Q9ARU3_ORYSJ Loading...

Os01g0121800 protein

AlphaFold DB , UniProt , Accession Q9ARU3, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene n/a, Length 402 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
1M51Low67.8Low217 Ų217115.3 Ų115.3100%1.06963%0.629SS**  0105.70-69.7168.780.200107.3
2G51.3Low69.4Low45 Ų45113.3 Ų113.346%0.46462%0.623SS.*  trans-69.3155.1-169.800000111.5A4 D5G2-A4 PolarHBondContact O-N 2.81Å; G2-D5 PolarHBondContact O-N 3.27Å
3A60.2Low70.8Confident78 Ų78109.5 Ų109.565%0.64561%0.61SS**THydrogen-bonded Turntrans-52.8-20.4178.500000113.6W7A3-W7 VanDerWaalsContact O-CD1 3.29Å
4A61.2Low72.3Confident72 Ų72108.4 Ų108.460%0.59561%0.606SS**THydrogen-bonded Turntrans-65.2-35.8174.300000114.4G2 K6 W7G2-A4 PolarHBondContact O-N 2.81Å; A4-K6 VanDerWaalsContact C-N 3.31Å; A4-K6 PolarHBondContact O-N 3.02Å; A4-W7 PolarHBondContact O-N 3.06Å
5D61Low73.5Confident90 Ų90105.6 Ų105.648%0.48160%0.597SS.*Hα-helixtrans-72.5-25.1-177.1-71.2-31.4000112.8G2 W7G2-D5 PolarHBondContact O-N 3.27Å; D5-W7 VanDerWaalsContact C-N 3.3Å; D5-W7 PolarHBondContact O-N 2.72Å
6K67.3Low74.6Confident169 Ų169106.8 Ų106.874%0.73559%0.594SS**Hα-helixtrans-72.7-22.5-179.6-72-174.9177-178.70113.3A4 P10A4-K6 VanDerWaalsContact C-N 3.31Å; A4-K6 PolarHBondContact O-N 3.02Å; K6-P10 WeakPolarHBondContact O-CD 3.42Å
7W72Confident75.7Confident183 Ų183105.1 Ų105.169%0.69359%0.587SS**Hα-helixtrans-97-17.6-179.1-68.2102.9000113.6A3 A4 D5 P10 L11A3-W7 VanDerWaalsContact O-CD1 3.29Å; A4-W7 PolarHBondContact O-N 3.06Å; D5-W7 VanDerWaalsContact C-N 3.3Å; D5-W7 PolarHBondContact O-N 2.72Å; W7-P10 WeakPolarHBondContact O-CD 3.16Å; W7-P10 WeakPolarHBondContact O-CG 3.21Å; W7-L11 WeakPolarHBondContact O-CB 3.42Å; W7-L11 PolarHBondContact O-N 3.24Å; W7-L11 VanDerWaalsContact O-N 3.09Å
8L76Confident76.6Confident103 Ų103102.8 Ų102.854%0.53958%0.579SS.*Hα-helixtrans-62.4-47.4-177.2-110135.5000113L11 V12L8-L11 PolarHBondContact O-N 3.03Å; L8-V12 WeakPolarHBondContact O-CB 3.48Å; L8-V12 VanDerWaalsContact O-CG2 3.27Å; L8-V12 WeakPolarHBondContact O-CG2 3.46Å; L8-V12 PolarHBondContact O-N 2.92Å
9L76.3Confident77.4Confident135 Ų135102.4 Ų102.471%0.70758%0.575SS**Hα-helixtrans-60.7-50.2178.6-98.6130.9000114.1L11 S13L9-L11 VanDerWaalsContact C-N 3.35Å; L9-L11 PolarHBondContact O-N 3.35Å; L9-S13 WeakPolarHBondContact O-CB 3.44Å; L9-S13 PolarHBondContact O-N 2.8Å; L9-S13 PolarHBondContact O-OG 3.14Å
10P84.9Confident78Confident57 Ų57101.7 Ų101.737%0.3757%0.569SS.*Hα-helixtrans-65.3-36.117617.2-25.5000112.5K6 W7 S13 V14K6-P10 WeakPolarHBondContact O-CD 3.42Å; W7-P10 WeakPolarHBondContact O-CD 3.16Å; W7-P10 WeakPolarHBondContact O-CG 3.21Å; P10-S13 PolarHBondContact O-N 2.89Å; P10-V14 VanDerWaalsContact O-CG2 3.31Å; P10-V14 WeakPolarHBondContact O-CG2 3.44Å; P10-V14 PolarHBondContact O-N 3.39Å
11L84.9Confident78.5Confident119 Ų119102 Ų10262%0.62357%0.569SS**Hα-helixtrans-65.7-42.9178.7-141.3106.9000112.2W7 L8 L9 S15W7-L11 WeakPolarHBondContact O-CB 3.42Å; W7-L11 PolarHBondContact O-N 3.24Å; W7-L11 VanDerWaalsContact O-N 3.09Å; L8-L11 PolarHBondContact O-N 3.03Å; L9-L11 VanDerWaalsContact C-N 3.35Å; L9-L11 PolarHBondContact O-N 3.35Å; L11-S15 WeakPolarHBondContact O-CB 3.24Å; L11-S15 PolarHBondContact O-N 3.46Å; L11-S15 PolarHBondContact O-OG 3.06Å
12V87Confident80.2Confident91 Ų9197.8 Ų97.855%0.55255%0.545SS*.Hα-helixtrans-64.3-42174.5172.30000110.6L8 S15 F16L8-V12 WeakPolarHBondContact O-CB 3.48Å; L8-V12 VanDerWaalsContact O-CG2 3.27Å; L8-V12 WeakPolarHBondContact O-CG2 3.46Å; L8-V12 PolarHBondContact O-N 2.92Å; V12-S15 PolarHBondContact O-N 3.17Å; V12-F16 WeakPolarHBondContact O-CB 3.49Å; V12-F16 PolarHBondContact O-N 3.3Å
13S87.5Confident81.7Confident65 Ų65100.1 Ų100.146%0.45555%0.546SS..Hα-helixtrans-63.9-45.6179.3-57.80000112.1L9 P10 S15 F16 V17L9-S13 WeakPolarHBondContact O-CB 3.44Å; L9-S13 PolarHBondContact O-N 2.8Å; L9-S13 PolarHBondContact O-OG 3.14Å; P10-S13 PolarHBondContact O-N 2.89Å; S13-S15 VanDerWaalsContact C-N 3.34Å; S13-S15 PolarHBondContact O-N 2.96Å; S13-F16 PolarHBondContact O-N 3.38Å; S13-V17 WeakPolarHBondContact O-CG2 3.49Å; S13-V17 PolarHBondContact O-N 3.07Å
14V91.8Very high82.4Confident93 Ų9399.4 Ų99.456%0.56454%0.537SS*.Hα-helixtrans-64.6-39.8176.7172.10000111P10 V17 S18P10-V14 VanDerWaalsContact O-CG2 3.31Å; P10-V14 WeakPolarHBondContact O-CG2 3.44Å; P10-V14 PolarHBondContact O-N 3.39Å; V14-V17 PolarHBondContact O-N 3.47Å; V14-S18 VanDerWaalsContact O-CB 3.26Å; V14-S18 WeakPolarHBondContact O-CB 3.37Å; V14-S18 PolarHBondContact O-N 3.36Å; V14-S18 PolarHBondContact O-OG 3.02Å
15S90.1Very high83Confident67 Ų6798.2 Ų98.247%0.46953%0.527SS..Hα-helixtrans-64.1-42176.3-59.10000111.6L11 V12 S13 S18 L19L11-S15 WeakPolarHBondContact O-CB 3.24Å; L11-S15 PolarHBondContact O-N 3.46Å; L11-S15 PolarHBondContact O-OG 3.06Å; V12-S15 PolarHBondContact O-N 3.17Å; S13-S15 VanDerWaalsContact C-N 3.34Å; S13-S15 PolarHBondContact O-N 2.96Å; S15-S18 PolarHBondContact O-N 3.43Å; S15-L19 WeakPolarHBondContact O-CB 3.42Å; S15-L19 PolarHBondContact O-N 3.05Å
16F91.9Very high83.3Confident125 Ų12597.8 Ų97.855%0.54852%0.524SS..Hα-helixtrans-66.1-45177.5-175.1-104.6000112.2V12 S13 L19 L20V12-F16 WeakPolarHBondContact O-CB 3.49Å; V12-F16 PolarHBondContact O-N 3.3Å; S13-F16 PolarHBondContact O-N 3.38Å; F16-L19 PolarHBondContact O-N 3.08Å; F16-L20 HydrophobicContact CD1-CD1 3.79Å; F16-L20 HydrophobicContact CD1-CG 4.5Å; F16-L20 HydrophobicContact CE1-CD1 3.39Å; F16-L20 HydrophobicContact CE1-CG 4.2Å; F16-L20 HydrophobicContact CZ-CD1 3.94Å; F16-L20 HydrophobicContact CZ-CG 4.36Å; F16-L20 WeakPolarHBondContact O-CG 3.36Å; F16-L20 PolarHBondContact O-N 2.94Å
17V92.3Very high83.1Confident77 Ų7793.1 Ų93.147%0.46751%0.513SS..Hα-helixtrans-64.2-41.1175.4173.80000111.1S13 V14 L19 L20 L21S13-V17 WeakPolarHBondContact O-CG2 3.49Å; S13-V17 PolarHBondContact O-N 3.07Å; V14-V17 PolarHBondContact O-N 3.47Å; V17-L19 VanDerWaalsContact C-N 3.34Å; V17-L19 PolarHBondContact O-N 3.26Å; V17-L20 PolarHBondContact O-N 3.49Å; V17-L21 HydrophobicContact CG1-CD1 4.06Å; V17-L21 HydrophobicContact CG1-CG 4.39Å; V17-L21 WeakPolarHBondContact O-CB 3.42Å; V17-L21 WeakPolarHBondContact O-CG 3.35Å; V17-L21 PolarHBondContact O-N 2.7Å
18S91.4Very high82.5Confident65 Ų6586 Ų8646%0.45550%0.497SS..Hα-helixtrans-64.2-39.6176.8-59.50000111.7V14 S15 L21 F22V14-S18 VanDerWaalsContact O-CB 3.26Å; V14-S18 WeakPolarHBondContact O-CB 3.37Å; V14-S18 PolarHBondContact O-N 3.36Å; V14-S18 PolarHBondContact O-OG 3.02Å; S15-S18 PolarHBondContact O-N 3.43Å; S18-L21 PolarHBondContact O-N 3.03Å; S18-F22 VanDerWaalsContact O-CB 3.28Å; S18-F22 WeakPolarHBondContact O-CB 3.17Å; S18-F22 PolarHBondContact O-N 3.09Å
19L92.5Very high81.3Confident94 Ų9488.7 Ų88.749%0.49250%0.504SS..Hα-helixtrans-64.5-43.1174.2-175.365.8000111.4S15 F16 V17 F22 L23S15-L19 WeakPolarHBondContact O-CB 3.42Å; S15-L19 PolarHBondContact O-N 3.05Å; F16-L19 PolarHBondContact O-N 3.08Å; V17-L19 VanDerWaalsContact C-N 3.34Å; V17-L19 PolarHBondContact O-N 3.26Å; L19-F22 PolarHBondContact O-N 3.35Å; L19-L23 HydrophobicContact CD1-CD1 4.49Å; L19-L23 HydrophobicContact CG-CD1 4.11Å; L19-L23 WeakPolarHBondContact O-CB 3.17Å; L19-L23 VanDerWaalsContact O-CG 3.23Å; L19-L23 WeakPolarHBondContact O-CG 3.44Å; L19-L23 PolarHBondContact O-N 2.82Å
20L89.4Confident80.2Confident89 Ų8985.6 Ų85.647%0.46649%0.494SS..Hα-helixtrans-62.1-42.9175.1-76.9171.9000112.2F16 V17 L23 S24F16-L20 HydrophobicContact CD1-CD1 3.79Å; F16-L20 HydrophobicContact CD1-CG 4.5Å; F16-L20 HydrophobicContact CE1-CD1 3.39Å; F16-L20 HydrophobicContact CE1-CG 4.2Å; F16-L20 HydrophobicContact CZ-CD1 3.94Å; F16-L20 HydrophobicContact CZ-CG 4.36Å; F16-L20 WeakPolarHBondContact O-CG 3.36Å; F16-L20 PolarHBondContact O-N 2.94Å; V17-L20 PolarHBondContact O-N 3.49Å; L20-L23 PolarHBondContact O-N 2.75Å; L20-S24 WeakPolarHBondContact O-CB 3.36Å; L20-S24 PolarHBondContact O-N 3.42Å; L20-S24 PolarHBondContact O-OG 3.4Å
21L88Confident78.5Confident109 Ų10985.1 Ų85.157%0.57150%0.495SS*.Hα-helixtrans-66.6-36.9175.9-72.9174.2000112.2V17 S18 S24 A25V17-L21 HydrophobicContact CG1-CD1 4.06Å; V17-L21 HydrophobicContact CG1-CG 4.39Å; V17-L21 WeakPolarHBondContact O-CB 3.42Å; V17-L21 WeakPolarHBondContact O-CG 3.35Å; V17-L21 PolarHBondContact O-N 2.7Å; S18-L21 PolarHBondContact O-N 3.03Å; L21-S24 WeakPolarHBondContact CA-OG 3.38Å; L21-S24 PolarHBondContact O-N 3.43Å; L21-S24 PolarHBondContact O-OG 3.21Å; L21-A25 VanDerWaalsContact O-CB 3.25Å; L21-A25 WeakPolarHBondContact O-CB 3.42Å; L21-A25 PolarHBondContact O-N 2.91Å
22F87.5Confident76.7Confident128 Ų12882 Ų8256%0.56148%0.482SS*.Hα-helixtrans-67.9-42.5175.4-175.4-107.1000111.6S18 L19 A25 L26S18-F22 VanDerWaalsContact O-CB 3.28Å; S18-F22 WeakPolarHBondContact O-CB 3.17Å; S18-F22 PolarHBondContact O-N 3.09Å; L19-F22 PolarHBondContact O-N 3.35Å; F22-A25 PolarHBondContact O-N 3.41Å; F22-L26 HydrophobicContact CD1-CD1 3.62Å; F22-L26 HydrophobicContact CD1-CG 4.39Å; F22-L26 HydrophobicContact CE1-CD1 3.27Å; F22-L26 HydrophobicContact CE1-CG 4.11Å; F22-L26 HydrophobicContact CG-CD1 4.41Å; F22-L26 HydrophobicContact CZ-CD1 3.78Å; F22-L26 HydrophobicContact CZ-CD2 4.48Å; F22-L26 HydrophobicContact CZ-CG 4.19Å; F22-L26 WeakPolarHBondContact O-CB 3.49Å; F22-L26 WeakPolarHBondContact O-CG 3.3Å; F22-L26 PolarHBondContact O-N 2.93Å
23L82.1Confident75Confident93 Ų9381.1 Ų81.149%0.48748%0.48SS..Hα-helixtrans-66.2-37174.4-69.8171.9000111.9L19 L20 S27L19-L23 HydrophobicContact CD1-CD1 4.49Å; L19-L23 HydrophobicContact CG-CD1 4.11Å; L19-L23 WeakPolarHBondContact O-CB 3.17Å; L19-L23 VanDerWaalsContact O-CG 3.23Å; L19-L23 WeakPolarHBondContact O-CG 3.44Å; L19-L23 PolarHBondContact O-N 2.82Å; L20-L23 PolarHBondContact O-N 2.75Å; L23-S27 WeakPolarHBondContact O-CB 3.34Å; L23-S27 PolarHBondContact O-N 3.39Å; L23-S27 PolarHBondContact O-OG 3.07Å
24S76.2Confident73.3Confident63 Ų6381.9 Ų81.944%0.44149%0.486SS..Hα-helixtrans-70.4-38.1175700000111.8L20 L21 S27 G28L20-S24 WeakPolarHBondContact O-CB 3.36Å; L20-S24 PolarHBondContact O-N 3.42Å; L20-S24 PolarHBondContact O-OG 3.4Å; L21-S24 WeakPolarHBondContact CA-OG 3.38Å; L21-S24 PolarHBondContact O-N 3.43Å; L21-S24 PolarHBondContact O-OG 3.21Å; S24-S27 VanDerWaalsContact CA-OG 3.26Å; S24-S27 WeakPolarHBondContact CA-OG 3.29Å; S24-S27 PolarHBondContact O-N 2.73Å; S24-S27 PolarHBondContact O-OG 2.82Å; S24-G28 PolarHBondContact O-N 3.14Å
25A71.9Confident71.3Confident47 Ų4784.2 Ų84.239%0.38850%0.495SS..Hα-helixtrans-64.5-45.6172.400000111.7L21 F22 S27 G28 F29L21-A25 VanDerWaalsContact O-CB 3.25Å; L21-A25 WeakPolarHBondContact O-CB 3.42Å; L21-A25 PolarHBondContact O-N 2.91Å; F22-A25 PolarHBondContact O-N 3.41Å; A25-S27 PolarHBondContact O-N 3.36Å; A25-G28 PolarHBondContact O-N 2.88Å; A25-F29 WeakPolarHBondContact O-CB 3.27Å; A25-F29 WeakPolarHBondContact O-CD2 3.41Å; A25-F29 PolarHBondContact O-N 2.77Å
26L68.8Low69.2Low82 Ų8289.3 Ų89.343%0.42951%0.508SS..Hα-helixtrans-61.4-42.4176-80.1170.7000112.5F22 S30F22-L26 HydrophobicContact CD1-CD1 3.62Å; F22-L26 HydrophobicContact CD1-CG 4.39Å; F22-L26 HydrophobicContact CE1-CD1 3.27Å; F22-L26 HydrophobicContact CE1-CG 4.11Å; F22-L26 HydrophobicContact CG-CD1 4.41Å; F22-L26 HydrophobicContact CZ-CD1 3.78Å; F22-L26 HydrophobicContact CZ-CD2 4.48Å; F22-L26 HydrophobicContact CZ-CG 4.19Å; F22-L26 WeakPolarHBondContact O-CB 3.49Å; F22-L26 WeakPolarHBondContact O-CG 3.3Å; F22-L26 PolarHBondContact O-N 2.93Å; L26-S30 VanDerWaalsContact O-CB 3.3Å; L26-S30 WeakPolarHBondContact O-CB 3.26Å; L26-S30 PolarHBondContact O-N 3Å; L26-S30 PolarHBondContact O-OG 3.16Å
27S63.4Low67.6Low71 Ų7186.2 Ų86.250%0.49751%0.506SS..Hα-helixtrans-68.8-37.717653.90000111.8L23 S24 A25 S30 A31L23-S27 WeakPolarHBondContact O-CB 3.34Å; L23-S27 PolarHBondContact O-N 3.39Å; L23-S27 PolarHBondContact O-OG 3.07Å; S24-S27 VanDerWaalsContact CA-OG 3.26Å; S24-S27 WeakPolarHBondContact CA-OG 3.29Å; S24-S27 PolarHBondContact O-N 2.73Å; S24-S27 PolarHBondContact O-OG 2.82Å; A25-S27 PolarHBondContact O-N 3.36Å; S27-S30 PolarHBondContact O-N 2.8Å; S27-A31 VanDerWaalsContact O-CB 3.28Å; S27-A31 WeakPolarHBondContact O-CB 3.47Å; S27-A31 PolarHBondContact O-N 3.34Å
28G58Low66.5Low34 Ų3494.2 Ų94.235%0.35153%0.528SS..Hα-helixtrans-62.7-45.8171.900000113.4S24 A25 A31 S32S24-G28 PolarHBondContact O-N 3.14Å; A25-G28 PolarHBondContact O-N 2.88Å; G28-A31 PolarHBondContact O-N 3.04Å; G28-S32 WeakPolarHBondContact O-CB 3.2Å; G28-S32 PolarHBondContact O-N 3.25Å; G28-S32 PolarHBondContact O-OG 2.91Å
29F52.5Low65.9Low159 Ų15994.4 Ų94.470%0.69752%0.523SS*.Hα-helixtrans-65.6-37.4174.8-93.7-81.5000112.3A25 S32 S33A25-F29 WeakPolarHBondContact O-CB 3.27Å; A25-F29 WeakPolarHBondContact O-CD2 3.41Å; A25-F29 PolarHBondContact O-N 2.77Å; F29-S32 PolarHBondContact O-N 3.05Å; F29-S33 WeakPolarHBondContact O-CB 3.41Å; F29-S33 PolarHBondContact O-N 3.12Å; F29-S33 PolarHBondContact O-OG 3.02Å
30S52.4Low65.5Low70 Ų7091.8 Ų91.849%0.4951%0.512SS..Hα-helixtrans-68.9-39.5175-59.20000112.2L26 S27 S33 S34L26-S30 VanDerWaalsContact O-CB 3.3Å; L26-S30 WeakPolarHBondContact O-CB 3.26Å; L26-S30 PolarHBondContact O-N 3Å; L26-S30 PolarHBondContact O-OG 3.16Å; S27-S30 PolarHBondContact O-N 2.8Å; S30-S33 WeakPolarHBondContact CA-OG 3.23Å; S30-S33 PolarHBondContact O-OG 2.96Å; S30-S33 VanDerWaalsContact O-OG 3.11Å; S30-S34 WeakPolarHBondContact O-CB 3.3Å; S30-S34 PolarHBondContact O-N 3.48Å; S30-S34 PolarHBondContact O-OG 3.12Å
31A49.2Very low65.4Low47 Ų4792.6 Ų92.639%0.38852%0.522SS..Hα-helixtrans-63.9-41.4172.100000111.3S27 G28 S34 L35S27-A31 VanDerWaalsContact O-CB 3.28Å; S27-A31 WeakPolarHBondContact O-CB 3.47Å; S27-A31 PolarHBondContact O-N 3.34Å; G28-A31 PolarHBondContact O-N 3.04Å; A31-S34 WeakPolarHBondContact CA-OG 3.44Å; A31-S34 PolarHBondContact O-N 2.81Å; A31-S34 PolarHBondContact O-OG 3.34Å; A31-L35 WeakPolarHBondContact O-CB 3.25Å; A31-L35 WeakPolarHBondContact O-CD1 3.45Å; A31-L35 VanDerWaalsContact O-CG 3.25Å; A31-L35 WeakPolarHBondContact O-CG 3.18Å; A31-L35 PolarHBondContact O-N 3.5Å
32S47.4Very low65.6Low52 Ų5290.9 Ų90.936%0.36452%0.518SS..Hα-helixtrans-64.8-49.9177.9-53.70000111.4G28 F29 S34 L35 F36G28-S32 WeakPolarHBondContact O-CB 3.2Å; G28-S32 PolarHBondContact O-N 3.25Å; G28-S32 PolarHBondContact O-OG 2.91Å; F29-S32 PolarHBondContact O-N 3.05Å; S32-S34 VanDerWaalsContact C-N 3.31Å; S32-S34 PolarHBondContact O-N 3.44Å; S32-L35 WeakPolarHBondContact O-CB 3.26Å; S32-L35 PolarHBondContact O-N 3.18Å; S32-L35 VanDerWaalsContact O-N 3.08Å; S32-F36 WeakPolarHBondContact O-CD2 3.38Å; S32-F36 PolarHBondContact O-N 2.56Å
33S50.1Low65.8Low73 Ų7386.3 Ų86.351%0.5150%0.502SS..Hα-helixtrans-64.2-33.1179.148.60000113.2F29 S30 F36 A37F29-S33 WeakPolarHBondContact O-CB 3.41Å; F29-S33 PolarHBondContact O-N 3.12Å; F29-S33 PolarHBondContact O-OG 3.02Å; S30-S33 WeakPolarHBondContact CA-OG 3.23Å; S30-S33 PolarHBondContact O-OG 2.96Å; S30-S33 VanDerWaalsContact O-OG 3.11Å; S33-F36 PolarHBondContact O-N 2.79Å; S33-A37 WeakPolarHBondContact O-CB 3.43Å; S33-A37 PolarHBondContact O-N 3.26Å
34S53.6Low66.3Low81 Ų8189.7 Ų89.757%0.56651%0.509SS*.Hα-helixtrans-74-26.9171.757.10000113.8S30 A31 S32S30-S34 WeakPolarHBondContact O-CB 3.3Å; S30-S34 PolarHBondContact O-N 3.48Å; S30-S34 PolarHBondContact O-OG 3.12Å; A31-S34 WeakPolarHBondContact CA-OG 3.44Å; A31-S34 PolarHBondContact O-N 2.81Å; A31-S34 PolarHBondContact O-OG 3.34Å; S32-S34 VanDerWaalsContact C-N 3.31Å; S32-S34 PolarHBondContact O-N 3.44Å
35L48.7Very low67.2Low143 Ų14387.8 Ų87.875%0.74950%0.495SS*.Hα-helixtrans-73.3-32.5170.9-77.2164000112.5A31 S32A31-L35 WeakPolarHBondContact O-CB 3.25Å; A31-L35 WeakPolarHBondContact O-CD1 3.45Å; A31-L35 VanDerWaalsContact O-CG 3.25Å; A31-L35 WeakPolarHBondContact O-CG 3.18Å; A31-L35 PolarHBondContact O-N 3.5Å; S32-L35 WeakPolarHBondContact O-CB 3.26Å; S32-L35 PolarHBondContact O-N 3.18Å; S32-L35 VanDerWaalsContact O-N 3.08Å
36F45.2Very low68.3Low173 Ų17392.9 Ų92.976%0.75950%0.504SS*.Hα-helixtrans-93.4-13.5-179.8-69.2-66.5000114.8S32 S33 R38S32-F36 WeakPolarHBondContact O-CD2 3.38Å; S32-F36 PolarHBondContact O-N 2.56Å; S33-F36 PolarHBondContact O-N 2.79Å; F36-R38 PolarHBondContact O-N 3.36Å
37A59.2Low69.5Low60 Ų6091.2 Ų91.250%0.49649%0.492SS..SBendtrans-65107.2169.600000108.8S33 L39S33-A37 WeakPolarHBondContact O-CB 3.43Å; S33-A37 PolarHBondContact O-N 3.26Å; A37-L39 PolarHBondContact O-N 3.24Å
38R70Confident70.8Confident245 Ų24589.6 Ų89.693%0.92549%0.486SS*.  trans-52.9115.4173.5-83.6-175.7176.4175.9-0.8108.6F36F36-R38 PolarHBondContact O-N 3.36Å
39L79.1Confident72.2Confident69 Ų6992.5 Ų92.536%0.36151%0.507SS..PPolyproline II helixtrans-59.5143.6171.8-67174000108.9A37 P108 W367A37-L39 PolarHBondContact O-N 3.24Å; L39-P108 HydrophobicContact CD1-CB 4.11Å; L39-P108 HydrophobicContact CD2-CB 3.61Å; L39-W367 HydrophobicContact CB-CH2 4.09Å; L39-W367 HydrophobicContact CB-CZ2 4.49Å; L39-W367 HydrophobicContact CD2-CH2 4.23Å
40P83.8Confident74.1Confident39 Ų3990.3 Ų90.325%0.25352%0.519SS..PPolyproline II helixtrans-53.7147.2169.5-19.730.8000109.6W367P40-W367 HydrophobicContact CB-CZ2 4.23Å; P40-W367 HydrophobicContact CG-CD2 4.5Å; P40-W367 HydrophobicContact CG-CZ2 4.46Å; P40-W367 WeakPolarHBondContact O-CZ2 3.34Å
41P87Confident76.2Confident106 Ų10687.5 Ų87.569%0.68850%0.5SS*.PPolyproline II helixtrans-59.9153.6170.726.7-33.5000110.2S43 W367P41-S43 PolarHBondContact O-N 3.46Å; P41-W367 PolarHBondContact O-NE1 3.06Å
42P90.9Very high78.5Confident74 Ų7486.5 Ų86.548%0.48149%0.489SS..PPolyproline II helixtrans-58.9133.8173.125.3-32.9000109.7F113P42-F113 HydrophobicContact CB-CD1 3.78Å; P42-F113 HydrophobicContact CB-CE1 3.86Å; P42-F113 HydrophobicContact CB-CG 4.15Å; P42-F113 HydrophobicContact CB-CZ 4.28Å
43S91.8Very high80.9Confident31 Ų3184 Ų8422%0.21747%0.472CS..PPolyproline II helixtrans-72142175.8-170.20000109.9P41 V45 F113 S368P41-S43 PolarHBondContact O-N 3.46Å; S43-V45 PolarHBondContact O-N 3.39Å; S43-F113 WeakPolarHBondContact O-CE1 3.5Å; S43-S368 WeakPolarHBondContact CB-O 3.32Å; S43-S368 PolarHBondContact OG-O 3.02Å
44Y93.3Very high83.1Confident165 Ų16580.6 Ų80.665%0.64745%0.448SS*.PPolyproline II helixtrans-64.9125.4179178.3-105.8000111.1R46 N371Y44-R46 HydrophobicContact CD1-CG 3.98Å; Y44-R46 HydrophobicContact CE1-CB 4.45Å; Y44-R46 HydrophobicContact CE1-CG 3.88Å; Y44-N371 PolarHBondContact O-ND2 2.68Å
45V94.8Very high85.3Confident23 Ų2376.8 Ų76.814%0.13942%0.421CS..  trans-88.8108175.4-1770000108.3S43 R47 R80 V370S43-V45 PolarHBondContact O-N 3.39Å; V45-R47 VanDerWaalsContact CG1-NH1 3.29Å; V45-R80 HydrophobicContact CG1-CB 4.15Å; V45-R80 HydrophobicContact CG1-CG 4.11Å; V45-V370 HydrophobicContact CG2-CG2 3.74Å
46R94.9Very high87.7Confident154 Ų15470 Ų7058%0.58139%0.385SS*.  trans-67.5137.7171.2-62.8179.5176.7-173.8-2109.4Y44 A51 R80 N371Y44-R46 HydrophobicContact CD1-CG 3.98Å; Y44-R46 HydrophobicContact CE1-CB 4.45Å; Y44-R46 HydrophobicContact CE1-CG 3.88Å; R46-A51 HydrophobicContact CB-CB 3.81Å; R46-A51 WeakPolarHBondContact O-CB 3.38Å; R46-R80 PolarHBondContact O-NH2 3.31Å; R46-N371 WeakPolarHBondContact CA-OD1 3.33Å; R46-N371 VanDerWaalsContact CB-OD1 3.25Å; R46-N371 WeakPolarHBondContact CB-OD1 3.29Å; R46-N371 PolarHBondContact N-OD1 2.87Å
47R94.2Very high90.2Very high47 Ų4761.7 Ų61.718%0.17735%0.349CS..  trans-120.4169.5-179.6-59.9-67-161.8-1604.6110.5V45 S54 R80 D147 E149V45-R47 VanDerWaalsContact CG1-NH1 3.29Å; R47-S54 PolarHBondContact NH1-OG 2.93Å; R47-R80 PolarHBondContact NH1-O 2.98Å; R47-R80 PolarHBondContact NH2-O 3.24Å; R47-D147 IonicContact CZ-OD2 3.88Å; R47-D147 IonicContact NH2-OD1 3.92Å; R47-D147 IonicContact NH2-OD2 3.45Å; R47-D147 PolarHBondContact NH2-OD2 3.2Å; R47-E149 HydrophobicContact CB-CB 3.88Å; R47-E149 HydrophobicContact CB-CG 4.33Å; R47-E149 VanDerWaalsContact CB-OE1 3.25Å; R47-E149 WeakPolarHBondContact CB-OE1 3.49Å; R47-E149 HydrophobicContact CG-CB 3.6Å; R47-E149 HydrophobicContact CG-CG 4.21Å; R47-E149 WeakPolarHBondContact CG-OE2 3.3Å
48G90.4Very high92.1Very high36 Ų3659.1 Ų59.137%0.37133%0.327SS..SBendtrans91.5177.1178.400000114.8A50 A51 R178G48-A50 VanDerWaalsContact C-N 3.28Å; G48-A50 PolarHBondContact O-N 2.83Å; G48-A51 PolarHBondContact O-N 2.8Å; G48-R178 PolarHBondContact O-NH1 3.36Å
49A88.4Confident93.4Very high95 Ų9547.5 Ų47.579%0.78528%0.283SS*.THydrogen-bonded Turntrans-61.4-29.4-166.900000114.9
50A91.8Very high94.3Very high114 Ų11446 Ų4694%0.94228%0.279SS*.THydrogen-bonded Turntrans-87.6-6.1179.400000113.9G48G48-A50 VanDerWaalsContact C-N 3.28Å; G48-A50 PolarHBondContact O-N 2.83Å
51A95.8Very high94.9Very high11 Ų1144.6 Ų44.69%0.09127%0.271CS..SBendtrans-98.4157.1176.600000110.2R46 G48 R178R46-A51 HydrophobicContact CB-CB 3.81Å; R46-A51 WeakPolarHBondContact O-CB 3.38Å; G48-A51 PolarHBondContact O-N 2.8Å; A51-R178 PolarHBondContact O-NH2 2.89Å
52P97.3Very high95.2Very high25 Ų2540.1 Ų40.116%0.16224%0.244CC..PPolyproline II helixtrans-55.5150.4170-2131000111R80 I170 N371P52-R80 PolarHBondContact O-NH2 2.87Å; P52-I170 HydrophobicContact CB-CG2 3.49Å; P52-I170 VanDerWaalsContact CB-CG2 3.49Å; P52-N371 WeakPolarHBondContact CG-O 3.44Å
53P97.8Very high95.3Very high0 Ų044 Ų440%025%0.25CC..PPolyproline II helixtrans-67.9169.4-177.328.1-36.2000113.5F55 R80 D151 W152 I170 F173 S174P53-F55 HydrophobicContact CG-CE2 4.46Å; P53-F55 HydrophobicContact CG-CZ 4.45Å; P53-R80 PolarHBondContact O-NE 3.28Å; P53-D151 VanDerWaalsContact CA-OD2 3.23Å; P53-D151 WeakPolarHBondContact CA-OD2 3.31Å; P53-D151 HydrophobicContact CB-CB 4.49Å; P53-W152 HydrophobicContact CB-CE3 3.97Å; P53-W152 HydrophobicContact CB-CZ3 3.43Å; P53-W152 VanDerWaalsContact CB-CZ3 3.43Å; P53-W152 HydrophobicContact CG-CZ3 4.02Å; P53-I170 HydrophobicContact CG-CG2 4.15Å; P53-F173 HydrophobicContact CG-CB 3.81Å; P53-S174 WeakPolarHBondContact CD-OG 3.32Å
54S97.8Very high95.5Very high1 Ų144.6 Ų44.61%0.00726%0.26CS..  trans-133.5139.9174.3178.70000111.2R47 R80 D151 W152R47-S54 PolarHBondContact NH1-OG 2.93Å; S54-R80 PolarHBondContact OG-O 3.46Å; S54-D151 PolarHBondContact N-OD2 3.35Å; S54-D151 PolarHBondContact O-N 2.94Å; S54-W152 PolarHBondContact O-N 3.3Å
