPolarHBondContact O-CA 3.3Å; V80-I101 HydrophobicContact CG2-CG2 4.13Å; V88-I101 HydrophobicContact CG1-CG1 4.21Å; V88-I101 HydrophobicContact CG1-CG2 4.36Å; V88-I101 HydrophobicContact CG2-CG2 4.03Å; A91-I101 HydrophobicContact CB-CD1 4.15Å; V99-I101 HydrophobicContact CG1-CD1 3.82Å; V99-I101 HydrophobicContact CG1-CG1 4.19Å; V99-I101 PolarHBondContact O-N 3.24Å; I101-Y103 HydrophobicContact CG2-CE1 4.25Å; I101-Y103 HydrophobicContact CG2-CE2 4Å
102V94.8Very high86.7Confident21 Ų2173.4 Ų73.413%0.12738%0.377CS..EExtended strand (participates in β ladder)trans-121.7134.1173.5171.10000109.1L77 F78 M79 V80 E131 M135L77-V102 HydrophobicContact CD1-CG2 3.85Å; L77-V102 HydrophobicContact CD2-CB 4.28Å; L77-V102 HydrophobicContact CD2-CG2 4.06Å; L77-V102 HydrophobicContact CG-CG2 4.24Å; F78-V102 PolarHBondContact O-N 3Å; M79-V102 CarbonylContact C-O 3.53Å; M79-V102 WeakPolarHBondContact CA-O 3.42Å; M79-V102 HydrophobicContact CG-CB 4.38Å; M79-V102 HydrophobicContact CG-CG1 4.47Å; V80-V102 PolarHBondContact N-O 3.19Å; V102-E131 HydrophobicContact CG1-CB 4.18Å; V102-E131 VanDerWaalsContact CG1-CD 3.44Å; V102-E131 HydrophobicContact CG1-CG 3.53Å; V102-E131 WeakPolarHBondContact CG1-OE2 3.33Å; V102-M135 HydrophobicContact CB-SD 4.46Å; V102-M135 HydrophobicContact CG2-SD 3.72Å
103Y94.1Very high85.8Confident121 Ų12173.6 Ų73.648%0.47539%0.387SS..EExtended strand (participates in β ladder)trans-99138.9-179-61.4-86.8000110.7V80 V88 I101V80-Y103 WeakPolarHBondContact O-CA 3.44Å; V88-Y103 HydrophobicContact CG2-CE1 3.78Å; I101-Y103 HydrophobicContact CG2-CE1 4.25Å; I101-Y103 HydrophobicContact CG2-CE2 4Å
104I92.1Very high84.8Confident2 Ų273.2 Ų73.21%0.0139%0.385CS..EExtended strand (participates in β ladder)trans-133.6148173.953.2175.7000110M79 V80 A81 D82 R106 Q127 T147 I151M79-I104 HydrophobicContact CB-CD1 4.47Å; V80-I104 WeakPolarHBondContact O-CG1 3.29Å; V80-I104 PolarHBondContact O-N 3.47Å; A81-I104 CarbonylContact C-O 3.52Å; A81-I104 VanDerWaalsContact CA-O 3.32Å; A81-I104 WeakPolarHBondContact CA-O 3.42Å; D82-I104 PolarHBondContact N-O 2.99Å; I104-R106 PolarHBondContact O-N 2.87Å; I104-Q127 HydrophobicContact CG2-CB 4.49Å; I104-T147 HydrophobicContact CD1-CG2 3.39Å; I104-T147 HydrophobicContact CG1-CG2 3.87Å; I104-I151 HydrophobicContact CD1-CD1 3.16Å; I104-I151 HydrophobicContact CD1-CG1 3.58Å
105T88.6Confident84Confident29 Ų2975.1 Ų75.118%0.17840%0.4CS..  trans-62.4130.3178.5-67.60000110.4D82 C107 P120 I123 S124 Q127D82-T105 WeakPolarHBondContact OD2-CA 3.42Å; D82-T105 PolarHBondContact OD2-OG1 3.46Å; T105-C107 PolarHBondContact O-N 3.39Å; T105-P120 HydrophobicContact CG2-CB 4.44Å; T105-I123 HydrophobicContact CG2-CG2 4.29Å; T105-S124 VanDerWaalsContact O-CB 3.23Å; T105-S124 WeakPolarHBondContact O-CB 3.27Å; T105-S124 PolarHBondContact O-OG 3.05Å; T105-Q127 PolarHBondContact OG1-NE2 3.31Å; T105-Q127 VanDerWaalsContact OG1-NE2 3.09Å; T105-Q127 PolarHBondContact OG1-OE1 3.25Å; T105-Q127 VanDerWaalsContact OG1-OE1 3.05Å
106R82.8Confident83.3Confident36 Ų3675.8 Ų75.814%0.13641%0.409CS..  trans-68.9121.7177.5-171.6166.5-178.6154.19.1111.4S54 A81 D82 N83 I104 R108S54-R106 PolarHBondContact OG-NH2 2.91Å; A81-R106 HydrophobicContact CB-CB 4.03Å; A81-R106 HydrophobicContact CB-CG 4.28Å; D82-R106 PolarHBondContact OD1-N 3.31Å; N83-R106 WeakPolarHBondContact OD1-CD 3.43Å; N83-R106 PolarHBondContact OD1-NH1 3.41Å; N83-R106 VanDerWaalsContact OD1-NH1 3.12Å; I104-R106 PolarHBondContact O-N 2.87Å; R106-R108 VanDerWaalsContact C-N 3.35Å; R106-R108 PolarHBondContact NE-O 2.76Å; R106-R108 VanDerWaalsContact NE-O 3.1Å; R106-R108 PolarHBondContact O-N 3Å
107C77.1Confident82.8Confident10 Ų1075.8 Ų75.87%0.06840%0.404CS..SBendtrans-68.4-32.6-179.8-51.10000114T105 T117 S124 P150T105-C107 PolarHBondContact O-N 3.39Å; C107-T117 VanDerWaalsContact O-CB 3.3Å; C107-T117 WeakPolarHBondContact O-CB 3.37Å; C107-T117 WeakPolarHBondContact O-CG2 3.34Å; C107-S124 WeakPolarHBondContact SG-CB 3.25Å; C107-S124 PolarHBondContact SG-OG 2.89Å; C107-P150 WeakPolarHBondContact SG-CG 3.46Å
108R75.8Confident82.4Confident124 Ų12476.9 Ų76.947%0.46840%0.398SS..  trans-148.8126.2-172.2-167.9176.889.21210.6112R106 Q112 T117R106-R108 VanDerWaalsContact C-N 3.35Å; R106-R108 PolarHBondContact NE-O 2.76Å; R106-R108 VanDerWaalsContact NE-O 3.1Å; R106-R108 PolarHBondContact O-N 3Å; R108-Q112 HydrophobicContact CG-CB 4.18Å; R108-T117 HydrophobicContact CB-CG2 3.78Å; R108-T117 HydrophobicContact CG-CG2 3.56Å
109Q70.4Confident82.2Confident118 Ų11878.3 Ų78.355%0.55140%0.395SS*.  trans-80.1156166.2-61.8-173.9-0.300111.1K111 Q112Q109-K111 PolarHBondContact O-N 3.12Å; Q109-Q112 HydrophobicContact CB-CB 4.16Å; Q109-Q112 WeakPolarHBondContact O-CB 3.32Å; Q109-Q112 PolarHBondContact O-N 3.14Å; Q109-Q112 VanDerWaalsContact O-N 3.13Å
110V64.9Low81.9Confident113 Ų11378.8 Ų78.869%0.68540%0.398SS*.THydrogen-bonded Turntrans-60.6127177-179.70000108.5Q112V110-Q112 VanDerWaalsContact C-N 3.34Å; V110-Q112 PolarHBondContact O-N 2.88Å
111K66.5Low81.6Confident199 Ų19973.9 Ų73.987%0.86538%0.381SS*.THydrogen-bonded Turntrans71.48.6-175.6-57171.5180-179.10117.1Q109Q109-K111 PolarHBondContact O-N 3.12Å
112Q74.7Confident81.4Confident43 Ų4375.8 Ų75.820%0.20139%0.391CS..  trans-71.2136.9175.7-176.2178.15.100112.1R108 Q109 V110 S116 T117R108-Q112 HydrophobicContact CG-CB 4.18Å; Q109-Q112 HydrophobicContact CB-CB 4.16Å; Q109-Q112 WeakPolarHBondContact O-CB 3.32Å; Q109-Q112 PolarHBondContact O-N 3.14Å; Q109-Q112 VanDerWaalsContact O-N 3.13Å; V110-Q112 VanDerWaalsContact C-N 3.34Å; V110-Q112 PolarHBondContact O-N 2.88Å; Q112-S116 WeakPolarHBondContact CG-OG 3.28Å; Q112-S116 PolarHBondContact NE2-O 2.72Å; Q112-S116 PolarHBondContact NE2-OG 3.31Å; Q112-T117 HydrophobicContact CG-CG2 4.44Å
113P77.5Confident81.3Confident90 Ų9078.8 Ų78.858%0.58441%0.405SS*.  trans-65.8141.5176.525.1-32.5000111.7A115 S116P113-A115 VanDerWaalsContact C-N 3.29Å; P113-A115 PolarHBondContact O-N 3.24Å; P113-S116 PolarHBondContact O-N 2.95Å; P113-S116 VanDerWaalsContact O-N 3.08Å; P113-S116 PolarHBondContact O-OG 2.57Å
114L75Confident81.2Confident122 Ų12273 Ų7364%0.63938%0.382SS*.G310 helixtrans-60.6-33.4-172.3-17066.5000113.4S116 T117L114-S116 VanDerWaalsContact C-N 3.27Å; L114-S116 PolarHBondContact O-N 2.7Å; L114-T117 PolarHBondContact O-N 3.33Å; L114-T117 VanDerWaalsContact O-N 3.13Å; L114-T117 PolarHBondContact O-OG1 2.87Å
115A77.3Confident81.3Confident89 Ų8975 Ų7574%0.73639%0.393SS*.G310 helixtrans-60.8-38.1177.400000112.2P113 T117 F118P113-A115 VanDerWaalsContact C-N 3.29Å; P113-A115 PolarHBondContact O-N 3.24Å; A115-T117 PolarHBondContact O-N 2.86Å; A115-F118 WeakPolarHBondContact O-CB 3.49Å; A115-F118 PolarHBondContact O-N 2.84Å
116S79.1Confident81.7Confident48 Ų4879 Ų7934%0.33641%0.412SS..G310 helixtrans-75.1-6.2-18069.60000114Q112 P113 L114 F118 P120Q112-S116 WeakPolarHBondContact CG-OG 3.28Å; Q112-S116 PolarHBondContact NE2-O 2.72Å; Q112-S116 PolarHBondContact NE2-OG 3.31Å; P113-S116 PolarHBondContact O-N 2.95Å; P113-S116 VanDerWaalsContact O-N 3.08Å; P113-S116 PolarHBondContact O-OG 2.57Å; L114-S116 VanDerWaalsContact C-N 3.27Å; L114-S116 PolarHBondContact O-N 2.7Å; S116-F118 VanDerWaalsContact C-N 3.31Å; S116-P120 WeakPolarHBondContact O-CD 3.37Å
117T82.2Confident82.3Confident23 Ų2380.4 Ų80.414%0.14142%0.421CS..G310 helixtrans-85-5.9175.568.20000112.9C107 R108 Q112 L114 A115 G121C107-T117 VanDerWaalsContact O-CB 3.3Å; C107-T117 WeakPolarHBondContact O-CB 3.37Å; C107-T117 WeakPolarHBondContact O-CG2 3.34Å; R108-T117 HydrophobicContact CB-CG2 3.78Å; R108-T117 HydrophobicContact CG-CG2 3.56Å; Q112-T117 HydrophobicContact CG-CG2 4.44Å; L114-T117 PolarHBondContact O-N 3.33Å; L114-T117 VanDerWaalsContact O-N 3.13Å; L114-T117 PolarHBondContact O-OG1 2.87Å; A115-T117 PolarHBondContact O-N 2.86Å; T117-G121 WeakPolarHBondContact O-CA 3.25Å; T117-G121 PolarHBondContact O-N 2.86Å
118F83.4Confident83.2Confident132 Ų13280 Ų8058%0.57942%0.417SS*.Hα-helixtrans-61.8-56.6-175.8-174.8-102.7000112.3A115 S116 G121 I122A115-F118 WeakPolarHBondContact O-CB 3.49Å; A115-F118 PolarHBondContact O-N 2.84Å; S116-F118 VanDerWaalsContact C-N 3.31Å; F118-G121 PolarHBondContact O-N 2.86Å; F118-I122 HydrophobicContact CD1-CD1 3.97Å; F118-I122 HydrophobicContact CE1-CD1 3.46Å; F118-I122 VanDerWaalsContact CE1-CD1 3.46Å; F118-I122 HydrophobicContact CE2-CD1 4.31Å; F118-I122 HydrophobicContact CZ-CD1 3.66Å; F118-I122 WeakPolarHBondContact O-CG1 3.47Å; F118-I122 PolarHBondContact O-N 3.1Å
119F86.5Confident84.2Confident149 Ų14976.8 Ų76.865%0.65441%0.407SS*.Hα-helixtrans-66.4-48.4-179-66.5-73.4000113.5G121 I122 I123F119-G121 PolarHBondContact O-N 2.79Å; F119-I122 PolarHBondContact O-N 2.8Å; F119-I122 VanDerWaalsContact O-N 3.16Å; F119-I123 WeakPolarHBondContact O-CG1 3.41Å; F119-I123 PolarHBondContact O-N 2.85Å
120P86.9Confident85.4Confident32 Ų3273.9 Ų73.921%0.20840%0.403CS..Hα-helixtrans-59.3-32.8173.4-24.335000112.7T105 S116 S124T105-P120 HydrophobicContact CG2-CB 4.44Å; S116-P120 WeakPolarHBondContact O-CD 3.37Å; P120-S124 WeakPolarHBondContact O-CB 3.39Å; P120-S124 PolarHBondContact O-N 3.13Å