55F98.6Very high95.7Very high1 Ų139 Ų390%0.00424%0.24CC..EExtended strand (participates in β ladder)trans-109.2144.4-179.4-57.3-87.1000110.8P53 Y57 N81 R82 W152 V154 L169 I170 F173P53-F55 HydrophobicContact CG-CE2 4.46Å; P53-F55 HydrophobicContact CG-CZ 4.45Å; F55-Y57 HydrophobicContact CB-CD2 3.96Å; F55-Y57 HydrophobicContact CB-CE2 3.43Å; F55-Y57 VanDerWaalsContact CB-CE2 3.43Å; F55-Y57 HydrophobicContact CG-CE2 4.22Å; F55-N81 PolarHBondContact N-OD1 2.76Å; F55-N81 CarbonylContact O-C 3.36Å; F55-N81 VanDerWaalsContact O-CA 3.25Å; F55-N81 WeakPolarHBondContact O-CA 3.46Å; F55-N81 VanDerWaalsContact O-CB 3.26Å; F55-N81 WeakPolarHBondContact O-CB 3.22Å; F55-R82 PolarHBondContact O-N 2.87Å; F55-W152 CarbonylContact C-O 3.56Å; F55-W152 WeakPolarHBondContact CA-O 2.72Å; F55-W152 HydrophobicContact CD1-CB 3.82Å; F55-W152 HydrophobicContact CD1-CE3 4.45Å; F55-W152 HydrophobicContact CE1-CB 4.14Å; F55-W152 HydrophobicContact CE1-CD2 4.36Å; F55-W152 AromaticContact CE1-CE3 3.85Å; F55-W152 HydrophobicContact CE1-CE3 3.85Å; F55-W152 HydrophobicContact CZ-CE3 4.32Å; F55-V154 HydrophobicContact CB-CG2 4.29Å; F55-V154 HydrophobicContact CD1-CG2 3.83Å; F55-V154 HydrophobicContact CG-CG2 4.47Å; F55-L169 HydrophobicContact CD2-CD2 4.18Å; F55-L169 HydrophobicContact CE1-CD2 4.24Å; F55-L169 HydrophobicContact CE2-CD2 3.87Å; F55-L169 HydrophobicContact CE2-CG 4.12Å; F55-L169 HydrophobicContact CZ-CD2 3.89Å; F55-L169 HydrophobicContact CZ-CG 3.91Å; F55-I170 HydrophobicContact CD2-CG1 4.37Å; F55-I170 HydrophobicContact CE2-CG1 3.83Å; F55-F173 HydrophobicContact CE1-CB 4.48Å; F55-F173 AromaticContact CE1-CD1 3.95Å; F55-F173 HydrophobicContact CE1-CD1 3.95Å; F55-F173 HydrophobicContact CE1-CD2 4.17Å; F55-F173 HydrophobicContact CE1-CE1 4.12Å; F55-F173 HydrophobicContact CE1-CE2 4.32Å; F55-F173 AromaticContact CE1-CG 3.96Å; F55-F173 HydrophobicContact CE1-CG 3.96Å; F55-F173 HydrophobicContact CE1-CZ 4.32Å; F55-F173 HydrophobicContact CZ-CB 3.78Å; F55-F173 HydrophobicContact CZ-CD1 4.08Å; F55-F173 AromaticContact CZ-CD2 3.82Å; F55-F173 HydrophobicContact CZ-CD2 3.82Å; F55-F173 HydrophobicContact CZ-CE2 4.38Å; F55-F173 AromaticContact CZ-CG 3.64Å; F55-F173 HydrophobicContact CZ-CG 3.64Å
56A98.7Very high95.8Very high0 Ų038.2 Ų38.20%024%0.237CC..EExtended strand (participates in β ladder)trans-108.7105.3168.400000108.6R82 L143 W150 W152 F153 V154A56-R82 CarbonylContact C-O 3.51Å; A56-R82 WeakPolarHBondContact CA-O 3.48Å; A56-R82 HydrophobicContact CB-CB 4.5Å; A56-L143 HydrophobicContact CB-CB 4.4Å; A56-L143 HydrophobicContact CB-CD1 4.09Å; A56-L143 HydrophobicContact CB-CD2 4.21Å; A56-L143 HydrophobicContact CB-CG 4.46Å; A56-W150 HydrophobicContact CB-CB 4.09Å; A56-W150 HydrophobicContact CB-CD2 3.5Å; A56-W150 HydrophobicContact CB-CE3 3.94Å; A56-W150 HydrophobicContact CB-CG 3.57Å; A56-W150 HydrophobicContact CB-CZ2 4.44Å; A56-W152 PolarHBondContact N-O 2.91Å; A56-F153 CarbonylContact O-C 3.51Å; A56-F153 WeakPolarHBondContact O-CA 3.43Å; A56-V154 PolarHBondContact O-N 3.49Å
57Y98.8Very high95.8Very high0 Ų039.5 Ų39.50%024%0.242CC..EExtended strand (participates in β ladder)trans-91.3129.4-178.6-72.3-86000111.3F55 L59 N81 R82 Y83 L84 V154 L156 Q166 L169 F321F55-Y57 HydrophobicContact CB-CD2 3.96Å; F55-Y57 HydrophobicContact CB-CE2 3.43Å; F55-Y57 VanDerWaalsContact CB-CE2 3.43Å; F55-Y57 HydrophobicContact CG-CE2 4.22Å; Y57-L59 HydrophobicContact CD1-CD2 4.37Å; Y57-N81 HydrophobicContact CD2-CB 4.36Å; Y57-N81 HydrophobicContact CE2-CB 4.34Å; Y57-R82 PolarHBondContact N-O 2.85Å; Y57-Y83 AromaticContact CD2-CD1 3.86Å; Y57-Y83 HydrophobicContact CD2-CD1 3.86Å; Y57-Y83 AromaticContact CD2-CE1 3.38Å; Y57-Y83 HydrophobicContact CD2-CE1 3.38Å; Y57-Y83 AromaticContact CE2-CE1 4Å; Y57-Y83 HydrophobicContact CE2-CE1 4Å; Y57-Y83 HydrophobicContact CG-CD1 4.06Å; Y57-Y83 AromaticContact CG-CE1 3.94Å; Y57-Y83 HydrophobicContact CG-CE1 3.94Å; Y57-L84 PolarHBondContact O-N 3.06Å; Y57-V154 WeakPolarHBondContact CA-O 3.02Å; Y57-V154 HydrophobicContact CD1-CB 3.63Å; Y57-V154 HydrophobicContact CD1-CG1 3.7Å; Y57-V154 HydrophobicContact CD1-CG2 4.37Å; Y57-V154 HydrophobicContact CE1-CB 3.69Å; Y57-V154 HydrophobicContact CE1-CG1 3.52Å; Y57-V154 HydrophobicContact CE1-CG2 4.05Å; Y57-V154 HydrophobicContact CG-CB 4.36Å; Y57-L156 HydrophobicContact CD1-CD1 3.78Å; Y57-L156 HydrophobicContact CD1-CG 4.45Å; Y57-L156 HydrophobicContact CE1-CD1 3.85Å; Y57-Q166 PolarHBondContact OH-NE2 2.92Å; Y57-Q166 VanDerWaalsContact OH-NE2 3.1Å; Y57-Q166 PolarHBondContact OH-OE1 3.36Å; Y57-L169 WeakPolarHBondContact OH-CD2 3.44Å; Y57-F321 HydrophobicContact CE1-CZ 4.31Å
58V98.4Very high95.9Very high6 Ų639.1 Ų39.14%0.03624%0.241CC..EExtended strand (participates in β ladder)trans-98.5120.3158.3176.90000107.6L84 A139 L143 F153 V154 L156V58-L84 WeakPolarHBondContact CA-O 3.48Å; V58-A139 HydrophobicContact CB-CB 4.4Å; V58-A139 HydrophobicContact CG1-CB 3.89Å; V58-A139 HydrophobicContact CG2-CB 3.55Å; V58-L143 HydrophobicContact CG2-CD1 3.48Å; V58-L143 VanDerWaalsContact CG2-CD1 3.48Å; V58-F153 HydrophobicContact CB-CE2 4.39Å; V58-F153 HydrophobicContact CB-CZ 4.31Å; V58-F153 HydrophobicContact CG2-CD2 4.34Å; V58-F153 HydrophobicContact CG2-CE2 3.3Å; V58-F153 HydrophobicContact CG2-CZ 3.56Å; V58-V154 PolarHBondContact N-O 3.34Å; V58-L156 PolarHBondContact O-N 3.11Å
59L98.4Very high96.3Very high0 Ų037.4 Ų37.40%022%0.223CC..EExtended strand (participates in β ladder)trans-110.7103.9177.3-50.7-177.8000108.4Y57 L69 L72 L73 V76 Y83 L84 L85 H86 L156Y57-L59 HydrophobicContact CD1-CD2 4.37Å; L59-L69 HydrophobicContact CB-CD2 3.93Å; L59-L72 HydrophobicContact CD2-CD2 4.12Å; L59-L72 HydrophobicContact CD2-CG 4.34Å; L59-L73 HydrophobicContact CD1-CB 3.81Å; L59-L73 HydrophobicContact CD1-CD1 4.02Å; L59-V76 HydrophobicContact CD1-CG2 4.35Å; L59-V76 HydrophobicContact CD2-CG2 4.35Å; L59-Y83 HydrophobicContact CD1-CD1 4.38Å; L59-L84 PolarHBondContact N-O 2.95Å; L59-L85 HydrophobicContact CB-CG 4.17Å; L59-L85 HydrophobicContact CD1-CD1 4.14Å; L59-L85 HydrophobicContact CD1-CG 4.22Å; L59-L85 WeakPolarHBondContact O-CA 3.47Å; L59-H86 PolarHBondContact O-N 3.42Å; L59-L156 CarbonylContact C-O 3.55Å; L59-L156 WeakPolarHBondContact CA-O 3.37Å; L59-L156 HydrophobicContact CD2-CB 3.85Å; L59-L156 HydrophobicContact CD2-CD1 3.98Å; L59-L156 HydrophobicContact CD2-CG 4.43Å
60S97.2Very high96.7Very high38 Ų3834.4 Ų34.427%0.26619%0.194SC..EExtended strand (participates in β ladder)trans-103.9146.5-174.261.30000113.6L69 H86 L156 N157 A158S60-L69 WeakPolarHBondContact O-CD2 3.38Å; S60-H86 CarbonylContact C-O 3.58Å; S60-H86 VanDerWaalsContact CA-O 3.3Å; S60-H86 WeakPolarHBondContact CA-O 3.49Å; S60-L156 PolarHBondContact N-O 3.19Å; S60-L156 PolarHBondContact OG-O 3.03Å; S60-N157 CarbonylContact O-C 3.56Å; S60-N157 WeakPolarHBondContact O-CA 3.42Å; S60-N157 WeakPolarHBondContact O-CB 3.31Å; S60-A158 PolarHBondContact O-N 3.43Å
61G95.6Very high96.9Very high10 Ų1030.3 Ų30.310%0.10315%0.154CC..EExtended strand (participates in β ladder)trans-157.5166.7174.500000112.1E65 H86 L87 S88G61-E65 WeakPolarHBondContact CA-OE2 3.34Å; G61-H86 PolarHBondContact N-O 2.93Å; G61-L87 CarbonylContact O-C 3.5Å; G61-L87 VanDerWaalsContact O-CA 3.26Å; G61-L87 WeakPolarHBondContact O-CA 3.35Å; G61-S88 PolarHBondContact O-N 2.89Å; G61-S88 PolarHBondContact O-OG 2.91Å
62G93.4Very high97Very high12 Ų1229.9 Ų29.912%0.12415%0.15CC..  trans-107.4-164.1175.100000113.6G64 E65 L87 S88G62-G64 PolarHBondContact O-N 2.88Å; G62-E65 PolarHBondContact N-OE2 2.74Å; G62-E65 WeakPolarHBondContact O-CB 3.39Å; G62-E65 PolarHBondContact O-N 2.88Å; G62-E65 VanDerWaalsContact O-N 3.14Å; G62-L87 WeakPolarHBondContact O-CD2 3.45Å; G62-S88 VanDerWaalsContact CA-OG 3.32Å; G62-S88 WeakPolarHBondContact CA-OG 3.33Å
63R94.1Very high97.1Very high156 Ų15628.7 Ų28.759%0.58914%0.143SC*.THydrogen-bonded Turntrans-53131.6176.6175.5-179.3-71.7-102.91.8112.2E65 D90 A91R63-E65 PolarHBondContact O-N 2.83Å; R63-D90 VanDerWaalsContact CB-OD2 3.3Å; R63-D90 WeakPolarHBondContact CB-OD2 3.21Å; R63-D90 PolarHBondContact N-OD2 3.39Å; R63-D90 PolarHBondContact NE-O 2.92Å; R63-D90 PolarHBondContact NH2-O 3.19Å; R63-A91 HydrophobicContact CB-CB 4.48Å
64G95.6Very high97.1Very high43 Ų4328.8 Ų28.844%0.44314%0.143SC..THydrogen-bonded Turntrans77.62177.800000114.2G62 E95G62-G64 PolarHBondContact O-N 2.88Å; G64-E95 WeakPolarHBondContact CA-OE1 3.43Å; G64-E95 VanDerWaalsContact N-CD 3.33Å; G64-E95 PolarHBondContact N-OE1 3.37Å; G64-E95 PolarHBondContact N-OE2 3.15Å
65E96.7Very high97.1Very high47 Ų4728.7 Ų28.722%0.2214%0.143CC..  trans-97.61.1-175.7-54.7-163.1128.700113.7G61 G62 R63 R67 K68 L69 E95 A158G61-E65 WeakPolarHBondContact CA-OE2 3.34Å; G62-E65 PolarHBondContact N-OE2 2.74Å; G62-E65 WeakPolarHBondContact O-CB 3.39Å; G62-E65 PolarHBondContact O-N 2.88Å; G62-E65 VanDerWaalsContact O-N 3.14Å; R63-E65 PolarHBondContact O-N 2.83Å; E65-R67 VanDerWaalsContact C-N 3.25Å; E65-R67 PolarHBondContact O-N 3.22Å; E65-K68 WeakPolarHBondContact O-CB 3.3Å; E65-K68 PolarHBondContact O-N 2.95Å; E65-K68 WeakPolarHBondContact OE1-CE 3.25Å; E65-K68 IonicContact OE1-NZ 3.79Å; E65-K68 PolarHBondContact OE1-NZ 2.62Å; E65-L69 PolarHBondContact O-N 2.93Å; E65-E95 PolarHBondContact N-OE1 3.12Å; E65-E95 VanDerWaalsContact N-OE1 3.09Å; E65-A158 HydrophobicContact CB-CB 3.75Å; E65-A158 HydrophobicContact CG-CB 4.29Å; E65-A158 WeakPolarHBondContact OE2-CB 3.44Å
66G96.7Very high97Very high7 Ų728.7 Ų28.77%0.07214%0.143CC..Hα-helixtrans-54.6-38.4-178.900000113.7L69 L70 E95 L99G66-L69 PolarHBondContact O-N 2.79Å; G66-L70 PolarHBondContact O-N 3.26Å; G66-E95 PolarHBondContact N-OE1 3.24Å; G66-L99 WeakPolarHBondContact O-CD1 3.06Å
67R96.1Very high97Very high181 Ų18128.7 Ų28.768%0.68314%0.143SC*.Hα-helixtrans-69.2-39176.8-67.8-179-179.5177.41.2112.9E65 L70 R71E65-R67 VanDerWaalsContact C-N 3.25Å; E65-R67 PolarHBondContact O-N 3.22Å; R67-L70 PolarHBondContact O-N 3.28Å; R67-R71 PolarHBondContact O-N 3.36Å
68K96.8Very high96.9Very high38 Ų3828.7 Ų28.717%0.16514%0.143CC..Hα-helixtrans-64.1-44.8175.1-68.5-169.8-63.4177.40110.6E65 L70 R71 L72 A158 E327E65-K68 WeakPolarHBondContact O-CB 3.3Å; E65-K68 PolarHBondContact O-N 2.95Å; E65-K68 WeakPolarHBondContact OE1-CE 3.25Å; E65-K68 IonicContact OE1-NZ 3.79Å; E65-K68 PolarHBondContact OE1-NZ 2.62Å; K68-L70 PolarHBondContact O-N 2.64Å; K68-R71 PolarHBondContact O-N 2.74Å; K68-L72 WeakPolarHBondContact O-CB 3.37Å; K68-L72 PolarHBondContact O-N 2.87Å; K68-A158 HydrophobicContact CB-CB 3.9Å; K68-A158 WeakPolarHBondContact CD-O 3.25Å; K68-E327 HydrophobicContact CD-CB 4Å; K68-E327 HydrophobicContact CD-CG 4.2Å; K68-E327 HydrophobicContact CG-CB 4.23Å; K68-E327 HydrophobicContact CG-CG 3.87Å
69L97.2Very high96.9Very high0 Ų028.6 Ų28.60%014%0.142CC..Hα-helixtrans-59-43.7174.4-80.6-173.8000112.7L59 S60 E65 G66 R71 L72 L73 L87 L99 A158L59-L69 HydrophobicContact CB-CD2 3.93Å; S60-L69 WeakPolarHBondContact O-CD2 3.38Å; E65-L69 PolarHBondContact O-N 2.93Å; G66-L69 PolarHBondContact O-N 2.79Å; L69-R71 VanDerWaalsContact C-N 3.35Å; L69-R71 PolarHBondContact O-N 2.04Å; L69-L72 PolarHBondContact O-N 3.47Å; L69-L73 WeakPolarHBondContact O-CB 3.31Å; L69-L73 PolarHBondContact O-N 3.42Å; L69-L87 HydrophobicContact CD1-CD2 3.56Å; L69-L87 HydrophobicContact CD1-CG 3.91Å; L69-L99 HydrophobicContact CD1-CD2 4.08Å; L69-A158 HydrophobicContact CD2-CB 4.14Å; L69-A158 HydrophobicContact CG-CB 4.21Å
70L97.2Very high96.8Very high32 Ų3228.7 Ų28.717%0.16814%0.142CC..Hα-helixtrans-63.5-41.6176.5-177.464.9000111.9G66 R67 K68 L74 L99 A102 V103 A106G66-L70 PolarHBondContact O-N 3.26Å; R67-L70 PolarHBondContact O-N 3.28Å; K68-L70 PolarHBondContact O-N 2.64Å; L70-L74 HydrophobicContact CG-CD1 4.45Å; L70-L74 WeakPolarHBondContact O-CG 3.05Å; L70-L74 PolarHBondContact O-N 3.09Å; L70-L99 HydrophobicContact CB-CD1 4.29Å; L70-A102 HydrophobicContact CD1-CB 4.46Å; L70-A102 HydrophobicContact CD2-CB 3.76Å; L70-V103 HydrophobicContact CD1-CG2 4.13Å; L70-A106 HydrophobicContact CD1-CB 3.94Å
71R97.2Very high96.8Very high28 Ų2827 Ų2711%0.10613%0.13CC..Hα-helixtrans-61.5-46.8176.1-174-177.1179.4136.39110.9R67 K68 L69 L74 A75 Y161 L332 D333 D336 R342R67-R71 PolarHBondContact O-N 3.36Å; K68-R71 PolarHBondContact O-N 2.74Å; L69-R71 VanDerWaalsContact C-N 3.35Å; L69-R71 PolarHBondContact O-N 2.04Å; R71-L74 PolarHBondContact O-N 3.12Å; R71-A75 PolarHBondContact O-N 3.25Å; R71-Y161 HydrophobicContact CG-CE2 4.07Å; R71-Y161 PolarHBondContact NE-OH 2.65Å; R71-Y161 VanDerWaalsContact NE-OH 3.08Å; R71-L332 VanDerWaalsContact NH2-C 3.31Å; R71-L332 PolarHBondContact NH2-O 3.08Å; R71-D333 IonicContact CZ-OD1 3.3Å; R71-D333 VanDerWaalsContact CZ-OD1 3.3Å; R71-D333 IonicContact NH1-OD1 2.97Å; R71-D333 PolarHBondContact NH1-OD1 2.87Å; R71-D333 IonicContact NH2-OD1 2.69Å; R71-D333 PolarHBondContact NH2-OD1 3.17Å; R71-D336 IonicContact CZ-OD2 3.58Å; R71-D336 IonicContact NE-OD2 3.52Å; R71-D336 IonicContact NH2-OD2 2.71Å; R71-D336 PolarHBondContact NH2-OD2 3.21Å; R71-R342 PolarHBondContact O-NH1 3.03Å
72L98Very high96.9Very high2 Ų228.1 Ų28.11%0.0113%0.132CC..Hα-helixtrans-61.6-50.4178.5176.458.7000111.3L59 K68 L69 L74 A75 V76 L156 N157 Y161L59-L72 HydrophobicContact CD2-CD2 4.12Å; L59-L72 HydrophobicContact CD2-CG 4.34Å; K68-L72 WeakPolarHBondContact O-CB 3.37Å; K68-L72 PolarHBondContact O-N 2.87Å; L69-L72 PolarHBondContact O-N 3.47Å; L72-L74 VanDerWaalsContact C-N 3.25Å; L72-L74 PolarHBondContact O-N 3.36Å; L72-A75 WeakPolarHBondContact O-CA 3.4Å; L72-A75 VanDerWaalsContact O-CB 3.27Å; L72-A75 WeakPolarHBondContact O-CB 3.48Å; L72-A75 PolarHBondContact O-N 3.44Å; L72-V76 HydrophobicContact CD1-CG1 4.1Å; L72-V76 WeakPolarHBondContact O-CG2 3.38Å; L72-V76 PolarHBondContact O-N 3.39Å; L72-L156 HydrophobicContact CD1-CD1 4.41Å; L72-L156 HydrophobicContact CD2-CB 4.07Å; L72-N157 WeakPolarHBondContact CD2-O 3.25Å; L72-Y161 HydrophobicContact CD1-CD2 4.44Å
73L98.3Very high97.2Very high0 Ų027.6 Ų27.60%013%0.126CC..Hα-helixtrans-48.8-50.8176.2169.164.1000110.8L59 L69 A75 V76 Y77 Y83 L85 V103 V116L59-L73 HydrophobicContact CD1-CB 3.81Å; L59-L73 HydrophobicContact CD1-CD1 4.02Å; L69-L73 WeakPolarHBondContact O-CB 3.31Å; L69-L73 PolarHBondContact O-N 3.42Å; L73-A75 VanDerWaalsContact C-N 3.29Å; L73-A75 PolarHBondContact O-N 2.84Å; L73-V76 CarbonylContact O-C 3.53Å; L73-V76 PolarHBondContact O-N 3.47Å; L73-Y77 HydrophobicContact CD1-CD2 4.48Å; L73-Y77 WeakPolarHBondContact O-CA 3.35Å; L73-Y77 VanDerWaalsContact O-CB 3.26Å; L73-Y77 WeakPolarHBondContact O-CB 3.36Å; L73-Y77 PolarHBondContact O-N 2.99Å; L73-Y83 HydrophobicContact CD1-CD1 3.71Å; L73-Y83 HydrophobicContact CD1-CD2 4.4Å; L73-Y83 HydrophobicContact CD1-CE1 4.35Å; L73-Y83 HydrophobicContact CD1-CG 3.76Å; L73-L85 HydrophobicContact CB-CD2 4.46Å; L73-L85 HydrophobicContact CD1-CD1 4.16Å; L73-L85 HydrophobicContact CD2-CD1 4.22Å; L73-L85 HydrophobicContact CD2-CD2 4.15Å; L73-V103 HydrophobicContact CD2-CG1 4.11Å; L73-V103 HydrophobicContact CD2-CG2 3.86Å; L73-V116 HydrophobicContact CD1-CG1 4.02Å; L73-V116 HydrophobicContact CD1-CG2 4.13Å; L73-V116 HydrophobicContact CD2-CG1 3.82Å
74L97.5Very high97.4Very high2 Ų220.5 Ų20.51%0.0110%0.1CC..Hα-helixtrans-68.7-27.7-179.4-67.8171.5000112.8L70 R71 L72 A106 H345 P347 V348L70-L74 HydrophobicContact CG-CD1 4.45Å; L70-L74 WeakPolarHBondContact O-CG 3.05Å; L70-L74 PolarHBondContact O-N 3.09Å; R71-L74 PolarHBondContact O-N 3.12Å; L72-L74 VanDerWaalsContact C-N 3.25Å; L72-L74 PolarHBondContact O-N 3.36Å; L74-A106 HydrophobicContact CD1-CB 4.35Å; L74-A106 HydrophobicContact CD2-CB 3.94Å; L74-A106 HydrophobicContact CG-CB 4.44Å; L74-H345 WeakPolarHBondContact CD1-O 3.31Å; L74-P347 HydrophobicContact CD2-CG 3.93Å; L74-P347 VanDerWaalsContact O-CA 3.3Å; L74-P347 WeakPolarHBondContact O-CA 3.02Å; L74-V348 PolarHBondContact O-N 3.22Å
75A97.8Very high97.5Very high0 Ų018.5 Ų18.50%08%0.079CC..Hα-helixtrans-69.1-34.9173.700000112R71 L72 L73 Y161 P162 L340 R342 V348R71-A75 PolarHBondContact O-N 3.25Å; L72-A75 WeakPolarHBondContact O-CA 3.4Å; L72-A75 VanDerWaalsContact O-CB 3.27Å; L72-A75 WeakPolarHBondContact O-CB 3.48Å; L72-A75 PolarHBondContact O-N 3.44Å; L73-A75 VanDerWaalsContact C-N 3.29Å; L73-A75 PolarHBondContact O-N 2.84Å; A75-Y161 HydrophobicContact CB-CE1 4.41Å; A75-Y161 HydrophobicContact CB-CE2 4.01Å; A75-P162 HydrophobicContact CB-CG 3.58Å; A75-L340 HydrophobicContact CB-CD1 4.37Å; A75-R342 VanDerWaalsContact CA-NH1 3.26Å; A75-V348 WeakPolarHBondContact O-CG2 3.45Å
76V98.2Very high97.5Very high0 Ų016.9 Ų16.90%07%0.071CC..Hα-helixtrans-104.26.5-178-59.40000113.6L59 L72 L73 Y83 L156 P162 Q166 F321L59-V76 HydrophobicContact CD1-CG2 4.35Å; L59-V76 HydrophobicContact CD2-CG2 4.35Å; L72-V76 HydrophobicContact CD1-CG1 4.1Å; L72-V76 WeakPolarHBondContact O-CG2 3.38Å; L72-V76 PolarHBondContact O-N 3.39Å; L73-V76 CarbonylContact O-C 3.53Å; L73-V76 PolarHBondContact O-N 3.47Å; V76-Y83 HydrophobicContact CG2-CD1 4.39Å; V76-Y83 HydrophobicContact CG2-CE1 3.85Å; V76-Y83 WeakPolarHBondContact O-CE1 3.24Å; V76-Y83 PolarHBondContact O-OH 3.29Å; V76-L156 HydrophobicContact CG1-CD1 4.17Å; V76-P162 HydrophobicContact CG1-CB 4.01Å; V76-P162 HydrophobicContact CG1-CG 3.74Å; V76-Q166 WeakPolarHBondContact O-CG 3.48Å; V76-Q166 PolarHBondContact O-NE2 3.2Å; V76-F321 HydrophobicContact CG1-CE1 4.44Å
77Y98Very high97.5Very high1 Ų116.6 Ų16.60%0.0047%0.068CC..  trans-72.4130.6-173.5-178.5-93.1000112.4L73 P79 Y83 A109 V110 N115 V116 P347 W352L73-Y77 HydrophobicContact CD1-CD2 4.48Å; L73-Y77 WeakPolarHBondContact O-CA 3.35Å; L73-Y77 VanDerWaalsContact O-CB 3.26Å; L73-Y77 WeakPolarHBondContact O-CB 3.36Å; L73-Y77 PolarHBondContact O-N 2.99Å; Y77-P79 HydrophobicContact CE1-CG 4.23Å; Y77-Y83 WeakPolarHBondContact CA-OH 3.46Å; Y77-Y83 HydrophobicContact CD2-CD2 4.37Å; Y77-Y83 AromaticContact CD2-CE2 3.97Å; Y77-Y83 HydrophobicContact CD2-CE2 3.97Å; Y77-Y83 HydrophobicContact CE2-CE2 4.32Å; Y77-A109 HydrophobicContact CE1-CB 3.78Å; Y77-A109 PolarHBondContact OH-O 3.21Å; Y77-V110 HydrophobicContact CD2-CG2 3.8Å; Y77-V110 HydrophobicContact CE1-CG2 4.43Å; Y77-V110 HydrophobicContact CE2-CB 4.28Å; Y77-V110 HydrophobicContact CE2-CG2 3.43Å; Y77-V110 VanDerWaalsContact CE2-CG2 3.43Å; Y77-V110 HydrophobicContact CG-CG2 4.44Å; Y77-V110 WeakPolarHBondContact OH-CA 3.22Å; Y77-V110 PolarHBondContact OH-N 3.05Å; Y77-N115 WeakPolarHBondContact CE2-OD1 3.45Å; Y77-N115 PolarHBondContact OH-OD1 3.2Å; Y77-V116 HydrophobicContact CD2-CG2 4.15Å; Y77-V116 HydrophobicContact CE2-CG2 3.85Å; Y77-P347 HydrophobicContact CD1-CB 3.99Å; Y77-P347 HydrophobicContact CD1-CG 4.18Å; Y77-W352 HydrophobicContact CD1-CH2 4.24Å; Y77-W352 HydrophobicContact CD1-CZ2 4.1Å; Y77-W352 AromaticContact CE1-CH2 3.84Å; Y77-W352 HydrophobicContact CE1-CH2 3.84Å; Y77-W352 HydrophobicContact CE1-CZ2 4.07Å
78H97.5Very high97.4Very high0 Ų08.5 Ų8.50%04%0.039CC..  trans-149137.9169.9-168.1-90.5000109.1R80 N81 Y83 N115 Q166 D167 W352H78-R80 WeakPolarHBondContact CE1-CD 3.4Å; H78-R80 WeakPolarHBondContact CE1-CG 3.38Å; H78-R80 WeakPolarHBondContact ND1-CB 3.35Å; H78-R80 VanDerWaalsContact ND1-CG 3.35Å; H78-R80 WeakPolarHBondContact ND1-CG 3.4Å; H78-R80 PolarHBondContact ND1-N 3.09Å; H78-R80 PolarHBondContact O-N 3.4Å; H78-N81 PolarHBondContact O-N 2.92Å; H78-N81 VanDerWaalsContact O-N 3.14Å; H78-Y83 PolarHBondContact N-OH 2.95Å; H78-Y83 PolarHBondContact O-OH 3.1Å; H78-N115 PolarHBondContact O-ND2 2.88Å; H78-Q166 HydrophobicContact CB-CB 3.77Å; H78-Q166 HydrophobicContact CB-CG 3.96Å; H78-D167 IonicContact CD2-OD1 3.01Å; H78-D167 IonicContact NE2-OD1 2.89Å; H78-W352 AromaticContact CD2-CD1 3.39Å; H78-W352 AromaticContact CD2-NE1 3.37Å; H78-W352 PolarHBondContact CD2-NE1 3.43Å; H78-W352 AromaticContact NE2-CD1 3.15Å; H78-W352 AromaticContact NE2-CG 3.98Å; H78-W352 AromaticContact NE2-NE1 3.68Å
79P96.7Very high97.1Very high4 Ų48 Ų83%0.0264%0.042CC..THydrogen-bonded Turntrans-60.5-21.5-175.7-26.835.1000115.9Y77 F113 N115 W352 V370Y77-P79 HydrophobicContact CE1-CG 4.23Å; P79-F113 HydrophobicContact CB-CD1 3.65Å; P79-F113 HydrophobicContact CB-CD2 3.85Å; P79-F113 HydrophobicContact CB-CE1 3.58Å; P79-F113 HydrophobicContact CB-CE2 3.78Å; P79-F113 HydrophobicContact CB-CG 3.78Å; P79-F113 HydrophobicContact CB-CZ 3.66Å; P79-F113 HydrophobicContact CG-CD2 4.25Å; P79-F113 HydrophobicContact CG-CE2 3.99Å; P79-F113 HydrophobicContact CG-CZ 4.16Å; P79-N115 PolarHBondContact O-ND2 3.44Å; P79-W352 VanDerWaalsContact CD-CE2 3.41Å; P79-W352 HydrophobicContact CG-CD2 3.61Å; P79-W352 HydrophobicContact CG-CE3 3.5Å; P79-W352 VanDerWaalsContact CG-CE3 3.5Å; P79-W352 HydrophobicContact CG-CG 4.28Å; P79-W352 HydrophobicContact CG-CH2 3.88Å; P79-W352 HydrophobicContact CG-CZ2 3.99Å; P79-W352 HydrophobicContact CG-CZ3 3.65Å; P79-V370 HydrophobicContact CB-CB 4.22Å; P79-V370 HydrophobicContact CB-CG1 3.67Å; P79-V370 HydrophobicContact CG-CG1 3.88Å
80R96.5Very high96.8Very high1 Ų110 Ų100%0.0045%0.053CC..THydrogen-bonded Turntrans-71.9-31.9178.7-64.217874.262.96.4113.4V45 R46 R47 P52 P53 S54 H78 V370 N371V45-R80 HydrophobicContact CG1-CB 4.15Å; V45-R80 HydrophobicContact CG1-CG 4.11Å; R46-R80 PolarHBondContact O-NH2 3.31Å; R47-R80 PolarHBondContact NH1-O 2.98Å; R47-R80 PolarHBondContact NH2-O 3.24Å; P52-R80 PolarHBondContact O-NH2 2.87Å; P53-R80 PolarHBondContact O-NE 3.28Å; S54-R80 PolarHBondContact OG-O 3.46Å; H78-R80 WeakPolarHBondContact CE1-CD 3.4Å; H78-R80 WeakPolarHBondContact CE1-CG 3.38Å; H78-R80 WeakPolarHBondContact ND1-CB 3.35Å; H78-R80 VanDerWaalsContact ND1-CG 3.35Å; H78-R80 WeakPolarHBondContact ND1-CG 3.4Å; H78-R80 PolarHBondContact ND1-N 3.09Å; H78-R80 PolarHBondContact O-N 3.4Å; R80-V370 WeakPolarHBondContact CD-O 3.28Å; R80-V370 HydrophobicContact CG-CB 4.39Å; R80-V370 WeakPolarHBondContact CG-O 3.4Å; R80-V370 PolarHBondContact NH1-O 3.46Å; R80-N371 PolarHBondContact NH1-OD1 3.39Å
81N98Very high96.6Very high2 Ų28.6 Ų8.61%0.0115%0.046CC..SBendtrans-86.9163.7-168.1-64.8-22.8000110.6F55 Y57 H78 Y83 N115 Q166F55-N81 PolarHBondContact N-OD1 2.76Å; F55-N81 CarbonylContact O-C 3.36Å; F55-N81 VanDerWaalsContact O-CA 3.25Å; F55-N81 WeakPolarHBondContact O-CA 3.46Å; F55-N81 VanDerWaalsContact O-CB 3.26Å; F55-N81 WeakPolarHBondContact O-CB 3.22Å; Y57-N81 HydrophobicContact CD2-CB 4.36Å; Y57-N81 HydrophobicContact CE2-CB 4.34Å; H78-N81 PolarHBondContact O-N 2.92Å; H78-N81 VanDerWaalsContact O-N 3.14Å; N81-Y83 HydrophobicContact CB-CE1 4.44Å; N81-Y83 HydrophobicContact CB-CE2 3.6Å; N81-Y83 VanDerWaalsContact CB-OH 3.25Å; N81-Y83 WeakPolarHBondContact CB-OH 3.3Å; N81-Y83 PolarHBondContact ND2-OH 3.4Å; N81-Y83 VanDerWaalsContact ND2-OH 3.1Å; N81-N115 WeakPolarHBondContact O-CB 3.37Å; N81-N115 PolarHBondContact O-ND2 3.22Å; N81-Q166 PolarHBondContact ND2-OE1 3.27Å
82R98Very high96.4Very high35 Ų359.3 Ų9.313%0.1325%0.054CC..EExtended strand (participates in β ladder)trans-109.7140.6172.2-164.572.1-176.1-177.54.7109.4F55 A56 Y57 G114 D117 L143 D147F55-R82 PolarHBondContact O-N 2.87Å; A56-R82 CarbonylContact C-O 3.51Å; A56-R82 WeakPolarHBondContact CA-O 3.48Å; A56-R82 HydrophobicContact CB-CB 4.5Å; Y57-R82 PolarHBondContact N-O 2.85Å; R82-G114 PolarHBondContact NH1-O 3.5Å; R82-D117 IonicContact CZ-OD2 2.79Å; R82-D117 IonicContact NE-OD2 2.79Å; R82-D117 PolarHBondContact NE-OD2 3.33Å; R82-D117 IonicContact NH2-OD1 3.88Å; R82-D117 IonicContact NH2-OD2 2.66Å; R82-D117 PolarHBondContact NH2-OD2 2.92Å; R82-L143 HydrophobicContact CB-CD2 4.06Å; R82-L143 HydrophobicContact CG-CD2 3.5Å; R82-L143 VanDerWaalsContact CG-CD2 3.5Å; R82-D147 HydrophobicContact CB-CB 4.48Å; R82-D147 HydrophobicContact CG-CB 4.22Å
83Y98.6Very high96.3Very high0 Ų016 Ų160%09%0.086CC..EExtended strand (participates in β ladder)trans-129.3130.7-178.1-56.3-92.2000110.1Y57 L59 L73 V76 Y77 H78 N81 N115 V116 D117Y57-Y83 AromaticContact CD2-CD1 3.86Å; Y57-Y83 HydrophobicContact CD2-CD1 3.86Å; Y57-Y83 AromaticContact CD2-CE1 3.38Å; Y57-Y83 HydrophobicContact CD2-CE1 3.38Å; Y57-Y83 AromaticContact CE2-CE1 4Å; Y57-Y83 HydrophobicContact CE2-CE1 4Å; Y57-Y83 HydrophobicContact CG-CD1 4.06Å; Y57-Y83 AromaticContact CG-CE1 3.94Å; Y57-Y83 HydrophobicContact CG-CE1 3.94Å; L59-Y83 HydrophobicContact CD1-CD1 4.38Å; L73-Y83 HydrophobicContact CD1-CD1 3.71Å; L73-Y83 HydrophobicContact CD1-CD2 4.4Å; L73-Y83 HydrophobicContact CD1-CE1 4.35Å; L73-Y83 HydrophobicContact CD1-CG 3.76Å; V76-Y83 HydrophobicContact CG2-CD1 4.39Å; V76-Y83 HydrophobicContact CG2-CE1 3.85Å; V76-Y83 WeakPolarHBondContact O-CE1 3.24Å; V76-Y83 PolarHBondContact O-OH 3.29Å; Y77-Y83 WeakPolarHBondContact CA-OH 3.46Å; Y77-Y83 HydrophobicContact CD2-CD2 4.37Å; Y77-Y83 AromaticContact CD2-CE2 3.97Å; Y77-Y83 HydrophobicContact CD2-CE2 3.97Å; Y77-Y83 HydrophobicContact CE2-CE2 4.32Å; H78-Y83 PolarHBondContact N-OH 2.95Å; H78-Y83 PolarHBondContact O-OH 3.1Å; N81-Y83 HydrophobicContact CB-CE1 4.44Å; N81-Y83 HydrophobicContact CB-CE2 3.6Å; N81-Y83 VanDerWaalsContact CB-OH 3.25Å; N81-Y83 WeakPolarHBondContact CB-OH 3.3Å; N81-Y83 PolarHBondContact ND2-OH 3.4Å; N81-Y83 VanDerWaalsContact ND2-OH 3.1Å; Y83-N115 WeakPolarHBondContact CD2-O 3.15Å; Y83-N115 PolarHBondContact N-O 3.01Å; Y83-V116 HydrophobicContact CD2-CG2 3.86Å; Y83-V116 HydrophobicContact CG-CG2 4.24Å; Y83-V116 WeakPolarHBondContact O-CA 3.44Å; Y83-D117 PolarHBondContact O-N 2.71Å
84L98.4Very high96.2Very high8 Ų820.1 Ų20.14%0.04211%0.114CC..EExtended strand (participates in β ladder)trans-123.7113.1170.6-176.363.2000109.1Y57 V58 L59 D117 V119 A139 A142 L143Y57-L84 PolarHBondContact O-N 3.06Å; V58-L84 WeakPolarHBondContact CA-O 3.48Å; L59-L84 PolarHBondContact N-O 2.95Å; L84-D117 WeakPolarHBondContact CA-O 3.47Å; L84-D117 HydrophobicContact CD1-CB 3.76Å; L84-V119 HydrophobicContact CD1-CG2 3.7Å; L84-V119 HydrophobicContact CD2-CG2 4.13Å; L84-V119 HydrophobicContact CG-CG2 3.86Å; L84-A139 HydrophobicContact CD2-CB 3.81Å; L84-A142 HydrophobicContact CD2-CB 3.87Å; L84-L143 HydrophobicContact CB-CD1 4.22Å; L84-L143 HydrophobicContact CB-CD2 3.99Å; L84-L143 HydrophobicContact CB-CG 4.09Å; L84-L143 HydrophobicContact CD2-CG 4.29Å
85L98.4Very high96.2Very high0 Ų021.2 Ų21.20%012%0.119CC..EExtended strand (participates in β ladder)trans-91.8133.4177.2-73.271.1000109.6L59 L73 L99 V103 V116 D117 V118 V119L59-L85 HydrophobicContact CB-CG 4.17Å; L59-L85 HydrophobicContact CD1-CD1 4.14Å; L59-L85 HydrophobicContact CD1-CG 4.22Å; L59-L85 WeakPolarHBondContact O-CA 3.47Å; L73-L85 HydrophobicContact CB-CD2 4.46Å; L73-L85 HydrophobicContact CD1-CD1 4.16Å; L73-L85 HydrophobicContact CD2-CD1 4.22Å; L73-L85 HydrophobicContact CD2-CD2 4.15Å; L85-L99 HydrophobicContact CB-CD2 4.42Å; L85-L99 HydrophobicContact CD2-CD1 4.02Å; L85-L99 HydrophobicContact CD2-CD2 4.17Å; L85-L99 HydrophobicContact CD2-CG 4.32Å; L85-V103 HydrophobicContact CD2-CG2 3.81Å; L85-V116 HydrophobicContact CD1-CG1 3.55Å; L85-D117 PolarHBondContact N-O 3.38Å; L85-V118 HydrophobicContact CB-CG2 4.25Å; L85-V118 WeakPolarHBondContact O-CA 3.47Å; L85-V119 WeakPolarHBondContact O-CG2 3.45Å; L85-V119 PolarHBondContact O-N 2.93Å
86H97Very high96.1Very high13 Ų1322.9 Ų22.96%0.0613%0.126CC..EExtended strand (participates in β ladder)trans-130.6118.5178.3174.2-116.8000110.3L59 S60 G61 V119 T123L59-H86 PolarHBondContact O-N 3.42Å; S60-H86 CarbonylContact C-O 3.58Å; S60-H86 VanDerWaalsContact CA-O 3.3Å; S60-H86 WeakPolarHBondContact CA-O 3.49Å; G61-H86 PolarHBondContact N-O 2.93Å; H86-V119 HydrophobicContact CB-CB 4.36Å; H86-V119 HydrophobicContact CB-CG2 3.98Å; H86-T123 PolarHBondContact CE1-OG1 3.38Å; H86-T123 PolarHBondContact NE2-N 2.8Å; H86-T123 PolarHBondContact NE2-OG1 2.88Å
87L95.9Very high96Very high1 Ų127.1 Ų27.11%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-98.2130.4163.7-76.7174.5000108.8G61 G62 L69 A91 E95 R96 L99 P122G61-L87 CarbonylContact O-C 3.5Å; G61-L87 VanDerWaalsContact O-CA 3.26Å; G61-L87 WeakPolarHBondContact O-CA 3.35Å; G62-L87 WeakPolarHBondContact O-CD2 3.45Å; L69-L87 HydrophobicContact CD1-CD2 3.56Å; L69-L87 HydrophobicContact CD1-CG 3.91Å; L87-A91 HydrophobicContact CB-CB 4.24Å; L87-E95 HydrophobicContact CD1-CG 4.01Å; L87-R96 HydrophobicContact CB-CG 3.88Å; L87-R96 HydrophobicContact CD1-CG 4.04Å; L87-L99 HydrophobicContact CD1-CB 4.18Å; L87-L99 HydrophobicContact CD1-CD2 3.57Å; L87-L99 HydrophobicContact CG-CD2 3.75Å; L87-P122 WeakPolarHBondContact O-CB 3.41Å
88S93.3Very high96Very high11 Ų1132.4 Ų32.48%0.07718%0.176CC..  trans-66.4164.9-18046.90000113.1G61 G62 D90 A91 R96 T123G61-S88 PolarHBondContact O-N 2.89Å; G61-S88 PolarHBondContact O-OG 2.91Å; G62-S88 VanDerWaalsContact CA-OG 3.32Å; G62-S88 WeakPolarHBondContact CA-OG 3.33Å; S88-D90 VanDerWaalsContact CB-OD1 3.24Å; S88-D90 WeakPolarHBondContact CB-OD1 3.27Å; S88-D90 PolarHBondContact O-N 3.25Å; S88-D90 PolarHBondContact OG-OD1 3.5Å; S88-A91 WeakPolarHBondContact O-CB 3.36Å; S88-A91 PolarHBondContact O-N 3.38Å; S88-R96 PolarHBondContact O-NH1 3.22Å; S88-T123 WeakPolarHBondContact CA-O 3.23Å
89A92.1Very high96Very high28 Ų2832.6 Ų32.623%0.23118%0.177CC..THydrogen-bonded Turntrans-66.4-15.8-172.700000114.1A91 P122 T123A89-A91 VanDerWaalsContact C-N 3.31Å; A89-P122 HydrophobicContact CB-CB 4.26Å; A89-P122 HydrophobicContact CB-CG 4.1Å; A89-T123 PolarHBondContact N-O 3.4Å
90D90.3Very high96Very high42 Ų4234.1 Ų34.123%0.22519%0.19CC..THydrogen-bonded Turntrans-70.5-24.7172.168.7-46.1000112.4R63 S88R63-D90 VanDerWaalsContact CB-OD2 3.3Å; R63-D90 WeakPolarHBondContact CB-OD2 3.21Å; R63-D90 PolarHBondContact N-OD2 3.39Å; R63-D90 PolarHBondContact NE-O 2.92Å; R63-D90 PolarHBondContact NH2-O 3.19Å; S88-D90 VanDerWaalsContact CB-OD1 3.24Å; S88-D90 WeakPolarHBondContact CB-OD1 3.27Å; S88-D90 PolarHBondContact O-N 3.25Å; S88-D90 PolarHBondContact OG-OD1 3.5Å
91A92.8Very high96Very high2 Ų236.2 Ų36.22%0.01721%0.207CC..SBendtrans-67.8144.2170.900000110.5R63 L87 S88 A89 R96R63-A91 HydrophobicContact CB-CB 4.48Å; L87-A91 HydrophobicContact CB-CB 4.24Å; S88-A91 WeakPolarHBondContact O-CB 3.36Å; S88-A91 PolarHBondContact O-N 3.38Å; A89-A91 VanDerWaalsContact C-N 3.31Å; A91-R96 PolarHBondContact O-NH1 3.42Å; A91-R96 PolarHBondContact O-NH2 2.87Å
92P93.7Very high95.9Very high44 Ų4436.9 Ų36.929%0.28621%0.213SC..  trans-68154.6173.429.1-33.4000111.4S94 E95 R96P92-S94 PolarHBondContact O-N 3.41Å; P92-E95 WeakPolarHBondContact CD-OE2 3.42Å; P92-E95 HydrophobicContact CG-CB 3.8Å; P92-E95 PolarHBondContact O-N 3.35Å; P92-R96 PolarHBondContact O-N 2.88Å
93E94.7Very high95.8Very high143 Ų14335.4 Ų35.467%0.66821%0.208SC*.Hα-helixtrans-60.2-36.4177.3-175.3176175.500112.3E95 R96 V97E93-E95 VanDerWaalsContact C-N 3.3Å; E93-E95 PolarHBondContact O-N 2.86Å; E93-R96 VanDerWaalsContact CA-NH2 3.35Å; E93-R96 WeakPolarHBondContact O-CB 3.44Å; E93-R96 PolarHBondContact O-N 3.17Å; E93-R96 VanDerWaalsContact O-N 3.14Å; E93-V97 HydrophobicContact CG-CG2 4.39Å; E93-V97 WeakPolarHBondContact O-CG2 3.48Å; E93-V97 PolarHBondContact O-N 3.35Å
94S96.8Very high95.5Very high86 Ų8638.5 Ų38.560%0.60123%0.23SC*.Hα-helixtrans-57.2-41.3175.552.50000112.8P92 V97 E98P92-S94 PolarHBondContact O-N 3.41Å; S94-V97 PolarHBondContact O-N 3.48Å; S94-E98 WeakPolarHBondContact O-CB 3.5Å; S94-E98 PolarHBondContact O-N 3.34Å
95E96.9Very high95.2Very high25 Ų2546.7 Ų46.712%0.11726%0.26CS..Hα-helixtrans-66.6-39.2177.5-176.6179.3-178.300111.3G64 E65 G66 L87 P92 E93 E98 L99G64-E95 WeakPolarHBondContact CA-OE1 3.43Å; G64-E95 VanDerWaalsContact N-CD 3.33Å; G64-E95 PolarHBondContact N-OE1 3.37Å; G64-E95 PolarHBondContact N-OE2 3.15Å; E65-E95 PolarHBondContact N-OE1 3.12Å; E65-E95 VanDerWaalsContact N-OE1 3.09Å; G66-E95 PolarHBondContact N-OE1 3.24Å; L87-E95 HydrophobicContact CD1-CG 4.01Å; P92-E95 WeakPolarHBondContact CD-OE2 3.42Å; P92-E95 HydrophobicContact CG-CB 3.8Å; P92-E95 PolarHBondContact O-N 3.35Å; E93-E95 VanDerWaalsContact C-N 3.3Å; E93-E95 PolarHBondContact O-N 2.86Å; E95-E98 PolarHBondContact O-N 2.73Å; E95-L99 WeakPolarHBondContact O-CB 3.46Å; E95-L99 PolarHBondContact O-N 3.29Å
96R96.2Very high94.8Very high35 Ų3547.2 Ų47.213%0.13227%0.265CS..Hα-helixtrans-63.8-43.6175.2-74.2-173-72.6-84.7-6.4112.4L87 S88 A91 P92 E93 L99 A100L87-R96 HydrophobicContact CB-CG 3.88Å; L87-R96 HydrophobicContact CD1-CG 4.04Å; S88-R96 PolarHBondContact O-NH1 3.22Å; A91-R96 PolarHBondContact O-NH1 3.42Å; A91-R96 PolarHBondContact O-NH2 2.87Å; P92-R96 PolarHBondContact O-N 2.88Å; E93-R96 VanDerWaalsContact CA-NH2 3.35Å; E93-R96 WeakPolarHBondContact O-CB 3.44Å; E93-R96 PolarHBondContact O-N 3.17Å; E93-R96 VanDerWaalsContact O-N 3.14Å; R96-L99 PolarHBondContact O-N 3.14Å; R96-A100 PolarHBondContact O-N 2.86Å
97V96.8Very high94.4Very high88 Ų8846.6 Ų46.653%0.53326%0.262SS..Hα-helixtrans-64.9-42.3176.5173.10000110.5E93 S94 L99 A100 A101E93-V97 HydrophobicContact CG-CG2 4.39Å; E93-V97 WeakPolarHBondContact O-CG2 3.48Å; E93-V97 PolarHBondContact O-N 3.35Å; S94-V97 PolarHBondContact O-N 3.48Å; V97-L99 PolarHBondContact O-N 3.13Å; V97-A100 PolarHBondContact O-N 2.75Å; V97-A101 WeakPolarHBondContact O-CB 3.47Å; V97-A101 PolarHBondContact O-N 3.1Å
98E97.3Very high94.2Very high112 Ų11247.5 Ų47.552%0.52327%0.268SS..Hα-helixtrans-60.7-45.1175.4-173.6-178.9174.800111.3S94 E95 A100 A101 A102S94-E98 WeakPolarHBondContact O-CB 3.5Å; S94-E98 PolarHBondContact O-N 3.34Å; E95-E98 PolarHBondContact O-N 2.73Å; E98-A100 PolarHBondContact O-N 2.61Å; E98-A101 PolarHBondContact O-N 3.16Å; E98-A102 VanDerWaalsContact O-CB 3.25Å; E98-A102 WeakPolarHBondContact O-CB 3.44Å; E98-A102 PolarHBondContact O-N 3.33Å
99L97.5Very high94.1Very high5 Ų547 Ų473%0.02626%0.264CS..Hα-helixtrans-58.4-49.1175.8177.461000111.3G66 L69 L70 L85 L87 E95 R96 V97 A101 A102 V103 V118G66-L99 WeakPolarHBondContact O-CD1 3.06Å; L69-L99 HydrophobicContact CD1-CD2 4.08Å; L70-L99 HydrophobicContact CB-CD1 4.29Å; L85-L99 HydrophobicContact CB-CD2 4.42Å; L85-L99 HydrophobicContact CD2-CD1 4.02Å; L85-L99 HydrophobicContact CD2-CD2 4.17Å; L85-L99 HydrophobicContact CD2-CG 4.32Å; L87-L99 HydrophobicContact CD1-CB 4.18Å; L87-L99 HydrophobicContact CD1-CD2 3.57Å; L87-L99 HydrophobicContact CG-CD2 3.75Å; E95-L99 WeakPolarHBondContact O-CB 3.46Å; E95-L99 PolarHBondContact O-N 3.29Å; R96-L99 PolarHBondContact O-N 3.14Å; V97-L99 PolarHBondContact O-N 3.13Å; L99-A101 VanDerWaalsContact C-N 3.34Å; L99-A101 PolarHBondContact O-N 3.35Å; L99-A102 PolarHBondContact O-N 3.13Å; L99-A102 VanDerWaalsContact O-N 3.16Å; L99-V103 HydrophobicContact CD1-CG2 4.09Å; L99-V103 HydrophobicContact CG-CG2 4.44Å; L99-V103 VanDerWaalsContact O-CG2 3.29Å; L99-V103 WeakPolarHBondContact O-CG2 3.4Å; L99-V103 PolarHBondContact O-N 3.13Å; L99-V118 HydrophobicContact CD2-CG1 4.28Å
100A96.8Very high94.2Very high36 Ų3646 Ų4630%0.29826%0.255SS..Hα-helixtrans-60.4-42.3178.600000112.6R96 V97 E98 A102 S104 V118R96-A100 PolarHBondContact O-N 2.86Å; V97-A100 PolarHBondContact O-N 2.75Å; E98-A100 PolarHBondContact O-N 2.61Å; A100-A102 VanDerWaalsContact C-N 3.35Å; A100-S104 PolarHBondContact O-N 2.79Å; A100-S104 VanDerWaalsContact O-N 3.16Å; A100-S104 PolarHBondContact O-OG 2.88Å; A100-V118 HydrophobicContact CB-CB 4.25Å; A100-V118 HydrophobicContact CB-CG1 4.44Å; A100-V118 HydrophobicContact CB-CG2 4.23Å
101A96.6Very high94.2Very high44 Ų4450 Ų5036%0.36427%0.267SS..Hα-helixtrans-67.6-34.6175.700000112.5V97 E98 L99 R105V97-A101 WeakPolarHBondContact O-CB 3.47Å; V97-A101 PolarHBondContact O-N 3.1Å; E98-A101 PolarHBondContact O-N 3.16Å; L99-A101 VanDerWaalsContact C-N 3.34Å; L99-A101 PolarHBondContact O-N 3.35Å; A101-R105 WeakPolarHBondContact O-CG 3.32Å; A101-R105 PolarHBondContact O-N 2.68Å; A101-R105 PolarHBondContact O-NE 2.87Å
102A96.6Very high94.2Very high17 Ų1751.2 Ų51.214%0.1428%0.277CS..Hα-helixtrans-70.8-44.8177.300000111.5L70 E98 L99 A100 S104 R105 A106L70-A102 HydrophobicContact CD1-CB 4.46Å; L70-A102 HydrophobicContact CD2-CB 3.76Å; E98-A102 VanDerWaalsContact O-CB 3.25Å; E98-A102 WeakPolarHBondContact O-CB 3.44Å; E98-A102 PolarHBondContact O-N 3.33Å; L99-A102 PolarHBondContact O-N 3.13Å; L99-A102 VanDerWaalsContact O-N 3.16Å; A100-A102 VanDerWaalsContact C-N 3.35Å; A102-S104 VanDerWaalsContact C-N 3.34Å; A102-S104 PolarHBondContact O-N 3.31Å; A102-R105 CarbonylContact O-C 3.53Å; A102-R105 PolarHBondContact O-N 3.32Å; A102-A106 WeakPolarHBondContact O-CB 3.41Å; A102-A106 PolarHBondContact O-N 3.17Å
103V96.1Very high94.3Very high4 Ų450.6 Ų50.62%0.02427%0.27CS..Hα-helixtrans-55.7-48.4175.1167.80000111.1L70 L73 L85 L99 R105 A106 V110 V116 V118L70-V103 HydrophobicContact CD1-CG2 4.13Å; L73-V103 HydrophobicContact CD2-CG1 4.11Å; L73-V103 HydrophobicContact CD2-CG2 3.86Å; L85-V103 HydrophobicContact CD2-CG2 3.81Å; L99-V103 HydrophobicContact CD1-CG2 4.09Å; L99-V103 HydrophobicContact CG-CG2 4.44Å; L99-V103 VanDerWaalsContact O-CG2 3.29Å; L99-V103 WeakPolarHBondContact O-CG2 3.4Å; L99-V103 PolarHBondContact O-N 3.13Å; V103-R105 PolarHBondContact O-N 3.07Å; V103-R105 VanDerWaalsContact O-N 3.12Å; V103-A106 VanDerWaalsContact O-CB 3.3Å; V103-A106 WeakPolarHBondContact O-CB 3.27Å; V103-A106 PolarHBondContact O-N 3.3Å; V103-V110 HydrophobicContact CG1-CG1 4.04Å; V103-V116 HydrophobicContact CG1-CB 4.08Å; V103-V116 HydrophobicContact CG1-CG1 3.51Å; V103-V118 HydrophobicContact CB-CG2 4.49Å; V103-V118 HydrophobicContact CG2-CG2 4.18Å
104S91.5Very high94.2Very high65 Ų6545.8 Ų45.846%0.45526%0.259SS..Hα-helixtrans-59.7-26.7179.2-59.30000113A100 A102 R111A100-S104 PolarHBondContact O-N 2.79Å; A100-S104 VanDerWaalsContact O-N 3.16Å; A100-S104 PolarHBondContact O-OG 2.88Å; A102-S104 VanDerWaalsContact C-N 3.34Å; A102-S104 PolarHBondContact O-N 3.31Å; S104-R111 WeakPolarHBondContact O-CD 3.4Å; S104-R111 WeakPolarHBondContact O-CG 3.43Å; S104-R111 PolarHBondContact O-NH1 3.26Å
105R91.5Very high94.2Very high179 Ų17942 Ų4268%0.67523%0.232SC*.Hα-helixtrans-98.8-9.3179-66.4-178.5-63.1139.7-0.7113.5A101 A102 V103 A107A101-R105 WeakPolarHBondContact O-CG 3.32Å; A101-R105 PolarHBondContact O-N 2.68Å; A101-R105 PolarHBondContact O-NE 2.87Å; A102-R105 CarbonylContact O-C 3.53Å; A102-R105 PolarHBondContact O-N 3.32Å; V103-R105 PolarHBondContact O-N 3.07Å; V103-R105 VanDerWaalsContact O-N 3.12Å; R105-A107 PolarHBondContact O-N 3.18Å
106A89.9Confident94.3Very high12 Ų1241.8 Ų41.810%0.09923%0.232CC..Hα-helixtrans-64.4-44.8-165.500000112.9L70 L74 A102 V103L70-A106 HydrophobicContact CD1-CB 3.94Å; L74-A106 HydrophobicContact CD1-CB 4.35Å; L74-A106 HydrophobicContact CD2-CB 3.94Å; L74-A106 HydrophobicContact CG-CB 4.44Å; A102-A106 WeakPolarHBondContact O-CB 3.41Å; A102-A106 PolarHBondContact O-N 3.17Å; V103-A106 VanDerWaalsContact O-CB 3.3Å; V103-A106 WeakPolarHBondContact O-CB 3.27Å; V103-A106 PolarHBondContact O-N 3.3Å
107A89.6Confident94.3Very high0 Ų042.4 Ų42.40%024%0.238CC..  trans-150.5148.6175.800000111.7R105 A109 V110 P347R105-A107 PolarHBondContact O-N 3.18Å; A107-A109 VanDerWaalsContact C-N 3.26Å; A107-A109 PolarHBondContact O-N 3.24Å; A107-V110 HydrophobicContact CB-CG2 4.04Å; A107-V110 WeakPolarHBondContact O-CB 3.41Å; A107-V110 PolarHBondContact O-N 3.06Å; A107-P347 HydrophobicContact CB-CG 3.53Å
108P90.6Very high94.4Very high20 Ų2040.1 Ų40.113%0.1322%0.224CC..Hα-helixtrans-58.6-36.8175.3-24.735.1000113.7L39 V110 R111 A112 W367L39-P108 HydrophobicContact CD1-CB 4.11Å; L39-P108 HydrophobicContact CD2-CB 3.61Å; P108-V110 PolarHBondContact O-N 3.34Å; P108-R111 PolarHBondContact O-N 2.93Å; P108-A112 PolarHBondContact O-N 3.09Å; P108-W367 HydrophobicContact CB-CZ3 4.19Å
109A92.6Very high94.3Very high0 Ų035.9 Ų35.90%021%0.205CC..Hα-helixtrans-61.4-41177.100000112.3Y77 A107 R111 A112 F113 W352 W367Y77-A109 HydrophobicContact CE1-CB 3.78Å; Y77-A109 PolarHBondContact OH-O 3.21Å; A107-A109 VanDerWaalsContact C-N 3.26Å; A107-A109 PolarHBondContact O-N 3.24Å; A109-R111 VanDerWaalsContact C-N 3.25Å; A109-R111 PolarHBondContact O-N 3.09Å; A109-A112 PolarHBondContact O-N 3.42Å; A109-A112 VanDerWaalsContact O-N 3.13Å; A109-F113 HydrophobicContact CB-CD2 4.3Å; A109-F113 WeakPolarHBondContact O-CD2 3.39Å; A109-F113 PolarHBondContact O-N 2.79Å; A109-W352 HydrophobicContact CB-CH2 3.71Å; A109-W352 HydrophobicContact CB-CZ3 3.71Å; A109-W367 HydrophobicContact CB-CE3 4.19Å; A109-W367 HydrophobicContact CB-CZ3 4.1Å
110V93.6Very high94Very high7 Ų738.7 Ų38.74%0.04224%0.236CC..Hα-helixtrans-55.8-43.6178.8171.20000110.7Y77 V103 A107 P108 G114 V116Y77-V110 HydrophobicContact CD2-CG2 3.8Å; Y77-V110 HydrophobicContact CE1-CG2 4.43Å; Y77-V110 HydrophobicContact CE2-CB 4.28Å; Y77-V110 HydrophobicContact CE2-CG2 3.43Å; Y77-V110 VanDerWaalsContact CE2-CG2 3.43Å; Y77-V110 HydrophobicContact CG-CG2 4.44Å; Y77-V110 WeakPolarHBondContact OH-CA 3.22Å; Y77-V110 PolarHBondContact OH-N 3.05Å; V103-V110 HydrophobicContact CG1-CG1 4.04Å; A107-V110 HydrophobicContact CB-CG2 4.04Å; A107-V110 WeakPolarHBondContact O-CB 3.41Å; A107-V110 PolarHBondContact O-N 3.06Å; P108-V110 PolarHBondContact O-N 3.34Å; V110-G114 PolarHBondContact O-N 3.02Å; V110-G114 VanDerWaalsContact O-N 3.16Å; V110-V116 HydrophobicContact CG1-CB 4Å; V110-V116 HydrophobicContact CG1-CG2 3.79Å; V110-V116 HydrophobicContact CG2-CG2 4.33Å
111R91Very high93.8Very high127 Ų12746.8 Ų46.848%0.47926%0.259SS..Hα-helixtrans-69.7-43.8177-68.2-165.5-62.1-80.91.9112.7S104 P108 A109S104-R111 WeakPolarHBondContact O-CD 3.4Å; S104-R111 WeakPolarHBondContact O-CG 3.43Å; S104-R111 PolarHBondContact O-NH1 3.26Å; P108-R111 PolarHBondContact O-N 2.93Å; A109-R111 VanDerWaalsContact C-N 3.25Å; A109-R111 PolarHBondContact O-N 3.09Å
112A92.7Very high93.5Very high27 Ų2746.4 Ų46.422%0.22325%0.253CS..Hα-helixtrans-70.2-36.4-173.700000113.2P108 A109 W367P108-A112 PolarHBondContact O-N 3.09Å; A109-A112 PolarHBondContact O-N 3.42Å; A109-A112 VanDerWaalsContact O-N 3.13Å; A112-W367 HydrophobicContact CB-CH2 3.38Å; A112-W367 HydrophobicContact CB-CZ2 3.27Å
113F94.1Very high93.2Very high31 Ų3146.9 Ų46.914%0.13625%0.254CS..Hα-helixtrans-88.2-19.8179.5-74.2-92.1000113.2P42 S43 P79 A109 N115 W367 V370P42-F113 HydrophobicContact CB-CD1 3.78Å; P42-F113 HydrophobicContact CB-CE1 3.86Å; P42-F113 HydrophobicContact CB-CG 4.15Å; P42-F113 HydrophobicContact CB-CZ 4.28Å; S43-F113 WeakPolarHBondContact O-CE1 3.5Å; P79-F113 HydrophobicContact CB-CD1 3.65Å; P79-F113 HydrophobicContact CB-CD2 3.85Å; P79-F113 HydrophobicContact CB-CE1 3.58Å; P79-F113 HydrophobicContact CB-CE2 3.78Å; P79-F113 HydrophobicContact CB-CG 3.78Å; P79-F113 HydrophobicContact CB-CZ 3.66Å; P79-F113 HydrophobicContact CG-CD2 4.25Å; P79-F113 HydrophobicContact CG-CE2 3.99Å; P79-F113 HydrophobicContact CG-CZ 4.16Å; A109-F113 HydrophobicContact CB-CD2 4.3Å; A109-F113 WeakPolarHBondContact O-CD2 3.39Å; A109-F113 PolarHBondContact O-N 2.79Å; F113-N115 HydrophobicContact CB-CB 4.39Å; F113-N115 PolarHBondContact O-N 2.66Å; F113-W367 AromaticContact CE2-CD1 3.86Å; F113-W367 AromaticContact CE2-CD2 3.91Å; F113-W367 HydrophobicContact CE2-CD2 3.91Å; F113-W367 AromaticContact CE2-CE2 3.68Å; F113-W367 HydrophobicContact CE2-CG 4.02Å; F113-W367 HydrophobicContact CE2-CZ2 4.2Å; F113-W367 AromaticContact CE2-NE1 3.65Å; F113-W367 AromaticContact CZ-CD1 3.79Å; F113-W367 HydrophobicContact CZ-CG 4.27Å; F113-W367 AromaticContact CZ-NE1 3.79Å; F113-V370 HydrophobicContact CE1-CG1 3.84Å; F113-V370 HydrophobicContact CE1-CG2 4.39Å; F113-V370 HydrophobicContact CZ-CG1 3.54Å
114G94.4Very high92.8Very high42 Ų4247.2 Ų47.243%0.43326%0.257SS..THydrogen-bonded Turntrans57.433.9176.400000113R82 V110R82-G114 PolarHBondContact NH1-O 3.5Å; V110-G114 PolarHBondContact O-N 3.02Å; V110-G114 VanDerWaalsContact O-N 3.16Å
115N96.5Very high92.3Very high7 Ų745.6 Ų45.64%0.03725%0.25CS..  trans-104.611.7-171.268.2-36.6000113.7Y77 H78 P79 N81 Y83 F113Y77-N115 WeakPolarHBondContact CE2-OD1 3.45Å; Y77-N115 PolarHBondContact OH-OD1 3.2Å; H78-N115 PolarHBondContact O-ND2 2.88Å; P79-N115 PolarHBondContact O-ND2 3.44Å; N81-N115 WeakPolarHBondContact O-CB 3.37Å; N81-N115 PolarHBondContact O-ND2 3.22Å; Y83-N115 WeakPolarHBondContact CD2-O 3.15Å; Y83-N115 PolarHBondContact N-O 3.01Å; F113-N115 HydrophobicContact CB-CB 4.39Å; F113-N115 PolarHBondContact O-N 2.66Å
116V98Very high91.9Very high19 Ų1937.1 Ų37.112%0.11522%0.219CC..EExtended strand (participates in β ladder)trans-127.5122.3178.6-171.70000109.8L73 Y77 Y83 L85 V103 V110L73-V116 HydrophobicContact CD1-CG1 4.02Å; L73-V116 HydrophobicContact CD1-CG2 4.13Å; L73-V116 HydrophobicContact CD2-CG1 3.82Å; Y77-V116 HydrophobicContact CD2-CG2 4.15Å; Y77-V116 HydrophobicContact CE2-CG2 3.85Å; Y83-V116 HydrophobicContact CD2-CG2 3.86Å; Y83-V116 HydrophobicContact CG-CG2 4.24Å; Y83-V116 WeakPolarHBondContact O-CA 3.44Å; L85-V116 HydrophobicContact CD1-CG1 3.55Å; V103-V116 HydrophobicContact CG1-CB 4.08Å; V103-V116 HydrophobicContact CG1-CG1 3.51Å; V110-V116 HydrophobicContact CG1-CB 4Å; V110-V116 HydrophobicContact CG1-CG2 3.79Å; V110-V116 HydrophobicContact CG2-CG2 4.33Å
117D97.4Very high91.5Very high49 Ų4941.3 Ų41.326%0.26225%0.245SC..EExtended strand (participates in β ladder)trans-118152.3175.9-63.6-77000111R82 Y83 L84 L85R82-D117 IonicContact CZ-OD2 2.79Å; R82-D117 IonicContact NE-OD2 2.79Å; R82-D117 PolarHBondContact NE-OD2 3.33Å; R82-D117 IonicContact NH2-OD1 3.88Å; R82-D117 IonicContact NH2-OD2 2.66Å; R82-D117 PolarHBondContact NH2-OD2 2.92Å; Y83-D117 PolarHBondContact O-N 2.71Å; L84-D117 WeakPolarHBondContact CA-O 3.47Å; L84-D117 HydrophobicContact CD1-CB 3.76Å; L85-D117 PolarHBondContact N-O 3.38Å
118V97.3Very high91.4Very high40 Ų4043.3 Ų43.324%0.24226%0.255CS..EExtended strand (participates in β ladder)trans-118.3130.4172.4-1750000108.7L85 L99 A100 V103 G120L85-V118 HydrophobicContact CB-CG2 4.25Å; L85-V118 WeakPolarHBondContact O-CA 3.47Å; L99-V118 HydrophobicContact CD2-CG1 4.28Å; A100-V118 HydrophobicContact CB-CB 4.25Å; A100-V118 HydrophobicContact CB-CG1 4.44Å; A100-V118 HydrophobicContact CB-CG2 4.23Å; V103-V118 HydrophobicContact CB-CG2 4.49Å; V103-V118 HydrophobicContact CG2-CG2 4.18Å; V118-G120 PolarHBondContact O-N 3.22Å; V118-G120 VanDerWaalsContact O-N 3.1Å
119V96Very high91.4Very high22 Ų2242.4 Ų42.413%0.13325%0.249CC..  trans-65.2111.3178.6175.50000109.9L84 L85 H86 R121L84-V119 HydrophobicContact CD1-CG2 3.7Å; L84-V119 HydrophobicContact CD2-CG2 4.13Å; L84-V119 HydrophobicContact CG-CG2 3.86Å; L85-V119 WeakPolarHBondContact O-CG2 3.45Å; L85-V119 PolarHBondContact O-N 2.93Å; H86-V119 HydrophobicContact CB-CB 4.36Å; H86-V119 HydrophobicContact CB-CG2 3.98Å; V119-R121 VanDerWaalsContact CG1-O 3.3Å; V119-R121 WeakPolarHBondContact CG1-O 3.31Å