121G88.8Confident86.8Confident19 Ų1970.9 Ų70.920%0.19638%0.382CS..Hα-helixtrans-62.6-45.6174.600000112.8T117 F118 F119 S124 L125T117-G121 WeakPolarHBondContact O-CA 3.25Å; T117-G121 PolarHBondContact O-N 2.86Å; F118-G121 PolarHBondContact O-N 2.86Å; F119-G121 PolarHBondContact O-N 2.79Å; G121-S124 PolarHBondContact O-N 3.25Å; G121-L125 WeakPolarHBondContact O-CB 3.4Å; G121-L125 PolarHBondContact O-N 3.3Å
122I90.5Very high88.3Confident72 Ų7261.7 Ų61.737%0.36934%0.342SS..Hα-helixtrans-64-46.1176.4-67171.2000110.9F118 F119 S124 L125 L126F118-I122 HydrophobicContact CD1-CD1 3.97Å; F118-I122 HydrophobicContact CE1-CD1 3.46Å; F118-I122 VanDerWaalsContact CE1-CD1 3.46Å; F118-I122 HydrophobicContact CE2-CD1 4.31Å; F118-I122 HydrophobicContact CZ-CD1 3.66Å; F118-I122 WeakPolarHBondContact O-CG1 3.47Å; F118-I122 PolarHBondContact O-N 3.1Å; F119-I122 PolarHBondContact O-N 2.8Å; F119-I122 VanDerWaalsContact O-N 3.16Å; I122-S124 VanDerWaalsContact C-N 3.34Å; I122-S124 PolarHBondContact O-N 2.77Å; I122-L125 WeakPolarHBondContact O-CB 3.27Å; I122-L125 PolarHBondContact O-N 3.49Å; I122-L125 VanDerWaalsContact O-N 3.15Å; I122-L126 HydrophobicContact CG2-CD1 4.2Å; I122-L126 HydrophobicContact CG2-CG 4.45Å; I122-L126 WeakPolarHBondContact O-CG 3.42Å; I122-L126 PolarHBondContact O-N 3.19Å
123I92.8Very high89.3Confident83 Ų8364.6 Ų64.643%0.42635%0.354SS..Hα-helixtrans-60.1-47.8178.6-65.3169.1000110.1T105 F119 L125 L126 Q127T105-I123 HydrophobicContact CG2-CG2 4.29Å; F119-I123 WeakPolarHBondContact O-CG1 3.41Å; F119-I123 PolarHBondContact O-N 2.85Å; I123-L125 VanDerWaalsContact C-N 3.26Å; I123-L125 PolarHBondContact O-N 2.95Å; I123-L126 PolarHBondContact O-N 3Å; I123-Q127 HydrophobicContact CG2-CG 4.47Å; I123-Q127 WeakPolarHBondContact O-CB 3.3Å; I123-Q127 WeakPolarHBondContact O-CG 3.06Å; I123-Q127 PolarHBondContact O-N 3.47Å
124S92.9Very high90.1Very high0 Ų069.8 Ų69.80%036%0.362CS..Hα-helixtrans-59.7-36.8176.4-169.40000112.2T105 C107 P120 G121 I122 S128T105-S124 VanDerWaalsContact O-CB 3.23Å; T105-S124 WeakPolarHBondContact O-CB 3.27Å; T105-S124 PolarHBondContact O-OG 3.05Å; C107-S124 WeakPolarHBondContact SG-CB 3.25Å; C107-S124 PolarHBondContact SG-OG 2.89Å; P120-S124 WeakPolarHBondContact O-CB 3.39Å; P120-S124 PolarHBondContact O-N 3.13Å; G121-S124 PolarHBondContact O-N 3.25Å; I122-S124 VanDerWaalsContact C-N 3.34Å; I122-S124 PolarHBondContact O-N 2.77Å; S124-S128 WeakPolarHBondContact O-CB 3.22Å; S124-S128 PolarHBondContact O-N 3.34Å; S124-S128 PolarHBondContact O-OG 3.02Å
125L94.5Very high91Very high45 Ų4565.8 Ų65.824%0.23634%0.341CS..Hα-helixtrans-65.8-47.7175-177.661.4000112.2G121 I122 I123 S128 F129 P150 M153 A154G121-L125 WeakPolarHBondContact O-CB 3.4Å; G121-L125 PolarHBondContact O-N 3.3Å; I122-L125 WeakPolarHBondContact O-CB 3.27Å; I122-L125 PolarHBondContact O-N 3.49Å; I122-L125 VanDerWaalsContact O-N 3.15Å; I123-L125 VanDerWaalsContact C-N 3.26Å; I123-L125 PolarHBondContact O-N 2.95Å; L125-S128 WeakPolarHBondContact O-CB 3.3Å; L125-S128 PolarHBondContact O-N 3.48Å; L125-F129 HydrophobicContact CD1-CD2 4.02Å; L125-F129 HydrophobicContact CD1-CE2 3.6Å; L125-F129 HydrophobicContact CD1-CZ 4.47Å; L125-F129 HydrophobicContact CD2-CE2 4.28Å; L125-F129 HydrophobicContact CG-CD2 3.97Å; L125-F129 HydrophobicContact CG-CE2 3.71Å; L125-F129 WeakPolarHBondContact O-CD2 3.37Å; L125-F129 PolarHBondContact O-N 3.16Å; L125-P150 HydrophobicContact CB-CB 3.98Å; L125-P150 HydrophobicContact CD1-CB 4.08Å; L125-P150 WeakPolarHBondContact CD1-O 3.45Å; L125-M153 HydrophobicContact CD1-CB 4.09Å; L125-M153 HydrophobicContact CD1-CE 4.12Å; L125-A154 HydrophobicContact CD1-CB 4.44Å
126L95.5Very high91.8Very high112 Ų11268.7 Ų68.759%0.58633%0.333SS*.Hα-helixtrans-63.4-43.1178.4-66.9175.8000111.9I122 I123 S128 F129 A130I122-L126 HydrophobicContact CG2-CD1 4.2Å; I122-L126 HydrophobicContact CG2-CG 4.45Å; I122-L126 WeakPolarHBondContact O-CG 3.42Å; I122-L126 PolarHBondContact O-N 3.19Å; I123-L126 PolarHBondContact O-N 3Å; L126-S128 VanDerWaalsContact C-N 3.34Å; L126-F129 WeakPolarHBondContact O-CB 3.24Å; L126-F129 PolarHBondContact O-N 3.21Å; L126-A130 PolarHBondContact O-N 3.34Å; L126-A130 VanDerWaalsContact O-N 3.09Å
127Q96Very high92.6Very high66 Ų6666.9 Ų66.931%0.30832%0.32SS..Hα-helixtrans-61.5-43.7172.7-72.7169.8-19.600111.2I104 T105 I123 F129 A130 E131I104-Q127 HydrophobicContact CG2-CB 4.49Å; T105-Q127 PolarHBondContact OG1-NE2 3.31Å; T105-Q127 VanDerWaalsContact OG1-NE2 3.09Å; T105-Q127 PolarHBondContact OG1-OE1 3.25Å; T105-Q127 VanDerWaalsContact OG1-OE1 3.05Å; I123-Q127 HydrophobicContact CG2-CG 4.47Å; I123-Q127 WeakPolarHBondContact O-CB 3.3Å; I123-Q127 WeakPolarHBondContact O-CG 3.06Å; I123-Q127 PolarHBondContact O-N 3.47Å; Q127-F129 VanDerWaalsContact C-N 3.3Å; Q127-F129 PolarHBondContact O-N 3.5Å; Q127-A130 PolarHBondContact O-N 3.28Å; Q127-A130 VanDerWaalsContact O-N 3.16Å; Q127-E131 WeakPolarHBondContact O-CG 3.27Å; Q127-E131 PolarHBondContact O-N 3.18Å
128S95.8Very high93.2Very high0 Ų068.2 Ų68.20%032%0.324CS..Hα-helixtrans-58.3-42.2175.9-64.20000111.6S124 L125 L126 E131 I132 I151S124-S128 WeakPolarHBondContact O-CB 3.22Å; S124-S128 PolarHBondContact O-N 3.34Å; S124-S128 PolarHBondContact O-OG 3.02Å; L125-S128 WeakPolarHBondContact O-CB 3.3Å; L125-S128 PolarHBondContact O-N 3.48Å; L126-S128 VanDerWaalsContact C-N 3.34Å; S128-E131 PolarHBondContact O-N 3.28Å; S128-I132 VanDerWaalsContact O-CB 3.26Å; S128-I132 WeakPolarHBondContact O-CB 3.49Å; S128-I132 WeakPolarHBondContact O-CG1 3.38Å; S128-I132 PolarHBondContact O-N 3.04Å; S128-I151 WeakPolarHBondContact OG-CG1 3.47Å; S128-I151 PolarHBondContact OG-N 3.13Å
129F96.1Very high93.8Very high58 Ų5862.6 Ų62.625%0.25430%0.3SS..Hα-helixtrans-59.9-47.2174.4-86.1-69.8000112.5L125 L126 Q127 F133 A154 V157 M158L125-F129 HydrophobicContact CD1-CD2 4.02Å; L125-F129 HydrophobicContact CD1-CE2 3.6Å; L125-F129 HydrophobicContact CD1-CZ 4.47Å; L125-F129 HydrophobicContact CD2-CE2 4.28Å; L125-F129 HydrophobicContact CG-CD2 3.97Å; L125-F129 HydrophobicContact CG-CE2 3.71Å; L125-F129 WeakPolarHBondContact O-CD2 3.37Å; L125-F129 PolarHBondContact O-N 3.16Å; L126-F129 WeakPolarHBondContact O-CB 3.24Å; L126-F129 PolarHBondContact O-N 3.21Å; Q127-F129 VanDerWaalsContact C-N 3.3Å; Q127-F129 PolarHBondContact O-N 3.5Å; F129-F133 WeakPolarHBondContact O-CB 3.28Å; F129-F133 PolarHBondContact O-N 2.68Å; F129-A154 HydrophobicContact CB-CB 4.5Å; F129-A154 HydrophobicContact CD1-CB 3.91Å; F129-A154 HydrophobicContact CD2-CB 4.13Å; F129-A154 HydrophobicContact CE1-CB 4.11Å; F129-A154 HydrophobicContact CE2-CB 4.31Å; F129-A154 HydrophobicContact CG-CB 3.91Å; F129-A154 HydrophobicContact CZ-CB 4.3Å; F129-V157 HydrophobicContact CE1-CB 3.74Å; F129-V157 HydrophobicContact CE1-CG1 3.68Å; F129-V157 HydrophobicContact CZ-CB 3.8Å; F129-V157 HydrophobicContact CZ-CG1 3.82Å; F129-V157 HydrophobicContact CZ-CG2 4.17Å; F129-M158 HydrophobicContact CD1-CG 3.99Å; F129-M158 HydrophobicContact CD1-SD 4.45Å; F129-M158 HydrophobicContact CE1-CG 4.19Å
130A96.2Very high94.3Very high57 Ų5755.5 Ų55.547%0.47127%0.269SS..Hα-helixtrans-60.7-4717900000111.7L126 Q127 F133 R134L126-A130 PolarHBondContact O-N 3.34Å; L126-A130 VanDerWaalsContact O-N 3.09Å; Q127-A130 PolarHBondContact O-N 3.28Å; Q127-A130 VanDerWaalsContact O-N 3.16Å; A130-F133 PolarHBondContact O-N 2.95Å; A130-R134 WeakPolarHBondContact O-CB 3.46Å; A130-R134 PolarHBondContact O-N 3.03Å
131E95.6Very high94.8Very high49 Ų4954.3 Ų54.323%0.22926%0.261CS..Hα-helixtrans-69-45-178.4-66.3-56.314600112.1M79 V102 Q127 S128 F133 R134 M135M79-E131 HydrophobicContact CE-CB 3.83Å; V102-E131 HydrophobicContact CG1-CB 4.18Å; V102-E131 VanDerWaalsContact CG1-CD 3.44Å; V102-E131 HydrophobicContact CG1-CG 3.53Å; V102-E131 WeakPolarHBondContact CG1-OE2 3.33Å; Q127-E131 WeakPolarHBondContact O-CG 3.27Å; Q127-E131 PolarHBondContact O-N 3.18Å; S128-E131 PolarHBondContact O-N 3.28Å; E131-F133 VanDerWaalsContact C-N 3.32Å; E131-F133 PolarHBondContact O-N 3.41Å; E131-R134 PolarHBondContact O-N 3.5Å; E131-M135 HydrophobicContact CB-CE 4Å; E131-M135 VanDerWaalsContact O-CB 3.29Å; E131-M135 WeakPolarHBondContact O-CB 3.43Å; E131-M135 WeakPolarHBondContact O-CG 3.2Å; E131-M135 PolarHBondContact O-N 3.39Å
132I96.4Very high95.2Very high7 Ų753.4 Ų53.44%0.03625%0.252CS..Hα-helixtrans-62.8-40.1175.5-66.5-61.7000111.2M79 S128 R134 R136 P137 I140 I151 A154 A155 M158M79-I132 HydrophobicContact CE-CD1 3.64Å; M79-I132 HydrophobicContact CE-CG1 4.14Å; S128-I132 VanDerWaalsContact O-CB 3.26Å; S128-I132 WeakPolarHBondContact O-CB 3.49Å; S128-I132 WeakPolarHBondContact O-CG1 3.38Å; S128-I132 PolarHBondContact O-N 3.04Å; I132-R134 VanDerWaalsContact C-N 3.35Å; I132-R134 PolarHBondContact O-N 2.63Å; I132-R136 PolarHBondContact O-N 3.46Å; I132-P137 HydrophobicContact CD1-CG 3.63Å; I132-I140 HydrophobicContact CD1-CD1 3.83Å; I132-I151 HydrophobicContact CD1-CG2 4.21Å; I132-A154 HydrophobicContact CG1-CB 4.29Å; I132-A155 HydrophobicContact CD1-CB 4.35Å; I132-A155 HydrophobicContact CG1-CB 4.48Å; I132-A155 HydrophobicContact CG2-CB 4.34Å; I132-M158 HydrophobicContact CG2-CB 4.17Å; I132-M158 HydrophobicContact CG2-CG 4.08Å