120G91.8Very high91.5Very high65 Ų6542.8 Ų42.867%0.6725%0.252SS*.SBendtrans-71.9-39.9178.800000114V118 P122V118-G120 PolarHBondContact O-N 3.22Å; V118-G120 VanDerWaalsContact O-N 3.1Å; G120-P122 WeakPolarHBondContact O-CD 3.14Å
121R91.6Very high91.4Very high205 Ų20542.8 Ų42.877%0.77425%0.252SS*.SBendtrans-103.797.8178-69.6-174.1-171.5174.22.8110.4V119 R138V119-R121 VanDerWaalsContact CG1-O 3.3Å; V119-R121 WeakPolarHBondContact CG1-O 3.31Å; R121-R138 PolarHBondContact O-NH1 3.42Å; R121-R138 PolarHBondContact O-NH2 2.81Å; R121-R138 VanDerWaalsContact O-NH2 3.13Å
122P91.2Very high91.5Very high36 Ų3637.1 Ų37.123%0.23423%0.234CC..PPolyproline II helixtrans-70.3153.1-173.234.4-40.7000111.6L87 A89 G120L87-P122 WeakPolarHBondContact O-CB 3.41Å; A89-P122 HydrophobicContact CB-CB 4.26Å; A89-P122 HydrophobicContact CB-CG 4.1Å; G120-P122 WeakPolarHBondContact O-CD 3.14Å
123T89.7Confident91.6Very high27 Ų2735.9 Ų35.917%0.16622%0.223CC..PPolyproline II helixtrans-94.6158.916350.80000110.3H86 S88 A89 A135H86-T123 PolarHBondContact CE1-OG1 3.38Å; H86-T123 PolarHBondContact NE2-N 2.8Å; H86-T123 PolarHBondContact NE2-OG1 2.88Å; S88-T123 WeakPolarHBondContact CA-O 3.23Å; A89-T123 PolarHBondContact N-O 3.4Å; T123-A135 WeakPolarHBondContact OG1-CB 3.39Å
124A87.9Confident91.6Very high12 Ų1236.9 Ų36.910%0.09924%0.237CC..PPolyproline II helixtrans-60.1150.7166.900000110.4S131 G205A124-S131 CarbonylContact O-C 3.54Å; A124-S131 WeakPolarHBondContact O-CB 3.39Å; A124-G205 WeakPolarHBondContact CB-O 3.34Å
125G81.4Confident91.5Very high30 Ų3035.5 Ų35.531%0.30922%0.221SC..  trans-125.154.4179.600000110.7P127G125-P127 VanDerWaalsContact O-CD 3.26Å; G125-P127 WeakPolarHBondContact O-CD 3.18Å
126T83Confident91.5Very high2 Ų236 Ų361%0.01223%0.225CC..  trans-66.7116.5177.6-55.20000108.5M128 G129 S131 D203 N212T126-M128 VanDerWaalsContact C-N 3.27Å; T126-M128 PolarHBondContact O-N 2.82Å; T126-G129 PolarHBondContact O-N 3.04Å; T126-G129 VanDerWaalsContact O-N 3.11Å; T126-S131 VanDerWaalsContact CB-OG 3.31Å; T126-S131 WeakPolarHBondContact CB-OG 3.34Å; T126-S131 PolarHBondContact N-OG 2.74Å; T126-S131 VanDerWaalsContact N-OG 3.09Å; T126-S131 PolarHBondContact OG1-OG 2.91Å; T126-D203 VanDerWaalsContact CB-OD1 3.25Å; T126-D203 WeakPolarHBondContact CB-OD1 3.29Å; T126-D203 WeakPolarHBondContact CB-OD2 3.35Å; T126-D203 PolarHBondContact OG1-OD1 3.14Å; T126-N212 WeakPolarHBondContact CG2-O 3.44Å
127P80.9Confident91.5Very high99 Ų9935.9 Ų35.964%0.64322%0.223SC*.THydrogen-bonded Turntrans-57.4-37.9-173.1-27.935.9000114.1G125 L266G125-P127 VanDerWaalsContact O-CD 3.26Å; G125-P127 WeakPolarHBondContact O-CD 3.18Å; P127-L266 WeakPolarHBondContact O-CD2 3.49Å
128M88Confident91.4Very high42 Ų4239.1 Ų39.121%0.20723%0.232CC..THydrogen-bonded Turntrans-90.9-14.1-178.1-61-64.6-74.200113.5T126 I201 F214 M265 L266 M301T126-M128 VanDerWaalsContact C-N 3.27Å; T126-M128 PolarHBondContact O-N 2.82Å; M128-I201 VanDerWaalsContact O-CD1 3.27Å; M128-I201 WeakPolarHBondContact O-CD1 3.35Å; M128-F214 HydrophobicContact CB-CD1 3.64Å; M128-F214 HydrophobicContact CB-CE1 3.67Å; M128-F214 HydrophobicContact CB-CG 4.32Å; M128-F214 HydrophobicContact CB-CZ 4.34Å; M128-F214 HydrophobicContact CG-CD1 4.05Å; M128-F214 HydrophobicContact CG-CE1 3.6Å; M128-F214 HydrophobicContact CG-CZ 4.29Å; M128-M265 HydrophobicContact CE-CB 4.48Å; M128-M265 HydrophobicContact CE-SD 3.79Å; M128-L266 HydrophobicContact CE-CD1 4.4Å; M128-L266 HydrophobicContact CE-CD2 4.48Å; M128-L266 HydrophobicContact CE-CG 4.15Å; M128-L266 PolarHBondContact O-N 3.03Å; M128-L266 HydrophobicContact SD-CD1 4.41Å; M128-L266 HydrophobicContact SD-CD2 3.62Å; M128-L266 HydrophobicContact SD-CG 3.93Å; M128-M301 HydrophobicContact CE-CE 4.19Å; M128-M301 HydrophobicContact SD-CE 3.81Å
129G91.3Very high91.4Very high2 Ų237.5 Ų37.52%0.02122%0.223CC..SBendtrans-102173.5-166.700000114.4T126 S131 D203T126-G129 PolarHBondContact O-N 3.04Å; T126-G129 VanDerWaalsContact O-N 3.11Å; G129-S131 VanDerWaalsContact C-N 3.33Å; G129-S131 PolarHBondContact O-N 2.8Å; G129-D203 VanDerWaalsContact C-OD2 3.26Å; G129-D203 VanDerWaalsContact CA-OD2 3.32Å; G129-D203 WeakPolarHBondContact CA-OD2 3.45Å
130S93.7Very high91.5Very high8 Ų836.5 Ų36.56%0.05622%0.217CC..Hα-helixtrans-77.9-11.1-177.947.70000114.9G132 L133 A134 D203 I206 T262 P267S130-G132 VanDerWaalsContact C-N 3.27Å; S130-G132 PolarHBondContact O-N 2.79Å; S130-L133 PolarHBondContact O-N 2.97Å; S130-L133 VanDerWaalsContact O-N 3.13Å; S130-A134 WeakPolarHBondContact O-CB 3.34Å; S130-A134 PolarHBondContact O-N 2.79Å; S130-D203 PolarHBondContact N-OD2 2.94Å; S130-D203 VanDerWaalsContact N-OD2 3.1Å; S130-I206 WeakPolarHBondContact OG-CD1 3.25Å; S130-T262 WeakPolarHBondContact CB-O 3.36Å; S130-T262 PolarHBondContact OG-O 2.82Å; S130-P267 VanDerWaalsContact CA-CG 3.47Å
131S92.3Very high91.8Very high6 Ų635 Ų354%0.04220%0.198CC..Hα-helixtrans-60.5-34.6174.357.20000112.8A124 T126 G129 A134 A135 D203A124-S131 CarbonylContact O-C 3.54Å; A124-S131 WeakPolarHBondContact O-CB 3.39Å; T126-S131 VanDerWaalsContact CB-OG 3.31Å; T126-S131 WeakPolarHBondContact CB-OG 3.34Å; T126-S131 PolarHBondContact N-OG 2.74Å; T126-S131 VanDerWaalsContact N-OG 3.09Å; T126-S131 PolarHBondContact OG1-OG 2.91Å; G129-S131 VanDerWaalsContact C-N 3.33Å; G129-S131 PolarHBondContact O-N 2.8Å; S131-A134 PolarHBondContact O-N 3.49Å; S131-A135 WeakPolarHBondContact O-CB 3.36Å; S131-A135 PolarHBondContact O-N 2.75Å; S131-D203 WeakPolarHBondContact CA-OD2 3.3Å; S131-D203 WeakPolarHBondContact CB-OD2 3.13Å; S131-D203 PolarHBondContact N-OD2 2.95Å; S131-D203 PolarHBondContact OG-OD2 3.43Å
132G91.8Very high92.1Very high9 Ų926.8 Ų26.89%0.09317%0.174CC..Hα-helixtrans-63-46.7171.900000112.2S130 A134 A135 T136 Q268S130-G132 VanDerWaalsContact C-N 3.27Å; S130-G132 PolarHBondContact O-N 2.79Å; G132-A134 VanDerWaalsContact C-N 3.34Å; G132-A134 PolarHBondContact O-N 3.09Å; G132-A135 VanDerWaalsContact O-CB 3.31Å; G132-A135 WeakPolarHBondContact O-CB 3.49Å; G132-A135 PolarHBondContact O-N 2.79Å; G132-T136 PolarHBondContact O-N 2.87Å; G132-T136 VanDerWaalsContact O-N 3.08Å; G132-T136 PolarHBondContact O-OG1 2.83Å; G132-Q268 PolarHBondContact O-NE2 2.95Å
133L94.7Very high92.4Very high1 Ų125.1 Ų25.11%0.00516%0.163CC..Hα-helixtrans-61.7-43.8175.5174.261.5000111.3S130 A135 T136 L137 L258 F261 P267 Q268 Y271 F272S130-L133 PolarHBondContact O-N 2.97Å; S130-L133 VanDerWaalsContact O-N 3.13Å; L133-A135 VanDerWaalsContact C-N 3.28Å; L133-A135 PolarHBondContact O-N 2.93Å; L133-T136 PolarHBondContact O-N 2.91Å; L133-L137 HydrophobicContact CD1-CD1 4.04Å; L133-L137 HydrophobicContact CD1-CG 4.12Å; L133-L137 HydrophobicContact CG-CD1 3.97Å; L133-L137 HydrophobicContact CG-CG 4.47Å; L133-L137 WeakPolarHBondContact O-CG 3.4Å; L133-L137 PolarHBondContact O-N 2.92Å; L133-L258 HydrophobicContact CD2-CD1 3.98Å; L133-L258 HydrophobicContact CG-CD1 4.5Å; L133-F261 HydrophobicContact CD2-CB 4.28Å; L133-P267 HydrophobicContact CB-CG 4.29Å; L133-P267 HydrophobicContact CD2-CB 4.01Å; L133-Q268 HydrophobicContact CB-CG 3.91Å; L133-Y271 HydrophobicContact CD1-CD1 3.73Å; L133-Y271 HydrophobicContact CD1-CG 3.96Å; L133-Y271 VanDerWaalsContact CD2-CB 3.5Å; L133-Y271 HydrophobicContact CD2-CD1 4.26Å; L133-Y271 HydrophobicContact CD2-CD2 4.09Å; L133-Y271 HydrophobicContact CD2-CG 3.68Å; L133-Y271 HydrophobicContact CG-CG 4.42Å; L133-F272 HydrophobicContact CD1-CE2 4.05Å; L133-F272 HydrophobicContact CD1-CZ 4.44Å
134A93.8Very high92.8Very high51 Ų5124.4 Ų24.442%0.42116%0.158SC..Hα-helixtrans-60.7-38176.100000112S130 S131 G132 R138S130-A134 WeakPolarHBondContact O-CB 3.34Å; S130-A134 PolarHBondContact O-N 2.79Å; S131-A134 PolarHBondContact O-N 3.49Å; G132-A134 VanDerWaalsContact C-N 3.34Å; G132-A134 PolarHBondContact O-N 3.09Å; A134-R138 WeakPolarHBondContact O-CB 3.46Å; A134-R138 PolarHBondContact O-N 3.39Å
135A93.9Very high93.2Very high13 Ų1334.7 Ų34.711%0.10720%0.195CC..Hα-helixtrans-60-49173.600000111.4T123 S131 G132 L133 R138 A139T123-A135 WeakPolarHBondContact OG1-CB 3.39Å; S131-A135 WeakPolarHBondContact O-CB 3.36Å; S131-A135 PolarHBondContact O-N 2.75Å; G132-A135 VanDerWaalsContact O-CB 3.31Å; G132-A135 WeakPolarHBondContact O-CB 3.49Å; G132-A135 PolarHBondContact O-N 2.79Å; L133-A135 VanDerWaalsContact C-N 3.28Å; L133-A135 PolarHBondContact O-N 2.93Å; A135-R138 PolarHBondContact O-N 3.17Å; A135-A139 VanDerWaalsContact O-CB 3.32Å; A135-A139 WeakPolarHBondContact O-CB 3.43Å; A135-A139 PolarHBondContact O-N 2.65Å
136T96.2Very high93.9Very high19 Ų1936.9 Ų36.912%0.11720%0.199CC..Hα-helixtrans-62.4-46.1178.9-56.10000111.8G132 L133 R138 A139 A140 F153 T155 Q268 F272G132-T136 PolarHBondContact O-N 2.87Å; G132-T136 VanDerWaalsContact O-N 3.08Å; G132-T136 PolarHBondContact O-OG1 2.83Å; L133-T136 PolarHBondContact O-N 2.91Å; T136-R138 PolarHBondContact O-N 2.82Å; T136-A139 WeakPolarHBondContact O-CB 3.35Å; T136-A139 PolarHBondContact O-N 2.92Å; T136-A140 WeakPolarHBondContact O-CB 3.47Å; T136-A140 PolarHBondContact O-N 3.37Å; T136-F153 HydrophobicContact CG2-CE1 3.98Å; T136-F153 HydrophobicContact CG2-CZ 3.92Å; T136-T155 HydrophobicContact CG2-CG2 3.95Å; T136-Q268 PolarHBondContact OG1-NE2 3.04Å; T136-Q268 VanDerWaalsContact OG1-NE2 3.12Å; T136-F272 HydrophobicContact CG2-CE2 3.99Å; T136-F272 HydrophobicContact CG2-CZ 4.14Å
137L96.9Very high94.4Very high15 Ų1537.8 Ų37.88%0.07920%0.203CC..Hα-helixtrans-64.7-40.2178.1-71.6171000112L133 A139 A140 A141 I247 L258 Y271 F272L133-L137 HydrophobicContact CD1-CD1 4.04Å; L133-L137 HydrophobicContact CD1-CG 4.12Å; L133-L137 HydrophobicContact CG-CD1 3.97Å; L133-L137 HydrophobicContact CG-CG 4.47Å; L133-L137 WeakPolarHBondContact O-CG 3.4Å; L133-L137 PolarHBondContact O-N 2.92Å; L137-A139 VanDerWaalsContact C-N 3.34Å; L137-A140 PolarHBondContact O-N 3.04Å; L137-A141 WeakPolarHBondContact O-CB 3.09Å; L137-A141 PolarHBondContact O-N 3.4Å; L137-I247 HydrophobicContact CB-CD1 4.25Å; L137-I247 HydrophobicContact CD2-CD1 3.94Å; L137-I247 WeakPolarHBondContact O-CD1 3.17Å; L137-L258 HydrophobicContact CD1-CD1 3.62Å; L137-L258 HydrophobicContact CD1-CD2 4.18Å; L137-Y271 HydrophobicContact CD1-CE1 4.14Å; L137-Y271 HydrophobicContact CD2-CE1 3.84Å; L137-F272 HydrophobicContact CD2-CE1 3.9Å; L137-F272 HydrophobicContact CD2-CZ 3.79Å; L137-F272 HydrophobicContact CG-CZ 4.42Å
138R96.3Very high94.9Very high118 Ų11837 Ų3745%0.44520%0.201SC..Hα-helixtrans-63.3-41.3174-179.1177.6175.9-159.5-10111.6R121 A134 A135 T136 A141 A142R121-R138 PolarHBondContact O-NH1 3.42Å; R121-R138 PolarHBondContact O-NH2 2.81Å; R121-R138 VanDerWaalsContact O-NH2 3.13Å; A134-R138 WeakPolarHBondContact O-CB 3.46Å; A134-R138 PolarHBondContact O-N 3.39Å; A135-R138 PolarHBondContact O-N 3.17Å; T136-R138 PolarHBondContact O-N 2.82Å; R138-A141 PolarHBondContact O-N 3.07Å; R138-A142 WeakPolarHBondContact O-CB 3.32Å; R138-A142 PolarHBondContact O-N 2.94Å
139A97.3Very high95.1Very high6 Ų639.7 Ų39.75%0.0521%0.213CC..Hα-helixtrans-64.8-42.5177.300000111.4V58 L84 A135 T136 L137 A142 L143V58-A139 HydrophobicContact CB-CB 4.4Å; V58-A139 HydrophobicContact CG1-CB 3.89Å; V58-A139 HydrophobicContact CG2-CB 3.55Å; L84-A139 HydrophobicContact CD2-CB 3.81Å; A135-A139 VanDerWaalsContact O-CB 3.32Å; A135-A139 WeakPolarHBondContact O-CB 3.43Å; A135-A139 PolarHBondContact O-N 2.65Å; T136-A139 WeakPolarHBondContact O-CB 3.35Å; T136-A139 PolarHBondContact O-N 2.92Å; L137-A139 VanDerWaalsContact C-N 3.34Å; A139-A142 PolarHBondContact O-N 2.9Å; A139-L143 WeakPolarHBondContact O-CG 3.12Å; A139-L143 PolarHBondContact O-N 2.87Å
140A98Very high95.4Very high0 Ų039.7 Ų39.70%021%0.212CC..Hα-helixtrans-59.4-47.817300000112.1T136 L137 A142 L143 L144 F153 I243T136-A140 WeakPolarHBondContact O-CB 3.47Å; T136-A140 PolarHBondContact O-N 3.37Å; L137-A140 PolarHBondContact O-N 3.04Å; A140-A142 VanDerWaalsContact C-N 3.32Å; A140-A142 PolarHBondContact O-N 3.23Å; A140-L143 PolarHBondContact O-N 3.42Å; A140-L144 WeakPolarHBondContact O-CG 3.42Å; A140-L144 PolarHBondContact O-N 3.3Å; A140-F153 HydrophobicContact CB-CD2 4.3Å; A140-F153 HydrophobicContact CB-CE2 3.72Å; A140-F153 HydrophobicContact CB-CZ 3.9Å; A140-I243 HydrophobicContact CB-CG2 3.81Å
141A97.8Very high95.6Very high34 Ų3440.5 Ų40.528%0.28122%0.216SC..Hα-helixtrans-60.8-39.6176.200000112.6L137 R138 R145 I247L137-A141 WeakPolarHBondContact O-CB 3.09Å; L137-A141 PolarHBondContact O-N 3.4Å; R138-A141 PolarHBondContact O-N 3.07Å; A141-R145 PolarHBondContact O-N 3.26Å; A141-I247 HydrophobicContact CB-CD1 4.29Å; A141-I247 HydrophobicContact CB-CG1 4.48Å; A141-I247 HydrophobicContact CB-CG2 3.96Å
142A97.6Very high95.9Very high33 Ų3340.2 Ų40.227%0.27321%0.214SC..Hα-helixtrans-64.3-45.4174.900000111.6L84 R138 A139 A140 L144 R145 L146L84-A142 HydrophobicContact CD2-CB 3.87Å; R138-A142 WeakPolarHBondContact O-CB 3.32Å; R138-A142 PolarHBondContact O-N 2.94Å; A139-A142 PolarHBondContact O-N 2.9Å; A140-A142 VanDerWaalsContact C-N 3.32Å; A140-A142 PolarHBondContact O-N 3.23Å; A142-L144 VanDerWaalsContact C-N 3.35Å; A142-L144 PolarHBondContact O-N 3.12Å; A142-R145 WeakPolarHBondContact O-CB 3.32Å; A142-R145 PolarHBondContact O-N 2.94Å; A142-R145 VanDerWaalsContact O-N 3.09Å; A142-L146 WeakPolarHBondContact O-CB 3.39Å; A142-L146 VanDerWaalsContact O-CG 3.24Å; A142-L146 WeakPolarHBondContact O-CG 3.48Å; A142-L146 PolarHBondContact O-N 2.64Å
143L98.4Very high96.3Very high0 Ų039.8 Ų39.80%021%0.209CC..Hα-helixtrans-64.9-36178.3-76163.5000112.8A56 V58 R82 L84 A139 A140 R145 L146 D147 W150 F153A56-L143 HydrophobicContact CB-CB 4.4Å; A56-L143 HydrophobicContact CB-CD1 4.09Å; A56-L143 HydrophobicContact CB-CD2 4.21Å; A56-L143 HydrophobicContact CB-CG 4.46Å; V58-L143 HydrophobicContact CG2-CD1 3.48Å; V58-L143 VanDerWaalsContact CG2-CD1 3.48Å; R82-L143 HydrophobicContact CB-CD2 4.06Å; R82-L143 HydrophobicContact CG-CD2 3.5Å; R82-L143 VanDerWaalsContact CG-CD2 3.5Å; L84-L143 HydrophobicContact CB-CD1 4.22Å; L84-L143 HydrophobicContact CB-CD2 3.99Å; L84-L143 HydrophobicContact CB-CG 4.09Å; L84-L143 HydrophobicContact CD2-CG 4.29Å; A139-L143 WeakPolarHBondContact O-CG 3.12Å; A139-L143 PolarHBondContact O-N 2.87Å; A140-L143 PolarHBondContact O-N 3.42Å; L143-R145 PolarHBondContact O-N 3.12Å; L143-L146 PolarHBondContact O-N 3.34Å; L143-D147 PolarHBondContact O-N 3.12Å; L143-D147 VanDerWaalsContact O-N 3.1Å; L143-D147 VanDerWaalsContact O-O 3.08Å; L143-W150 HydrophobicContact CB-CZ2 4.46Å; L143-W150 PolarHBondContact O-NE1 3.46Å; L143-W150 VanDerWaalsContact O-NE1 3.09Å; L143-F153 HydrophobicContact CD1-CD2 4.01Å; L143-F153 HydrophobicContact CD1-CE2 3.79Å
144L97.9Very high96.4Very high12 Ų1239.8 Ų39.86%0.06321%0.209CC..Hα-helixtrans-61.4-33.6171.9-74.9170000112.5A140 A142 W150 R240 I243 E244 I247 F248A140-L144 WeakPolarHBondContact O-CG 3.42Å; A140-L144 PolarHBondContact O-N 3.3Å; A142-L144 VanDerWaalsContact C-N 3.35Å; A142-L144 PolarHBondContact O-N 3.12Å; L144-W150 HydrophobicContact CD2-CH2 3.93Å; L144-W150 HydrophobicContact CD2-CZ2 3.44Å; L144-W150 VanDerWaalsContact CD2-CZ2 3.44Å; L144-W150 HydrophobicContact CG-CH2 4.48Å; L144-W150 HydrophobicContact CG-CZ2 3.84Å; L144-R240 HydrophobicContact CD2-CG 4.14Å; L144-I243 HydrophobicContact CD1-CG2 3.82Å; L144-I243 HydrophobicContact CD2-CG2 4.35Å; L144-I243 HydrophobicContact CG-CG2 4.11Å; L144-E244 HydrophobicContact CD1-CG 4.39Å; L144-E244 HydrophobicContact CD2-CG 3.61Å; L144-I247 HydrophobicContact CD1-CB 4.05Å; L144-I247 HydrophobicContact CD1-CG1 3.96Å; L144-I247 HydrophobicContact CD1-CG2 4.31Å; L144-F248 HydrophobicContact CB-CE2 4.34Å; L144-F248 HydrophobicContact CD1-CD2 4.29Å; L144-F248 HydrophobicContact CD1-CE2 3.65Å; L144-F248 HydrophobicContact CD1-CZ 4.17Å
145R96.9Very high96.7Very high229 Ų22937.9 Ų37.986%0.86419%0.193SC*.Hα-helixtrans-81.4-35.5178.3-176.6178.7176.4111.80.8113A141 A142 L143A141-R145 PolarHBondContact O-N 3.26Å; A142-R145 WeakPolarHBondContact O-CB 3.32Å; A142-R145 PolarHBondContact O-N 2.94Å; A142-R145 VanDerWaalsContact O-N 3.09Å; L143-R145 PolarHBondContact O-N 3.12Å
146L95.5Very high96.9Very high75 Ų7537.3 Ų37.339%0.39319%0.188SC..Hα-helixtrans-78.6-31.1-176.1-71.3166.2000112.8A142 L143A142-L146 WeakPolarHBondContact O-CB 3.39Å; A142-L146 VanDerWaalsContact O-CG 3.24Å; A142-L146 WeakPolarHBondContact O-CG 3.48Å; A142-L146 PolarHBondContact O-N 2.64Å; L143-L146 PolarHBondContact O-N 3.34Å
147D93Very high96.9Very high21 Ų2137.7 Ų37.711%0.11219%0.189CC..  trans-146.7123.6179.6-176.4-19.4000109.8R47 R82 L143 E149 W150 R240R47-D147 IonicContact CZ-OD2 3.88Å; R47-D147 IonicContact NH2-OD1 3.92Å; R47-D147 IonicContact NH2-OD2 3.45Å; R47-D147 PolarHBondContact NH2-OD2 3.2Å; R82-D147 HydrophobicContact CB-CB 4.48Å; R82-D147 HydrophobicContact CG-CB 4.22Å; L143-D147 PolarHBondContact O-N 3.12Å; L143-D147 VanDerWaalsContact O-N 3.1Å; L143-D147 VanDerWaalsContact O-O 3.08Å; D147-E149 PolarHBondContact OD1-N 2.89Å; D147-W150 PolarHBondContact O-NE1 3.08Å; D147-W150 VanDerWaalsContact O-NE1 3.09Å; D147-R240 PolarHBondContact O-NH1 2.92Å
148S91Very high96.9Very high84 Ų8437.3 Ų37.359%0.58719%0.188SC*.SBendtrans-85.7-6.5-176.349.80000114.5R240S148-R240 VanDerWaalsContact C-CZ 3.49Å; S148-R240 VanDerWaalsContact C-NH1 3.32Å; S148-R240 PolarHBondContact O-NE 3.06Å; S148-R240 PolarHBondContact O-NH1 3.13Å; S148-R240 PolarHBondContact O-NH2 3.05Å
149E93.6Very high96.9Very high98 Ų9831.9 Ų31.946%0.45817%0.168SC..  trans-132.214.6-161.7-60.1-170.293.900115.1R47 D147R47-E149 HydrophobicContact CB-CB 3.88Å; R47-E149 HydrophobicContact CB-CG 4.33Å; R47-E149 VanDerWaalsContact CB-OE1 3.25Å; R47-E149 WeakPolarHBondContact CB-OE1 3.49Å; R47-E149 HydrophobicContact CG-CB 3.6Å; R47-E149 HydrophobicContact CG-CG 4.21Å; R47-E149 WeakPolarHBondContact CG-OE2 3.3Å; D147-E149 PolarHBondContact OD1-N 2.89Å
150W97.1Very high96.9Very high2 Ų231.7 Ų31.71%0.00817%0.166CC..  trans-74.9155.5168.855.8-99000112.2A56 L143 L144 D147 F153 R240 I243A56-W150 HydrophobicContact CB-CB 4.09Å; A56-W150 HydrophobicContact CB-CD2 3.5Å; A56-W150 HydrophobicContact CB-CE3 3.94Å; A56-W150 HydrophobicContact CB-CG 3.57Å; A56-W150 HydrophobicContact CB-CZ2 4.44Å; L143-W150 HydrophobicContact CB-CZ2 4.46Å; L143-W150 PolarHBondContact O-NE1 3.46Å; L143-W150 VanDerWaalsContact O-NE1 3.09Å; L144-W150 HydrophobicContact CD2-CH2 3.93Å; L144-W150 HydrophobicContact CD2-CZ2 3.44Å; L144-W150 VanDerWaalsContact CD2-CZ2 3.44Å; L144-W150 HydrophobicContact CG-CH2 4.48Å; L144-W150 HydrophobicContact CG-CZ2 3.84Å; D147-W150 PolarHBondContact O-NE1 3.08Å; D147-W150 VanDerWaalsContact O-NE1 3.09Å; W150-F153 HydrophobicContact CH2-CB 4.01Å; W150-F153 HydrophobicContact CZ3-CB 3.79Å; W150-R240 HydrophobicContact CD2-CG 4.43Å; W150-R240 HydrophobicContact CE3-CB 3.79Å; W150-R240 HydrophobicContact CE3-CG 4.05Å; W150-R240 HydrophobicContact CH2-CB 4.03Å; W150-R240 HydrophobicContact CH2-CG 3.81Å; W150-R240 HydrophobicContact CZ2-CG 4.22Å; W150-R240 VanDerWaalsContact CZ3-CA 3.42Å; W150-R240 HydrophobicContact CZ3-CB 3.46Å; W150-R240 VanDerWaalsContact CZ3-CB 3.46Å; W150-R240 HydrophobicContact CZ3-CG 3.73Å; W150-R240 WeakPolarHBondContact O-CD 3.04Å; W150-I243 HydrophobicContact CH2-CB 4.03Å; W150-I243 HydrophobicContact CH2-CG1 4.29Å; W150-I243 HydrophobicContact CH2-CG2 3.92Å
151D98.1Very high97Very high25 Ų2532 Ų3213%0.13417%0.168CC..  trans-102-42.8-171.7-59.1-71.1000113P53 S54 R178 R240P53-D151 VanDerWaalsContact CA-OD2 3.23Å; P53-D151 WeakPolarHBondContact CA-OD2 3.31Å; P53-D151 HydrophobicContact CB-CB 4.49Å; S54-D151 PolarHBondContact N-OD2 3.35Å; S54-D151 PolarHBondContact O-N 2.94Å; D151-R178 WeakPolarHBondContact OD1-CD 3.24Å; D151-R178 IonicContact OD1-CZ 3.35Å; D151-R178 IonicContact OD1-NE 3.59Å; D151-R178 IonicContact OD1-NH1 3.67Å; D151-R178 PolarHBondContact OD1-NH1 3.08Å; D151-R178 IonicContact OD2-CZ 3.5Å; D151-R178 IonicContact OD2-NH1 2.82Å; D151-R178 PolarHBondContact OD2-NH1 2.72Å; D151-R240 PolarHBondContact O-N 3.47Å
152W98.6Very high97Very high0 Ų030.4 Ų30.40%015%0.154CC..EExtended strand (participates in β ladder)trans-127.9135.6-178.6-72.4-78.9000112.1P53 S54 F55 A56 F173 V176 R178 L180 I237 L238P53-W152 HydrophobicContact CB-CE3 3.97Å; P53-W152 HydrophobicContact CB-CZ3 3.43Å; P53-W152 VanDerWaalsContact CB-CZ3 3.43Å; P53-W152 HydrophobicContact CG-CZ3 4.02Å; S54-W152 PolarHBondContact O-N 3.3Å; F55-W152 CarbonylContact C-O 3.56Å; F55-W152 WeakPolarHBondContact CA-O 2.72Å; F55-W152 HydrophobicContact CD1-CB 3.82Å; F55-W152 HydrophobicContact CD1-CE3 4.45Å; F55-W152 HydrophobicContact CE1-CB 4.14Å; F55-W152 HydrophobicContact CE1-CD2 4.36Å; F55-W152 AromaticContact CE1-CE3 3.85Å; F55-W152 HydrophobicContact CE1-CE3 3.85Å; F55-W152 HydrophobicContact CZ-CE3 4.32Å; A56-W152 PolarHBondContact N-O 2.91Å; W152-F173 AromaticContact CD2-CD1 3.91Å; W152-F173 HydrophobicContact CD2-CD1 3.91Å; W152-F173 HydrophobicContact CD2-CE1 4.1Å; W152-F173 AromaticContact CE2-CD1 3.91Å; W152-F173 AromaticContact CE3-CD1 3.73Å; W152-F173 HydrophobicContact CE3-CD1 3.73Å; W152-F173 HydrophobicContact CE3-CE1 4.34Å; W152-F173 HydrophobicContact CH2-CB 4.24Å; W152-F173 AromaticContact CH2-CD1 3.62Å; W152-F173 HydrophobicContact CH2-CD1 3.62Å; W152-F173 HydrophobicContact CH2-CG 4.44Å; W152-F173 AromaticContact CZ2-CD1 3.77Å; W152-F173 HydrophobicContact CZ2-CD1 3.77Å; W152-F173 HydrophobicContact CZ2-CE1 4.26Å; W152-F173 HydrophobicContact CZ3-CB 3.92Å; W152-F173 AromaticContact CZ3-CD1 3.58Å; W152-F173 HydrophobicContact CZ3-CD1 3.58Å; W152-F173 HydrophobicContact CZ3-CG 4.21Å; W152-V176 HydrophobicContact CH2-CB 4.32Å; W152-V176 HydrophobicContact CH2-CG1 4.36Å; W152-V176 HydrophobicContact CZ2-CB 4.39Å; W152-V176 HydrophobicContact CZ2-CG1 3.93Å; W152-R178 HydrophobicContact CH2-CB 4.3Å; W152-R178 HydrophobicContact CH2-CG 3.67Å; W152-R178 VanDerWaalsContact CZ2-CA 3.48Å; W152-R178 HydrophobicContact CZ2-CB 4.27Å; W152-R178 HydrophobicContact CZ2-CG 4.14Å; W152-R178 HydrophobicContact CZ3-CG 4.23Å; W152-L180 PolarHBondContact NE1-O 2.9Å; W152-I237 HydrophobicContact CB-CG2 3.84Å; W152-I237 HydrophobicContact CG-CG2 3.97Å; W152-L238 CarbonylContact C-O 3.55Å; W152-L238 WeakPolarHBondContact CA-O 3.5Å
153F98.7Very high97Very high0 Ų029.1 Ų29.10%014%0.143CC..EExtended strand (participates in β ladder)trans-90.1124.1169.4176.2-100000109.4A56 V58 T136 A140 L143 W150 T155 I237 L238 I243A56-F153 CarbonylContact O-C 3.51Å; A56-F153 WeakPolarHBondContact O-CA 3.43Å; V58-F153 HydrophobicContact CB-CE2 4.39Å; V58-F153 HydrophobicContact CB-CZ 4.31Å; V58-F153 HydrophobicContact CG2-CD2 4.34Å; V58-F153 HydrophobicContact CG2-CE2 3.3Å; V58-F153 HydrophobicContact CG2-CZ 3.56Å; T136-F153 HydrophobicContact CG2-CE1 3.98Å; T136-F153 HydrophobicContact CG2-CZ 3.92Å; A140-F153 HydrophobicContact CB-CD2 4.3Å; A140-F153 HydrophobicContact CB-CE2 3.72Å; A140-F153 HydrophobicContact CB-CZ 3.9Å; L143-F153 HydrophobicContact CD1-CD2 4.01Å; L143-F153 HydrophobicContact CD1-CE2 3.79Å; W150-F153 HydrophobicContact CH2-CB 4.01Å; W150-F153 HydrophobicContact CZ3-CB 3.79Å; F153-T155 HydrophobicContact CD1-CG2 4.16Å; F153-T155 HydrophobicContact CE1-CG2 3.38Å; F153-T155 HydrophobicContact CZ-CG2 3.96Å; F153-I237 CarbonylContact O-C 3.58Å; F153-I237 WeakPolarHBondContact O-CA 3.38Å; F153-L238 PolarHBondContact N-O 3.09Å; F153-L238 PolarHBondContact O-N 3.1Å; F153-I243 HydrophobicContact CB-CD1 4.22Å; F153-I243 HydrophobicContact CB-CG1 3.75Å; F153-I243 HydrophobicContact CD1-CD1 3.76Å; F153-I243 HydrophobicContact CD1-CG1 4.26Å; F153-I243 HydrophobicContact CE1-CD1 4.3Å; F153-I243 HydrophobicContact CG-CD1 4.04Å; F153-I243 HydrophobicContact CG-CG1 4.07Å
154V98.8Very high97Very high1 Ų129.3 Ų29.31%0.00614%0.144CC..EExtended strand (participates in β ladder)trans-121.6123.3-175.7-175.70000109.5F55 A56 Y57 V58 L156 I237 F321F55-V154 HydrophobicContact CB-CG2 4.29Å; F55-V154 HydrophobicContact CD1-CG2 3.83Å; F55-V154 HydrophobicContact CG-CG2 4.47Å; A56-V154 PolarHBondContact O-N 3.49Å; Y57-V154 WeakPolarHBondContact CA-O 3.02Å; Y57-V154 HydrophobicContact CD1-CB 3.63Å; Y57-V154 HydrophobicContact CD1-CG1 3.7Å; Y57-V154 HydrophobicContact CD1-CG2 4.37Å; Y57-V154 HydrophobicContact CE1-CB 3.69Å; Y57-V154 HydrophobicContact CE1-CG1 3.52Å; Y57-V154 HydrophobicContact CE1-CG2 4.05Å; Y57-V154 HydrophobicContact CG-CB 4.36Å; V58-V154 PolarHBondContact N-O 3.34Å; V154-L156 HydrophobicContact CG1-CG 4.22Å; V154-I237 HydrophobicContact CG1-CG1 4.23Å; V154-I237 HydrophobicContact CG2-CG1 4.29Å; V154-I237 HydrophobicContact CG2-CG2 4.03Å; V154-F321 HydrophobicContact CG1-CZ 4.47Å
155T98.3Very high97Very high11 Ų1129.5 Ų29.57%0.06715%0.145CC..EExtended strand (participates in β ladder)trans-95.2122.6174.757.70000110.4T136 F153 V236 R291T136-T155 HydrophobicContact CG2-CG2 3.95Å; F153-T155 HydrophobicContact CD1-CG2 4.16Å; F153-T155 HydrophobicContact CE1-CG2 3.38Å; F153-T155 HydrophobicContact CZ-CG2 3.96Å; T155-V236 HydrophobicContact CG2-CG2 4.06Å; T155-V236 PolarHBondContact N-O 3.46Å; T155-V236 PolarHBondContact OG1-N 3.31Å; T155-V236 PolarHBondContact OG1-O 3.29Å; T155-R291 PolarHBondContact O-NH2 3.22Å
156L98.3Very high97.1Very high1 Ų118.8 Ų18.81%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-130.5152.3168.7-62.3168.7000109.3Y57 V58 L59 S60 L72 V76 V154 D160 R291 F321Y57-L156 HydrophobicContact CD1-CD1 3.78Å; Y57-L156 HydrophobicContact CD1-CG 4.45Å; Y57-L156 HydrophobicContact CE1-CD1 3.85Å; V58-L156 PolarHBondContact O-N 3.11Å; L59-L156 CarbonylContact C-O 3.55Å; L59-L156 WeakPolarHBondContact CA-O 3.37Å; L59-L156 HydrophobicContact CD2-CB 3.85Å; L59-L156 HydrophobicContact CD2-CD1 3.98Å; L59-L156 HydrophobicContact CD2-CG 4.43Å; S60-L156 PolarHBondContact N-O 3.19Å; S60-L156 PolarHBondContact OG-O 3.03Å; L72-L156 HydrophobicContact CD1-CD1 4.41Å; L72-L156 HydrophobicContact CD2-CB 4.07Å; V76-L156 HydrophobicContact CG1-CD1 4.17Å; V154-L156 HydrophobicContact CG1-CG 4.22Å; L156-D160 WeakPolarHBondContact CA-OD2 3.2Å; L156-D160 HydrophobicContact CB-CB 4.33Å; L156-D160 HydrophobicContact CD2-CB 3.8Å; L156-R291 VanDerWaalsContact CD2-NH2 3.27Å; L156-F321 HydrophobicContact CD1-CD1 4.3Å; L156-F321 HydrophobicContact CD1-CE1 3.87Å; L156-F321 HydrophobicContact CD1-CZ 4.45Å; L156-F321 HydrophobicContact CD2-CD1 3.84Å; L156-F321 HydrophobicContact CD2-CE1 4.08Å; L156-F321 HydrophobicContact CD2-CG 4.1Å
157N96.3Very high97.2Very high27 Ų2715.4 Ų15.414%0.1449%0.088CC..EExtended strand (participates in β ladder)trans-117.8173.6171.378.510.1000111.8S60 L72 A159 D160 W235 R323S60-N157 CarbonylContact O-C 3.56Å; S60-N157 WeakPolarHBondContact O-CA 3.42Å; S60-N157 WeakPolarHBondContact O-CB 3.31Å; L72-N157 WeakPolarHBondContact CD2-O 3.25Å; N157-A159 PolarHBondContact O-N 3.28Å; N157-A159 WeakPolarHBondContact OD1-CA 3.48Å; N157-A159 WeakPolarHBondContact OD1-CB 3.34Å; N157-A159 PolarHBondContact OD1-N 2.65Å; N157-D160 PolarHBondContact N-OD2 2.94Å; N157-D160 PolarHBondContact O-N 3.33Å; N157-D160 PolarHBondContact OD1-N 2.9Å; N157-D160 PolarHBondContact OD1-OD2 2.64Å; N157-W235 HydrophobicContact CB-CH2 4.43Å; N157-W235 HydrophobicContact CB-CZ3 4.15Å; N157-W235 WeakPolarHBondContact ND2-CH2 3.41Å; N157-R323 PolarHBondContact ND2-NH1 2.89Å
158A97.1Very high97.5Very high7 Ų714.5 Ų14.56%0.0588%0.083CC..THydrogen-bonded Turntrans-62.1-1.8-179.500000115.4S60 E65 K68 L69S60-A158 PolarHBondContact O-N 3.43Å; E65-A158 HydrophobicContact CB-CB 3.75Å; E65-A158 HydrophobicContact CG-CB 4.29Å; E65-A158 WeakPolarHBondContact OE2-CB 3.44Å; K68-A158 HydrophobicContact CB-CB 3.9Å; K68-A158 WeakPolarHBondContact CD-O 3.25Å; L69-A158 HydrophobicContact CD2-CB 4.14Å; L69-A158 HydrophobicContact CG-CB 4.21Å
159A96.9Very high97.8Very high3 Ų310.6 Ų10.63%0.0256%0.055CC..THydrogen-bonded Turntrans-108.1-9.5179.400000113N157 K324 F325N157-A159 PolarHBondContact O-N 3.28Å; N157-A159 WeakPolarHBondContact OD1-CA 3.48Å; N157-A159 WeakPolarHBondContact OD1-CB 3.34Å; N157-A159 PolarHBondContact OD1-N 2.65Å; A159-K324 HydrophobicContact CB-CB 4.5Å; A159-K324 HydrophobicContact CB-CD 3.95Å; A159-K324 HydrophobicContact CB-CG 3.57Å; A159-F325 WeakPolarHBondContact O-CD2 3.5Å; A159-F325 PolarHBondContact O-N 2.59Å; A159-F325 VanDerWaalsContact O-N 3.08Å
160D98Very high98.1Very high3 Ų35.9 Ų5.92%0.0163%0.033CC..EExtended strand (participates in β ladder)trans-87156.6174.3-61.3-64.1000111.5L156 N157 R291 A322 R323L156-D160 WeakPolarHBondContact CA-OD2 3.2Å; L156-D160 HydrophobicContact CB-CB 4.33Å; L156-D160 HydrophobicContact CD2-CB 3.8Å; N157-D160 PolarHBondContact N-OD2 2.94Å; N157-D160 PolarHBondContact O-N 3.33Å; N157-D160 PolarHBondContact OD1-N 2.9Å; N157-D160 PolarHBondContact OD1-OD2 2.64Å; D160-R291 IonicContact OD1-NE 3.33Å; D160-R291 PolarHBondContact OD1-NE 2.91Å; D160-A322 CarbonylContact C-O 3.55Å; D160-A322 WeakPolarHBondContact CA-O 3.48Å; D160-R323 WeakPolarHBondContact OD1-CB 3.42Å; D160-R323 WeakPolarHBondContact OD1-CD 3.18Å; D160-R323 IonicContact OD1-CZ 3.93Å; D160-R323 IonicContact OD1-NE 3.33Å; D160-R323 IonicContact OD1-NH1 3.84Å; D160-R323 PolarHBondContact OD1-NH1 2.75Å; D160-R323 IonicContact OD2-NH1 2.65Å; D160-R323 PolarHBondContact OD2-NH1 3.33Å
161Y98.2Very high98.1Very high6 Ų69 Ų92%0.0245%0.048CC..EExtended strand (participates in β ladder)trans-148.3145.4171.1-145.6-109.6000112.3R71 L72 A75 F321 A322 F325 L332 I335 D336 L340 R342R71-Y161 HydrophobicContact CG-CE2 4.07Å; R71-Y161 PolarHBondContact NE-OH 2.65Å; R71-Y161 VanDerWaalsContact NE-OH 3.08Å; L72-Y161 HydrophobicContact CD1-CD2 4.44Å; A75-Y161 HydrophobicContact CB-CE1 4.41Å; A75-Y161 HydrophobicContact CB-CE2 4.01Å; Y161-F321 CarbonylContact O-C 3.53Å; Y161-F321 WeakPolarHBondContact O-CA 3.38Å; Y161-A322 PolarHBondContact N-O 2.76Å; Y161-A322 PolarHBondContact O-N 2.76Å; Y161-F325 VanDerWaalsContact CB-CE2 3.44Å; Y161-L332 HydrophobicContact CD1-CD2 3.68Å; Y161-L332 HydrophobicContact CD2-CD2 3.66Å; Y161-L332 HydrophobicContact CE1-CD2 4.06Å; Y161-L332 HydrophobicContact CE2-CD2 4.04Å; Y161-L332 HydrophobicContact CG-CD2 3.44Å; Y161-L332 VanDerWaalsContact CG-CD2 3.44Å; Y161-I335 HydrophobicContact CD1-CD1 4.49Å; Y161-I335 HydrophobicContact CD1-CG2 4.01Å; Y161-I335 HydrophobicContact CE1-CG2 4.07Å; Y161-D336 WeakPolarHBondContact CE1-OD1 3.25Å; Y161-D336 PolarHBondContact OH-OD1 3.31Å; Y161-D336 PolarHBondContact OH-OD2 2.68Å; Y161-D336 VanDerWaalsContact OH-OD2 3.09Å; Y161-L340 HydrophobicContact CE1-CD1 3.91Å; Y161-R342 PolarHBondContact OH-NH1 3.33Å
162P98.2Very high98.1Very high1 Ų17.9 Ų7.91%0.0064%0.042CC..EExtended strand (participates in β ladder)trans-74.8144.5177.930.4-35.1000112.7A75 V76 P320 F321 L340A75-P162 HydrophobicContact CB-CG 3.58Å; V76-P162 HydrophobicContact CG1-CB 4.01Å; V76-P162 HydrophobicContact CG1-CG 3.74Å; P162-P320 WeakPolarHBondContact CA-O 3.1Å; P162-F321 HydrophobicContact CB-CD1 4.21Å; P162-F321 HydrophobicContact CB-CE1 4.23Å; P162-L340 HydrophobicContact CG-CD1 3.98Å; P162-L340 HydrophobicContact CG-CD2 4.5Å
163L98.2Very high98.1Very high6 Ų67.9 Ų7.93%0.0314%0.042CC..SBendtrans-1102.1173.3-57-178.1000112.9I314 V319 P320 A322 I335 V339L163-I314 HydrophobicContact CD1-CG2 3.45Å; L163-I314 VanDerWaalsContact CD1-CG2 3.45Å; L163-I314 HydrophobicContact CD2-CG2 3.24Å; L163-I314 HydrophobicContact CG-CG2 3.94Å; L163-V319 WeakPolarHBondContact CB-O 3.37Å; L163-V319 HydrophobicContact CD1-CG2 3.85Å; L163-P320 PolarHBondContact N-O 3.02Å; L163-A322 HydrophobicContact CD1-CB 3.93Å; L163-A322 HydrophobicContact CD2-CB 3.91Å; L163-A322 HydrophobicContact CG-CB 4Å; L163-I335 HydrophobicContact CD2-CD1 4.08Å; L163-V339 WeakPolarHBondContact O-CG1 3.42Å
164V98.2Very high98Very high4 Ų410.8 Ų10.82%0.0246%0.062CC..SBendtrans-135.8153.3177-61.70000109D168 L169 P320 L340 Q378 F382V164-D168 HydrophobicContact CB-CB 3.9Å; V164-L169 HydrophobicContact CG2-CB 4.15Å; V164-L169 HydrophobicContact CG2-CD1 4.12Å; V164-P320 HydrophobicContact CG2-CB 3.7Å; V164-L340 WeakPolarHBondContact O-CD2 3.32Å; V164-Q378 HydrophobicContact CG1-CB 4.03Å; V164-F382 HydrophobicContact CG1-CB 4.09Å; V164-F382 HydrophobicContact CG1-CD1 4.44Å; V164-F382 HydrophobicContact CG1-CG 4.3Å
165T98.2Very high97.9Very high15 Ų1514.7 Ų14.79%0.0929%0.09CC..  trans-72.2163.7171.768.90000110.7D167 D168 L169 L340 V348T165-D167 VanDerWaalsContact C-N 3.27Å; T165-D167 PolarHBondContact O-N 3.16Å; T165-D168 WeakPolarHBondContact CB-OD2 3.38Å; T165-D168 PolarHBondContact N-OD2 2.82Å; T165-D168 WeakPolarHBondContact O-CB 3.25Å; T165-D168 PolarHBondContact O-N 3.3Å; T165-D168 PolarHBondContact OG1-N 2.88Å; T165-D168 VanDerWaalsContact OG1-N 3.13Å; T165-D168 PolarHBondContact OG1-OD1 3.25Å; T165-D168 PolarHBondContact OG1-OD2 3.18Å; T165-L169 PolarHBondContact O-N 2.9Å; T165-L340 HydrophobicContact CG2-CD2 4.37Å; T165-V348 HydrophobicContact CG2-CG1 3.79Å
166Q98.2Very high97.8Very high4 Ų414.6 Ų14.62%0.0199%0.089CC..Hα-helixtrans-64.9-34.1173.9-73.1-65.9-51.400112.2Y57 V76 H78 N81 D168 L169 I170Y57-Q166 PolarHBondContact OH-NE2 2.92Å; Y57-Q166 VanDerWaalsContact OH-NE2 3.1Å; Y57-Q166 PolarHBondContact OH-OE1 3.36Å; V76-Q166 WeakPolarHBondContact O-CG 3.48Å; V76-Q166 PolarHBondContact O-NE2 3.2Å; H78-Q166 HydrophobicContact CB-CB 3.77Å; H78-Q166 HydrophobicContact CB-CG 3.96Å; N81-Q166 PolarHBondContact ND2-OE1 3.27Å; Q166-D168 VanDerWaalsContact C-N 3.33Å; Q166-L169 PolarHBondContact O-N 3.14Å; Q166-I170 VanDerWaalsContact O-CB 3.31Å; Q166-I170 WeakPolarHBondContact O-CB 3.48Å; Q166-I170 VanDerWaalsContact O-CD1 3.3Å; Q166-I170 WeakPolarHBondContact O-CD1 3.4Å; Q166-I170 WeakPolarHBondContact O-CG1 3.38Å; Q166-I170 PolarHBondContact O-N 2.86Å
167D98.2Very high97.7Very high4 Ų417.3 Ų17.32%0.02111%0.106CC..Hα-helixtrans-63.4-39.9173.6-78.535.6000111.2H78 T165 H171 G350 A351 V373 R374H78-D167 IonicContact CD2-OD1 3.01Å; H78-D167 IonicContact NE2-OD1 2.89Å; T165-D167 VanDerWaalsContact C-N 3.27Å; T165-D167 PolarHBondContact O-N 3.16Å; D167-H171 WeakPolarHBondContact O-CB 3.36Å; D167-H171 PolarHBondContact O-N 2.96Å; D167-G350 WeakPolarHBondContact OD1-CA 3.39Å; D167-A351 WeakPolarHBondContact OD2-CB 3.46Å; D167-A351 PolarHBondContact OD2-N 3.06Å; D167-V373 HydrophobicContact CB-CB 4.28Å; D167-R374 WeakPolarHBondContact CB-O 3.08Å; D167-R374 PolarHBondContact OD2-N 3.14Å
168D98.5Very high97.8Very high2 Ų218.8 Ų18.81%0.01111%0.11CC..Hα-helixtrans-62-50.3173.6-61.9-36.1000111.5V164 T165 Q166 I170 H171 V172 P375 G376 A379V164-D168 HydrophobicContact CB-CB 3.9Å; T165-D168 WeakPolarHBondContact CB-OD2 3.38Å; T165-D168 PolarHBondContact N-OD2 2.82Å; T165-D168 WeakPolarHBondContact O-CB 3.25Å; T165-D168 PolarHBondContact O-N 3.3Å; T165-D168 PolarHBondContact OG1-N 2.88Å; T165-D168 VanDerWaalsContact OG1-N 3.13Å; T165-D168 PolarHBondContact OG1-OD1 3.25Å; T165-D168 PolarHBondContact OG1-OD2 3.18Å; Q166-D168 VanDerWaalsContact C-N 3.33Å; D168-I170 PolarHBondContact O-N 2.82Å; D168-H171 PolarHBondContact O-N 2.97Å; D168-V172 WeakPolarHBondContact O-CG2 3.26Å; D168-V172 PolarHBondContact O-N 2.96Å; D168-P375 WeakPolarHBondContact OD1-CA 3.49Å; D168-G376 WeakPolarHBondContact OD1-CA 3.49Å; D168-G376 PolarHBondContact OD1-N 3.23Å; D168-A379 HydrophobicContact CB-CB 3.94Å; D168-A379 WeakPolarHBondContact OD1-CB 3.3Å
169L98.5Very high97.7Very high2 Ų223.7 Ų23.71%0.0113%0.132CC..Hα-helixtrans-59.3-50.1-179.3-169.177.8000110.5F55 Y57 V164 T165 Q166 H171 V172 F173 P320 F321 F382F55-L169 HydrophobicContact CD2-CD2 4.18Å; F55-L169 HydrophobicContact CE1-CD2 4.24Å; F55-L169 HydrophobicContact CE2-CD2 3.87Å; F55-L169 HydrophobicContact CE2-CG 4.12Å; F55-L169 HydrophobicContact CZ-CD2 3.89Å; F55-L169 HydrophobicContact CZ-CG 3.91Å; Y57-L169 WeakPolarHBondContact OH-CD2 3.44Å; V164-L169 HydrophobicContact CG2-CB 4.15Å; V164-L169 HydrophobicContact CG2-CD1 4.12Å; T165-L169 PolarHBondContact O-N 2.9Å; Q166-L169 PolarHBondContact O-N 3.14Å; L169-H171 VanDerWaalsContact C-N 3.33Å; L169-H171 PolarHBondContact O-N 3.4Å; L169-V172 PolarHBondContact O-N 3.16Å; L169-F173 HydrophobicContact CD1-CD2 3.89Å; L169-F173 HydrophobicContact CD1-CE2 3.59Å; L169-F173 HydrophobicContact CG-CD2 3.98Å; L169-F173 HydrophobicContact CG-CE2 4.12Å; L169-F173 WeakPolarHBondContact O-CB 3.46Å; L169-F173 WeakPolarHBondContact O-CD2 3.23Å; L169-F173 PolarHBondContact O-N 3.18Å; L169-P320 HydrophobicContact CD1-CB 3.81Å; L169-F321 HydrophobicContact CD2-CZ 4.45Å; L169-F382 HydrophobicContact CD1-CE1 3.74Å; L169-F382 HydrophobicContact CD1-CZ 4.05Å
170I98.5Very high97.8Very high0 Ų024.4 Ų24.40%014%0.135CC..Hα-helixtrans-62.7-40.9178.6-66.4161.4000110.7P52 P53 F55 Q166 D168 S174 V373P52-I170 HydrophobicContact CB-CG2 3.49Å; P52-I170 VanDerWaalsContact CB-CG2 3.49Å; P53-I170 HydrophobicContact CG-CG2 4.15Å; F55-I170 HydrophobicContact CD2-CG1 4.37Å; F55-I170 HydrophobicContact CE2-CG1 3.83Å; Q166-I170 VanDerWaalsContact O-CB 3.31Å; Q166-I170 WeakPolarHBondContact O-CB 3.48Å; Q166-I170 VanDerWaalsContact O-CD1 3.3Å; Q166-I170 WeakPolarHBondContact O-CD1 3.4Å; Q166-I170 WeakPolarHBondContact O-CG1 3.38Å; Q166-I170 PolarHBondContact O-N 2.86Å; D168-I170 PolarHBondContact O-N 2.82Å; I170-S174 PolarHBondContact O-N 2.8Å; I170-S174 PolarHBondContact O-OG 2.85Å; I170-V373 HydrophobicContact CB-CG1 3.98Å; I170-V373 HydrophobicContact CD1-CG1 4.29Å; I170-V373 HydrophobicContact CG2-CG1 3.57Å
171H98.2Very high97.8Very high68 Ų6824.3 Ų24.332%0.31513%0.134SC..Hα-helixtrans-60.8-51178.417870000111.6D167 D168 L169 S174 V373 P375D167-H171 WeakPolarHBondContact O-CB 3.36Å; D167-H171 PolarHBondContact O-N 2.96Å; D168-H171 PolarHBondContact O-N 2.97Å; L169-H171 VanDerWaalsContact C-N 3.33Å; L169-H171 PolarHBondContact O-N 3.4Å; H171-S174 VanDerWaalsContact O-CB 3.3Å; H171-S174 WeakPolarHBondContact O-CB 3.47Å; H171-S174 PolarHBondContact O-N 2.9Å; H171-V373 HydrophobicContact CB-CG2 4.32Å; H171-P375 HydrophobicContact CB-CB 4.01Å; H171-P375 HydrophobicContact CB-CG 4.4Å
172V98.5Very high97.7Very high1 Ų124 Ų241%0.00613%0.133CC..Hα-helixtrans-67.7-44.4-179.2175.60000111.4D168 L169 S174 S175 A379 F382 R383 M386D168-V172 WeakPolarHBondContact O-CG2 3.26Å; D168-V172 PolarHBondContact O-N 2.96Å; L169-V172 PolarHBondContact O-N 3.16Å; V172-S174 PolarHBondContact O-N 2.85Å; V172-S174 VanDerWaalsContact O-N 3.14Å; V172-S175 PolarHBondContact O-N 3.27Å; V172-S175 VanDerWaalsContact O-N 3.16Å; V172-S175 PolarHBondContact O-OG 2.66Å; V172-A379 HydrophobicContact CG2-CB 4.28Å; V172-A379 WeakPolarHBondContact CG2-O 3.26Å; V172-F382 HydrophobicContact CB-CD1 3.6Å; V172-F382 HydrophobicContact CB-CE1 3.62Å; V172-F382 HydrophobicContact CG1-CD1 3.76Å; V172-F382 HydrophobicContact CG1-CE1 3.65Å; V172-F382 HydrophobicContact CG1-CG 4.36Å; V172-F382 HydrophobicContact CG1-CZ 4.17Å; V172-F382 HydrophobicContact CG2-CB 4.44Å; V172-F382 HydrophobicContact CG2-CD1 3.58Å; V172-F382 HydrophobicContact CG2-CE1 4.15Å; V172-F382 HydrophobicContact CG2-CG 4.3Å; V172-R383 HydrophobicContact CG1-CB 4.39Å; V172-R383 HydrophobicContact CG2-CB 4.05Å; V172-M386 HydrophobicContact CG1-CB 3.93Å; V172-M386 HydrophobicContact CG1-CG 4Å
173F98.2Very high97.7Very high0 Ų024 Ų240%013%0.133CC..Hα-helixtrans-66.9-13.7176.7-87.1-98.4000113.5P53 F55 W152 L169 S175 V176 F182 I237 F382 M386P53-F173 HydrophobicContact CG-CB 3.81Å; F55-F173 HydrophobicContact CE1-CB 4.48Å; F55-F173 AromaticContact CE1-CD1 3.95Å; F55-F173 HydrophobicContact CE1-CD1 3.95Å; F55-F173 HydrophobicContact CE1-CD2 4.17Å; F55-F173 HydrophobicContact CE1-CE1 4.12Å; F55-F173 HydrophobicContact CE1-CE2 4.32Å; F55-F173 AromaticContact CE1-CG 3.96Å; F55-F173 HydrophobicContact CE1-CG 3.96Å; F55-F173 HydrophobicContact CE1-CZ 4.32Å; F55-F173 HydrophobicContact CZ-CB 3.78Å; F55-F173 HydrophobicContact CZ-CD1 4.08Å; F55-F173 AromaticContact CZ-CD2 3.82Å; F55-F173 HydrophobicContact CZ-CD2 3.82Å; F55-F173 HydrophobicContact CZ-CE2 4.38Å; F55-F173 AromaticContact CZ-CG 3.64Å; F55-F173 HydrophobicContact CZ-CG 3.64Å; W152-F173 AromaticContact CD2-CD1 3.91Å; W152-F173 HydrophobicContact CD2-CD1 3.91Å; W152-F173 HydrophobicContact CD2-CE1 4.1Å; W152-F173 AromaticContact CE2-CD1 3.91Å; W152-F173 AromaticContact CE3-CD1 3.73Å; W152-F173 HydrophobicContact CE3-CD1 3.73Å; W152-F173 HydrophobicContact CE3-CE1 4.34Å; W152-F173 HydrophobicContact CH2-CB 4.24Å; W152-F173 AromaticContact CH2-CD1 3.62Å; W152-F173 HydrophobicContact CH2-CD1 3.62Å; W152-F173 HydrophobicContact CH2-CG 4.44Å; W152-F173 AromaticContact CZ2-CD1 3.77Å; W152-F173 HydrophobicContact CZ2-CD1 3.77Å; W152-F173 HydrophobicContact CZ2-CE1 4.26Å; W152-F173 HydrophobicContact CZ3-CB 3.92Å; W152-F173 AromaticContact CZ3-CD1 3.58Å; W152-F173 HydrophobicContact CZ3-CD1 3.58Å; W152-F173 HydrophobicContact CZ3-CG 4.21Å; L169-F173 HydrophobicContact CD1-CD2 3.89Å; L169-F173 HydrophobicContact CD1-CE2 3.59Å; L169-F173 HydrophobicContact CG-CD2 3.98Å; L169-F173 HydrophobicContact CG-CE2 4.12Å; L169-F173 WeakPolarHBondContact O-CB 3.46Å; L169-F173 WeakPolarHBondContact O-CD2 3.23Å; L169-F173 PolarHBondContact O-N 3.18Å; F173-S175 PolarHBondContact O-N 3.4Å; F173-V176 HydrophobicContact CD1-CB 4.3Å; F173-V176 HydrophobicContact CD1-CG1 4.38Å; F173-V176 HydrophobicContact CD1-CG2 4.45Å; F173-V176 PolarHBondContact O-N 2.9Å; F173-F182 HydrophobicContact CD1-CE2 4.5Å; F173-F182 HydrophobicContact CE1-CD2 4.15Å; F173-F182 AromaticContact CE1-CE2 3.53Å; F173-F182 HydrophobicContact CE1-CE2 3.53Å; F173-F182 HydrophobicContact CE1-CZ 4.13Å; F173-F182 HydrophobicContact CZ-CD2 4.36Å; F173-F182 HydrophobicContact CZ-CE2 4.01Å; F173-F182 HydrophobicContact CZ-CZ 4.42Å; F173-I237 HydrophobicContact CE1-CG2 4.3Å; F173-I237 HydrophobicContact CZ-CD1 4.1Å; F173-I237 HydrophobicContact CZ-CG2 4.33Å; F173-F382 HydrophobicContact CD2-CE1 4.08Å; F173-F382 HydrophobicContact CD2-CZ 4.14Å; F173-F382 HydrophobicContact CE2-CE1 4.05Å; F173-F382 AromaticContact CE2-CZ 3.68Å; F173-F382 HydrophobicContact CE2-CZ 3.68Å; F173-M386 HydrophobicContact CD2-CE 4.33Å; F173-M386 HydrophobicContact CE1-CE 4.46Å; F173-M386 HydrophobicContact CE2-CE 3.83Å; F173-M386 HydrophobicContact CZ-CE 3.89Å
174S97.5Very high97.5Very high61 Ų6126.5 Ų26.543%0.42715%0.147SC..THydrogen-bonded Turntrans-66.3-23.9173.6-63.20000112.8P53 I170 H171 V172P53-S174 WeakPolarHBondContact CD-OG 3.32Å; I170-S174 PolarHBondContact O-N 2.8Å; I170-S174 PolarHBondContact O-OG 2.85Å; H171-S174 VanDerWaalsContact O-CB 3.3Å; H171-S174 WeakPolarHBondContact O-CB 3.47Å; H171-S174 PolarHBondContact O-N 2.9Å; V172-S174 PolarHBondContact O-N 2.85Å; V172-S174 VanDerWaalsContact O-N 3.14Å
175S96.2Very high97.4Very high83 Ų8326.6 Ų26.658%0.5815%0.147SC*.THydrogen-bonded Turntrans-96.7-3.7173.455.60000113.9V172 F173V172-S175 PolarHBondContact O-N 3.27Å; V172-S175 VanDerWaalsContact O-N 3.16Å; V172-S175 PolarHBondContact O-OG 2.66Å; F173-S175 PolarHBondContact O-N 3.4Å
176V96.8Very high97.2Very high8 Ų828.5 Ų28.55%0.04816%0.158CC..SBendtrans-85.5131.7179.91750000109.8W152 F173 R178 L180 F182 M386 I390W152-V176 HydrophobicContact CH2-CB 4.32Å; W152-V176 HydrophobicContact CH2-CG1 4.36Å; W152-V176 HydrophobicContact CZ2-CB 4.39Å; W152-V176 HydrophobicContact CZ2-CG1 3.93Å; F173-V176 HydrophobicContact CD1-CB 4.3Å; F173-V176 HydrophobicContact CD1-CG1 4.38Å; F173-V176 HydrophobicContact CD1-CG2 4.45Å; F173-V176 PolarHBondContact O-N 2.9Å; V176-R178 PolarHBondContact O-N 3.05Å; V176-L180 HydrophobicContact CG1-CD1 4.23Å; V176-F182 HydrophobicContact CG1-CE2 4.09Å; V176-F182 HydrophobicContact CG1-CZ 3.73Å; V176-M386 HydrophobicContact CG2-CE 4.13Å; V176-M386 HydrophobicContact CG2-CG 3.73Å; V176-M386 HydrophobicContact CG2-SD 3.78Å; V176-I390 HydrophobicContact CG1-CD1 4.35Å; V176-I390 HydrophobicContact CG2-CD1 4.25Å
177P96.2Very high96.9Very high58 Ų5829.8 Ų29.838%0.37717%0.168SC..  trans-59.1122.3173-21.831000111.9H179 L180P177-H179 WeakPolarHBondContact CB-CE1 3.48Å; P177-H179 PolarHBondContact O-N 2.85Å; P177-L180 HydrophobicContact CB-CD1 4.18Å; P177-L180 HydrophobicContact CB-CG 4.16Å; P177-L180 HydrophobicContact CG-CD1 4.08Å; P177-L180 WeakPolarHBondContact O-CB 3.43Å; P177-L180 WeakPolarHBondContact O-CG 3.33Å; P177-L180 PolarHBondContact O-N 2.95Å
178R97.1Very high96.6Very high59 Ų5935.7 Ų35.722%0.22320%0.199CC..THydrogen-bonded Turntrans-63.4-12.6-173.7-66.6-175.3-173.5-140.6-6.7116G48 A51 D151 W152 V176 L180 N239G48-R178 PolarHBondContact O-NH1 3.36Å; A51-R178 PolarHBondContact O-NH2 2.89Å; D151-R178 WeakPolarHBondContact OD1-CD 3.24Å; D151-R178 IonicContact OD1-CZ 3.35Å; D151-R178 IonicContact OD1-NE 3.59Å; D151-R178 IonicContact OD1-NH1 3.67Å; D151-R178 PolarHBondContact OD1-NH1 3.08Å; D151-R178 IonicContact OD2-CZ 3.5Å; D151-R178 IonicContact OD2-NH1 2.82Å; D151-R178 PolarHBondContact OD2-NH1 2.72Å; W152-R178 HydrophobicContact CH2-CB 4.3Å; W152-R178 HydrophobicContact CH2-CG 3.67Å; W152-R178 VanDerWaalsContact CZ2-CA 3.48Å; W152-R178 HydrophobicContact CZ2-CB 4.27Å; W152-R178 HydrophobicContact CZ2-CG 4.14Å; W152-R178 HydrophobicContact CZ3-CG 4.23Å; V176-R178 PolarHBondContact O-N 3.05Å; R178-L180 VanDerWaalsContact C-N 3.31Å; R178-N239 VanDerWaalsContact O-CB 3.29Å; R178-N239 WeakPolarHBondContact O-CB 3.42Å
179H96.4Very high96.2Very high110 Ų11036.6 Ų36.651%0.50920%0.204SC..THydrogen-bonded Turntrans-84-6.8176.565.5-90.1000112.6P177 N239 S284P177-H179 WeakPolarHBondContact CB-CE1 3.48Å; P177-H179 PolarHBondContact O-N 2.85Å; H179-N239 PolarHBondContact O-ND2 2.79Å; H179-S284 VanDerWaalsContact O-CB 3.3Å; H179-S284 WeakPolarHBondContact O-CB 3.41Å