133F95.8Very high95.3Very high104 Ų10450.1 Ų50.146%0.45624%0.235SC..Hα-helixtrans-62.1-42.5176.6-175.7-82000112.2F129 A130 E131 R136 M158 L162 R164F129-F133 WeakPolarHBondContact O-CB 3.28Å; F129-F133 PolarHBondContact O-N 2.68Å; A130-F133 PolarHBondContact O-N 2.95Å; E131-F133 VanDerWaalsContact C-N 3.32Å; E131-F133 PolarHBondContact O-N 3.41Å; F133-R136 WeakPolarHBondContact O-CG 3.27Å; F133-M158 HydrophobicContact CB-CE 3.78Å; F133-M158 HydrophobicContact CB-SD 4.49Å; F133-M158 HydrophobicContact CD2-CE 3.45Å; F133-M158 VanDerWaalsContact CD2-CE 3.45Å; F133-M158 HydrophobicContact CD2-SD 4.06Å; F133-M158 HydrophobicContact CE2-CE 4.39Å; F133-M158 HydrophobicContact CG-CE 4.01Å; F133-L162 HydrophobicContact CD2-CD1 4.02Å; F133-L162 HydrophobicContact CE2-CD1 3.88Å; F133-R164 PolarHBondContact O-NH1 3.12Å; F133-R164 VanDerWaalsContact O-NH1 3.17Å
134R94.8Very high94.4Very high199 Ų19946.2 Ų46.275%0.75122%0.215SC*.Hα-helixtrans-70.1-49.6179.5178.3-178.4164.889.41.8112A130 E131 I132A130-R134 WeakPolarHBondContact O-CB 3.46Å; A130-R134 PolarHBondContact O-N 3.03Å; E131-R134 PolarHBondContact O-N 3.5Å; I132-R134 VanDerWaalsContact C-N 3.35Å; I132-R134 PolarHBondContact O-N 2.63Å
135M93.2Very high93.4Very high37 Ų3747.7 Ų47.718%0.18223%0.225CC..Hα-helixtrans-83.1-26.9-169.8-61.4-176-47.800113.7L77 M79 V102 E131L77-M135 HydrophobicContact CD1-CG 4.23Å; L77-M135 HydrophobicContact CD1-SD 3.22Å; L77-M135 WeakPolarHBondContact CD1-SD 3.4Å; L77-M135 HydrophobicContact CD2-CE 3.55Å; L77-M135 HydrophobicContact CD2-SD 3.28Å; L77-M135 WeakPolarHBondContact CD2-SD 3.48Å; L77-M135 HydrophobicContact CG-SD 3.85Å; M79-M135 HydrophobicContact CE-CE 3.07Å; M79-M135 HydrophobicContact CG-CE 4.37Å; M79-M135 HydrophobicContact SD-CE 4.47Å; V102-M135 HydrophobicContact CB-SD 4.46Å; V102-M135 HydrophobicContact CG2-SD 3.72Å; E131-M135 HydrophobicContact CB-CE 4Å; E131-M135 VanDerWaalsContact O-CB 3.29Å; E131-M135 WeakPolarHBondContact O-CB 3.43Å; E131-M135 WeakPolarHBondContact O-CG 3.2Å; E131-M135 PolarHBondContact O-N 3.39Å
136R94.7Very high92.9Very high151 Ų15146.8 Ų46.857%0.5723%0.227SC*.  trans49.354.4-178.6-54.5-175.1-178.3174.30.2113I132 F133I132-R136 PolarHBondContact O-N 3.46Å; F133-R136 WeakPolarHBondContact O-CG 3.27Å
137P95.4Very high92.5Very high10 Ų1041.8 Ų41.87%0.06520%0.201CC..  trans-62.6145.3176.529.7-34.4000110.4C49 I132 I140 C166C49-P137 HydrophobicContact CB-CB 3.73Å; C49-P137 HydrophobicContact CB-CG 4.27Å; I132-P137 HydrophobicContact CD1-CG 3.63Å; P137-I140 HydrophobicContact CB-CG1 4.35Å; P137-I140 HydrophobicContact CG-CD1 4.29Å; P137-I140 HydrophobicContact CG-CG1 4.2Å; P137-C166 WeakPolarHBondContact O-CB 3.45Å; P137-C166 PolarHBondContact O-SG 3.42Å
138E95.4Very high92.4Very high51 Ų5138.7 Ų38.724%0.23819%0.186CC..SBendtrans-100-18.9173.7-63.4-176.389.200111.5R42 V46 T47 C166 H167R42-E138 IonicContact CZ-OE1 3.56Å; R42-E138 IonicContact CZ-OE2 3.6Å; R42-E138 IonicContact NH1-OE1 3.88Å; R42-E138 PolarHBondContact NH1-OE1 3.26Å; R42-E138 IonicContact NH2-OE1 3.52Å; R42-E138 PolarHBondContact NH2-OE1 3.14Å; R42-E138 IonicContact NH2-OE2 3Å; R42-E138 PolarHBondContact NH2-OE2 3.45Å; V46-E138 HydrophobicContact CG1-CB 3.75Å; T47-E138 PolarHBondContact N-OE2 3.02Å; T47-E138 PolarHBondContact O-N 3.26Å; E138-C166 WeakPolarHBondContact O-CA 3.14Å; E138-H167 PolarHBondContact O-N 2.88Å
139L96.5Very high92.3Very high13 Ų1339.5 Ų39.57%0.06819%0.19CC..EExtended strand (participates in β ladder)trans-137.6131.1175.2176.164.3000109.9V46 T47 T48 C49 Y73 L141 H167 I169V46-L139 HydrophobicContact CG1-CB 3.74Å; T47-L139 PolarHBondContact O-N 2.9Å; T47-L139 VanDerWaalsContact O-N 3.14Å; T48-L139 CarbonylContact C-O 3.46Å; T48-L139 WeakPolarHBondContact CA-O 3.26Å; T48-L139 HydrophobicContact CG2-CB 4.43Å; T48-L139 HydrophobicContact CG2-CD2 3.98Å; T48-L139 HydrophobicContact CG2-CG 4.22Å; C49-L139 PolarHBondContact N-O 3.46Å; Y73-L139 HydrophobicContact CD1-CD2 3.75Å; Y73-L139 HydrophobicContact CE1-CD2 3.81Å; L139-L141 HydrophobicContact CD1-CD2 3.92Å; L139-L141 HydrophobicContact CD2-CD1 4.35Å; L139-L141 HydrophobicContact CD2-CD2 3.96Å; L139-L141 HydrophobicContact CD2-CG 4.09Å; L139-L141 HydrophobicContact CG-CD2 3.97Å; L139-L141 HydrophobicContact CG-CG 4.1Å; L139-H167 CarbonylContact C-O 3.56Å; L139-H167 WeakPolarHBondContact CA-O 3.35Å; L139-H167 HydrophobicContact CD1-CB 4.1Å; L139-I169 HydrophobicContact CD1-CB 4.49Å; L139-I169 HydrophobicContact CD1-CD1 3.72Å; L139-I169 HydrophobicContact CD1-CG1 3.9Å
140I97.5Very high92.2Very high0 Ų037 Ų370%018%0.18CC..EExtended strand (participates in β ladder)trans-112.9121.3168.3-67.3169.6000108.7C49 V51 I132 P137 I151 A155 C166 H167 I168 I169C49-I140 HydrophobicContact CB-CG1 4.09Å; C49-I140 CarbonylContact O-C 3.53Å; C49-I140 VanDerWaalsContact O-CA 3.3Å; C49-I140 WeakPolarHBondContact O-CA 3.49Å; V51-I140 HydrophobicContact CG2-CG2 4.1Å; I132-I140 HydrophobicContact CD1-CD1 3.83Å; P137-I140 HydrophobicContact CB-CG1 4.35Å; P137-I140 HydrophobicContact CG-CD1 4.29Å; P137-I140 HydrophobicContact CG-CG1 4.2Å; I140-I151 HydrophobicContact CD1-CG2 4.31Å; I140-A155 HydrophobicContact CD1-CB 3.26Å; I140-C166 VanDerWaalsContact CD1-SG 3.56Å; I140-H167 PolarHBondContact N-O 2.82Å; I140-I168 HydrophobicContact CB-CG1 4.45Å; I140-I168 HydrophobicContact CD1-CG1 4.47Å; I140-I169 PolarHBondContact O-N 3.05Å
141L97.2Very high92.2Very high8 Ų834.3 Ų34.34%0.04216%0.157CC..EExtended strand (participates in β ladder)trans-105.6124171.3-59.9-178.7000108.6T48 C49 V50 V51 M61 L64 V65 L68 L139 I169T48-L141 HydrophobicContact CG2-CD1 4.05Å; T48-L141 HydrophobicContact CG2-CG 4.22Å; C49-L141 PolarHBondContact O-N 2.9Å; V50-L141 WeakPolarHBondContact CA-O 3.45Å; V51-L141 PolarHBondContact N-O 2.91Å; M61-L141 HydrophobicContact CE-CB 3.78Å; L64-L141 HydrophobicContact CD2-CD1 4.25Å; V65-L141 HydrophobicContact CG1-CD1 3.75Å; L68-L141 HydrophobicContact CD1-CD1 3.51Å; L139-L141 HydrophobicContact CD1-CD2 3.92Å; L139-L141 HydrophobicContact CD2-CD1 4.35Å; L139-L141 HydrophobicContact CD2-CD2 3.96Å; L139-L141 HydrophobicContact CD2-CG 4.09Å; L139-L141 HydrophobicContact CG-CD2 3.97Å; L139-L141 HydrophobicContact CG-CG 4.1Å; L141-I169 HydrophobicContact CD2-CB 3.73Å; L141-I169 HydrophobicContact CD2-CD1 4.15Å; L141-I169 HydrophobicContact CD2-CG1 4.37Å; L141-I169 HydrophobicContact CD2-CG2 4.05Å
142C96.6Very high92.3Very high0 Ų032 Ų320%015%0.147CC..EExtended strand (participates in β ladder)trans-145.1153.5179.759.90000112.2V51 C148 C152 I169 Y170 V171V51-C142 HydrophobicContact CB-CB 3.72Å; V51-C142 HydrophobicContact CG2-CB 3.86Å; C142-C148 HydrophobicContact CB-CB 4Å; C142-C152 VanDerWaalsContact SG-SG 3.67Å; C142-I169 PolarHBondContact N-O 2.83Å; C142-Y170 CarbonylContact O-C 3.54Å; C142-Y170 WeakPolarHBondContact O-CA 3.16Å; C142-V171 PolarHBondContact O-N 3.14Å
143N93.3Very high92.3Very high2 Ų234.6 Ų34.61%0.01116%0.16CC..  trans-123.2178.4159.864.2-9.1000109.1H57 E60 M61 V171H57-N143 VanDerWaalsContact CA-ND2 3.3Å; H57-N143 WeakPolarHBondContact CA-ND2 3.48Å; H57-N143 WeakPolarHBondContact CB-ND2 3.21Å; H57-N143 PolarHBondContact ND1-ND2 3.29Å; H57-N143 PolarHBondContact O-ND2 3.09Å; E60-N143 PolarHBondContact OE2-ND2 2.89Å; M61-N143 HydrophobicContact CG-CB 4.19Å; M61-N143 WeakPolarHBondContact CG-ND2 3.16Å; M61-N143 WeakPolarHBondContact CG-OD1 3.46Å; M61-N143 HydrophobicContact SD-CB 3.74Å; M61-N143 VanDerWaalsContact SD-CG 3.54Å; N143-V171 WeakPolarHBondContact CA-O 3.33Å; N143-V171 WeakPolarHBondContact CB-O 3.46Å
144G72.4Confident92.3Very high2 Ų229.7 Ų29.72%0.02114%0.138CC..SBendtrans-55.2146.9169.400000109.2H57 Y170H57-G144 VanDerWaalsContact CB-O 3.23Å; H57-G144 WeakPolarHBondContact CB-O 3.2Å; H57-G144 PolarHBondContact CD2-O 3.46Å; H57-G144 PolarHBondContact CE1-O 3.18Å; H57-G144 PolarHBondContact ND1-O 3.34Å; H57-G144 PolarHBondContact NE2-O 3.03Å; G144-Y170 WeakPolarHBondContact CA-OH 3.49Å; G144-Y170 PolarHBondContact N-OH 2.87Å
145P73.2Confident92.4Very high31 Ų3120.2 Ų20.220%0.20110%0.103CC..SBendcis-100.6-178.336.938-39.2000115T147 C148P145-T147 PolarHBondContact O-N 2.78Å; P145-C148 PolarHBondContact O-N 2.72Å; P145-C148 PolarHBondContact O-SG 2.97Å
146G83.5Confident92.6Very high26 Ų2620 Ų2027%0.26810%0.101SC..THydrogen-bonded Turntrans-52.6-18.9-174.500000116.7C148 I149 P150G146-C148 PolarHBondContact O-N 3.49Å; G146-I149 WeakPolarHBondContact O-CB 3.39Å; G146-I149 PolarHBondContact O-N 2.85Å; G146-I149 VanDerWaalsContact O-N 3.08Å; G146-P150 WeakPolarHBondContact O-CD 3.45Å
147T87.2Confident92.6Very high7 Ų715.2 Ų15.24%0.0439%0.088CC..THydrogen-bonded Turntrans-59.3-25.8173.7-48.10000113.2I104 P145 I149 P150 I151I104-T147 HydrophobicContact CD1-CG2 3.39Å; I104-T147 HydrophobicContact CG1-CG2 3.87Å; P145-T147 PolarHBondContact O-N 2.78Å; T147-I149 PolarHBondContact O-N 2.94Å; T147-P150 WeakPolarHBondContact O-CD 3.41Å; T147-I151 WeakPolarHBondContact O-CD1 3.46Å
148C93.6Very high92.6Very high0 Ų015.7 Ų15.70%09%0.089CC..Hα-helixtrans-66.6-24.3175.672.90000112.8V51 C142 P145 G146 I151 C152V51-C148 HydrophobicContact CG1-CB 4.17Å; C142-C148 HydrophobicContact CB-CB 4Å; P145-C148 PolarHBondContact O-N 2.72Å; P145-C148 PolarHBondContact O-SG 2.97Å; G146-C148 PolarHBondContact O-N 3.49Å; C148-I151 PolarHBondContact O-N 2.76Å; C148-C152 WeakPolarHBondContact O-CB 3.49Å; C148-C152 PolarHBondContact O-N 3.42Å; C148-C152 PolarHBondContact O-SG 3.38Å