180L97.3Very high95.9Very high18 Ų1838.5 Ų38.59%0.09422%0.224CC..  trans-78.4142.6-178.4-63.1178.6000112.7W152 V176 P177 R178 F182 S284 V286 I390W152-L180 PolarHBondContact NE1-O 2.9Å; V176-L180 HydrophobicContact CG1-CD1 4.23Å; P177-L180 HydrophobicContact CB-CD1 4.18Å; P177-L180 HydrophobicContact CB-CG 4.16Å; P177-L180 HydrophobicContact CG-CD1 4.08Å; P177-L180 WeakPolarHBondContact O-CB 3.43Å; P177-L180 WeakPolarHBondContact O-CG 3.33Å; P177-L180 PolarHBondContact O-N 2.95Å; R178-L180 VanDerWaalsContact C-N 3.31Å; L180-F182 HydrophobicContact CB-CE2 4.5Å; L180-S284 CarbonylContact C-O 3.45Å; L180-S284 VanDerWaalsContact CA-O 3.31Å; L180-S284 WeakPolarHBondContact CA-O 3.38Å; L180-V286 HydrophobicContact CB-CG2 4.22Å; L180-V286 HydrophobicContact CD1-CG2 3.99Å; L180-V286 HydrophobicContact CD2-CG2 4.31Å; L180-V286 HydrophobicContact CG-CG2 4.4Å; L180-I390 HydrophobicContact CD1-CD1 4.2Å; L180-I390 HydrophobicContact CD1-CG1 4.33Å
181N97.9Very high95.5Very high0 Ų045.1 Ų45.10%025%0.249CC..EExtended strand (participates in β ladder)trans-112.4122.4173.1-64.9-70.5000109I183 I237 L238 N239 S284 T285 V286N181-I183 HydrophobicContact CB-CG2 4.29Å; N181-I183 PolarHBondContact O-N 3.38Å; N181-I237 CarbonylContact C-O 3.26Å; N181-L238 HydrophobicContact CB-CD2 3.99Å; N181-L238 WeakPolarHBondContact OD1-CA 3.48Å; N181-N239 PolarHBondContact ND2-ND2 2.78Å; N181-N239 PolarHBondContact OD1-N 2.85Å; N181-N239 PolarHBondContact OD1-ND2 3.4Å; N181-S284 PolarHBondContact N-O 3.45Å; N181-S284 PolarHBondContact ND2-OG 3.38Å; N181-T285 CarbonylContact O-C 3.59Å; N181-T285 WeakPolarHBondContact O-CA 3.3Å; N181-V286 PolarHBondContact O-N 2.88Å
182F97.8Very high95.1Very high0 Ų044.2 Ų44.20%024%0.244CC..EExtended strand (participates in β ladder)trans-91.3105.4172.4-54.2-97000108.3F173 V176 L180 I237 V286 S288 M290 M386 I389F173-F182 HydrophobicContact CD1-CE2 4.5Å; F173-F182 HydrophobicContact CE1-CD2 4.15Å; F173-F182 AromaticContact CE1-CE2 3.53Å; F173-F182 HydrophobicContact CE1-CE2 3.53Å; F173-F182 HydrophobicContact CE1-CZ 4.13Å; F173-F182 HydrophobicContact CZ-CD2 4.36Å; F173-F182 HydrophobicContact CZ-CE2 4.01Å; F173-F182 HydrophobicContact CZ-CZ 4.42Å; V176-F182 HydrophobicContact CG1-CE2 4.09Å; V176-F182 HydrophobicContact CG1-CZ 3.73Å; L180-F182 HydrophobicContact CB-CE2 4.5Å; F182-I237 HydrophobicContact CB-CB 4.06Å; F182-I237 HydrophobicContact CD2-CB 4.09Å; F182-I237 HydrophobicContact CD2-CG2 4.13Å; F182-I237 HydrophobicContact CG-CB 4.46Å; F182-I237 PolarHBondContact N-O 3.1Å; F182-I237 PolarHBondContact O-N 3.45Å; F182-V286 WeakPolarHBondContact CA-O 3.39Å; F182-V286 HydrophobicContact CD1-CB 3.77Å; F182-V286 HydrophobicContact CD1-CG1 3.75Å; F182-V286 HydrophobicContact CD1-CG2 4.34Å; F182-V286 HydrophobicContact CE1-CB 4.02Å; F182-V286 HydrophobicContact CE1-CG1 3.9Å; F182-V286 HydrophobicContact CE1-CG2 4.12Å; F182-V286 HydrophobicContact CG-CB 4.42Å; F182-S288 CarbonylContact C-O 3.07Å; F182-S288 VanDerWaalsContact C-O 3.26Å; F182-M290 HydrophobicContact CB-CG 3.85Å; F182-M290 HydrophobicContact CB-SD 4.43Å; F182-M290 HydrophobicContact CD1-CE 4.39Å; F182-M290 HydrophobicContact CD1-CG 4.07Å; F182-M290 HydrophobicContact CD1-SD 3.61Å; F182-M290 HydrophobicContact CE1-SD 4.23Å; F182-M290 HydrophobicContact CG-CG 4.11Å; F182-M290 HydrophobicContact CG-SD 4.25Å; F182-M386 HydrophobicContact CE1-CE 3.82Å; F182-M386 HydrophobicContact CE1-SD 3.37Å; F182-M386 WeakPolarHBondContact CE1-SD 3.4Å; F182-M386 HydrophobicContact CZ-CE 3.81Å; F182-M386 HydrophobicContact CZ-SD 3.53Å; F182-M386 VanDerWaalsContact CZ-SD 3.53Å; F182-I389 HydrophobicContact CD1-CD1 4.02Å; F182-I389 HydrophobicContact CE1-CD1 3.96Å
183I97.1Very high94.8Very high0 Ų047.3 Ų47.30%026%0.258CS..  trans-148.6109.5-174.2-176.9164.3000108.2N181 H185 V236 L238 F272 H273 V276 T285 V286 S288N181-I183 HydrophobicContact CB-CG2 4.29Å; N181-I183 PolarHBondContact O-N 3.38Å; I183-H185 PolarHBondContact O-N 2.9Å; I183-H185 PolarHBondContact O-ND1 3.36Å; I183-V236 HydrophobicContact CB-CG1 4.29Å; I183-V236 HydrophobicContact CD1-CG1 3.98Å; I183-V236 HydrophobicContact CG1-CG1 3.86Å; I183-L238 HydrophobicContact CB-CD2 4.33Å; I183-L238 HydrophobicContact CD1-CD2 4.35Å; I183-F272 HydrophobicContact CD1-CB 3.81Å; I183-H273 HydrophobicContact CD1-CB 4.4Å; I183-H273 WeakPolarHBondContact CG1-CD2 3.26Å; I183-H273 WeakPolarHBondContact CG1-NE2 3.32Å; I183-V276 HydrophobicContact CD1-CG1 4.22Å; I183-V276 HydrophobicContact CG2-CG1 4.21Å; I183-T285 HydrophobicContact CG2-CG2 4.01Å; I183-V286 PolarHBondContact N-O 3.12Å; I183-S288 PolarHBondContact N-O 2.89Å; I183-S288 VanDerWaalsContact N-O 3.17Å
184D95.2Very high94.6Very high60 Ų6050.3 Ų50.332%0.32128%0.277SS..  trans-63.1124.1170.4168.466.9000109G232 S233 H273 N287 D289D184-G232 WeakPolarHBondContact O-CA 3.26Å; D184-G232 WeakPolarHBondContact OD2-CA 3.41Å; D184-S233 PolarHBondContact OD2-N 2.88Å; D184-H273 PolarHBondContact O-CD2 3.32Å; D184-H273 PolarHBondContact O-NE2 2.5Å; D184-N287 VanDerWaalsContact CA-OD1 3.23Å; D184-N287 WeakPolarHBondContact CA-OD1 3.24Å; D184-N287 PolarHBondContact OD1-OD1 2.88Å; D184-D289 HydrophobicContact CB-CB 3.97Å
185H94.7Very high94.3Very high6 Ų652.6 Ų52.63%0.02828%0.281CS..  trans-149.9145.8-175.163.4-75.6000112.8I183 T231 H273 C277 N287 C400I183-H185 PolarHBondContact O-N 2.9Å; I183-H185 PolarHBondContact O-ND1 3.36Å; H185-T231 CarbonylContact C-O 3.52Å; H185-T231 WeakPolarHBondContact CA-O 3.4Å; H185-H273 HydrophobicContact CB-CB 4.45Å; H185-C277 PolarHBondContact CD2-SG 2.89Å; H185-N287 PolarHBondContact N-OD1 2.95Å; H185-N287 PolarHBondContact O-ND2 3.04Å; H185-N287 PolarHBondContact O-OD1 3.14Å; H185-C400 PolarHBondContact NE2-N 3.09Å
186T93.7Very high94Very high55 Ų5550.1 Ų50.134%0.33726%0.259SS..BIsolated β-bridgetrans-145.5147.8170.6-1770000110.7D188 F230 T231T186-D188 PolarHBondContact OG1-N 3.07Å; T186-F230 WeakPolarHBondContact O-CA 3.3Å; T186-T231 HydrophobicContact CG2-CG2 4.14Å; T186-T231 PolarHBondContact N-O 3.32Å; T186-T231 PolarHBondContact O-N 2.66Å
187S92.7Very high93.9Very high30 Ų3049.8 Ų49.821%0.2126%0.257CS..SBendtrans-96.9-5.3166.567.50000113I189 K228 K401S187-I189 VanDerWaalsContact C-N 3.3Å; S187-I189 PolarHBondContact O-N 3.18Å; S187-K228 VanDerWaalsContact CB-CE 3.46Å; S187-K228 PolarHBondContact OG-NZ 3.17Å; S187-K228 VanDerWaalsContact OG-NZ 3.16Å; S187-K401 PolarHBondContact OG-O 3.37Å
188D91.9Very high93.9Very high128 Ų12849 Ų4968%0.68425%0.248SC*.  trans-79.184.8171.4-172.84.4000108.9T186T186-D188 PolarHBondContact OG1-N 3.07Å
189I90.5Very high93.9Very high22 Ų2246.4 Ų46.411%0.11324%0.239CC..  trans-80.7-24-175.554.4176.7000112.6S187 W191 K192 E193 V197 T223 F229 T231S187-I189 VanDerWaalsContact C-N 3.3Å; S187-I189 PolarHBondContact O-N 3.18Å; I189-W191 PolarHBondContact O-N 3.18Å; I189-K192 WeakPolarHBondContact O-CA 3.19Å; I189-K192 WeakPolarHBondContact O-CB 3.41Å; I189-K192 WeakPolarHBondContact O-CG 3.3Å; I189-K192 PolarHBondContact O-N 3.05Å; I189-E193 HydrophobicContact CD1-CB 3.59Å; I189-E193 HydrophobicContact CD1-CG 3.66Å; I189-E193 HydrophobicContact CG1-CB 3.94Å; I189-E193 HydrophobicContact CG1-CG 4.47Å; I189-V197 HydrophobicContact CD1-CG2 4.5Å; I189-T223 HydrophobicContact CD1-CG2 4.49Å; I189-F229 HydrophobicContact CG2-CD1 3.82Å; I189-F229 HydrophobicContact CG2-CE1 4.41Å; I189-T231 HydrophobicContact CG2-CG2 4.08Å
190G91.2Very high93.8Very high42 Ų4243.5 Ų43.543%0.43323%0.226SC..THydrogen-bonded Turntrans42.8-126.5178.600000113.8K192 E193G190-K192 PolarHBondContact O-N 2.68Å; G190-K192 VanDerWaalsContact O-N 3.15Å; G190-E193 WeakPolarHBondContact O-CB 3.2Å; G190-E193 PolarHBondContact O-N 3.49Å; G190-E193 VanDerWaalsContact O-N 3.12Å
191W90.1Very high93.6Very high139 Ų13942.6 Ų42.653%0.52722%0.222SC..Hα-helixtrans-60.1-25178.968.1-96.8000113.9I189 E193 T194 Q195I189-W191 PolarHBondContact O-N 3.18Å; W191-E193 PolarHBondContact O-N 3.33Å; W191-T194 PolarHBondContact O-N 2.79Å; W191-T194 PolarHBondContact O-OG1 2.86Å; W191-T194 VanDerWaalsContact O-OG1 3.12Å; W191-Q195 HydrophobicContact CE3-CB 4Å; W191-Q195 VanDerWaalsContact CE3-CD 3.46Å; W191-Q195 HydrophobicContact CE3-CG 3.97Å; W191-Q195 HydrophobicContact CZ3-CB 4.07Å; W191-Q195 HydrophobicContact CZ3-CG 4.34Å; W191-Q195 PolarHBondContact O-N 3.35Å
192K90.7Very high93.4Very high49 Ų4945.6 Ų45.621%0.21324%0.24CC..Hα-helixtrans-64.6-22.6178.9-56.9175.6179.5176.70111.5I189 G190 R196 V197 T231I189-K192 WeakPolarHBondContact O-CA 3.19Å; I189-K192 WeakPolarHBondContact O-CB 3.41Å; I189-K192 WeakPolarHBondContact O-CG 3.3Å; I189-K192 PolarHBondContact O-N 3.05Å; G190-K192 PolarHBondContact O-N 2.68Å; G190-K192 VanDerWaalsContact O-N 3.15Å; K192-R196 HydrophobicContact CB-CG 4.36Å; K192-R196 WeakPolarHBondContact O-CA 3.36Å; K192-R196 VanDerWaalsContact O-CB 3.27Å; K192-R196 WeakPolarHBondContact O-CB 3.37Å; K192-R196 PolarHBondContact O-N 3.16Å; K192-V197 PolarHBondContact O-N 2.96Å; K192-T231 HydrophobicContact CD-CG2 3.97Å
193E92.9Very high93.1Very high65 Ų6545.6 Ų45.630%0.30424%0.24SC..Iπ-helixtrans-57.9-57.5175.1-171.5174-162.600111.2I189 G190 W191 Q195 V197 Q198 T223I189-E193 HydrophobicContact CD1-CB 3.59Å; I189-E193 HydrophobicContact CD1-CG 3.66Å; I189-E193 HydrophobicContact CG1-CB 3.94Å; I189-E193 HydrophobicContact CG1-CG 4.47Å; G190-E193 WeakPolarHBondContact O-CB 3.2Å; G190-E193 PolarHBondContact O-N 3.49Å; G190-E193 VanDerWaalsContact O-N 3.12Å; W191-E193 PolarHBondContact O-N 3.33Å; E193-Q195 VanDerWaalsContact C-N 3.28Å; E193-Q195 PolarHBondContact O-N 2.92Å; E193-V197 WeakPolarHBondContact O-CB 3.27Å; E193-V197 PolarHBondContact O-N 3.21Å; E193-V197 VanDerWaalsContact O-N 3.14Å; E193-Q198 HydrophobicContact CG-CG 4.3Å; E193-Q198 WeakPolarHBondContact O-CG 3.11Å; E193-Q198 PolarHBondContact O-N 3.14Å; E193-T223 HydrophobicContact CG-CG2 4.47Å; E193-T223 VanDerWaalsContact CG-OG1 3.25Å; E193-T223 WeakPolarHBondContact CG-OG1 3.07Å; E193-T223 VanDerWaalsContact OE1-CB 3.26Å; E193-T223 WeakPolarHBondContact OE1-CB 3.38Å; E193-T223 WeakPolarHBondContact OE1-CG2 2.93Å; E193-T223 PolarHBondContact OE1-OG1 2.94Å
194T92.7Very high92.8Very high64 Ų6445.6 Ų45.639%0.39324%0.24SC..Iπ-helixtrans-71.3-23.7-176.563.40000113.8W191 P199 K220W191-T194 PolarHBondContact O-N 2.79Å; W191-T194 PolarHBondContact O-OG1 2.86Å; W191-T194 VanDerWaalsContact O-OG1 3.12Å; T194-P199 WeakPolarHBondContact O-CD 3.15Å; T194-P199 WeakPolarHBondContact O-CG 3.24Å; T194-K220 PolarHBondContact O-NZ 2.84Å; T194-K220 VanDerWaalsContact O-NZ 3.13Å
195Q90.5Very high92.3Very high108 Ų10843.3 Ų43.351%0.50523%0.231SC..Iπ-helixtrans-100.5-26.5-177-67.5-164.114.500114.3W191 E193 P199 M265W191-Q195 HydrophobicContact CE3-CB 4Å; W191-Q195 VanDerWaalsContact CE3-CD 3.46Å; W191-Q195 HydrophobicContact CE3-CG 3.97Å; W191-Q195 HydrophobicContact CZ3-CB 4.07Å; W191-Q195 HydrophobicContact CZ3-CG 4.34Å; W191-Q195 PolarHBondContact O-N 3.35Å; E193-Q195 VanDerWaalsContact C-N 3.28Å; E193-Q195 PolarHBondContact O-N 2.92Å; Q195-P199 WeakPolarHBondContact O-CG 3.35Å; Q195-M265 WeakPolarHBondContact O-CE 3.47Å
196R91.5Very high91.6Very high32 Ų3247.8 Ų47.812%0.12125%0.254CS..Iπ-helixtrans-123.4-34.1-173.4-56.3-176.7178.7-173.1-9.1113.6K192 M265 E269K192-R196 HydrophobicContact CB-CG 4.36Å; K192-R196 WeakPolarHBondContact O-CA 3.36Å; K192-R196 VanDerWaalsContact O-CB 3.27Å; K192-R196 WeakPolarHBondContact O-CB 3.37Å; K192-R196 PolarHBondContact O-N 3.16Å; R196-M265 HydrophobicContact CB-CB 4.38Å; R196-M265 PolarHBondContact O-N 3.24Å; R196-E269 IonicContact CZ-OE2 3.98Å; R196-E269 IonicContact NH1-OE2 3Å; R196-E269 PolarHBondContact NH1-OE2 3.44Å
197V95Very high90.8Very high1 Ų151.1 Ų51.11%0.00626%0.261CS..Iπ-helixtrans-90-51-173.7-174.60000112.1I189 K192 E193 R221 T223 F229 Y260I189-V197 HydrophobicContact CD1-CG2 4.5Å; K192-V197 PolarHBondContact O-N 2.96Å; E193-V197 WeakPolarHBondContact O-CB 3.27Å; E193-V197 PolarHBondContact O-N 3.21Å; E193-V197 VanDerWaalsContact O-N 3.14Å; V197-R221 PolarHBondContact O-NE 2.86Å; V197-R221 PolarHBondContact O-NH2 3.16Å; V197-T223 HydrophobicContact CG1-CG2 4.26Å; V197-F229 HydrophobicContact CB-CE2 4.49Å; V197-F229 HydrophobicContact CG1-CD2 3.88Å; V197-F229 HydrophobicContact CG1-CE2 4.03Å; V197-F229 HydrophobicContact CG1-CG 4.34Å; V197-F229 HydrophobicContact CG2-CD1 3.9Å; V197-F229 HydrophobicContact CG2-CD2 4.13Å; V197-F229 HydrophobicContact CG2-CE1 3.6Å; V197-F229 HydrophobicContact CG2-CE2 3.88Å; V197-F229 HydrophobicContact CG2-CG 4.14Å; V197-F229 HydrophobicContact CG2-CZ 3.61Å; V197-Y260 VanDerWaalsContact CG1-OH 3.3Å; V197-Y260 WeakPolarHBondContact CG1-OH 3.47Å; V197-Y260 PolarHBondContact O-OH 2.87Å
198Q96.1Very high90Very high42 Ų4252.9 Ų52.920%0.19627%0.268CS..SBendtrans-72.4-34.9-178.1-65.9178.4-14.100114E193 K220 R221E193-Q198 HydrophobicContact CG-CG 4.3Å; E193-Q198 WeakPolarHBondContact O-CG 3.11Å; E193-Q198 PolarHBondContact O-N 3.14Å; Q198-K220 HydrophobicContact CB-CB 4.39Å; Q198-K220 HydrophobicContact CB-CD 4.26Å; Q198-K220 WeakPolarHBondContact O-CA 3.09Å; Q198-R221 WeakPolarHBondContact CA-O 3.49Å; Q198-R221 WeakPolarHBondContact CB-O 3.49Å; Q198-R221 WeakPolarHBondContact CG-O 3.32Å; Q198-R221 WeakPolarHBondContact O-CG 3.42Å; Q198-R221 PolarHBondContact O-N 3.14Å
199P95.8Very high88.8Confident3 Ų351.8 Ų51.82%0.01928%0.276CS..EExtended strand (participates in β ladder)trans-65.9137.3173.7-25.339.1000111.9T194 Q195 M265T194-P199 WeakPolarHBondContact O-CD 3.15Å; T194-P199 WeakPolarHBondContact O-CG 3.24Å; Q195-P199 WeakPolarHBondContact O-CG 3.35Å; P199-M265 HydrophobicContact CB-CE 4.46Å
200I95.3Very high87.5Confident49 Ų4953 Ų5325%0.25129%0.294SS..EExtended strand (participates in β ladder)trans-96.5121.8173.9-57.5171.9000107.7A217 R221 N263I200-A217 HydrophobicContact CB-CB 4Å; I200-A217 HydrophobicContact CG2-CB 4.4Å; I200-A217 PolarHBondContact O-N 2.68Å; I200-R221 HydrophobicContact CD1-CB 4.11Å; I200-R221 HydrophobicContact CD1-CG 4.31Å; I200-R221 HydrophobicContact CG1-CB 4.28Å; I200-R221 HydrophobicContact CG1-CG 3.93Å; I200-N263 HydrophobicContact CG2-CB 4.04Å
201I93.6Very high86.5Confident0 Ų056.9 Ų56.90%030%0.296CS..EExtended strand (participates in β ladder)trans-115150.7172.764.3151.7000112.4M128 F214 F215 Q216 N263 V264 M265M128-I201 VanDerWaalsContact O-CD1 3.27Å; M128-I201 WeakPolarHBondContact O-CD1 3.35Å; I201-F214 HydrophobicContact CB-CD2 4Å; I201-F214 HydrophobicContact CD1-CB 4.4Å; I201-F214 HydrophobicContact CD1-CD2 4.37Å; I201-F214 HydrophobicContact CD1-CG 4.49Å; I201-F214 HydrophobicContact CG2-CD2 3.69Å; I201-F214 HydrophobicContact CG2-CE2 3.98Å; I201-F215 CarbonylContact C-O 3.46Å; I201-F215 WeakPolarHBondContact CA-O 3.39Å; I201-Q216 HydrophobicContact CG2-CB 4.19Å; I201-Q216 HydrophobicContact CG2-CG 4.18Å; I201-N263 PolarHBondContact N-O 2.98Å; I201-N263 VanDerWaalsContact O-CA 3.22Å; I201-N263 WeakPolarHBondContact O-CA 3.41Å; I201-N263 WeakPolarHBondContact O-CB 3.28Å; I201-N263 PolarHBondContact O-ND2 3.45Å; I201-V264 WeakPolarHBondContact CD1-O 3.32Å; I201-M265 HydrophobicContact CB-CG 4.3Å; I201-M265 HydrophobicContact CD1-CB 4.44Å; I201-M265 HydrophobicContact CD1-CG 3.92Å; I201-M265 HydrophobicContact CG1-CG 3.96Å; I201-M265 HydrophobicContact CG2-CG 3.41Å; I201-M265 VanDerWaalsContact CG2-CG 3.41Å; I201-M265 HydrophobicContact CG2-SD 3.8Å
202V92.7Very high85.6Confident63 Ų6354.5 Ų54.538%0.38229%0.294SS..EExtended strand (participates in β ladder)trans-117.5112.4171.7-174.90000107.8A204 Y207 F214 F215V202-A204 PolarHBondContact O-N 3.25Å; V202-Y207 HydrophobicContact CG1-CE1 3.89Å; V202-F214 WeakPolarHBondContact O-CA 3.43Å; V202-F215 HydrophobicContact CB-CB 4.42Å; V202-F215 PolarHBondContact N-O 3.23Å; V202-F215 PolarHBondContact O-N 3.03Å
203D92Very high85.1Confident0 Ų057.9 Ų57.90%031%0.31CS..EExtended strand (participates in β ladder)trans-71.1117.6175.7-176.3-10000110.4T126 G129 S130 S131 G205 I206T126-D203 VanDerWaalsContact CB-OD1 3.25Å; T126-D203 WeakPolarHBondContact CB-OD1 3.29Å; T126-D203 WeakPolarHBondContact CB-OD2 3.35Å; T126-D203 PolarHBondContact OG1-OD1 3.14Å; G129-D203 VanDerWaalsContact C-OD2 3.26Å; G129-D203 VanDerWaalsContact CA-OD2 3.32Å; G129-D203 WeakPolarHBondContact CA-OD2 3.45Å; S130-D203 PolarHBondContact N-OD2 2.94Å; S130-D203 VanDerWaalsContact N-OD2 3.1Å; S131-D203 WeakPolarHBondContact CA-OD2 3.3Å; S131-D203 WeakPolarHBondContact CB-OD2 3.13Å; S131-D203 PolarHBondContact N-OD2 2.95Å; S131-D203 PolarHBondContact OG-OD2 3.43Å; D203-G205 PolarHBondContact O-N 2.95Å; D203-G205 WeakPolarHBondContact OD1-CA 3.33Å; D203-G205 PolarHBondContact OD1-N 3.42Å; D203-I206 HydrophobicContact CB-CD1 3.89Å; D203-I206 HydrophobicContact CB-CG1 3.96Å; D203-I206 PolarHBondContact O-N 3.44Å
204A89.3Confident84.9Confident0 Ų058 Ų580%031%0.31CS..G310 helixtrans-65.5-27.1179.400000112.2V202 I206 Y207 L208 R211 Q213 F215V202-A204 PolarHBondContact O-N 3.25Å; A204-I206 PolarHBondContact O-N 3.39Å; A204-I206 VanDerWaalsContact O-N 3.16Å; A204-Y207 HydrophobicContact CB-CE1 4.44Å; A204-Y207 PolarHBondContact O-N 2.83Å; A204-L208 PolarHBondContact O-N 3.44Å; A204-R211 HydrophobicContact CB-CB 4Å; A204-Q213 WeakPolarHBondContact CB-O 3.31Å; A204-Q213 PolarHBondContact N-O 2.88Å; A204-Q213 VanDerWaalsContact N-O 3.07Å; A204-F215 HydrophobicContact CB-CD2 4.29Å; A204-F215 HydrophobicContact CB-CE2 3.81Å
205G85.6Confident84.8Confident12 Ų1259.5 Ų59.512%0.12431%0.311CS..G310 helixtrans-65.9-12.7-179.900000114.4A124 D203 R211A124-G205 WeakPolarHBondContact CB-O 3.34Å; D203-G205 PolarHBondContact O-N 2.95Å; D203-G205 WeakPolarHBondContact OD1-CA 3.33Å; D203-G205 PolarHBondContact OD1-N 3.42Å; G205-R211 WeakPolarHBondContact CA-O 3.23Å
206I80.6Confident84.9Confident99 Ų9959.6 Ų59.651%0.50831%0.311SS..G310 helixtrans-76.8-37.5176.3-57.9174.2000111.7S130 D203 A204 T262S130-I206 WeakPolarHBondContact OG-CD1 3.25Å; D203-I206 HydrophobicContact CB-CD1 3.89Å; D203-I206 HydrophobicContact CB-CG1 3.96Å; D203-I206 PolarHBondContact O-N 3.44Å; A204-I206 PolarHBondContact O-N 3.39Å; A204-I206 VanDerWaalsContact O-N 3.16Å; I206-T262 HydrophobicContact CD1-CG2 4.14Å
207Y76.4Confident85Confident126 Ų12660.1 Ų60.149%0.49432%0.322SS..THydrogen-bonded Turntrans-119.4-13.6-171.965.1-86.9000113.9V202 A204 F215V202-Y207 HydrophobicContact CG1-CE1 3.89Å; A204-Y207 HydrophobicContact CB-CE1 4.44Å; A204-Y207 PolarHBondContact O-N 2.83Å; Y207-F215 WeakPolarHBondContact OH-CD2 3.03Å; Y207-F215 WeakPolarHBondContact OH-CE2 3.32Å
208L75.6Confident84.9Confident67 Ų6766.7 Ų66.735%0.35136%0.363SS..SBendtrans-124.598.8174.9-69.4169.5000110A204 G210 R211A204-L208 PolarHBondContact O-N 3.44Å; L208-G210 PolarHBondContact O-N 3.07Å; L208-R211 HydrophobicContact CB-CB 4.33Å; L208-R211 HydrophobicContact CB-CG 4.13Å; L208-R211 PolarHBondContact O-N 3.24Å; L208-R211 VanDerWaalsContact O-N 3.17Å
209A66.2Low84.8Confident104 Ų10471.7 Ų71.786%0.8639%0.386SS*.THydrogen-bonded Turntrans-53.8129.4177.600000111.3
210G63.3Low84.8Confident48 Ų4877.2 Ų77.250%0.49541%0.41SS..THydrogen-bonded Turntrans87.1-3.7177.900000115.6L208L208-G210 PolarHBondContact O-N 3.07Å
211R70.9Confident84.8Confident124 Ų12477.4 Ų77.447%0.46841%0.407SS..  trans-86.2136.8166.7-70.3-162.4176.7-167.9-0.6110.6A204 G205 L208A204-R211 HydrophobicContact CB-CB 4Å; G205-R211 WeakPolarHBondContact CA-O 3.23Å; L208-R211 HydrophobicContact CB-CB 4.33Å; L208-R211 HydrophobicContact CB-CG 4.13Å; L208-R211 PolarHBondContact O-N 3.24Å; L208-R211 VanDerWaalsContact O-N 3.17Å
212N71.5Confident84.8Confident89 Ų8984.4 Ų84.448%0.47645%0.445SS..  trans-118.521.8178.764.7-12.4000112.2T126T126-N212 WeakPolarHBondContact CG2-O 3.44Å
213Q80.7Confident84.8Confident119 Ų11983.2 Ų83.256%0.55644%0.438SS*.  trans-102.1166.2177.2-66.5179.6-9.300110.5A204A204-Q213 WeakPolarHBondContact CB-O 3.31Å; A204-Q213 PolarHBondContact N-O 2.88Å; A204-Q213 VanDerWaalsContact N-O 3.07Å
214F88.1Confident84.9Confident69 Ų6984.5 Ų84.530%0.30345%0.446SS..EExtended strand (participates in β ladder)trans-128.9156.1171.267-82000109.5M128 I201 V202 Q216 M265M128-F214 HydrophobicContact CB-CD1 3.64Å; M128-F214 HydrophobicContact CB-CE1 3.67Å; M128-F214 HydrophobicContact CB-CG 4.32Å; M128-F214 HydrophobicContact CB-CZ 4.34Å; M128-F214 HydrophobicContact CG-CD1 4.05Å; M128-F214 HydrophobicContact CG-CE1 3.6Å; M128-F214 HydrophobicContact CG-CZ 4.29Å; I201-F214 HydrophobicContact CB-CD2 4Å; I201-F214 HydrophobicContact CD1-CB 4.4Å; I201-F214 HydrophobicContact CD1-CD2 4.37Å; I201-F214 HydrophobicContact CD1-CG 4.49Å; I201-F214 HydrophobicContact CG2-CD2 3.69Å; I201-F214 HydrophobicContact CG2-CE2 3.98Å; V202-F214 WeakPolarHBondContact O-CA 3.43Å; F214-Q216 HydrophobicContact CE2-CB 4.35Å; F214-M265 HydrophobicContact CE2-SD 4Å; F214-M265 HydrophobicContact CZ-SD 4.31Å
215F90.4Very high85Confident94 Ų9492.4 Ų92.441%0.41249%0.488SS..EExtended strand (participates in β ladder)trans-105.8132.8171.3-62.5-87.7000108.5I201 V202 A204 Y207I201-F215 CarbonylContact C-O 3.46Å; I201-F215 WeakPolarHBondContact CA-O 3.39Å; V202-F215 HydrophobicContact CB-CB 4.42Å; V202-F215 PolarHBondContact N-O 3.23Å; V202-F215 PolarHBondContact O-N 3.03Å; A204-F215 HydrophobicContact CB-CD2 4.29Å; A204-F215 HydrophobicContact CB-CE2 3.81Å; Y207-F215 WeakPolarHBondContact OH-CD2 3.03Å; Y207-F215 WeakPolarHBondContact OH-CE2 3.32Å
216Q92.3Very high85.3Confident111 Ų11195.3 Ų95.352%0.51952%0.518SS..EExtended strand (participates in β ladder)trans-101.8129.2173.7-174174.9-28.600109.1I201 F214I201-Q216 HydrophobicContact CG2-CB 4.19Å; I201-Q216 HydrophobicContact CG2-CG 4.18Å; F214-Q216 HydrophobicContact CE2-CB 4.35Å
217A93.7Very high86Confident42 Ų4291.8 Ų91.835%0.34750%0.499SS..EExtended strand (participates in β ladder)trans-68.3150.8174.500000110.6I200I200-A217 HydrophobicContact CB-CB 4Å; I200-A217 HydrophobicContact CG2-CB 4.4Å; I200-A217 PolarHBondContact O-N 2.68Å
218T93.6Very high86.9Confident140 Ų14088.6 Ų88.686%0.85949%0.488SS*.EExtended strand (participates in β ladder)trans-68.8-40.9174.9-46.80000111.2
219E93.9Very high87.8Confident147 Ų14786.1 Ų86.169%0.68747%0.474SS*.EExtended strand (participates in β ladder)trans-79.6147.9176.4-61.9-56.2145.600111.8
220K94.9Very high89.2Confident119 Ų11981.2 Ų81.252%0.51743%0.433SS..EExtended strand (participates in β ladder)trans-102.4163170.9-63-171.9-176.9-168.80110T194 Q198T194-K220 PolarHBondContact O-NZ 2.84Å; T194-K220 VanDerWaalsContact O-NZ 3.13Å; Q198-K220 HydrophobicContact CB-CB 4.39Å; Q198-K220 HydrophobicContact CB-CD 4.26Å; Q198-K220 WeakPolarHBondContact O-CA 3.09Å
221R94.7Very high90.8Very high53 Ų5379.1 Ų79.120%0.241%0.411CS..  trans-109.7162166.659.9176178.2-167.2-3110.4V197 Q198 I200 Y260V197-R221 PolarHBondContact O-NE 2.86Å; V197-R221 PolarHBondContact O-NH2 3.16Å; Q198-R221 WeakPolarHBondContact CA-O 3.49Å; Q198-R221 WeakPolarHBondContact CB-O 3.49Å; Q198-R221 WeakPolarHBondContact CG-O 3.32Å; Q198-R221 WeakPolarHBondContact O-CG 3.42Å; Q198-R221 PolarHBondContact O-N 3.14Å; I200-R221 HydrophobicContact CD1-CB 4.11Å; I200-R221 HydrophobicContact CD1-CG 4.31Å; I200-R221 HydrophobicContact CG1-CB 4.28Å; I200-R221 HydrophobicContact CG1-CG 3.93Å; R221-Y260 PolarHBondContact NE-OH 3.4Å; R221-Y260 PolarHBondContact NH2-OH 3.34Å
222D94.6Very high91.9Very high146 Ų14673.6 Ų73.678%0.78139%0.392SS*.PPolyproline II helixtrans-68.7154.7169.1-62.5-35.6000111.6
223T93.5Very high93Very high39 Ų3969.9 Ų69.924%0.23937%0.374CS..PPolyproline II helixtrans-64137.4170.4-58.70000109I189 E193 V197 D225I189-T223 HydrophobicContact CD1-CG2 4.49Å; E193-T223 HydrophobicContact CG-CG2 4.47Å; E193-T223 VanDerWaalsContact CG-OG1 3.25Å; E193-T223 WeakPolarHBondContact CG-OG1 3.07Å; E193-T223 VanDerWaalsContact OE1-CB 3.26Å; E193-T223 WeakPolarHBondContact OE1-CB 3.38Å; E193-T223 WeakPolarHBondContact OE1-CG2 2.93Å; E193-T223 PolarHBondContact OE1-OG1 2.94Å; V197-T223 HydrophobicContact CG1-CG2 4.26Å; T223-D225 PolarHBondContact O-N 3.28Å
224P92.4Very high93.6Very high26 Ų2665.3 Ų65.317%0.16935%0.354CS..PPolyproline II helixtrans-64.7135.6-174.525.8-34.5000110.9F227 Y260P224-F227 HydrophobicContact CB-CD1 4Å; P224-F227 HydrophobicContact CB-CE1 3.53Å; P224-F227 HydrophobicContact CB-CZ 3.9Å; P224-F227 HydrophobicContact CG-CD1 4.4Å; P224-F227 HydrophobicContact CG-CE1 3.75Å; P224-F227 HydrophobicContact CG-CE2 4.03Å; P224-F227 HydrophobicContact CG-CZ 3.53Å; P224-Y260 HydrophobicContact CB-CE2 4.07Å; P224-Y260 VanDerWaalsContact CD-OH 3.23Å; P224-Y260 WeakPolarHBondContact CD-OH 3.18Å; P224-Y260 HydrophobicContact CG-CE1 4.26Å; P224-Y260 HydrophobicContact CG-CE2 4.02Å
225D91.9Very high94Very high167 Ų16763.8 Ų63.889%0.89335%0.346SS*.SBendtrans-99.1-21.5174.560.1-9.8000112.4T223 F227T223-D225 PolarHBondContact O-N 3.28Å; D225-F227 VanDerWaalsContact C-N 3.29Å; D225-F227 PolarHBondContact O-N 2.87Å
226G93.1Very high94.3Very high72 Ų7259.3 Ų59.374%0.74233%0.327SS*.SBendtrans-73.3-12.3178.400000115.6
227F94.4Very high94.6Very high25 Ų2554.1 Ų54.111%0.1130%0.303CS..SBendtrans-156155.7172.368.3-86000109.9P224 D225 F229 L257 Y260 F261P224-F227 HydrophobicContact CB-CD1 4Å; P224-F227 HydrophobicContact CB-CE1 3.53Å; P224-F227 HydrophobicContact CB-CZ 3.9Å; P224-F227 HydrophobicContact CG-CD1 4.4Å; P224-F227 HydrophobicContact CG-CE1 3.75Å; P224-F227 HydrophobicContact CG-CE2 4.03Å; P224-F227 HydrophobicContact CG-CZ 3.53Å; D225-F227 VanDerWaalsContact C-N 3.29Å; D225-F227 PolarHBondContact O-N 2.87Å; F227-F229 HydrophobicContact CE2-CD2 4.31Å; F227-L257 HydrophobicContact CB-CD1 4.45Å; F227-L257 HydrophobicContact CD1-CD1 3.93Å; F227-L257 HydrophobicContact CD1-CG 4.49Å; F227-L257 HydrophobicContact CD2-CD1 4.33Å; F227-L257 HydrophobicContact CD2-CD2 4.31Å; F227-L257 HydrophobicContact CD2-CG 4.26Å; F227-L257 HydrophobicContact CE1-CD1 4.24Å; F227-L257 HydrophobicContact CE1-CG 4.45Å; F227-L257 HydrophobicContact CE2-CG 4.23Å; F227-L257 HydrophobicContact CG-CD1 3.98Å; F227-L257 HydrophobicContact CG-CG 4.4Å; F227-L257 HydrophobicContact CZ-CG 4.32Å; F227-Y260 HydrophobicContact CE1-CD1 4.28Å; F227-Y260 HydrophobicContact CE1-CD2 4.31Å; F227-Y260 HydrophobicContact CE1-CG 4.1Å; F227-Y260 AromaticContact CZ-CD1 3.65Å; F227-Y260 HydrophobicContact CZ-CD1 3.65Å; F227-Y260 HydrophobicContact CZ-CD2 4.41Å; F227-Y260 AromaticContact CZ-CE1 3.92Å; F227-Y260 HydrophobicContact CZ-CE1 3.92Å; F227-Y260 AromaticContact CZ-CG 3.93Å; F227-Y260 HydrophobicContact CZ-CG 3.93Å; F227-F261 HydrophobicContact CE2-CE2 4.36Å
228K94.6Very high94.9Very high59 Ų5952.1 Ų52.126%0.25729%0.286SS..  trans-81.2125.4175.8-169.2171.5-156.1-171.90110.6S187 F230 N278 K401 Q402S187-K228 VanDerWaalsContact CB-CE 3.46Å; S187-K228 PolarHBondContact OG-NZ 3.17Å; S187-K228 VanDerWaalsContact OG-NZ 3.16Å; K228-F230 HydrophobicContact CB-CD2 4.37Å; K228-F230 HydrophobicContact CB-CE2 3.85Å; K228-F230 HydrophobicContact CD-CE2 3.77Å; K228-F230 HydrophobicContact CD-CZ 3.92Å; K228-F230 HydrophobicContact CG-CD2 4.27Å; K228-F230 HydrophobicContact CG-CE2 3.74Å; K228-F230 HydrophobicContact CG-CZ 4.36Å; K228-F230 WeakPolarHBondContact O-CD2 3.18Å; K228-F230 PolarHBondContact O-N 3.48Å; K228-N278 PolarHBondContact N-OD1 3Å; K228-N278 PolarHBondContact O-ND2 2.94Å; K228-K401 PolarHBondContact NZ-O 2.97Å; K228-Q402 WeakPolarHBondContact CD-OXT 3.34Å; K228-Q402 WeakPolarHBondContact CE-OXT 3.48Å; K228-Q402 PolarHBondContact NZ-O 3.39Å; K228-Q402 PolarHBondContact NZ-OXT 2.99Å
229F95.3Very high95.1Very high15 Ų1545.7 Ų45.77%0.06625%0.246CC..  trans-75.6125176.8-166.9-80.1000110.5I189 V197 F227 Y260 F261 V264I189-F229 HydrophobicContact CG2-CD1 3.82Å; I189-F229 HydrophobicContact CG2-CE1 4.41Å; V197-F229 HydrophobicContact CB-CE2 4.49Å; V197-F229 HydrophobicContact CG1-CD2 3.88Å; V197-F229 HydrophobicContact CG1-CE2 4.03Å; V197-F229 HydrophobicContact CG1-CG 4.34Å; V197-F229 HydrophobicContact CG2-CD1 3.9Å; V197-F229 HydrophobicContact CG2-CD2 4.13Å; V197-F229 HydrophobicContact CG2-CE1 3.6Å; V197-F229 HydrophobicContact CG2-CE2 3.88Å; V197-F229 HydrophobicContact CG2-CG 4.14Å; V197-F229 HydrophobicContact CG2-CZ 3.61Å; F227-F229 HydrophobicContact CE2-CD2 4.31Å; F229-Y260 HydrophobicContact CD2-CE1 4.2Å; F229-Y260 HydrophobicContact CE2-CE1 4.1Å; F229-F261 HydrophobicContact CD2-CE1 4.36Å; F229-F261 AromaticContact CD2-CZ 3.97Å; F229-F261 HydrophobicContact CD2-CZ 3.97Å; F229-F261 HydrophobicContact CE2-CD1 4.5Å; F229-F261 AromaticContact CE2-CE1 3.41Å; F229-F261 HydrophobicContact CE2-CE1 3.41Å; F229-F261 VanDerWaalsContact CE2-CE1 3.41Å; F229-F261 AromaticContact CE2-CZ 3.46Å; F229-F261 HydrophobicContact CE2-CZ 3.46Å; F229-F261 VanDerWaalsContact CE2-CZ 3.46Å; F229-F261 AromaticContact CZ-CE1 3.67Å; F229-F261 HydrophobicContact CZ-CE1 3.67Å; F229-F261 AromaticContact CZ-CZ 3.97Å; F229-F261 HydrophobicContact CZ-CZ 3.97Å; F229-V264 HydrophobicContact CE2-CG1 4.27Å; F229-V264 HydrophobicContact CE2-CG2 4.49Å; F229-V264 HydrophobicContact CZ-CG1 4.19Å
230F96Very high95.2Very high1 Ų140.3 Ų40.30%0.00422%0.22CC..  trans-116.3146.4170.9-74.9-99.5000110.1T186 K228 G270 H273 S274 C277 C400 K401T186-F230 WeakPolarHBondContact O-CA 3.3Å; K228-F230 HydrophobicContact CB-CD2 4.37Å; K228-F230 HydrophobicContact CB-CE2 3.85Å; K228-F230 HydrophobicContact CD-CE2 3.77Å; K228-F230 HydrophobicContact CD-CZ 3.92Å; K228-F230 HydrophobicContact CG-CD2 4.27Å; K228-F230 HydrophobicContact CG-CE2 3.74Å; K228-F230 HydrophobicContact CG-CZ 4.36Å; K228-F230 WeakPolarHBondContact O-CD2 3.18Å; K228-F230 PolarHBondContact O-N 3.48Å; F230-G270 WeakPolarHBondContact O-CA 3.49Å; F230-H273 HydrophobicContact CB-CB 3.81Å; F230-S274 PolarHBondContact N-OG 2.87Å; F230-S274 PolarHBondContact O-OG 3.31Å; F230-S274 VanDerWaalsContact O-OG 3.12Å; F230-C277 HydrophobicContact CD1-CB 4.07Å; F230-C277 HydrophobicContact CD2-CB 3.5Å; F230-C277 VanDerWaalsContact CD2-CB 3.5Å; F230-C277 HydrophobicContact CE1-CB 4.02Å; F230-C277 HydrophobicContact CE2-CB 3.43Å; F230-C277 VanDerWaalsContact CE2-CB 3.43Å; F230-C277 HydrophobicContact CG-CB 3.82Å; F230-C277 HydrophobicContact CZ-CB 3.71Å; F230-C400 HydrophobicContact CE1-CB 4.26Å; F230-C400 HydrophobicContact CZ-CB 4.16Å; F230-K401 WeakPolarHBondContact CZ-O 3.49Å
231T95.4Very high95.3Very high5 Ų543.7 Ų43.73%0.03123%0.229CC..BIsolated β-bridgetrans-138.1159.7175.7-1680000112H185 T186 I189 K192 E269H185-T231 CarbonylContact C-O 3.52Å; H185-T231 WeakPolarHBondContact CA-O 3.4Å; T186-T231 HydrophobicContact CG2-CG2 4.14Å; T186-T231 PolarHBondContact N-O 3.32Å; T186-T231 PolarHBondContact O-N 2.66Å; I189-T231 HydrophobicContact CG2-CG2 4.08Å; K192-T231 HydrophobicContact CD-CG2 3.97Å; T231-E269 CarbonylContact C-O 3.53Å; T231-E269 WeakPolarHBondContact CA-O 3.39Å; T231-E269 WeakPolarHBondContact CB-O 3.49Å; T231-E269 PolarHBondContact OG1-O 3.1Å
232G94.4Very high95.5Very high7 Ų741.1 Ų41.17%0.07222%0.22CC..  trans177.6-158.9174.400000111.9D184 E269D184-G232 WeakPolarHBondContact O-CA 3.26Å; D184-G232 WeakPolarHBondContact OD2-CA 3.41Å; G232-E269 PolarHBondContact N-O 2.81Å; G232-E269 VanDerWaalsContact O-CB 3.32Å; G232-E269 WeakPolarHBondContact O-CB 3.45Å
233S94Very high95.7Very high12 Ų1234.2 Ų34.28%0.08418%0.183CC..  trans-58.8131.3178-170.60000111.6D184 W235 H273 D289D184-S233 PolarHBondContact OD2-N 2.88Å; S233-W235 PolarHBondContact O-N 2.95Å; S233-W235 VanDerWaalsContact O-N 3.08Å; S233-W235 VanDerWaalsContact OG-CD1 3.22Å; S233-H273 PolarHBondContact O-CE1 2.85Å; S233-H273 VanDerWaalsContact O-CE1 3.23Å; S233-H273 PolarHBondContact O-NE2 3.46Å; S233-D289 VanDerWaalsContact CB-CB 3.48Å; S233-D289 WeakPolarHBondContact CB-OD2 3.1Å; S233-D289 WeakPolarHBondContact OG-CB 3.41Å; S233-D289 PolarHBondContact OG-OD2 3.34Å
234P94.4Very high95.9Very high22 Ų2235.5 Ų35.514%0.14319%0.186CC..SBendtrans-72.8-1.5177.730.1-30000112.6Q268 E269P234-Q268 HydrophobicContact CB-CB 3.94Å; P234-E269 HydrophobicContact CB-CG 3.87Å; P234-E269 HydrophobicContact CG-CG 3.92Å
235W95.6Very high96.1Very high37 Ų3735.4 Ų35.414%0.1418%0.182CC..  trans-102.9110.2-174.8-38.9112.1000111.7N157 S233 R291N157-W235 HydrophobicContact CB-CH2 4.43Å; N157-W235 HydrophobicContact CB-CZ3 4.15Å; N157-W235 WeakPolarHBondContact ND2-CH2 3.41Å; S233-W235 PolarHBondContact O-N 2.95Å; S233-W235 VanDerWaalsContact O-N 3.08Å; S233-W235 VanDerWaalsContact OG-CD1 3.22Å; W235-R291 VanDerWaalsContact CB-NE 3.31Å; W235-R291 PolarHBondContact O-NH1 3.07Å
236V97.8Very high96.4Very high1 Ų128 Ų281%0.00614%0.144CC..  trans-125.8154.1-165.3-62.50000112.8T155 I183 L238T155-V236 HydrophobicContact CG2-CG2 4.06Å; T155-V236 PolarHBondContact N-O 3.46Å; T155-V236 PolarHBondContact OG1-N 3.31Å; T155-V236 PolarHBondContact OG1-O 3.29Å; I183-V236 HydrophobicContact CB-CG1 4.29Å; I183-V236 HydrophobicContact CD1-CG1 3.98Å; I183-V236 HydrophobicContact CG1-CG1 3.86Å; V236-L238 HydrophobicContact CB-CD1 4.22Å; V236-L238 HydrophobicContact CB-CD2 3.93Å; V236-L238 HydrophobicContact CB-CG 3.81Å; V236-L238 HydrophobicContact CG2-CD1 3.63Å; V236-L238 HydrophobicContact CG2-CD2 4.28Å; V236-L238 HydrophobicContact CG2-CG 3.64Å
237I98.6Very high96.6Very high2 Ų226.7 Ų26.71%0.0112%0.119CC..EExtended strand (participates in β ladder)trans-121.899.9164.9-54.2179.1000107.6W152 F153 V154 F173 N181 F182 M290 F321W152-I237 HydrophobicContact CB-CG2 3.84Å; W152-I237 HydrophobicContact CG-CG2 3.97Å; F153-I237 CarbonylContact O-C 3.58Å; F153-I237 WeakPolarHBondContact O-CA 3.38Å; V154-I237 HydrophobicContact CG1-CG1 4.23Å; V154-I237 HydrophobicContact CG2-CG1 4.29Å; V154-I237 HydrophobicContact CG2-CG2 4.03Å; F173-I237 HydrophobicContact CE1-CG2 4.3Å; F173-I237 HydrophobicContact CZ-CD1 4.1Å; F173-I237 HydrophobicContact CZ-CG2 4.33Å; N181-I237 CarbonylContact C-O 3.26Å; F182-I237 HydrophobicContact CB-CB 4.06Å; F182-I237 HydrophobicContact CD2-CB 4.09Å; F182-I237 HydrophobicContact CD2-CG2 4.13Å; F182-I237 HydrophobicContact CG-CB 4.46Å; F182-I237 PolarHBondContact N-O 3.1Å; F182-I237 PolarHBondContact O-N 3.45Å; I237-M290 HydrophobicContact CD1-CB 4.15Å; I237-M290 HydrophobicContact CD1-CG 3.99Å; I237-F321 HydrophobicContact CD1-CE2 4.22Å
238L98.7Very high96.7Very high0 Ų031.8 Ų31.80%014%0.141CC..EExtended strand (participates in β ladder)trans-107137.2-170.2-60.5-180000110.8W152 F153 N181 I183 V236 F242 I243 F272W152-L238 CarbonylContact C-O 3.55Å; W152-L238 WeakPolarHBondContact CA-O 3.5Å; F153-L238 PolarHBondContact N-O 3.09Å; F153-L238 PolarHBondContact O-N 3.1Å; N181-L238 HydrophobicContact CB-CD2 3.99Å; N181-L238 WeakPolarHBondContact OD1-CA 3.48Å; I183-L238 HydrophobicContact CB-CD2 4.33Å; I183-L238 HydrophobicContact CD1-CD2 4.35Å; V236-L238 HydrophobicContact CB-CD1 4.22Å; V236-L238 HydrophobicContact CB-CD2 3.93Å; V236-L238 HydrophobicContact CB-CG 3.81Å; V236-L238 HydrophobicContact CG2-CD1 3.63Å; V236-L238 HydrophobicContact CG2-CD2 4.28Å; V236-L238 HydrophobicContact CG2-CG 3.64Å; L238-F242 HydrophobicContact CB-CD1 4.13Å; L238-F242 HydrophobicContact CD1-CD1 3.92Å; L238-F242 HydrophobicContact CD1-CE1 3.83Å; L238-F242 HydrophobicContact CD2-CD1 3.96Å; L238-F242 HydrophobicContact CD2-CE1 4.05Å; L238-F242 HydrophobicContact CG-CD1 4.21Å; L238-F242 HydrophobicContact CG-CE1 4.44Å; L238-I243 HydrophobicContact CB-CD1 3.97Å; L238-I243 HydrophobicContact CB-CG1 4.02Å; L238-I243 HydrophobicContact CD1-CD1 3.7Å; L238-I243 HydrophobicContact CG-CD1 4.48Å; L238-F272 HydrophobicContact CD1-CB 4.31Å; L238-F272 HydrophobicContact CD1-CD1 3.68Å; L238-F272 HydrophobicContact CD1-CD2 4.39Å; L238-F272 HydrophobicContact CD1-CE1 4.03Å; L238-F272 HydrophobicContact CD1-CG 3.88Å
239N98Very high96.4Very high4 Ų429.3 Ų29.32%0.02113%0.133CC..EExtended strand (participates in β ladder)trans-66.6153.2175.282.362.1000110.8R178 H179 N181 R241 F242 I243R178-N239 VanDerWaalsContact O-CB 3.29Å; R178-N239 WeakPolarHBondContact O-CB 3.42Å; H179-N239 PolarHBondContact O-ND2 2.79Å; N181-N239 PolarHBondContact ND2-ND2 2.78Å; N181-N239 PolarHBondContact OD1-N 2.85Å; N181-N239 PolarHBondContact OD1-ND2 3.4Å; N239-R241 PolarHBondContact O-N 3.27Å; N239-R241 WeakPolarHBondContact OD1-CA 3.32Å; N239-R241 WeakPolarHBondContact OD1-CB 3.16Å; N239-R241 PolarHBondContact OD1-N 3.14Å; N239-F242 PolarHBondContact O-N 3.2Å; N239-F242 PolarHBondContact OD1-N 3.1Å; N239-I243 PolarHBondContact O-N 3.45Å
240R97.9Very high96.1Very high35 Ų3538.9 Ų38.913%0.13217%0.169CC..Hα-helixtrans-56.2-44.2-178.8-177.7-179.9176.1101.23.2113.8L144 D147 S148 W150 D151 F242 I243 E244L144-R240 HydrophobicContact CD2-CG 4.14Å; D147-R240 PolarHBondContact O-NH1 2.92Å; S148-R240 VanDerWaalsContact C-CZ 3.49Å; S148-R240 VanDerWaalsContact C-NH1 3.32Å; S148-R240 PolarHBondContact O-NE 3.06Å; S148-R240 PolarHBondContact O-NH1 3.13Å; S148-R240 PolarHBondContact O-NH2 3.05Å; W150-R240 HydrophobicContact CD2-CG 4.43Å; W150-R240 HydrophobicContact CE3-CB 3.79Å; W150-R240 HydrophobicContact CE3-CG 4.05Å; W150-R240 HydrophobicContact CH2-CB 4.03Å; W150-R240 HydrophobicContact CH2-CG 3.81Å; W150-R240 HydrophobicContact CZ2-CG 4.22Å; W150-R240 VanDerWaalsContact CZ3-CA 3.42Å; W150-R240 HydrophobicContact CZ3-CB 3.46Å; W150-R240 VanDerWaalsContact CZ3-CB 3.46Å; W150-R240 HydrophobicContact CZ3-CG 3.73Å; W150-R240 WeakPolarHBondContact O-CD 3.04Å; D151-R240 PolarHBondContact O-N 3.47Å; R240-F242 VanDerWaalsContact C-N 3.28Å; R240-F242 PolarHBondContact O-N 2.69Å; R240-I243 CarbonylContact O-C 3.5Å; R240-I243 WeakPolarHBondContact O-CB 3.34Å; R240-I243 PolarHBondContact O-N 3.24Å; R240-I243 VanDerWaalsContact O-N 3.12Å; R240-E244 HydrophobicContact CG-CG 4.26Å; R240-E244 IonicContact CZ-OE1 3.57Å; R240-E244 IonicContact NE-OE1 2.65Å; R240-E244 PolarHBondContact NE-OE1 3.5Å; R240-E244 IonicContact NH2-OE1 3.66Å; R240-E244 PolarHBondContact NH2-OE1 3.14Å; R240-E244 WeakPolarHBondContact O-CG 3.29Å; R240-E244 PolarHBondContact O-N 2.9Å
241R97Very high95.8Very high189 Ų18942.2 Ų42.271%0.71319%0.185SC*.Hα-helixtrans-62.4-36.5-177.7-71.5-174.2171.5-176.4-2.2112.1N239 E244 Y245 F281N239-R241 PolarHBondContact O-N 3.27Å; N239-R241 WeakPolarHBondContact OD1-CA 3.32Å; N239-R241 WeakPolarHBondContact OD1-CB 3.16Å; N239-R241 PolarHBondContact OD1-N 3.14Å; R241-E244 PolarHBondContact O-N 3.03Å; R241-Y245 WeakPolarHBondContact O-CB 3.48Å; R241-Y245 PolarHBondContact O-N 3.26Å; R241-F281 HydrophobicContact CB-CE1 4.13Å; R241-F281 HydrophobicContact CB-CZ 4.42Å
242F98Very high95.6Very high0 Ų047.2 Ų47.20%021%0.211CC..Hα-helixtrans-67.6-40.5175.3179.8-119.9000111.3L238 N239 R240 Y245 C246 F272 V275 V276 F281L238-F242 HydrophobicContact CB-CD1 4.13Å; L238-F242 HydrophobicContact CD1-CD1 3.92Å; L238-F242 HydrophobicContact CD1-CE1 3.83Å; L238-F242 HydrophobicContact CD2-CD1 3.96Å; L238-F242 HydrophobicContact CD2-CE1 4.05Å; L238-F242 HydrophobicContact CG-CD1 4.21Å; L238-F242 HydrophobicContact CG-CE1 4.44Å; N239-F242 PolarHBondContact O-N 3.2Å; N239-F242 PolarHBondContact OD1-N 3.1Å; R240-F242 VanDerWaalsContact C-N 3.28Å; R240-F242 PolarHBondContact O-N 2.69Å; F242-Y245 HydrophobicContact CD2-CD1 4.26Å; F242-Y245 HydrophobicContact CE2-CD1 4.25Å; F242-Y245 WeakPolarHBondContact O-CB 3.41Å; F242-Y245 PolarHBondContact O-N 2.88Å; F242-C246 PolarHBondContact O-N 3.24Å; F242-C246 PolarHBondContact O-SG 2.59Å; F242-C246 VanDerWaalsContact O-SG 3.39Å; F242-F272 HydrophobicContact CE1-CB 4.41Å; F242-F272 HydrophobicContact CE1-CD1 4.02Å; F242-F272 HydrophobicContact CZ-CD1 4.48Å; F242-V275 HydrophobicContact CE2-CB 4.47Å; F242-V275 HydrophobicContact CE2-CG1 3.9Å; F242-V275 HydrophobicContact CZ-CB 4.24Å; F242-V275 HydrophobicContact CZ-CG1 4.11Å; F242-V276 HydrophobicContact CD2-CG2 4.25Å; F242-V276 HydrophobicContact CE1-CB 4.11Å; F242-V276 HydrophobicContact CE1-CG2 4.37Å; F242-V276 HydrophobicContact CE2-CB 3.73Å; F242-V276 HydrophobicContact CE2-CG2 3.93Å; F242-V276 HydrophobicContact CZ-CB 3.5Å; F242-V276 HydrophobicContact CZ-CG2 4.01Å; F242-F281 HydrophobicContact CB-CD1 3.86Å; F242-F281 HydrophobicContact CB-CE1 3.85Å; F242-F281 HydrophobicContact CB-CG 4.4Å; F242-F281 HydrophobicContact CB-CZ 4.4Å; F242-F281 HydrophobicContact CD2-CB 3.99Å; F242-F281 AromaticContact CD2-CD1 3.97Å; F242-F281 HydrophobicContact CD2-CD1 3.97Å; F242-F281 AromaticContact CD2-CD2 3.75Å; F242-F281 HydrophobicContact CD2-CD2 3.75Å; F242-F281 HydrophobicContact CD2-CE1 4.38Å; F242-F281 HydrophobicContact CD2-CE2 4.19Å; F242-F281 AromaticContact CD2-CG 3.62Å; F242-F281 HydrophobicContact CD2-CG 3.62Å; F242-F281 HydrophobicContact CD2-CZ 4.48Å; F242-F281 HydrophobicContact CE2-CB 4.42Å; F242-F281 HydrophobicContact CE2-CD2 4.38Å; F242-F281 HydrophobicContact CE2-CG 4.4Å; F242-F281 HydrophobicContact CG-CD1 4.32Å; F242-F281 HydrophobicContact CG-CG 4.39Å
243I98.3Very high95.7Very high1 Ų148.9 Ų48.91%0.00522%0.218CC..Hα-helixtrans-63.9-41.8172.8-66.4-63.3000111.7A140 L144 W150 F153 L238 N239 R240 Y245 C246 I247 F272A140-I243 HydrophobicContact CB-CG2 3.81Å; L144-I243 HydrophobicContact CD1-CG2 3.82Å; L144-I243 HydrophobicContact CD2-CG2 4.35Å; L144-I243 HydrophobicContact CG-CG2 4.11Å; W150-I243 HydrophobicContact CH2-CB 4.03Å; W150-I243 HydrophobicContact CH2-CG1 4.29Å; W150-I243 HydrophobicContact CH2-CG2 3.92Å; F153-I243 HydrophobicContact CB-CD1 4.22Å; F153-I243 HydrophobicContact CB-CG1 3.75Å; F153-I243 HydrophobicContact CD1-CD1 3.76Å; F153-I243 HydrophobicContact CD1-CG1 4.26Å; F153-I243 HydrophobicContact CE1-CD1 4.3Å; F153-I243 HydrophobicContact CG-CD1 4.04Å; F153-I243 HydrophobicContact CG-CG1 4.07Å; L238-I243 HydrophobicContact CB-CD1 3.97Å; L238-I243 HydrophobicContact CB-CG1 4.02Å; L238-I243 HydrophobicContact CD1-CD1 3.7Å; L238-I243 HydrophobicContact CG-CD1 4.48Å; N239-I243 PolarHBondContact O-N 3.45Å; R240-I243 CarbonylContact O-C 3.5Å; R240-I243 WeakPolarHBondContact O-CB 3.34Å; R240-I243 PolarHBondContact O-N 3.24Å; R240-I243 VanDerWaalsContact O-N 3.12Å; I243-Y245 VanDerWaalsContact C-N 3.28Å; I243-Y245 PolarHBondContact O-N 3.49Å; I243-C246 PolarHBondContact O-N 3.33Å; I243-I247 HydrophobicContact CG2-CG1 4.42Å; I243-I247 WeakPolarHBondContact O-CG1 3.46Å; I243-I247 PolarHBondContact O-N 2.94Å; I243-F272 HydrophobicContact CD1-CE1 4.29Å
244E97.6Very high95.8Very high66 Ų6648.4 Ų48.431%0.30822%0.215SC..Hα-helixtrans-59.4-39.7172.6-73172.8163.800111.4L144 R240 R241 I247 F248 G249L144-E244 HydrophobicContact CD1-CG 4.39Å; L144-E244 HydrophobicContact CD2-CG 3.61Å; R240-E244 HydrophobicContact CG-CG 4.26Å; R240-E244 IonicContact CZ-OE1 3.57Å; R240-E244 IonicContact NE-OE1 2.65Å; R240-E244 PolarHBondContact NE-OE1 3.5Å; R240-E244 IonicContact NH2-OE1 3.66Å; R240-E244 PolarHBondContact NH2-OE1 3.14Å; R240-E244 WeakPolarHBondContact O-CG 3.29Å; R240-E244 PolarHBondContact O-N 2.9Å; R241-E244 PolarHBondContact O-N 3.03Å; E244-I247 PolarHBondContact O-N 2.73Å; E244-F248 HydrophobicContact CB-CD2 4.45Å; E244-F248 HydrophobicContact CG-CD2 4.5Å; E244-F248 WeakPolarHBondContact O-CA 3.42Å; E244-F248 WeakPolarHBondContact O-CB 3.2Å; E244-F248 PolarHBondContact O-N 3.36Å; E244-G249 PolarHBondContact O-N 2.89Å
245Y97.7Very high95.9Very high23 Ų2352.8 Ų52.89%0.0923%0.228CC..Hα-helixtrans-64-45.2174.2176-115.3000112.4R241 F242 I243 I247 G249 E251 P254 V275 F281R241-Y245 WeakPolarHBondContact O-CB 3.48Å; R241-Y245 PolarHBondContact O-N 3.26Å; F242-Y245 HydrophobicContact CD2-CD1 4.26Å; F242-Y245 HydrophobicContact CE2-CD1 4.25Å; F242-Y245 WeakPolarHBondContact O-CB 3.41Å; F242-Y245 PolarHBondContact O-N 2.88Å; I243-Y245 VanDerWaalsContact C-N 3.28Å; I243-Y245 PolarHBondContact O-N 3.49Å; Y245-I247 VanDerWaalsContact C-N 3.29Å; Y245-I247 PolarHBondContact O-N 3.16Å; Y245-G249 WeakPolarHBondContact O-CA 3.42Å; Y245-G249 PolarHBondContact O-N 3.42Å; Y245-E251 HydrophobicContact CE2-CB 4.31Å; Y245-E251 PolarHBondContact OH-OE2 3.16Å; Y245-E251 VanDerWaalsContact OH-OE2 3.06Å; Y245-P254 HydrophobicContact CD1-CG 3.95Å; Y245-P254 HydrophobicContact CD2-CG 4.4Å; Y245-P254 HydrophobicContact CE1-CG 3.52Å; Y245-P254 HydrophobicContact CE2-CG 3.98Å; Y245-P254 HydrophobicContact CG-CG 4.38Å; Y245-V275 HydrophobicContact CD1-CG1 4.14Å; Y245-V275 HydrophobicContact CE1-CG1 3.77Å; Y245-F281 AromaticContact CD1-CD2 3.87Å; Y245-F281 HydrophobicContact CD1-CD2 3.87Å; Y245-F281 AromaticContact CD1-CE2 3.6Å; Y245-F281 HydrophobicContact CD1-CE2 3.6Å; Y245-F281 HydrophobicContact CD2-CE2 4.23Å; Y245-F281 HydrophobicContact CE1-CD2 4.32Å; Y245-F281 HydrophobicContact CE1-CE2 4.32Å; Y245-F281 HydrophobicContact CG-CD2 4.28Å; Y245-F281 AromaticContact CG-CE2 3.53Å; Y245-F281 HydrophobicContact CG-CE2 3.53Å; Y245-F281 HydrophobicContact CG-CZ 4.32Å
246C97.9Very high95.9Very high13 Ų1354.7 Ų54.79%0.08824%0.244CC..Hα-helixtrans-61.8-34.5177-70.10000113.3F242 I243F242-C246 PolarHBondContact O-N 3.24Å; F242-C246 PolarHBondContact O-SG 2.59Å; F242-C246 VanDerWaalsContact O-SG 3.39Å; I243-C246 PolarHBondContact O-N 3.33Å
247I97.3Very high95.9Very high43 Ų4354.7 Ų54.722%0.22124%0.244CC..Hα-helixtrans-93.3-43.4-175.4-58.9-57.7000112.6L137 A141 L144 I243 E244 Y245L137-I247 HydrophobicContact CB-CD1 4.25Å; L137-I247 HydrophobicContact CD2-CD1 3.94Å; L137-I247 WeakPolarHBondContact O-CD1 3.17Å; A141-I247 HydrophobicContact CB-CD1 4.29Å; A141-I247 HydrophobicContact CB-CG1 4.48Å; A141-I247 HydrophobicContact CB-CG2 3.96Å; L144-I247 HydrophobicContact CD1-CB 4.05Å; L144-I247 HydrophobicContact CD1-CG1 3.96Å; L144-I247 HydrophobicContact CD1-CG2 4.31Å; I243-I247 HydrophobicContact CG2-CG1 4.42Å; I243-I247 WeakPolarHBondContact O-CG1 3.46Å; I243-I247 PolarHBondContact O-N 2.94Å; E244-I247 PolarHBondContact O-N 2.73Å; Y245-I247 VanDerWaalsContact C-N 3.29Å; Y245-I247 PolarHBondContact O-N 3.16Å
248F95.4Very high95.7Very high132 Ų13257.5 Ų57.558%0.57926%0.259SS*.Hα-helixtrans-115.9-4.2-171.1-53.9-52.9000114.1L144 E244 W250L144-F248 HydrophobicContact CB-CE2 4.34Å; L144-F248 HydrophobicContact CD1-CD2 4.29Å; L144-F248 HydrophobicContact CD1-CE2 3.65Å; L144-F248 HydrophobicContact CD1-CZ 4.17Å; E244-F248 HydrophobicContact CB-CD2 4.45Å; E244-F248 HydrophobicContact CG-CD2 4.5Å; E244-F248 WeakPolarHBondContact O-CA 3.42Å; E244-F248 WeakPolarHBondContact O-CB 3.2Å; E244-F248 PolarHBondContact O-N 3.36Å; F248-W250 PolarHBondContact O-N 2.87Å