149I94.4Very high92.6Very high17 Ų1713.3 Ų13.39%0.0878%0.078CC..Hα-helixtrans-67.7-49.9-171.4-61.1-64.7000111.8G146 T147 I151 C152 M153 I186 L187G146-I149 WeakPolarHBondContact O-CB 3.39Å; G146-I149 PolarHBondContact O-N 2.85Å; G146-I149 VanDerWaalsContact O-N 3.08Å; T147-I149 PolarHBondContact O-N 2.94Å; I149-I151 VanDerWaalsContact C-N 3.28Å; I149-I151 PolarHBondContact O-N 3.06Å; I149-C152 PolarHBondContact O-N 3.1Å; I149-M153 HydrophobicContact CG2-CE 3.82Å; I149-M153 HydrophobicContact CG2-CG 4.36Å; I149-M153 HydrophobicContact CG2-SD 4.06Å; I149-M153 WeakPolarHBondContact O-CB 3.45Å; I149-M153 VanDerWaalsContact O-CG 3.27Å; I149-M153 WeakPolarHBondContact O-CG 3.41Å; I149-M153 PolarHBondContact O-N 2.69Å; I149-I186 HydrophobicContact CD1-CB 4.16Å; I149-I186 HydrophobicContact CD1-CG2 4.13Å; I149-I186 HydrophobicContact CG2-CG2 4.26Å; I149-L187 HydrophobicContact CD1-CD1 4.09Å; I149-L187 HydrophobicContact CD1-CD2 4.01Å; I149-L187 HydrophobicContact CD1-CG 3.71Å
150P94.3Very high92.5Very high6 Ų613.3 Ų13.34%0.0398%0.078CC..Hα-helixtrans-59.9-36173.9-23.432.9000114.3C107 L125 G146 T147 M153 A154C107-P150 WeakPolarHBondContact SG-CG 3.46Å; L125-P150 HydrophobicContact CB-CB 3.98Å; L125-P150 HydrophobicContact CD1-CB 4.08Å; L125-P150 WeakPolarHBondContact CD1-O 3.45Å; G146-P150 WeakPolarHBondContact O-CD 3.45Å; T147-P150 WeakPolarHBondContact O-CD 3.41Å; P150-M153 HydrophobicContact CB-CE 4.46Å; P150-M153 PolarHBondContact O-N 3.42Å; P150-A154 VanDerWaalsContact O-CB 3.29Å; P150-A154 WeakPolarHBondContact O-CB 3.39Å; P150-A154 PolarHBondContact O-N 3.38Å
151I95.6Very high92.4Very high0 Ų018 Ų180%010%0.103CC..Hα-helixtrans-63.2-51.4177.2-57.2164.1000110.5V51 M79 I104 S128 I132 I140 T147 C148 I149 M153 A154 A155V51-I151 HydrophobicContact CB-CD1 4.2Å; V51-I151 HydrophobicContact CG1-CD1 3.49Å; V51-I151 VanDerWaalsContact CG1-CD1 3.49Å; V51-I151 HydrophobicContact CG2-CD1 3.6Å; V51-I151 HydrophobicContact CG2-CG2 4.08Å; M79-I151 HydrophobicContact CB-CD1 4.34Å; M79-I151 HydrophobicContact CE-CG2 4.18Å; M79-I151 HydrophobicContact SD-CB 4.36Å; M79-I151 HydrophobicContact SD-CD1 3.71Å; M79-I151 HydrophobicContact SD-CG1 3.83Å; M79-I151 HydrophobicContact SD-CG2 3.57Å; M79-I151 VanDerWaalsContact SD-CG2 3.57Å; I104-I151 HydrophobicContact CD1-CD1 3.16Å; I104-I151 HydrophobicContact CD1-CG1 3.58Å; S128-I151 WeakPolarHBondContact OG-CG1 3.47Å; S128-I151 PolarHBondContact OG-N 3.13Å; I132-I151 HydrophobicContact CD1-CG2 4.21Å; I140-I151 HydrophobicContact CD1-CG2 4.31Å; T147-I151 WeakPolarHBondContact O-CD1 3.46Å; C148-I151 PolarHBondContact O-N 2.76Å; I149-I151 VanDerWaalsContact C-N 3.28Å; I149-I151 PolarHBondContact O-N 3.06Å; I151-M153 VanDerWaalsContact C-N 3.33Å; I151-M153 PolarHBondContact O-N 3.03Å; I151-A154 PolarHBondContact O-N 3.34Å; I151-A155 WeakPolarHBondContact O-CB 3.06Å; I151-A155 PolarHBondContact O-N 3.01Å
152C97Very high92.3Very high0 Ų021.2 Ų21.20%012%0.12CC..Hα-helixtrans-63.3-39.4178.5-65.20000111.8C142 C148 I149 A155 F156 I168 L187 I192C142-C152 VanDerWaalsContact SG-SG 3.67Å; C148-C152 WeakPolarHBondContact O-CB 3.49Å; C148-C152 PolarHBondContact O-N 3.42Å; C148-C152 PolarHBondContact O-SG 3.38Å; I149-C152 PolarHBondContact O-N 3.1Å; C152-A155 PolarHBondContact O-N 2.99Å; C152-F156 WeakPolarHBondContact O-CB 3.08Å; C152-F156 PolarHBondContact O-N 2.84Å; C152-I168 HydrophobicContact CB-CD1 4.18Å; C152-I168 HydrophobicContact CB-CG2 4.21Å; C152-I168 WeakPolarHBondContact O-CD1 3.44Å; C152-L187 HydrophobicContact CB-CD2 3.79Å; C152-I192 HydrophobicContact CB-CG2 3.96Å
153M96Very high92Very high63 Ų6326.2 Ų26.231%0.3114%0.142SC..Hα-helixtrans-63.7-45.3175.4-72.8-173.1-53.800111.6L125 I149 P150 I151 F156 V157 I192L125-M153 HydrophobicContact CD1-CB 4.09Å; L125-M153 HydrophobicContact CD1-CE 4.12Å; I149-M153 HydrophobicContact CG2-CE 3.82Å; I149-M153 HydrophobicContact CG2-CG 4.36Å; I149-M153 HydrophobicContact CG2-SD 4.06Å; I149-M153 WeakPolarHBondContact O-CB 3.45Å; I149-M153 VanDerWaalsContact O-CG 3.27Å; I149-M153 WeakPolarHBondContact O-CG 3.41Å; I149-M153 PolarHBondContact O-N 2.69Å; P150-M153 HydrophobicContact CB-CE 4.46Å; P150-M153 PolarHBondContact O-N 3.42Å; I151-M153 VanDerWaalsContact C-N 3.33Å; I151-M153 PolarHBondContact O-N 3.03Å; M153-F156 PolarHBondContact O-N 3.07Å; M153-V157 WeakPolarHBondContact O-CG2 3.33Å; M153-V157 PolarHBondContact O-N 2.86Å; M153-I192 HydrophobicContact CG-CD1 3.9Å
154A96.8Very high91.9Very high0 Ų029.5 Ų29.50%015%0.154CC..Hα-helixtrans-61-45.8177.500000111.5L125 F129 I132 P150 I151 V157 M158L125-A154 HydrophobicContact CD1-CB 4.44Å; F129-A154 HydrophobicContact CB-CB 4.5Å; F129-A154 HydrophobicContact CD1-CB 3.91Å; F129-A154 HydrophobicContact CD2-CB 4.13Å; F129-A154 HydrophobicContact CE1-CB 4.11Å; F129-A154 HydrophobicContact CE2-CB 4.31Å; F129-A154 HydrophobicContact CG-CB 3.91Å; F129-A154 HydrophobicContact CZ-CB 4.3Å; I132-A154 HydrophobicContact CG1-CB 4.29Å; P150-A154 VanDerWaalsContact O-CB 3.29Å; P150-A154 WeakPolarHBondContact O-CB 3.39Å; P150-A154 PolarHBondContact O-N 3.38Å; I151-A154 PolarHBondContact O-N 3.34Å; A154-V157 PolarHBondContact O-N 3.22Å; A154-M158 WeakPolarHBondContact O-CB 3.43Å; A154-M158 WeakPolarHBondContact O-CG 3.23Å; A154-M158 PolarHBondContact O-N 3.29Å
155A97.2Very high92.9Very high1 Ų131.9 Ų31.91%0.00817%0.168CC..Hα-helixtrans-60.5-45.917600000113I132 I140 I151 C152 M158 D159 I168I132-A155 HydrophobicContact CD1-CB 4.35Å; I132-A155 HydrophobicContact CG1-CB 4.48Å; I132-A155 HydrophobicContact CG2-CB 4.34Å; I140-A155 HydrophobicContact CD1-CB 3.26Å; I151-A155 WeakPolarHBondContact O-CB 3.06Å; I151-A155 PolarHBondContact O-N 3.01Å; C152-A155 PolarHBondContact O-N 2.99Å; A155-M158 PolarHBondContact O-N 2.94Å; A155-D159 VanDerWaalsContact O-CB 3.26Å; A155-D159 WeakPolarHBondContact O-CB 3.35Å; A155-D159 PolarHBondContact O-N 3.28Å; A155-I168 HydrophobicContact CB-CD1 4.02Å; A155-I168 HydrophobicContact CB-CG1 4.48Å
156F97Very high93.9Very high32 Ų3230.7 Ų30.714%0.1416%0.161CC..Hα-helixtrans-62.9-44.5177.6176.3-99.7000112.9L28 H31 C152 M153 M158 D159 L160 I168 I192L28-F156 HydrophobicContact CD2-CZ 3.72Å; H31-F156 AromaticContact CD2-CE2 3.95Å; H31-F156 AromaticContact CE1-CE2 3.92Å; H31-F156 AromaticContact NE2-CD2 3.62Å; H31-F156 AromaticContact NE2-CE2 3.58Å; C152-F156 WeakPolarHBondContact O-CB 3.08Å; C152-F156 PolarHBondContact O-N 2.84Å; M153-F156 PolarHBondContact O-N 3.07Å; F156-M158 VanDerWaalsContact C-N 3.33Å; F156-M158 PolarHBondContact O-N 2.98Å; F156-D159 PolarHBondContact O-N 2.9Å; F156-L160 HydrophobicContact CE1-CD2 4.43Å; F156-L160 VanDerWaalsContact O-CB 3.3Å; F156-L160 WeakPolarHBondContact O-CB 3.2Å; F156-L160 PolarHBondContact O-N 3.43Å; F156-I168 HydrophobicContact CB-CD1 4.33Å; F156-I192 HydrophobicContact CB-CG1 4.38Å; F156-I192 HydrophobicContact CB-CG2 3.91Å; F156-I192 HydrophobicContact CD1-CG1 4.14Å; F156-I192 HydrophobicContact CD2-CG1 4.36Å; F156-I192 HydrophobicContact CG-CG1 4.03Å; F156-I192 HydrophobicContact CG-CG2 4.33Å
157V95.6Very high94.5Very high50 Ų5032.5 Ų32.530%0.30316%0.162SC..Hα-helixtrans-65.3-40.7178171.30000110.9F129 M153 A154 L160 L161F129-V157 HydrophobicContact CE1-CB 3.74Å; F129-V157 HydrophobicContact CE1-CG1 3.68Å; F129-V157 HydrophobicContact CZ-CB 3.8Å; F129-V157 HydrophobicContact CZ-CG1 3.82Å; F129-V157 HydrophobicContact CZ-CG2 4.17Å; M153-V157 WeakPolarHBondContact O-CG2 3.33Å; M153-V157 PolarHBondContact O-N 2.86Å; A154-V157 PolarHBondContact O-N 3.22Å; V157-L160 PolarHBondContact O-N 2.94Å; V157-L161 HydrophobicContact CG1-CD1 3.65Å; V157-L161 HydrophobicContact CG1-CG 4.21Å; V157-L161 WeakPolarHBondContact O-CB 3.35Å; V157-L161 WeakPolarHBondContact O-CG 3.39Å; V157-L161 PolarHBondContact O-N 3.39Å
158M95.1Very high95Very high20 Ų2032.2 Ų32.210%0.09916%0.16CC..Hα-helixtrans-64.3-40.2175.7-77.7-71.6-64.300112.6F129 I132 F133 A154 A155 F156 L162F129-M158 HydrophobicContact CD1-CG 3.99Å; F129-M158 HydrophobicContact CD1-SD 4.45Å; F129-M158 HydrophobicContact CE1-CG 4.19Å; I132-M158 HydrophobicContact CG2-CB 4.17Å; I132-M158 HydrophobicContact CG2-CG 4.08Å; F133-M158 HydrophobicContact CB-CE 3.78Å; F133-M158 HydrophobicContact CB-SD 4.49Å; F133-M158 HydrophobicContact CD2-CE 3.45Å; F133-M158 VanDerWaalsContact CD2-CE 3.45Å; F133-M158 HydrophobicContact CD2-SD 4.06Å; F133-M158 HydrophobicContact CE2-CE 4.39Å; F133-M158 HydrophobicContact CG-CE 4.01Å; A154-M158 WeakPolarHBondContact O-CB 3.43Å; A154-M158 WeakPolarHBondContact O-CG 3.23Å; A154-M158 PolarHBondContact O-N 3.29Å; A155-M158 PolarHBondContact O-N 2.94Å; F156-M158 VanDerWaalsContact C-N 3.33Å; F156-M158 PolarHBondContact O-N 2.98Å; M158-L162 HydrophobicContact CE-CD1 3.27Å; M158-L162 HydrophobicContact CE-CG 4.25Å; M158-L162 WeakPolarHBondContact O-CA 3.46Å; M158-L162 VanDerWaalsContact O-CB 3.27Å; M158-L162 WeakPolarHBondContact O-CB 3.15Å; M158-L162 PolarHBondContact O-N 3.12Å; M158-L162 HydrophobicContact SD-CD1 3.63Å; M158-L162 HydrophobicContact SD-CG 4.2Å
159D95.4Very high95.1Very high1 Ų134.1 Ų34.11%0.00517%0.17CC..Hα-helixtrans-62.3-47173.4-172.2-36.3000110.6H31 R34 H35 A155 F156 F163 R164 T165 C166H31-D159 IonicContact CD2-OD1 2.72Å; H31-D159 PolarHBondContact CD2-OD1 2.92Å; H31-D159 IonicContact NE2-OD1 3.15Å; H31-D159 IonicContact NE2-OD2 3.11Å; R34-D159 IonicContact CZ-OD1 3.61Å; R34-D159 IonicContact NH1-OD1 3.89Å; R34-D159 PolarHBondContact NH1-OD1 3.34Å; R34-D159 IonicContact NH1-OD2 3.75Å; R34-D159 PolarHBondContact NH2-O 3.21Å; R34-D159 IonicContact NH2-OD1 2.7Å; R34-D159 PolarHBondContact NH2-OD1 3.38Å; H35-D159 IonicContact CD2-OD2 3.45Å; H35-D159 IonicContact CE1-OD2 3.97Å; H35-D159 PolarHBondContact CE1-OD2 2.82Å; H35-D159 IonicContact NE2-OD1 2.95Å; H35-D159 IonicContact NE2-OD2 2.65Å; H35-D159 PolarHBondContact NE2-OD2 3.18Å; A155-D159 VanDerWaalsContact O-CB 3.26Å; A155-D159 WeakPolarHBondContact O-CB 3.35Å; A155-D159 PolarHBondContact O-N 3.28Å; F156-D159 PolarHBondContact O-N 2.9Å; D159-F163 WeakPolarHBondContact O-CA 3.47Å; D159-F163 PolarHBondContact O-N 2.93Å; D159-R164 VanDerWaalsContact CA-O 3.31Å; D159-R164 WeakPolarHBondContact CA-O 2.97Å; D159-R164 WeakPolarHBondContact CB-O 3.39Å; D159-T165 WeakPolarHBondContact OD2-CA 3.4Å; D159-C166 PolarHBondContact OD2-N 3.35Å
160L94.7Very high95.3Very high13 Ų1333.3 Ų33.37%0.06817%0.166CC..Hα-helixtrans-64.3-46.3-178.9-167.969.9000112.7L24 L27 L28 H31 F156 V157L24-L160 HydrophobicContact CD1-CD2 4.17Å; L27-L160 VanDerWaalsContact C-CD1 3.45Å; L27-L160 HydrophobicContact CB-CD1 3.59Å; L27-L160 HydrophobicContact CB-CD2 4.46Å; L27-L160 HydrophobicContact CB-CG 3.9Å; L27-L160 HydrophobicContact CD1-CG 4.39Å; L27-L160 WeakPolarHBondContact O-CD1 3.39Å; L28-L160 HydrophobicContact CD2-CD1 3.99Å; L28-L160 HydrophobicContact CD2-CD2 4.43Å; L28-L160 HydrophobicContact CG-CD1 4.45Å; H31-L160 HydrophobicContact CB-CD1 3.98Å; F156-L160 HydrophobicContact CE1-CD2 4.43Å; F156-L160 VanDerWaalsContact O-CB 3.3Å; F156-L160 WeakPolarHBondContact O-CB 3.2Å; F156-L160 PolarHBondContact O-N 3.43Å; V157-L160 PolarHBondContact O-N 2.94Å
161L94.2Very high95.3Very high100 Ų10033.3 Ų33.352%0.52417%0.166SC..Hα-helixtrans-90.1-33.7-171.8-63.1-179.1000113.9L27 V157L27-L161 HydrophobicContact CD1-CD2 4.19Å; V157-L161 HydrophobicContact CG1-CD1 3.65Å; V157-L161 HydrophobicContact CG1-CG 4.21Å; V157-L161 WeakPolarHBondContact O-CB 3.35Å; V157-L161 WeakPolarHBondContact O-CG 3.39Å; V157-L161 PolarHBondContact O-N 3.39Å
162L94.7Very high95.3Very high74 Ų7433.4 Ų33.439%0.38717%0.166SC..Hα-helixtrans-105.82.4-178.1-52.4-170.5000113.2F133 M158 R164F133-L162 HydrophobicContact CD2-CD1 4.02Å; F133-L162 HydrophobicContact CE2-CD1 3.88Å; M158-L162 HydrophobicContact CE-CD1 3.27Å; M158-L162 HydrophobicContact CE-CG 4.25Å; M158-L162 WeakPolarHBondContact O-CA 3.46Å; M158-L162 VanDerWaalsContact O-CB 3.27Å; M158-L162 WeakPolarHBondContact O-CB 3.15Å; M158-L162 PolarHBondContact O-N 3.12Å; M158-L162 HydrophobicContact SD-CD1 3.63Å; M158-L162 HydrophobicContact SD-CG 4.2Å; L162-R164 HydrophobicContact CB-CG 4.02Å; L162-R164 PolarHBondContact O-N 2.93Å; L162-R164 VanDerWaalsContact O-N 3.11Å
163F91.9Very high95.1Very high105 Ų10533.8 Ų33.846%0.46117%0.169SC..  trans55.727.9-179-47.9-64.9000113.6L27 Y30 D159 T165L27-F163 HydrophobicContact CD2-CE1 3.83Å; L27-F163 HydrophobicContact CD2-CZ 3.99Å; Y30-F163 AromaticContact CD1-CD1 3.6Å; Y30-F163 HydrophobicContact CD1-CD1 3.6Å; Y30-F163 AromaticContact CD1-CE1 3.73Å; Y30-F163 HydrophobicContact CD1-CE1 3.73Å; Y30-F163 HydrophobicContact CE1-CB 4.45Å; Y30-F163 AromaticContact CE1-CD1 3.39Å; Y30-F163 HydrophobicContact CE1-CD1 3.39Å; Y30-F163 AromaticContact CE1-CE1 3.86Å; Y30-F163 HydrophobicContact CE1-CE1 3.86Å; Y30-F163 HydrophobicContact CE1-CG 4.12Å; D159-F163 WeakPolarHBondContact O-CA 3.47Å; D159-F163 PolarHBondContact O-N 2.93Å; F163-T165 PolarHBondContact O-N 2.95Å
164R90.3Very high94.9Very high72 Ų7233.1 Ų33.127%0.27217%0.166SC..  trans-89.894.5176.7-65.4-176.7-173.8173.46.2108.9F133 D159 L162 C166F133-R164 PolarHBondContact O-NH1 3.12Å; F133-R164 VanDerWaalsContact O-NH1 3.17Å; D159-R164 VanDerWaalsContact CA-O 3.31Å; D159-R164 WeakPolarHBondContact CA-O 2.97Å; D159-R164 WeakPolarHBondContact CB-O 3.39Å; L162-R164 HydrophobicContact CB-CG 4.02Å; L162-R164 PolarHBondContact O-N 2.93Å; L162-R164 VanDerWaalsContact O-N 3.11Å; R164-C166 PolarHBondContact O-N 2.78Å; R164-C166 VanDerWaalsContact O-N 3.12Å
165T92.7Very high94.7Very high51 Ų5138.1 Ų38.131%0.31320%0.2SC..  trans-57.3117.2-178.8-53.70000111R34 D159 F163R34-T165 PolarHBondContact NH1-OG1 3.29Å; D159-T165 WeakPolarHBondContact OD2-CA 3.4Å; F163-T165 PolarHBondContact O-N 2.95Å
166C95.3Very high94.4Very high7 Ų742.1 Ų42.15%0.04721%0.214CC..  trans-132.6108.5176.1174.80000109H35 P137 E138 I140 D159 R164H35-C166 PolarHBondContact CE1-O 2.96Å; P137-C166 WeakPolarHBondContact O-CB 3.45Å; P137-C166 PolarHBondContact O-SG 3.42Å; E138-C166 WeakPolarHBondContact O-CA 3.14Å; I140-C166 VanDerWaalsContact CD1-SG 3.56Å; D159-C166 PolarHBondContact OD2-N 3.35Å; R164-C166 PolarHBondContact O-N 2.78Å; R164-C166 VanDerWaalsContact O-N 3.12Å
167H95.6Very high94.1Very high63 Ų6343.3 Ų43.329%0.29222%0.224SC..EExtended strand (participates in β ladder)trans-74.1130.1178.1-67.9-69000110.9H35 E138 L139 I140 D194H35-H167 AromaticContact CE1-CE1 3.91Å; H35-H167 AromaticContact CE1-ND1 3.53Å; H35-H167 AromaticContact ND1-CE1 3.19Å; H35-H167 PolarHBondContact ND1-CE1 3.44Å; H35-H167 AromaticContact ND1-CG 4Å; H35-H167 AromaticContact ND1-ND1 2.95Å; H35-H167 PolarHBondContact ND1-ND1 2.85Å; E138-H167 PolarHBondContact O-N 2.88Å; L139-H167 CarbonylContact C-O 3.56Å; L139-H167 WeakPolarHBondContact CA-O 3.35Å; L139-H167 HydrophobicContact CD1-CB 4.1Å; I140-H167 PolarHBondContact N-O 2.82Å; H167-D194 VanDerWaalsContact CA-OD2 3.27Å; H167-D194 WeakPolarHBondContact CA-OD2 3.25Å; H167-D194 IonicContact ND1-OD2 2.69Å
168I97.2Very high93.8Very high2 Ų245.6 Ų45.61%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-108.2111.4178.6-60.6171.6000108.7I140 C152 A155 F156 I192 A193 D194 R195I140-I168 HydrophobicContact CB-CG1 4.45Å; I140-I168 HydrophobicContact CD1-CG1 4.47Å; C152-I168 HydrophobicContact CB-CD1 4.18Å; C152-I168 HydrophobicContact CB-CG2 4.21Å; C152-I168 WeakPolarHBondContact O-CD1 3.44Å; A155-I168 HydrophobicContact CB-CD1 4.02Å; A155-I168 HydrophobicContact CB-CG1 4.48Å; F156-I168 HydrophobicContact CB-CD1 4.33Å; I168-I192 HydrophobicContact CD1-CG2 3.82Å; I168-A193 HydrophobicContact CG2-CB 4.09Å; I168-D194 PolarHBondContact N-OD2 3.18Å; I168-D194 PolarHBondContact O-N 2.86Å; I168-R195 PolarHBondContact O-N 2.8Å
169I96.9Very high93.7Very high39 Ų3946.9 Ų46.920%0.225%0.247CC..EExtended strand (participates in β ladder)trans-108.3118.5174.9-62.4-177.4000108.9L139 I140 L141 C142 V171 R195 F197L139-I169 HydrophobicContact CD1-CB 4.49Å; L139-I169 HydrophobicContact CD1-CD1 3.72Å; L139-I169 HydrophobicContact CD1-CG1 3.9Å; I140-I169 PolarHBondContact O-N 3.05Å; L141-I169 HydrophobicContact CD2-CB 3.73Å; L141-I169 HydrophobicContact CD2-CD1 4.15Å; L141-I169 HydrophobicContact CD2-CG1 4.37Å; L141-I169 HydrophobicContact CD2-CG2 4.05Å; C142-I169 PolarHBondContact N-O 2.83Å; I169-V171 HydrophobicContact CG2-CG2 4.21Å; I169-R195 HydrophobicContact CG1-CB 4.49Å; I169-F197 HydrophobicContact CD1-CE2 4.41Å; I169-F197 HydrophobicContact CG2-CD2 3.46Å; I169-F197 VanDerWaalsContact CG2-CD2 3.46Å; I169-F197 HydrophobicContact CG2-CE2 3.39Å
170Y97.1Very high93.7Very high0 Ų046.9 Ų46.90%025%0.247CC..EExtended strand (participates in β ladder)trans-102.9129.2173.1-172.9-82.8000110.3C142 G144 E172 S181 A184 L187 R195 L196 F197C142-Y170 CarbonylContact O-C 3.54Å; C142-Y170 WeakPolarHBondContact O-CA 3.16Å; G144-Y170 WeakPolarHBondContact CA-OH 3.49Å; G144-Y170 PolarHBondContact N-OH 2.87Å; Y170-E172 HydrophobicContact CE1-CB 4.23Å; Y170-S181 PolarHBondContact OH-OG 3.46Å; Y170-A184 HydrophobicContact CD1-CB 4.13Å; Y170-A184 HydrophobicContact CE1-CB 3.43Å; Y170-A184 VanDerWaalsContact CE1-CB 3.43Å; Y170-L187 HydrophobicContact CD2-CD1 3.26Å; Y170-L187 HydrophobicContact CE2-CD1 3.88Å; Y170-L187 HydrophobicContact CG-CD1 3.84Å; Y170-R195 PolarHBondContact N-O 3.09Å; Y170-L196 HydrophobicContact CD1-CD1 4.28Å; Y170-L196 HydrophobicContact CD1-CD2 4.22Å; Y170-L196 HydrophobicContact CD1-CG 3.87Å; Y170-L196 HydrophobicContact CG-CG 4.48Å; Y170-L196 CarbonylContact O-C 3.6Å; Y170-L196 VanDerWaalsContact O-CA 3.3Å; Y170-L196 WeakPolarHBondContact O-CA 3.3Å; Y170-F197 PolarHBondContact O-N 3.19Å
171V96.1Very high93.6Very high7 Ų747.2 Ų47.24%0.04225%0.251CS..EExtended strand (participates in β ladder)trans-111.5115.8174.8-174.50000107.7L64 C142 N143 I169 F197 I213 F216L64-V171 HydrophobicContact CD1-CB 4.25Å; L64-V171 HydrophobicContact CD1-CG1 3.95Å; L64-V171 HydrophobicContact CD1-CG2 3.72Å; C142-V171 PolarHBondContact O-N 3.14Å; N143-V171 WeakPolarHBondContact CA-O 3.33Å; N143-V171 WeakPolarHBondContact CB-O 3.46Å; I169-V171 HydrophobicContact CG2-CG2 4.21Å; V171-F197 HydrophobicContact CG1-CB 4.39Å; V171-F197 HydrophobicContact CG2-CB 4.29Å; V171-F197 HydrophobicContact CG2-CD2 4.22Å; V171-I213 HydrophobicContact CG1-CD1 4.3Å; V171-F216 HydrophobicContact CG1-CE1 4.21Å; V171-F216 HydrophobicContact CG1-CZ 4.47Å
172E95.5Very high93.5Very high2 Ų246.9 Ų46.91%0.00925%0.249CC..  trans-65.1150.3176-17460.7-83.400110.5Y170 R176 L180 S181 A184 L196 F197 V198 Q199 L203Y170-E172 HydrophobicContact CE1-CB 4.23Å; E172-R176 HydrophobicContact CG-CB 3.67Å; E172-R176 HydrophobicContact CG-CG 3.97Å; E172-L180 HydrophobicContact CB-CD2 4.46Å; E172-L180 HydrophobicContact CG-CD2 4.13Å; E172-L180 WeakPolarHBondContact OE2-CA 3.43Å; E172-L180 WeakPolarHBondContact OE2-CD2 3.16Å; E172-S181 WeakPolarHBondContact OE1-CB 3.41Å; E172-S181 PolarHBondContact OE1-OG 3.19Å; E172-S181 WeakPolarHBondContact OE2-CB 3.31Å; E172-S181 PolarHBondContact OE2-N 3.49Å; E172-S181 PolarHBondContact OE2-OG 2.85Å; E172-A184 WeakPolarHBondContact OE2-CB 3.28Å; E172-L196 HydrophobicContact CB-CD2 4.43Å; E172-F197 WeakPolarHBondContact CB-O 3.41Å; E172-F197 PolarHBondContact N-O 2.95Å; E172-V198 HydrophobicContact CB-CG1 4.24Å; E172-Q199 VanDerWaalsContact O-CD 3.27Å; E172-Q199 PolarHBondContact O-NE2 3.41Å; E172-Q199 PolarHBondContact O-OE1 3.36Å; E172-Q199 VanDerWaalsContact O-OE1 3.05Å; E172-L203 HydrophobicContact CG-CD2 4.25Å
173S92.9Very high93.4Very high7 Ų743.9 Ų43.95%0.04924%0.235CC..  trans-70.2145.7177.4171.10000111.7H57 E60 C175 R176H57-S173 VanDerWaalsContact CE1-CB 3.49Å; H57-S173 WeakPolarHBondContact CE1-CB 3.12Å; E60-S173 PolarHBondContact OE1-OG 2.97Å; E60-S173 WeakPolarHBondContact OE2-CA 3.27Å; E60-S173 VanDerWaalsContact OE2-CB 3.28Å; E60-S173 WeakPolarHBondContact OE2-CB 3.44Å; E60-S173 PolarHBondContact OE2-OG 2.8Å; E60-S173 VanDerWaalsContact OE2-OG 3.09Å; S173-C175 PolarHBondContact O-N 3Å; S173-C175 VanDerWaalsContact O-N 3.09Å; S173-C175 PolarHBondContact OG-N 3.47Å; S173-R176 WeakPolarHBondContact O-CB 3.46Å; S173-R176 PolarHBondContact O-N 3.09Å
174I91.7Very high93.6Very high49 Ų4938.9 Ų38.925%0.25121%0.213SC..THydrogen-bonded Turntrans-57.2-29.3177.6-59.1169.5000110.6E60 R176 Q199 W200E60-I174 HydrophobicContact CG-CD1 4.24Å; E60-I174 WeakPolarHBondContact OE1-CB 3.18Å; E60-I174 PolarHBondContact OE1-N 3.35Å; I174-R176 PolarHBondContact O-N 3.43Å; I174-Q199 HydrophobicContact CG1-CG 4.15Å; I174-W200 PolarHBondContact O-NE1 3.48Å
175C90.7Very high93.8Very high105 Ų10540.7 Ų40.771%0.70922%0.219SC*.THydrogen-bonded Turntrans-67.2-12.2177.8-58.60000114.3S173 V177S173-C175 PolarHBondContact O-N 3Å; S173-C175 VanDerWaalsContact O-N 3.09Å; S173-C175 PolarHBondContact OG-N 3.47Å; C175-V177 PolarHBondContact O-N 3.42Å
176R90.9Very high93.9Very high85 Ų8541.4 Ų41.432%0.32122%0.221SC..  trans-96.585.8-175.9-60.4-61.3-68.3163.7-3.4111.6E172 S173 I174 T179 L180E172-R176 HydrophobicContact CG-CB 3.67Å; E172-R176 HydrophobicContact CG-CG 3.97Å; S173-R176 WeakPolarHBondContact O-CB 3.46Å; S173-R176 PolarHBondContact O-N 3.09Å; I174-R176 PolarHBondContact O-N 3.43Å; R176-T179 PolarHBondContact NE-O 2.87Å; R176-T179 PolarHBondContact NH2-O 3.32Å; R176-T179 PolarHBondContact NH2-OG1 2.98Å; R176-L180 PolarHBondContact NH2-O 3.02Å
177V90.8Very high93.9Very high57 Ų5741.1 Ų41.135%0.34522%0.219SC..SBendtrans-79.7-46.3-176.4-171.60000113.3C175 W200C175-V177 PolarHBondContact O-N 3.42Å; V177-W200 HydrophobicContact CB-CD2 4.3Å; V177-W200 HydrophobicContact CB-CG 4.41Å; V177-W200 HydrophobicContact CG1-CD2 3.86Å; V177-W200 HydrophobicContact CG1-CE3 3.98Å; V177-W200 HydrophobicContact CG1-CG 4.18Å; V177-W200 HydrophobicContact CG1-CZ3 4.36Å; V177-W200 HydrophobicContact CG2-CD2 4.22Å; V177-W200 HydrophobicContact CG2-CH2 4.29Å; V177-W200 HydrophobicContact CG2-CZ2 3.74Å
178T89.7Confident94Very high98 Ų9839 Ų3960%0.60121%0.208SC*.SBendtrans-108.2-25.9-166.257.50000114.3
179T93.8Very high93.9Very high47 Ų4744.9 Ų44.929%0.28824%0.235SC..SBendtrans-143.6143.4-174.752.20000110.9R176R176-T179 PolarHBondContact NE-O 2.87Å; R176-T179 PolarHBondContact NH2-O 3.32Å; R176-T179 PolarHBondContact NH2-OG1 2.98Å
180L94.1Very high93.8Very high1 Ų145.4 Ų45.41%0.00524%0.242CC..  trans-64146.2172.4-73.9179.5000110.1E172 R176 A184 R185 Y188 L196 V198 L203 Y207E172-L180 HydrophobicContact CB-CD2 4.46Å; E172-L180 HydrophobicContact CG-CD2 4.13Å; E172-L180 WeakPolarHBondContact OE2-CA 3.43Å; E172-L180 WeakPolarHBondContact OE2-CD2 3.16Å; R176-L180 PolarHBondContact NH2-O 3.02Å; L180-A184 HydrophobicContact CB-CB 3.95Å; L180-A184 HydrophobicContact CD1-CB 4.42Å; L180-A184 HydrophobicContact CD2-CB 3.96Å; L180-A184 HydrophobicContact CG-CB 4.32Å; L180-R185 HydrophobicContact CB-CG 3.62Å; L180-R185 HydrophobicContact CD1-CG 4.46Å; L180-Y188 HydrophobicContact CD1-CD2 4.4Å; L180-Y188 HydrophobicContact CD1-CG 4.29Å; L180-L196 HydrophobicContact CD1-CD1 4.48Å; L180-L196 HydrophobicContact CD2-CD2 3.97Å; L180-V198 HydrophobicContact CD2-CG1 4.05Å; L180-L203 HydrophobicContact CD2-CD1 4.28Å; L180-L203 HydrophobicContact CD2-CD2 3.74Å; L180-L203 HydrophobicContact CD2-CG 4.09Å; L180-L203 HydrophobicContact CG-CD1 4.23Å; L180-L203 HydrophobicContact CG-CG 4.49Å; L180-Y207 HydrophobicContact CB-CE2 4.17Å; L180-Y207 HydrophobicContact CD1-CD1 3.57Å; L180-Y207 HydrophobicContact CD1-CD2 3.78Å; L180-Y207 HydrophobicContact CD1-CE1 3.77Å; L180-Y207 HydrophobicContact CD1-CE2 3.98Å; L180-Y207 HydrophobicContact CD1-CG 3.58Å; L180-Y207 HydrophobicContact CG-CD1 4.32Å; L180-Y207 HydrophobicContact CG-CD2 3.66Å; L180-Y207 HydrophobicContact CG-CE1 4.31Å; L180-Y207 HydrophobicContact CG-CE2 3.64Å; L180-Y207 HydrophobicContact CG-CG 4.01Å
181S93.7Very high93.6Very high20 Ų2052.8 Ų52.814%0.1427%0.27CS..  trans-58.7161.416861.90000110.4Y170 E172 S183 A184 R185Y170-S181 PolarHBondContact OH-OG 3.46Å; E172-S181 WeakPolarHBondContact OE1-CB 3.41Å; E172-S181 PolarHBondContact OE1-OG 3.19Å; E172-S181 WeakPolarHBondContact OE2-CB 3.31Å; E172-S181 PolarHBondContact OE2-N 3.49Å; E172-S181 PolarHBondContact OE2-OG 2.85Å; S181-S183 VanDerWaalsContact C-N 3.27Å; S181-S183 PolarHBondContact O-N 2.93Å; S181-A184 PolarHBondContact O-N 3.43Å; S181-A184 WeakPolarHBondContact OG-CB 3.3Å; S181-A184 PolarHBondContact OG-N 3.2Å; S181-R185 WeakPolarHBondContact O-CG 3.47Å; S181-R185 PolarHBondContact O-N 2.98Å
182L91.5Very high93.6Very high94 Ų9453.2 Ų53.249%0.49227%0.272SS..Hα-helixtrans-58-43.8176.6179.262.4000111.2R185 I186L182-R185 PolarHBondContact O-N 3.32Å; L182-I186 HydrophobicContact CD1-CD1 4.27Å; L182-I186 HydrophobicContact CD1-CG1 4.44Å; L182-I186 HydrophobicContact CG-CD1 4.04Å; L182-I186 WeakPolarHBondContact O-CG1 3.48Å; L182-I186 PolarHBondContact O-N 3.39Å
183S93.5Very high93.5Very high11 Ų1154 Ų548%0.07728%0.279CS..Hα-helixtrans-57.8-50.9176.5-58.10000112S181 R185 I186 L187S181-S183 VanDerWaalsContact C-N 3.27Å; S181-S183 PolarHBondContact O-N 2.93Å; S183-R185 VanDerWaalsContact C-N 3.33Å; S183-R185 PolarHBondContact O-N 3.33Å; S183-I186 PolarHBondContact O-N 3.47Å; S183-L187 PolarHBondContact O-N 2.82Å
184A95.4Very high93.6Very high0 Ų056 Ų560%029%0.289CS..Hα-helixtrans-60.8-40.1178.100000112.6Y170 E172 L180 S181 L187 Y188 L196Y170-A184 HydrophobicContact CD1-CB 4.13Å; Y170-A184 HydrophobicContact CE1-CB 3.43Å; Y170-A184 VanDerWaalsContact CE1-CB 3.43Å; E172-A184 WeakPolarHBondContact OE2-CB 3.28Å; L180-A184 HydrophobicContact CB-CB 3.95Å; L180-A184 HydrophobicContact CD1-CB 4.42Å; L180-A184 HydrophobicContact CD2-CB 3.96Å; L180-A184 HydrophobicContact CG-CB 4.32Å; S181-A184 PolarHBondContact O-N 3.43Å; S181-A184 WeakPolarHBondContact OG-CB 3.3Å; S181-A184 PolarHBondContact OG-N 3.2Å; A184-L187 PolarHBondContact O-N 2.85Å; A184-Y188 WeakPolarHBondContact O-CB 3.46Å; A184-Y188 PolarHBondContact O-N 3.09Å; A184-L196 HydrophobicContact CB-CD1 4.14Å; A184-L196 WeakPolarHBondContact O-CD1 3.49Å
185R95Very high93.8Very high109 Ų10960.5 Ų60.541%0.41130%0.303SS..Hα-helixtrans-62-44.4175.1-74.2-171.5-64.4157.30.4111.7L180 S181 L182 S183 L187 Y188 H189L180-R185 HydrophobicContact CB-CG 3.62Å; L180-R185 HydrophobicContact CD1-CG 4.46Å; S181-R185 WeakPolarHBondContact O-CG 3.47Å; S181-R185 PolarHBondContact O-N 2.98Å; L182-R185 PolarHBondContact O-N 3.32Å; S183-R185 VanDerWaalsContact C-N 3.33Å; S183-R185 PolarHBondContact O-N 3.33Å; R185-L187 PolarHBondContact O-N 2.73Å; R185-Y188 PolarHBondContact O-N 2.91Å; R185-H189 WeakPolarHBondContact O-CB 3.42Å; R185-H189 PolarHBondContact O-CD2 2.82Å; R185-H189 PolarHBondContact O-N 3.03Å
186I94.5Very high94.1Very high67 Ų6755.9 Ų55.934%0.34427%0.271SS..Hα-helixtrans-58.1-51177.5-68.9164.8000109.5I149 L182 S183 Y188 H189 S190I149-I186 HydrophobicContact CD1-CB 4.16Å; I149-I186 HydrophobicContact CD1-CG2 4.13Å; I149-I186 HydrophobicContact CG2-CG2 4.26Å; L182-I186 HydrophobicContact CD1-CD1 4.27Å; L182-I186 HydrophobicContact CD1-CG1 4.44Å; L182-I186 HydrophobicContact CG-CD1 4.04Å; L182-I186 WeakPolarHBondContact O-CG1 3.48Å; L182-I186 PolarHBondContact O-N 3.39Å; S183-I186 PolarHBondContact O-N 3.47Å; I186-Y188 PolarHBondContact O-N 2.9Å; I186-H189 PolarHBondContact O-N 3.05Å; I186-S190 WeakPolarHBondContact O-CB 3.48Å; I186-S190 PolarHBondContact O-N 2.73Å; I186-S190 PolarHBondContact O-OG 2.83Å
187L96.3Very high94.3Very high1 Ų154 Ų541%0.00527%0.265CS..Hα-helixtrans-65.3-38.1180-65.4175.3000112.7I149 C152 Y170 S183 A184 R185 S190 R191 I192 A193I149-L187 HydrophobicContact CD1-CD1 4.09Å; I149-L187 HydrophobicContact CD1-CD2 4.01Å; I149-L187 HydrophobicContact CD1-CG 3.71Å; C152-L187 HydrophobicContact CB-CD2 3.79Å; Y170-L187 HydrophobicContact CD2-CD1 3.26Å; Y170-L187 HydrophobicContact CE2-CD1 3.88Å; Y170-L187 HydrophobicContact CG-CD1 3.84Å; S183-L187 PolarHBondContact O-N 2.82Å; A184-L187 PolarHBondContact O-N 2.85Å; R185-L187 PolarHBondContact O-N 2.73Å; L187-S190 WeakPolarHBondContact CA-OG 3.31Å; L187-S190 PolarHBondContact O-OG 3.48Å; L187-R191 PolarHBondContact O-N 3.02Å; L187-R191 VanDerWaalsContact O-N 3.14Å; L187-I192 HydrophobicContact CD2-CB 3.98Å; L187-I192 HydrophobicContact CD2-CG2 3.76Å; L187-A193 HydrophobicContact CB-CB 4.01Å
188Y95.9Very high94.6Very high18 Ų1851.2 Ų51.27%0.07125%0.249CC..Hα-helixtrans-63.7-44.6177-177.2-93.9000112.7L180 A184 R185 I186 L196 Y207 R209 T210L180-Y188 HydrophobicContact CD1-CD2 4.4Å; L180-Y188 HydrophobicContact CD1-CG 4.29Å; A184-Y188 WeakPolarHBondContact O-CB 3.46Å; A184-Y188 PolarHBondContact O-N 3.09Å; R185-Y188 PolarHBondContact O-N 2.91Å; I186-Y188 PolarHBondContact O-N 2.9Å; Y188-L196 HydrophobicContact CD2-CD1 4.34Å; Y188-Y207 HydrophobicContact CD1-CD1 4.12Å; Y188-Y207 AromaticContact CE1-CD1 3.82Å; Y188-Y207 HydrophobicContact CE1-CD1 3.82Å; Y188-Y207 HydrophobicContact CE2-CD1 4.35Å; Y188-Y207 AromaticContact CZ-CD1 3.97Å; Y188-R209 HydrophobicContact CE2-CB 3.62Å; Y188-R209 HydrophobicContact CE2-CG 4.44Å; Y188-R209 VanDerWaalsContact O-CZ 3.3Å; Y188-R209 PolarHBondContact O-NH1 3Å; Y188-R209 PolarHBondContact O-NH2 2.91Å; Y188-R209 PolarHBondContact OH-NE 3.46Å; Y188-T210 HydrophobicContact CD2-CG2 3.99Å; Y188-T210 HydrophobicContact CE2-CG2 3.89Å
189H95.6Very high94.8Very high125 Ų12546.7 Ų46.758%0.57922%0.221SC*.Hα-helixtrans-81.3-35.3-177.8-71-67.3000112.5R185 I186 R191R185-H189 WeakPolarHBondContact O-CB 3.42Å; R185-H189 PolarHBondContact O-CD2 2.82Å; R185-H189 PolarHBondContact O-N 3.03Å; I186-H189 PolarHBondContact O-N 3.05Å; H189-R191 VanDerWaalsContact C-N 3.29Å; H189-R191 PolarHBondContact O-N 3.49Å
190S94.6Very high94.9Very high50 Ų5046.7 Ų46.735%0.3522%0.215SC..Hα-helixtrans-74.9-13.9177.260.40000114.3I186 L187 I192I186-S190 WeakPolarHBondContact O-CB 3.48Å; I186-S190 PolarHBondContact O-N 2.73Å; I186-S190 PolarHBondContact O-OG 2.83Å; L187-S190 WeakPolarHBondContact CA-OG 3.31Å; L187-S190 PolarHBondContact O-OG 3.48Å; S190-I192 PolarHBondContact O-N 3.2Å; S190-I192 WeakPolarHBondContact OG-CD1 3.22Å; S190-I192 WeakPolarHBondContact OG-CG1 3.36Å
191R93.9Very high94.8Very high155 Ų15549 Ų4959%0.58523%0.231SC*.THydrogen-bonded Turntrans62.619.7-176.7-57.8-81.7-172.9153.82.4114L187 H189 R209L187-R191 PolarHBondContact O-N 3.02Å; L187-R191 VanDerWaalsContact O-N 3.14Å; H189-R191 VanDerWaalsContact C-N 3.29Å; H189-R191 PolarHBondContact O-N 3.49Å; R191-R209 VanDerWaalsContact CZ-CD 3.44Å; R191-R209 VanDerWaalsContact CZ-CZ 3.49Å; R191-R209 VanDerWaalsContact NH1-CD 3.32Å
192I94.8Very high94.9Very high17 Ų1752.4 Ų52.49%0.08724%0.244CC..  trans-72.6-38.9178.8-72.7173.6000111.8C152 M153 F156 I168 L187 S190C152-I192 HydrophobicContact CB-CG2 3.96Å; M153-I192 HydrophobicContact CG-CD1 3.9Å; F156-I192 HydrophobicContact CB-CG1 4.38Å; F156-I192 HydrophobicContact CB-CG2 3.91Å; F156-I192 HydrophobicContact CD1-CG1 4.14Å; F156-I192 HydrophobicContact CD2-CG1 4.36Å; F156-I192 HydrophobicContact CG-CG1 4.03Å; F156-I192 HydrophobicContact CG-CG2 4.33Å; I168-I192 HydrophobicContact CD1-CG2 3.82Å; L187-I192 HydrophobicContact CD2-CB 3.98Å; L187-I192 HydrophobicContact CD2-CG2 3.76Å; S190-I192 PolarHBondContact O-N 3.2Å; S190-I192 WeakPolarHBondContact OG-CD1 3.22Å; S190-I192 WeakPolarHBondContact OG-CG1 3.36Å
193A95.1Very high94.9Very high17 Ų1748 Ų4814%0.1422%0.221CC..  trans-82.4127176.500000110.3I168 L187 R195I168-A193 HydrophobicContact CG2-CB 4.09Å; L187-A193 HydrophobicContact CB-CB 4.01Å; A193-R195 VanDerWaalsContact C-N 3.32Å
194D94.5Very high95Very high49 Ų4950.6 Ų50.626%0.26223%0.232SC..SBendtrans-63.1-41.9175.2-63.9-69.3000111.3H35 H167 I168H35-D194 IonicContact CE1-OD1 3.92Å; H35-D194 IonicContact CE1-OD2 3.41Å; H35-D194 IonicContact CG-OD1 3.95Å; H35-D194 IonicContact ND1-OD1 2.73Å; H35-D194 PolarHBondContact ND1-OD1 2.94Å; H35-D194 IonicContact ND1-OD2 3.89Å; H167-D194 VanDerWaalsContact CA-OD2 3.27Å; H167-D194 WeakPolarHBondContact CA-OD2 3.25Å; H167-D194 IonicContact ND1-OD2 2.69Å; I168-D194 PolarHBondContact N-OD2 3.18Å; I168-D194 PolarHBondContact O-N 2.86Å
195R95.3Very high95Very high145 Ų14559.7 Ų59.755%0.54727%0.266SS..EExtended strand (participates in β ladder)trans-136.8136.2178.4-62.3-65.3-179.3178.20.8110.7I168 I169 Y170 A193 F197I168-R195 PolarHBondContact O-N 2.8Å; I169-R195 HydrophobicContact CG1-CB 4.49Å; Y170-R195 PolarHBondContact N-O 3.09Å; A193-R195 VanDerWaalsContact C-N 3.32Å; R195-F197 HydrophobicContact CB-CD2 4.48Å; R195-F197 HydrophobicContact CB-CE2 3.9Å; R195-F197 HydrophobicContact CB-CZ 4.23Å
196L96.8Very high95Very high8 Ų860.4 Ų60.44%0.04227%0.272CS..EExtended strand (participates in β ladder)trans-119.5115.6172.4-160.4161000108.6Y170 E172 L180 A184 Y188 V198 T210 V211Y170-L196 HydrophobicContact CD1-CD1 4.28Å; Y170-L196 HydrophobicContact CD1-CD2 4.22Å; Y170-L196 HydrophobicContact CD1-CG 3.87Å; Y170-L196 HydrophobicContact CG-CG 4.48Å; Y170-L196 CarbonylContact O-C 3.6Å; Y170-L196 VanDerWaalsContact O-CA 3.3Å; Y170-L196 WeakPolarHBondContact O-CA 3.3Å; E172-L196 HydrophobicContact CB-CD2 4.43Å; L180-L196 HydrophobicContact CD1-CD1 4.48Å; L180-L196 HydrophobicContact CD2-CD2 3.97Å; A184-L196 HydrophobicContact CB-CD1 4.14Å; A184-L196 WeakPolarHBondContact O-CD1 3.49Å; Y188-L196 HydrophobicContact CD2-CD1 4.34Å; L196-V198 HydrophobicContact CD2-CG1 3.75Å; L196-T210 HydrophobicContact CB-CG2 4.2Å; L196-T210 HydrophobicContact CD2-CG2 3.73Å; L196-T210 HydrophobicContact CG-CG2 4.36Å; L196-T210 CarbonylContact O-C 3.56Å; L196-T210 WeakPolarHBondContact O-CA 3.42Å; L196-T210 WeakPolarHBondContact O-CB 3.48Å; L196-V211 PolarHBondContact O-N 2.84Å
197F96.5Very high95Very high44 Ų4458.5 Ų58.519%0.19326%0.261CS..EExtended strand (participates in β ladder)trans-96.3139.9-179.2-68.2-74.3000112I169 Y170 V171 E172 R195 V211 I213I169-F197 HydrophobicContact CD1-CE2 4.41Å; I169-F197 HydrophobicContact CG2-CD2 3.46Å; I169-F197 VanDerWaalsContact CG2-CD2 3.46Å; I169-F197 HydrophobicContact CG2-CE2 3.39Å; Y170-F197 PolarHBondContact O-N 3.19Å; V171-F197 HydrophobicContact CG1-CB 4.39Å; V171-F197 HydrophobicContact CG2-CB 4.29Å; V171-F197 HydrophobicContact CG2-CD2 4.22Å; E172-F197 WeakPolarHBondContact CB-O 3.41Å; E172-F197 PolarHBondContact N-O 2.95Å; R195-F197 HydrophobicContact CB-CD2 4.48Å; R195-F197 HydrophobicContact CB-CE2 3.9Å; R195-F197 HydrophobicContact CB-CZ 4.23Å; F197-V211 CarbonylContact C-O 3.2Å; F197-V211 VanDerWaalsContact CA-O 3.31Å; F197-V211 WeakPolarHBondContact CA-O 3.33Å; F197-V211 HydrophobicContact CD1-CB 3.56Å; F197-V211 HydrophobicContact CD1-CG1 3.78Å; F197-V211 HydrophobicContact CE1-CB 3.63Å; F197-V211 HydrophobicContact CE1-CG1 3.56Å; F197-V211 HydrophobicContact CE1-CG2 4.31Å; F197-I213 HydrophobicContact CB-CD1 3.87Å; F197-I213 HydrophobicContact CB-CG1 4.16Å; F197-I213 HydrophobicContact CB-CG2 4.34Å; F197-I213 HydrophobicContact CD1-CB 4.49Å; F197-I213 HydrophobicContact CD1-CG2 3.25Å; F197-I213 HydrophobicContact CE1-CG2 3.74Å; F197-I213 HydrophobicContact CG-CD1 4.49Å; F197-I213 HydrophobicContact CG-CG2 4.08Å
198V96Very high94.9Very high0 Ų067.6 Ų67.60%030%0.295CS..EExtended strand (participates in β ladder)trans-133.4148-179.6-62.90000111.4E172 L180 L196 L203 Q204 T210 V211 Y212 I213E172-V198 HydrophobicContact CB-CG1 4.24Å; L180-V198 HydrophobicContact CD2-CG1 4.05Å; L196-V198 HydrophobicContact CD2-CG1 3.75Å; V198-L203 HydrophobicContact CB-CB 4.47Å; V198-L203 HydrophobicContact CB-CD2 3.8Å; V198-L203 HydrophobicContact CB-CG 4.38Å; V198-L203 HydrophobicContact CG1-CD2 3.5Å; V198-L203 VanDerWaalsContact CG1-CD2 3.5Å; V198-L203 HydrophobicContact CG1-CG 4.06Å; V198-Q204 HydrophobicContact CG2-CB 3.94Å; V198-T210 HydrophobicContact CG1-CG2 3.97Å; V198-T210 WeakPolarHBondContact CG2-OG1 3.32Å; V198-V211 PolarHBondContact N-O 3.27Å; V198-Y212 WeakPolarHBondContact O-CA 3.42Å; V198-I213 WeakPolarHBondContact O-CG1 3.44Å; V198-I213 PolarHBondContact O-N 2.97Å
199Q94.3Very high94.9Very high3 Ų369.5 Ų69.51%0.01430%0.302CS..SBendtrans-97.8-5.4-176.4-61.379.7600113.5E172 I174 Y212 G214E172-Q199 VanDerWaalsContact O-CD 3.27Å; E172-Q199 PolarHBondContact O-NE2 3.41Å; E172-Q199 PolarHBondContact O-OE1 3.36Å; E172-Q199 VanDerWaalsContact O-OE1 3.05Å; I174-Q199 HydrophobicContact CG1-CG 4.15Å; Q199-Y212 VanDerWaalsContact O-CE2 3.29Å; Q199-Y212 WeakPolarHBondContact O-CE2 3.14Å; Q199-G214 WeakPolarHBondContact CA-O 3.3Å; Q199-G214 VanDerWaalsContact CB-O 3.3Å; Q199-G214 WeakPolarHBondContact CB-O 3.29Å; Q199-G214 WeakPolarHBondContact CG-O 3.38Å
200W94.8Very high94.9Very high47 Ų4763.8 Ų63.818%0.17828%0.276CS..  trans-123.2124.3-173.3-59.398000110.8I174 V177 Q202 L203 Q204 R215I174-W200 PolarHBondContact O-NE1 3.48Å; V177-W200 HydrophobicContact CB-CD2 4.3Å; V177-W200 HydrophobicContact CB-CG 4.41Å; V177-W200 HydrophobicContact CG1-CD2 3.86Å; V177-W200 HydrophobicContact CG1-CE3 3.98Å; V177-W200 HydrophobicContact CG1-CG 4.18Å; V177-W200 HydrophobicContact CG1-CZ3 4.36Å; V177-W200 HydrophobicContact CG2-CD2 4.22Å; V177-W200 HydrophobicContact CG2-CH2 4.29Å; V177-W200 HydrophobicContact CG2-CZ2 3.74Å; W200-Q202 PolarHBondContact O-N 2.92Å; W200-L203 HydrophobicContact CB-CB 4.12Å; W200-L203 VanDerWaalsContact O-CB 3.32Å; W200-L203 WeakPolarHBondContact O-CB 3.36Å; W200-L203 PolarHBondContact O-N 3.4Å; W200-Q204 PolarHBondContact O-N 3.24Å; W200-R215 VanDerWaalsContact CZ3-NH2 3.28Å
201P93.8Very high95Very high50 Ų5063.7 Ų63.733%0.32527%0.273SS..Hα-helixtrans-64.7-29.2-178.326-34.1000112.2L203 Q204 R205 Y212P201-L203 VanDerWaalsContact C-N 3.27Å; P201-L203 PolarHBondContact O-N 3.31Å; P201-Q204 PolarHBondContact O-N 3.16Å; P201-R205 WeakPolarHBondContact O-CG 3.32Å; P201-R205 PolarHBondContact O-N 3.17Å; P201-Y212 HydrophobicContact CB-CE2 4.38Å; P201-Y212 HydrophobicContact CG-CE2 4.47Å
202Q94.1Very high95.1Very high91 Ų9161.4 Ų61.443%0.42527%0.265SS..Hα-helixtrans-60.1-40173.4-58.680.3-1.800111.4W200 R205 K206W200-Q202 PolarHBondContact O-N 2.92Å; Q202-R205 PolarHBondContact O-N 2.68Å; Q202-K206 PolarHBondContact O-N 3.34Å; Q202-K206 VanDerWaalsContact O-N 3.16Å
203L93.3Very high95Very high0 Ų063.9 Ų63.90%028%0.278CS..Hα-helixtrans-69.7-41.8178.9-164.967.2000110.7E172 L180 V198 W200 P201 R205 K206 Y207E172-L203 HydrophobicContact CG-CD2 4.25Å; L180-L203 HydrophobicContact CD2-CD1 4.28Å; L180-L203 HydrophobicContact CD2-CD2 3.74Å; L180-L203 HydrophobicContact CD2-CG 4.09Å; L180-L203 HydrophobicContact CG-CD1 4.23Å; L180-L203 HydrophobicContact CG-CG 4.49Å; V198-L203 HydrophobicContact CB-CB 4.47Å; V198-L203 HydrophobicContact CB-CD2 3.8Å; V198-L203 HydrophobicContact CB-CG 4.38Å; V198-L203 HydrophobicContact CG1-CD2 3.5Å; V198-L203 VanDerWaalsContact CG1-CD2 3.5Å; V198-L203 HydrophobicContact CG1-CG 4.06Å; W200-L203 HydrophobicContact CB-CB 4.12Å; W200-L203 VanDerWaalsContact O-CB 3.32Å; W200-L203 WeakPolarHBondContact O-CB 3.36Å; W200-L203 PolarHBondContact O-N 3.4Å; P201-L203 VanDerWaalsContact C-N 3.27Å; P201-L203 PolarHBondContact O-N 3.31Å; L203-R205 PolarHBondContact O-N 3.18Å; L203-K206 PolarHBondContact O-N 3.5Å; L203-Y207 HydrophobicContact CD1-CD2 3.81Å; L203-Y207 HydrophobicContact CD1-CE2 3.82Å; L203-Y207 HydrophobicContact CG-CD2 4.2Å; L203-Y207 WeakPolarHBondContact O-CD2 3.44Å; L203-Y207 PolarHBondContact O-N 2.84Å
204Q95Very high94.7Very high67 Ų6763.5 Ų63.531%0.31328%0.276SS..Hα-helixtrans-61.7-43.2174.4-167.7-162.112.100112.1V198 W200 P201 K206 Y207 W208 T210V198-Q204 HydrophobicContact CG2-CB 3.94Å; W200-Q204 PolarHBondContact O-N 3.24Å; P201-Q204 PolarHBondContact O-N 3.16Å; Q204-K206 VanDerWaalsContact C-N 3.27Å; Q204-K206 PolarHBondContact O-N 3.16Å; Q204-Y207 CarbonylContact O-C 3.01Å; Q204-Y207 PolarHBondContact O-N 3.21Å; Q204-Y207 VanDerWaalsContact O-N 3.17Å; Q204-Y207 VanDerWaalsContact O-O 3.13Å; Q204-W208 WeakPolarHBondContact O-CA 3.46Å; Q204-W208 PolarHBondContact O-N 3.37Å; Q204-W208 VanDerWaalsContact O-N 3.16Å; Q204-T210 WeakPolarHBondContact CA-OG1 3.44Å
205R94.3Very high93.8Very high191 Ų19169.9 Ų69.972%0.72130%0.296SS*.Hα-helixtrans-59.3-38.8175.9-73.8-172.6-65.7-158.73.5112.2P201 Q202 L203P201-R205 WeakPolarHBondContact O-CG 3.32Å; P201-R205 PolarHBondContact O-N 3.17Å; Q202-R205 PolarHBondContact O-N 2.68Å; L203-R205 PolarHBondContact O-N 3.18Å
206K95Very high92.6Very high124 Ų12466.6 Ų66.654%0.53929%0.286SS..Hα-helixtrans-74.4-33.9176.6-173169.8179.6169.40112.7Q202 L203 Q204Q202-K206 PolarHBondContact O-N 3.34Å; Q202-K206 VanDerWaalsContact O-N 3.16Å; L203-K206 PolarHBondContact O-N 3.5Å; Q204-K206 VanDerWaalsContact C-N 3.27Å; Q204-K206 PolarHBondContact O-N 3.16Å
207Y95.2Very high92.4Very high26 Ų2669.5 Ų69.510%0.10230%0.298CS..SBendtrans-123.475.7-177.9-61-81.1000110L180 Y188 L203 Q204 R209 T210L180-Y207 HydrophobicContact CB-CE2 4.17Å; L180-Y207 HydrophobicContact CD1-CD1 3.57Å; L180-Y207 HydrophobicContact CD1-CD2 3.78Å; L180-Y207 HydrophobicContact CD1-CE1 3.77Å; L180-Y207 HydrophobicContact CD1-CE2 3.98Å; L180-Y207 HydrophobicContact CD1-CG 3.58Å; L180-Y207 HydrophobicContact CG-CD1 4.32Å; L180-Y207 HydrophobicContact CG-CD2 3.66Å; L180-Y207 HydrophobicContact CG-CE1 4.31Å; L180-Y207 HydrophobicContact CG-CE2 3.64Å; L180-Y207 HydrophobicContact CG-CG 4.01Å; Y188-Y207 HydrophobicContact CD1-CD1 4.12Å; Y188-Y207 AromaticContact CE1-CD1 3.82Å; Y188-Y207 HydrophobicContact CE1-CD1 3.82Å; Y188-Y207 HydrophobicContact CE2-CD1 4.35Å; Y188-Y207 AromaticContact CZ-CD1 3.97Å; L203-Y207 HydrophobicContact CD1-CD2 3.81Å; L203-Y207 HydrophobicContact CD1-CE2 3.82Å; L203-Y207 HydrophobicContact CG-CD2 4.2Å; L203-Y207 WeakPolarHBondContact O-CD2 3.44Å; L203-Y207 PolarHBondContact O-N 2.84Å; Q204-Y207 CarbonylContact O-C 3.01Å; Q204-Y207 PolarHBondContact O-N 3.21Å; Q204-Y207 VanDerWaalsContact O-N 3.17Å; Q204-Y207 VanDerWaalsContact O-O 3.13Å; Y207-R209 PolarHBondContact O-N 3.32Å; Y207-T210 WeakPolarHBondContact O-CB 3.45Å; Y207-T210 WeakPolarHBondContact O-CG2 3.35Å; Y207-T210 PolarHBondContact O-N 2.64Å; Y207-T210 PolarHBondContact O-OG1 3.03Å
208W95Very high92.2Very high192 Ų19270.8 Ų70.873%0.72730%0.304SS*.THydrogen-bonded Turntrans-58.6-21.2-169.264.7-94.8000115.5Q204 T210Q204-W208 WeakPolarHBondContact O-CA 3.46Å; Q204-W208 PolarHBondContact O-N 3.37Å; Q204-W208 VanDerWaalsContact O-N 3.16Å; W208-T210 VanDerWaalsContact C-N 3.25Å; W208-T210 PolarHBondContact O-N 2.82Å
209R95.5Very high91.9Very high59 Ų5974.8 Ų74.822%0.22332%0.321CS..THydrogen-bonded Turntrans-79.8-5.5175.6-60.9-178.5-80129.4-10.3113.8Y188 R191 Y207Y188-R209 HydrophobicContact CE2-CB 3.62Å; Y188-R209 HydrophobicContact CE2-CG 4.44Å; Y188-R209 VanDerWaalsContact O-CZ 3.3Å; Y188-R209 PolarHBondContact O-NH1 3Å; Y188-R209 PolarHBondContact O-NH2 2.91Å; Y188-R209 PolarHBondContact OH-NE 3.46Å; R191-R209 VanDerWaalsContact CZ-CD 3.44Å; R191-R209 VanDerWaalsContact CZ-CZ 3.49Å; R191-R209 VanDerWaalsContact NH1-CD 3.32Å; Y207-R209 PolarHBondContact O-N 3.32Å
210T96.1Very high91.8Very high4 Ų479 Ų793%0.02534%0.339CS..SBendtrans-81.6155.8175.365.40000110.8Y188 L196 V198 Q204 Y207 W208Y188-T210 HydrophobicContact CD2-CG2 3.99Å; Y188-T210 HydrophobicContact CE2-CG2 3.89Å; L196-T210 HydrophobicContact CB-CG2 4.2Å; L196-T210 HydrophobicContact CD2-CG2 3.73Å; L196-T210 HydrophobicContact CG-CG2 4.36Å; L196-T210 CarbonylContact O-C 3.56Å; L196-T210 WeakPolarHBondContact O-CA 3.42Å; L196-T210 WeakPolarHBondContact O-CB 3.48Å; V198-T210 HydrophobicContact CG1-CG2 3.97Å; V198-T210 WeakPolarHBondContact CG2-OG1 3.32Å; Q204-T210 WeakPolarHBondContact CA-OG1 3.44Å; Y207-T210 WeakPolarHBondContact O-CB 3.45Å; Y207-T210 WeakPolarHBondContact O-CG2 3.35Å; Y207-T210 PolarHBondContact O-N 2.64Å; Y207-T210 PolarHBondContact O-OG1 3.03Å; W208-T210 VanDerWaalsContact C-N 3.25Å; W208-T210 PolarHBondContact O-N 2.82Å
211V95.9Very high91.6Very high48 Ų4881 Ų8129%0.29135%0.349SS..EExtended strand (participates in β ladder)trans-106.6121.9177-178.60000108.5L196 F197 V198L196-V211 PolarHBondContact O-N 2.84Å; F197-V211 CarbonylContact C-O 3.2Å; F197-V211 VanDerWaalsContact CA-O 3.31Å; F197-V211 WeakPolarHBondContact CA-O 3.33Å; F197-V211 HydrophobicContact CD1-CB 3.56Å; F197-V211 HydrophobicContact CD1-CG1 3.78Å; F197-V211 HydrophobicContact CE1-CB 3.63Å; F197-V211 HydrophobicContact CE1-CG1 3.56Å; F197-V211 HydrophobicContact CE1-CG2 4.31Å; V198-V211 PolarHBondContact N-O 3.27Å
212Y95.5Very high91.5Very high107 Ų10783.1 Ų83.142%0.4235%0.35SS..EExtended strand (participates in β ladder)trans-76.5128.1175171.8-104.9000110.6V198 Q199 P201V198-Y212 WeakPolarHBondContact O-CA 3.42Å; Q199-Y212 VanDerWaalsContact O-CE2 3.29Å; Q199-Y212 WeakPolarHBondContact O-CE2 3.14Å; P201-Y212 HydrophobicContact CB-CE2 4.38Å; P201-Y212 HydrophobicContact CG-CE2 4.47Å
213I92.7Very high91.3Very high69 Ų6982.5 Ų82.535%0.35435%0.345SS..  trans-118.4-4.6179.851.8164000113.9V171 F197 V198 F216V171-I213 HydrophobicContact CG1-CD1 4.3Å; F197-I213 HydrophobicContact CB-CD1 3.87Å; F197-I213 HydrophobicContact CB-CG1 4.16Å; F197-I213 HydrophobicContact CB-CG2 4.34Å; F197-I213 HydrophobicContact CD1-CB 4.49Å; F197-I213 HydrophobicContact CD1-CG2 3.25Å; F197-I213 HydrophobicContact CE1-CG2 3.74Å; F197-I213 HydrophobicContact CG-CD1 4.49Å; F197-I213 HydrophobicContact CG-CG2 4.08Å; V198-I213 WeakPolarHBondContact O-CG1 3.44Å; V198-I213 PolarHBondContact O-N 2.97Å; I213-F216 HydrophobicContact CD1-CD1 4.07Å; I213-F216 HydrophobicContact CD1-CE1 4.05Å
214G89.2Confident91.1Very high9 Ų988.8 Ų88.89%0.09337%0.372CS..  trans67.8-156.1-172.300000112.7Q199Q199-G214 WeakPolarHBondContact CA-O 3.3Å; Q199-G214 VanDerWaalsContact CB-O 3.3Å; Q199-G214 WeakPolarHBondContact CB-O 3.29Å; Q199-G214 WeakPolarHBondContact CG-O 3.38Å
215R75.9Confident90.8Very high184 Ų18490.7 Ų90.769%0.69438%0.376SS*.  trans-100139-178.8-61.6-179.4-176170.23.4109.7W200W200-R215 VanDerWaalsContact CZ3-NH2 3.28Å
216F69.4Low90.5Very high75 Ų7581.5 Ų81.533%0.32935%0.345SS..  trans-121.10176.460.8-97.4000112.1R63 L64 V171 I213R63-F216 HydrophobicContact CG-CD2 4.27Å; R63-F216 PolarHBondContact NE-O 3.4Å; R63-F216 PolarHBondContact NE-OXT 3.46Å; R63-F216 PolarHBondContact NH1-O 3.49Å; R63-F216 VanDerWaalsContact NH2-C 3.26Å; R63-F216 PolarHBondContact NH2-O 2.93Å; R63-F216 PolarHBondContact NH2-OXT 3.12Å; L64-F216 HydrophobicContact CB-CE2 3.91Å; L64-F216 HydrophobicContact CB-CZ 4.18Å; L64-F216 HydrophobicContact CD1-CE1 4.19Å; L64-F216 HydrophobicContact CD1-CE2 4.46Å; L64-F216 HydrophobicContact CD1-CZ 3.96Å; V171-F216 HydrophobicContact CG1-CE1 4.21Å; V171-F216 HydrophobicContact CG1-CZ 4.47Å; I213-F216 HydrophobicContact CD1-CD1 4.07Å; I213-F216 HydrophobicContact CD1-CE1 4.05Å

Retrieved 216 of 216 residues in 279.2 ms (Link to these results)

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