249G90Very high95.6Very high8 Ų864.3 Ų64.38%0.08229%0.293CS..  trans-47.5128.1-175.900000111.9E244 Y245 E251 R255E244-G249 PolarHBondContact O-N 2.89Å; Y245-G249 WeakPolarHBondContact O-CA 3.42Å; Y245-G249 PolarHBondContact O-N 3.42Å; G249-E251 VanDerWaalsContact C-N 3.29Å; G249-R255 PolarHBondContact O-NH1 3.5Å; G249-R255 PolarHBondContact O-NH2 2.88Å
250W87.3Confident95.5Very high216 Ų21665.8 Ų65.882%0.81830%0.298SS*.SBendtrans-74-27-179.659.9-82.6000111.4F248F248-W250 PolarHBondContact O-N 2.87Å
251E90.3Very high95.4Very high71 Ų7164.1 Ų64.133%0.33229%0.292SS..SBendtrans-65.6155.3171.3-58.5-172.2140.900111.9Y245 G249 R255Y245-E251 HydrophobicContact CE2-CB 4.31Å; Y245-E251 PolarHBondContact OH-OE2 3.16Å; Y245-E251 VanDerWaalsContact OH-OE2 3.06Å; G249-E251 VanDerWaalsContact C-N 3.29Å; E251-R255 PolarHBondContact O-NH1 3.39Å
252N91.8Very high95.3Very high109 Ų10957.3 Ų57.358%0.58327%0.271SS*.SBendtrans-83.1-15.5-177.7-75.6-28.5000113.5R255 T256N252-R255 PolarHBondContact O-N 3.32Å; N252-T256 WeakPolarHBondContact O-CB 3.44Å; N252-T256 PolarHBondContact O-N 3.42Å; N252-T256 PolarHBondContact O-OG1 2.85Å
253L96.1Very high95.1Very high42 Ų4259.9 Ų59.922%0.2229%0.285CS..Hα-helixtrans-53.5-52.3-172.7-17881.2000113.1R255 T256 L257 N278L253-R255 VanDerWaalsContact C-N 3.25Å; L253-R255 PolarHBondContact O-N 3.33Å; L253-T256 PolarHBondContact O-N 2.72Å; L253-L257 HydrophobicContact CD1-CD1 3.53Å; L253-L257 HydrophobicContact CD1-CD2 4.36Å; L253-L257 HydrophobicContact CG-CD1 4.09Å; L253-L257 HydrophobicContact CG-CD2 4.4Å; L253-L257 WeakPolarHBondContact O-CB 3.16Å; L253-L257 WeakPolarHBondContact O-CD1 3.36Å; L253-L257 PolarHBondContact O-N 2.78Å; L253-N278 HydrophobicContact CD1-CB 4.37Å; L253-N278 HydrophobicContact CD2-CB 4.09Å; L253-N278 WeakPolarHBondContact CD2-O 3.37Å
254P97.1Very high95Very high3 Ų359.9 Ų59.92%0.01929%0.285CS..Hα-helixtrans-63.2-31-179.8-21.834.9000113.3Y245 L258 Y271 V275Y245-P254 HydrophobicContact CD1-CG 3.95Å; Y245-P254 HydrophobicContact CD2-CG 4.4Å; Y245-P254 HydrophobicContact CE1-CG 3.52Å; Y245-P254 HydrophobicContact CE2-CG 3.98Å; Y245-P254 HydrophobicContact CG-CG 4.38Å; P254-L258 VanDerWaalsContact O-CB 3.24Å; P254-L258 WeakPolarHBondContact O-CB 3.36Å; P254-L258 PolarHBondContact O-N 2.95Å; P254-Y271 WeakPolarHBondContact O-CE2 3.36Å; P254-Y271 PolarHBondContact O-OH 3.13Å; P254-Y271 VanDerWaalsContact O-OH 3.05Å; P254-V275 HydrophobicContact CB-CG1 4.26Å; P254-V275 HydrophobicContact CG-CG1 4.07Å
255R96.1Very high94.8Very high113 Ų11357.8 Ų57.843%0.42628%0.275SS..Hα-helixtrans-75.6-46.5178.2-62.7-174.8-173.685.310.8111.5G249 E251 N252 L253 L258 M259G249-R255 PolarHBondContact O-NH1 3.5Å; G249-R255 PolarHBondContact O-NH2 2.88Å; E251-R255 PolarHBondContact O-NH1 3.39Å; N252-R255 PolarHBondContact O-N 3.32Å; L253-R255 VanDerWaalsContact C-N 3.25Å; L253-R255 PolarHBondContact O-N 3.33Å; R255-L258 WeakPolarHBondContact O-CB 3.43Å; R255-L258 PolarHBondContact O-N 3.49Å; R255-M259 WeakPolarHBondContact O-CG 3.49Å; R255-M259 PolarHBondContact O-N 3.03Å
256T95.6Very high94.6Very high77 Ų7757.6 Ų57.647%0.47228%0.276SS..Hα-helixtrans-61.8-45.2177.6-61.40000110.8N252 L253 L258 M259 Y260N252-T256 WeakPolarHBondContact O-CB 3.44Å; N252-T256 PolarHBondContact O-N 3.42Å; N252-T256 PolarHBondContact O-OG1 2.85Å; L253-T256 PolarHBondContact O-N 2.72Å; T256-L258 VanDerWaalsContact C-N 3.33Å; T256-L258 PolarHBondContact O-N 3.38Å; T256-M259 WeakPolarHBondContact O-CB 3.11Å; T256-M259 PolarHBondContact O-N 3Å; T256-Y260 PolarHBondContact O-N 2.94Å; T256-Y260 VanDerWaalsContact O-N 3.07Å
257L96.9Very high94.5Very high1 Ų157 Ų571%0.00527%0.272CS..Hα-helixtrans-64.1-39.8174.7-89.859.1000110.7F227 L253 M259 Y260 F261 Y271 V275F227-L257 HydrophobicContact CB-CD1 4.45Å; F227-L257 HydrophobicContact CD1-CD1 3.93Å; F227-L257 HydrophobicContact CD1-CG 4.49Å; F227-L257 HydrophobicContact CD2-CD1 4.33Å; F227-L257 HydrophobicContact CD2-CD2 4.31Å; F227-L257 HydrophobicContact CD2-CG 4.26Å; F227-L257 HydrophobicContact CE1-CD1 4.24Å; F227-L257 HydrophobicContact CE1-CG 4.45Å; F227-L257 HydrophobicContact CE2-CG 4.23Å; F227-L257 HydrophobicContact CG-CD1 3.98Å; F227-L257 HydrophobicContact CG-CG 4.4Å; F227-L257 HydrophobicContact CZ-CG 4.32Å; L253-L257 HydrophobicContact CD1-CD1 3.53Å; L253-L257 HydrophobicContact CD1-CD2 4.36Å; L253-L257 HydrophobicContact CG-CD1 4.09Å; L253-L257 HydrophobicContact CG-CD2 4.4Å; L253-L257 WeakPolarHBondContact O-CB 3.16Å; L253-L257 WeakPolarHBondContact O-CD1 3.36Å; L253-L257 PolarHBondContact O-N 2.78Å; L257-M259 VanDerWaalsContact C-N 3.31Å; L257-M259 PolarHBondContact O-N 2.74Å; L257-Y260 WeakPolarHBondContact O-CB 3.2Å; L257-Y260 PolarHBondContact O-N 3.09Å; L257-Y260 VanDerWaalsContact O-N 3.12Å; L257-F261 HydrophobicContact CB-CD2 4.2Å; L257-F261 HydrophobicContact CB-CE2 4.42Å; L257-F261 HydrophobicContact CG-CE2 4.4Å; L257-F261 WeakPolarHBondContact O-CB 3.31Å; L257-F261 WeakPolarHBondContact O-CD2 3.46Å; L257-F261 PolarHBondContact O-N 3.18Å; L257-Y271 HydrophobicContact CB-CD2 4.46Å; L257-Y271 HydrophobicContact CB-CE2 4.28Å; L257-V275 HydrophobicContact CB-CG2 4.01Å; L257-V275 HydrophobicContact CD2-CB 4.33Å; L257-V275 HydrophobicContact CD2-CG2 3.58Å; L257-V275 HydrophobicContact CG-CG2 4.45Å
258L96Very high94.4Very high62 Ų6257.4 Ų57.433%0.32527%0.273SS..Hα-helixtrans-60.8-41.3177-176.659.7000111.9L133 L137 P254 R255 T256 Y260 F261 T262 Y271L133-L258 HydrophobicContact CD2-CD1 3.98Å; L133-L258 HydrophobicContact CG-CD1 4.5Å; L137-L258 HydrophobicContact CD1-CD1 3.62Å; L137-L258 HydrophobicContact CD1-CD2 4.18Å; P254-L258 VanDerWaalsContact O-CB 3.24Å; P254-L258 WeakPolarHBondContact O-CB 3.36Å; P254-L258 PolarHBondContact O-N 2.95Å; R255-L258 WeakPolarHBondContact O-CB 3.43Å; R255-L258 PolarHBondContact O-N 3.49Å; T256-L258 VanDerWaalsContact C-N 3.33Å; T256-L258 PolarHBondContact O-N 3.38Å; L258-Y260 VanDerWaalsContact C-N 3.34Å; L258-Y260 PolarHBondContact O-N 3.38Å; L258-F261 PolarHBondContact O-N 3.33Å; L258-T262 PolarHBondContact O-N 2.61Å; L258-T262 PolarHBondContact O-OG1 3.48Å; L258-Y271 HydrophobicContact CB-CD2 4.48Å; L258-Y271 HydrophobicContact CB-CE2 3.71Å; L258-Y271 HydrophobicContact CD1-CD2 4.39Å; L258-Y271 HydrophobicContact CD1-CE2 4.13Å
259M95.1Very high94.4Very high143 Ų14352.7 Ų52.770%0.70425%0.253SS*.Hα-helixtrans-59.3-46173.5-68.5177.167.200111.1R255 T256 L257 T262R255-M259 WeakPolarHBondContact O-CG 3.49Å; R255-M259 PolarHBondContact O-N 3.03Å; T256-M259 WeakPolarHBondContact O-CB 3.11Å; T256-M259 PolarHBondContact O-N 3Å; L257-M259 VanDerWaalsContact C-N 3.31Å; L257-M259 PolarHBondContact O-N 2.74Å; M259-T262 WeakPolarHBondContact O-CB 3.45Å; M259-T262 PolarHBondContact O-N 3.14Å
260Y95.8Very high94.7Very high34 Ų3452.4 Ų52.413%0.13325%0.249CC..Hα-helixtrans-62.8-47.8177.9179.6-88.9000112.6V197 R221 P224 F227 F229 T256 L257 L258 T262 N263 V264V197-Y260 VanDerWaalsContact CG1-OH 3.3Å; V197-Y260 WeakPolarHBondContact CG1-OH 3.47Å; V197-Y260 PolarHBondContact O-OH 2.87Å; R221-Y260 PolarHBondContact NE-OH 3.4Å; R221-Y260 PolarHBondContact NH2-OH 3.34Å; P224-Y260 HydrophobicContact CB-CE2 4.07Å; P224-Y260 VanDerWaalsContact CD-OH 3.23Å; P224-Y260 WeakPolarHBondContact CD-OH 3.18Å; P224-Y260 HydrophobicContact CG-CE1 4.26Å; P224-Y260 HydrophobicContact CG-CE2 4.02Å; F227-Y260 HydrophobicContact CE1-CD1 4.28Å; F227-Y260 HydrophobicContact CE1-CD2 4.31Å; F227-Y260 HydrophobicContact CE1-CG 4.1Å; F227-Y260 AromaticContact CZ-CD1 3.65Å; F227-Y260 HydrophobicContact CZ-CD1 3.65Å; F227-Y260 HydrophobicContact CZ-CD2 4.41Å; F227-Y260 AromaticContact CZ-CE1 3.92Å; F227-Y260 HydrophobicContact CZ-CE1 3.92Å; F227-Y260 AromaticContact CZ-CG 3.93Å; F227-Y260 HydrophobicContact CZ-CG 3.93Å; F229-Y260 HydrophobicContact CD2-CE1 4.2Å; F229-Y260 HydrophobicContact CE2-CE1 4.1Å; T256-Y260 PolarHBondContact O-N 2.94Å; T256-Y260 VanDerWaalsContact O-N 3.07Å; L257-Y260 WeakPolarHBondContact O-CB 3.2Å; L257-Y260 PolarHBondContact O-N 3.09Å; L257-Y260 VanDerWaalsContact O-N 3.12Å; L258-Y260 VanDerWaalsContact C-N 3.34Å; L258-Y260 PolarHBondContact O-N 3.38Å; Y260-T262 PolarHBondContact O-N 2.66Å; Y260-N263 PolarHBondContact O-N 2.83Å; Y260-V264 HydrophobicContact CD1-CG2 3.64Å; Y260-V264 HydrophobicContact CE1-CG2 3.31Å
261F96.1Very high95.2Very high0 Ų042.1 Ų42.10%021%0.211CC..Hα-helixtrans-69.9-10.7-179-83-75.1000113.5L133 F227 F229 L257 L258 N263 V264 P267 G270 Y271 S274L133-F261 HydrophobicContact CD2-CB 4.28Å; F227-F261 HydrophobicContact CE2-CE2 4.36Å; F229-F261 HydrophobicContact CD2-CE1 4.36Å; F229-F261 AromaticContact CD2-CZ 3.97Å; F229-F261 HydrophobicContact CD2-CZ 3.97Å; F229-F261 HydrophobicContact CE2-CD1 4.5Å; F229-F261 AromaticContact CE2-CE1 3.41Å; F229-F261 HydrophobicContact CE2-CE1 3.41Å; F229-F261 VanDerWaalsContact CE2-CE1 3.41Å; F229-F261 AromaticContact CE2-CZ 3.46Å; F229-F261 HydrophobicContact CE2-CZ 3.46Å; F229-F261 VanDerWaalsContact CE2-CZ 3.46Å; F229-F261 AromaticContact CZ-CE1 3.67Å; F229-F261 HydrophobicContact CZ-CE1 3.67Å; F229-F261 AromaticContact CZ-CZ 3.97Å; F229-F261 HydrophobicContact CZ-CZ 3.97Å; L257-F261 HydrophobicContact CB-CD2 4.2Å; L257-F261 HydrophobicContact CB-CE2 4.42Å; L257-F261 HydrophobicContact CG-CE2 4.4Å; L257-F261 WeakPolarHBondContact O-CB 3.31Å; L257-F261 WeakPolarHBondContact O-CD2 3.46Å; L257-F261 PolarHBondContact O-N 3.18Å; L258-F261 PolarHBondContact O-N 3.33Å; F261-N263 PolarHBondContact O-N 3.34Å; F261-V264 HydrophobicContact CD1-CB 3.9Å; F261-V264 HydrophobicContact CD1-CG1 4Å; F261-V264 HydrophobicContact CD1-CG2 3.81Å; F261-V264 HydrophobicContact CE1-CB 4.46Å; F261-V264 HydrophobicContact CE1-CG1 4.13Å; F261-V264 HydrophobicContact CE1-CG2 4.24Å; F261-V264 HydrophobicContact CG-CG2 4.35Å; F261-V264 PolarHBondContact O-N 2.9Å; F261-P267 HydrophobicContact CB-CB 4.01Å; F261-P267 HydrophobicContact CD1-CB 3.94Å; F261-P267 HydrophobicContact CG-CB 4.44Å; F261-P267 WeakPolarHBondContact O-CB 3.13Å; F261-G270 VanDerWaalsContact CZ-O 3.3Å; F261-G270 WeakPolarHBondContact CZ-O 3.48Å; F261-Y271 HydrophobicContact CB-CD2 4.31Å; F261-Y271 AromaticContact CD2-CD2 3.9Å; F261-Y271 HydrophobicContact CD2-CD2 3.9Å; F261-Y271 HydrophobicContact CG-CD2 4.3Å; F261-S274 WeakPolarHBondContact CZ-OG 3.26Å
262T94.7Very high95.6Very high46 Ų4639 Ų3928%0.28220%0.196SC..THydrogen-bonded Turntrans-61.5-29.8173.8-62.10000112S130 I206 L258 M259 Y260S130-T262 WeakPolarHBondContact CB-O 3.36Å; S130-T262 PolarHBondContact OG-O 2.82Å; I206-T262 HydrophobicContact CD1-CG2 4.14Å; L258-T262 PolarHBondContact O-N 2.61Å; L258-T262 PolarHBondContact O-OG1 3.48Å; M259-T262 WeakPolarHBondContact O-CB 3.45Å; M259-T262 PolarHBondContact O-N 3.14Å; Y260-T262 PolarHBondContact O-N 2.66Å
263N94.8Very high95.8Very high54 Ų5433.9 Ų33.929%0.28917%0.168SC..THydrogen-bonded Turntrans-116.315.7-178.4-58.4115.5000114.8I200 I201 Y260 F261I200-N263 HydrophobicContact CG2-CB 4.04Å; I201-N263 PolarHBondContact N-O 2.98Å; I201-N263 VanDerWaalsContact O-CA 3.22Å; I201-N263 WeakPolarHBondContact O-CA 3.41Å; I201-N263 WeakPolarHBondContact O-CB 3.28Å; I201-N263 PolarHBondContact O-ND2 3.45Å; Y260-N263 PolarHBondContact O-N 2.83Å; F261-N263 PolarHBondContact O-N 3.34Å
264V94.9Very high95.9Very high1 Ų131.9 Ų31.91%0.00616%0.158CC..SBendtrans-89.7145.8173174.90000109.5I201 F229 Y260 F261 P267I201-V264 WeakPolarHBondContact CD1-O 3.32Å; F229-V264 HydrophobicContact CE2-CG1 4.27Å; F229-V264 HydrophobicContact CE2-CG2 4.49Å; F229-V264 HydrophobicContact CZ-CG1 4.19Å; Y260-V264 HydrophobicContact CD1-CG2 3.64Å; Y260-V264 HydrophobicContact CE1-CG2 3.31Å; F261-V264 HydrophobicContact CD1-CB 3.9Å; F261-V264 HydrophobicContact CD1-CG1 4Å; F261-V264 HydrophobicContact CD1-CG2 3.81Å; F261-V264 HydrophobicContact CE1-CB 4.46Å; F261-V264 HydrophobicContact CE1-CG1 4.13Å; F261-V264 HydrophobicContact CE1-CG2 4.24Å; F261-V264 HydrophobicContact CG-CG2 4.35Å; F261-V264 PolarHBondContact O-N 2.9Å; V264-P267 WeakPolarHBondContact O-CD 3.2Å
265M93.8Very high95.9Very high22 Ų2231.7 Ų31.711%0.10816%0.157CC..SBendtrans-73.1136168.8-68.1-143.5-78.500111.5M128 Q195 R196 P199 I201 F214M128-M265 HydrophobicContact CE-CB 4.48Å; M128-M265 HydrophobicContact CE-SD 3.79Å; Q195-M265 WeakPolarHBondContact O-CE 3.47Å; R196-M265 HydrophobicContact CB-CB 4.38Å; R196-M265 PolarHBondContact O-N 3.24Å; P199-M265 HydrophobicContact CB-CE 4.46Å; I201-M265 HydrophobicContact CB-CG 4.3Å; I201-M265 HydrophobicContact CD1-CB 4.44Å; I201-M265 HydrophobicContact CD1-CG 3.92Å; I201-M265 HydrophobicContact CG1-CG 3.96Å; I201-M265 HydrophobicContact CG2-CG 3.41Å; I201-M265 VanDerWaalsContact CG2-CG 3.41Å; I201-M265 HydrophobicContact CG2-SD 3.8Å; F214-M265 HydrophobicContact CE2-SD 4Å; F214-M265 HydrophobicContact CZ-SD 4.31Å
266L94Very high96Very high20 Ų2026.3 Ų26.311%0.10514%0.137CC..SBendtrans55.255.1-178.3-60165.9000112.8P127 M128 Q268 E269 M301P127-L266 WeakPolarHBondContact O-CD2 3.49Å; M128-L266 HydrophobicContact CE-CD1 4.4Å; M128-L266 HydrophobicContact CE-CD2 4.48Å; M128-L266 HydrophobicContact CE-CG 4.15Å; M128-L266 PolarHBondContact O-N 3.03Å; M128-L266 HydrophobicContact SD-CD1 4.41Å; M128-L266 HydrophobicContact SD-CD2 3.62Å; M128-L266 HydrophobicContact SD-CG 3.93Å; L266-Q268 PolarHBondContact O-N 3.46Å; L266-Q268 VanDerWaalsContact O-N 3.12Å; L266-E269 HydrophobicContact CB-CB 4.34Å; L266-E269 HydrophobicContact CB-CG 4.21Å; L266-E269 WeakPolarHBondContact O-CB 3.06Å; L266-E269 PolarHBondContact O-N 3.09Å; L266-M301 HydrophobicContact CD1-CE 3.91Å
267P95.7Very high96.1Very high1 Ų122.7 Ų22.71%0.00611%0.114CC..G310 helixtrans-67.5-19.2-172.327.9-33.7000113.8S130 L133 F261 V264 E269 G270 Y271S130-P267 VanDerWaalsContact CA-CG 3.47Å; L133-P267 HydrophobicContact CB-CG 4.29Å; L133-P267 HydrophobicContact CD2-CB 4.01Å; F261-P267 HydrophobicContact CB-CB 4.01Å; F261-P267 HydrophobicContact CD1-CB 3.94Å; F261-P267 HydrophobicContact CG-CB 4.44Å; F261-P267 WeakPolarHBondContact O-CB 3.13Å; V264-P267 WeakPolarHBondContact O-CD 3.2Å; P267-E269 PolarHBondContact O-N 3.34Å; P267-G270 PolarHBondContact O-N 3.38Å; P267-G270 VanDerWaalsContact O-N 3.17Å; P267-Y271 WeakPolarHBondContact O-CB 3.36Å; P267-Y271 PolarHBondContact O-N 3.23Å
268Q94.7Very high96Very high50 Ų5024.5 Ų24.523%0.23412%0.124CC..G310 helixtrans-62.6-30.8170.4-71.2-175-35.200112.5G132 L133 T136 P234 L266 G270G132-Q268 PolarHBondContact O-NE2 2.95Å; L133-Q268 HydrophobicContact CB-CG 3.91Å; T136-Q268 PolarHBondContact OG1-NE2 3.04Å; T136-Q268 VanDerWaalsContact OG1-NE2 3.12Å; P234-Q268 HydrophobicContact CB-CB 3.94Å; L266-Q268 PolarHBondContact O-N 3.46Å; L266-Q268 VanDerWaalsContact O-N 3.12Å; Q268-G270 PolarHBondContact O-N 2.97Å
269E95.8Very high96Very high34 Ų3422.1 Ų22.116%0.15911%0.112CC..G310 helixtrans-79.41.1176.7-65.1-172.6-16300113R196 T231 G232 P234 L266 P267 H273R196-E269 IonicContact CZ-OE2 3.98Å; R196-E269 IonicContact NH1-OE2 3Å; R196-E269 PolarHBondContact NH1-OE2 3.44Å; T231-E269 CarbonylContact C-O 3.53Å; T231-E269 WeakPolarHBondContact CA-O 3.39Å; T231-E269 WeakPolarHBondContact CB-O 3.49Å; T231-E269 PolarHBondContact OG1-O 3.1Å; G232-E269 PolarHBondContact N-O 2.81Å; G232-E269 VanDerWaalsContact O-CB 3.32Å; G232-E269 WeakPolarHBondContact O-CB 3.45Å; P234-E269 HydrophobicContact CB-CG 3.87Å; P234-E269 HydrophobicContact CG-CG 3.92Å; L266-E269 HydrophobicContact CB-CB 4.34Å; L266-E269 HydrophobicContact CB-CG 4.21Å; L266-E269 WeakPolarHBondContact O-CB 3.06Å; L266-E269 PolarHBondContact O-N 3.09Å; P267-E269 PolarHBondContact O-N 3.34Å; E269-H273 PolarHBondContact O-CE1 3Å; E269-H273 PolarHBondContact O-ND1 3.39Å; E269-H273 VanDerWaalsContact O-ND1 3.07Å
270G96.2Very high95.9Very high1 Ų122.3 Ų22.31%0.0112%0.116CC..THydrogen-bonded Turntrans-138.5-31.1-174.600000115.6F230 F261 P267 Q268 H273 S274F230-G270 WeakPolarHBondContact O-CA 3.49Å; F261-G270 VanDerWaalsContact CZ-O 3.3Å; F261-G270 WeakPolarHBondContact CZ-O 3.48Å; P267-G270 PolarHBondContact O-N 3.38Å; P267-G270 VanDerWaalsContact O-N 3.17Å; Q268-G270 PolarHBondContact O-N 2.97Å; G270-H273 PolarHBondContact N-ND1 2.83Å; G270-H273 PolarHBondContact O-N 3.22Å; G270-S274 VanDerWaalsContact O-CB 3.27Å; G270-S274 WeakPolarHBondContact O-CB 3.45Å; G270-S274 PolarHBondContact O-N 3.22Å; G270-S274 PolarHBondContact O-OG 3.23Å
271Y97.8Very high95.9Very high1 Ų122.7 Ų22.70%0.00412%0.119CC..Hα-helixtrans-61.9-60.5-174.2174.5-98.5000112.7L133 L137 P254 L257 L258 F261 P267 H273 S274 V275L133-Y271 HydrophobicContact CD1-CD1 3.73Å; L133-Y271 HydrophobicContact CD1-CG 3.96Å; L133-Y271 VanDerWaalsContact CD2-CB 3.5Å; L133-Y271 HydrophobicContact CD2-CD1 4.26Å; L133-Y271 HydrophobicContact CD2-CD2 4.09Å; L133-Y271 HydrophobicContact CD2-CG 3.68Å; L133-Y271 HydrophobicContact CG-CG 4.42Å; L137-Y271 HydrophobicContact CD1-CE1 4.14Å; L137-Y271 HydrophobicContact CD2-CE1 3.84Å; P254-Y271 WeakPolarHBondContact O-CE2 3.36Å; P254-Y271 PolarHBondContact O-OH 3.13Å; P254-Y271 VanDerWaalsContact O-OH 3.05Å; L257-Y271 HydrophobicContact CB-CD2 4.46Å; L257-Y271 HydrophobicContact CB-CE2 4.28Å; L258-Y271 HydrophobicContact CB-CD2 4.48Å; L258-Y271 HydrophobicContact CB-CE2 3.71Å; L258-Y271 HydrophobicContact CD1-CD2 4.39Å; L258-Y271 HydrophobicContact CD1-CE2 4.13Å; F261-Y271 HydrophobicContact CB-CD2 4.31Å; F261-Y271 AromaticContact CD2-CD2 3.9Å; F261-Y271 HydrophobicContact CD2-CD2 3.9Å; F261-Y271 HydrophobicContact CG-CD2 4.3Å; P267-Y271 WeakPolarHBondContact O-CB 3.36Å; P267-Y271 PolarHBondContact O-N 3.23Å; Y271-H273 VanDerWaalsContact C-N 3.26Å; Y271-H273 PolarHBondContact O-N 3.37Å; Y271-S274 PolarHBondContact O-N 3.33Å; Y271-V275 HydrophobicContact CD2-CG2 4.12Å; Y271-V275 HydrophobicContact CE1-CG2 4.23Å; Y271-V275 HydrophobicContact CE2-CG2 3.75Å; Y271-V275 VanDerWaalsContact O-CG2 3.29Å; Y271-V275 WeakPolarHBondContact O-CG2 3.42Å; Y271-V275 PolarHBondContact O-N 3.41Å
272F98Very high95.8Very high6 Ų628.5 Ų28.53%0.02614%0.141CC..Hα-helixtrans-62.1-38.3-178.4-68.2-65000111.5L133 T136 L137 I183 L238 F242 I243 V275 V276L133-F272 HydrophobicContact CD1-CE2 4.05Å; L133-F272 HydrophobicContact CD1-CZ 4.44Å; T136-F272 HydrophobicContact CG2-CE2 3.99Å; T136-F272 HydrophobicContact CG2-CZ 4.14Å; L137-F272 HydrophobicContact CD2-CE1 3.9Å; L137-F272 HydrophobicContact CD2-CZ 3.79Å; L137-F272 HydrophobicContact CG-CZ 4.42Å; I183-F272 HydrophobicContact CD1-CB 3.81Å; L238-F272 HydrophobicContact CD1-CB 4.31Å; L238-F272 HydrophobicContact CD1-CD1 3.68Å; L238-F272 HydrophobicContact CD1-CD2 4.39Å; L238-F272 HydrophobicContact CD1-CE1 4.03Å; L238-F272 HydrophobicContact CD1-CG 3.88Å; F242-F272 HydrophobicContact CE1-CB 4.41Å; F242-F272 HydrophobicContact CE1-CD1 4.02Å; F242-F272 HydrophobicContact CZ-CD1 4.48Å; I243-F272 HydrophobicContact CD1-CE1 4.29Å; F272-V275 PolarHBondContact O-N 3.41Å; F272-V276 WeakPolarHBondContact O-CB 3.3Å; F272-V276 WeakPolarHBondContact O-CG1 3.27Å; F272-V276 PolarHBondContact O-N 2.98Å
273H97.7Very high95.7Very high0 Ų032.7 Ų32.70%016%0.162CC..Hα-helixtrans-58.8-49.6176.6-50.287.6000111.8I183 D184 H185 F230 S233 E269 G270 Y271 V276 C277I183-H273 HydrophobicContact CD1-CB 4.4Å; I183-H273 WeakPolarHBondContact CG1-CD2 3.26Å; I183-H273 WeakPolarHBondContact CG1-NE2 3.32Å; D184-H273 PolarHBondContact O-CD2 3.32Å; D184-H273 PolarHBondContact O-NE2 2.5Å; H185-H273 HydrophobicContact CB-CB 4.45Å; F230-H273 HydrophobicContact CB-CB 3.81Å; S233-H273 PolarHBondContact O-CE1 2.85Å; S233-H273 VanDerWaalsContact O-CE1 3.23Å; S233-H273 PolarHBondContact O-NE2 3.46Å; E269-H273 PolarHBondContact O-CE1 3Å; E269-H273 PolarHBondContact O-ND1 3.39Å; E269-H273 VanDerWaalsContact O-ND1 3.07Å; G270-H273 PolarHBondContact N-ND1 2.83Å; G270-H273 PolarHBondContact O-N 3.22Å; Y271-H273 VanDerWaalsContact C-N 3.26Å; Y271-H273 PolarHBondContact O-N 3.37Å; H273-V276 WeakPolarHBondContact O-CG1 3.4Å; H273-C277 WeakPolarHBondContact O-CB 3.09Å; H273-C277 PolarHBondContact O-N 3.03Å; H273-C277 VanDerWaalsContact O-N 3.14Å
274S97.6Very high95.7Very high0 Ų030.7 Ų30.70%015%0.151CC..Hα-helixtrans-71.2-39.9-179.3-61.70000111.2F230 F261 G270 Y271 N278F230-S274 PolarHBondContact N-OG 2.87Å; F230-S274 PolarHBondContact O-OG 3.31Å; F230-S274 VanDerWaalsContact O-OG 3.12Å; F261-S274 WeakPolarHBondContact CZ-OG 3.26Å; G270-S274 VanDerWaalsContact O-CB 3.27Å; G270-S274 WeakPolarHBondContact O-CB 3.45Å; G270-S274 PolarHBondContact O-N 3.22Å; G270-S274 PolarHBondContact O-OG 3.23Å; Y271-S274 PolarHBondContact O-N 3.33Å; S274-N278 VanDerWaalsContact O-CB 3.3Å; S274-N278 WeakPolarHBondContact O-CB 3.35Å; S274-N278 PolarHBondContact O-N 2.96Å; S274-N278 PolarHBondContact O-ND2 3.31Å
275V97.9Very high95.8Very high0 Ų030.8 Ų30.80%015%0.152CC..Hα-helixtrans-65.8-45.2177.8177.90000111.2F242 Y245 P254 L257 Y271 F272 S279F242-V275 HydrophobicContact CE2-CB 4.47Å; F242-V275 HydrophobicContact CE2-CG1 3.9Å; F242-V275 HydrophobicContact CZ-CB 4.24Å; F242-V275 HydrophobicContact CZ-CG1 4.11Å; Y245-V275 HydrophobicContact CD1-CG1 4.14Å; Y245-V275 HydrophobicContact CE1-CG1 3.77Å; P254-V275 HydrophobicContact CB-CG1 4.26Å; P254-V275 HydrophobicContact CG-CG1 4.07Å; L257-V275 HydrophobicContact CB-CG2 4.01Å; L257-V275 HydrophobicContact CD2-CB 4.33Å; L257-V275 HydrophobicContact CD2-CG2 3.58Å; L257-V275 HydrophobicContact CG-CG2 4.45Å; Y271-V275 HydrophobicContact CD2-CG2 4.12Å; Y271-V275 HydrophobicContact CE1-CG2 4.23Å; Y271-V275 HydrophobicContact CE2-CG2 3.75Å; Y271-V275 VanDerWaalsContact O-CG2 3.29Å; Y271-V275 WeakPolarHBondContact O-CG2 3.42Å; Y271-V275 PolarHBondContact O-N 3.41Å; F272-V275 PolarHBondContact O-N 3.41Å; V275-S279 VanDerWaalsContact O-CB 3.26Å; V275-S279 WeakPolarHBondContact O-CB 3.38Å; V275-S279 PolarHBondContact O-N 3.44Å; V275-S279 PolarHBondContact O-OG 3.2Å
276V97.2Very high95.9Very high0 Ų029.9 Ų29.90%015%0.148CC..Hα-helixtrans-65.9-42-17877.10000111.4I183 F242 F272 H273 S279 F281 R282 T285I183-V276 HydrophobicContact CD1-CG1 4.22Å; I183-V276 HydrophobicContact CG2-CG1 4.21Å; F242-V276 HydrophobicContact CD2-CG2 4.25Å; F242-V276 HydrophobicContact CE1-CB 4.11Å; F242-V276 HydrophobicContact CE1-CG2 4.37Å; F242-V276 HydrophobicContact CE2-CB 3.73Å; F242-V276 HydrophobicContact CE2-CG2 3.93Å; F242-V276 HydrophobicContact CZ-CB 3.5Å; F242-V276 HydrophobicContact CZ-CG2 4.01Å; F272-V276 WeakPolarHBondContact O-CB 3.3Å; F272-V276 WeakPolarHBondContact O-CG1 3.27Å; F272-V276 PolarHBondContact O-N 2.98Å; H273-V276 WeakPolarHBondContact O-CG1 3.4Å; V276-S279 PolarHBondContact O-OG 2.9Å; V276-F281 HydrophobicContact CG2-CB 3.67Å; V276-F281 CarbonylContact O-C 3.54Å; V276-R282 WeakPolarHBondContact O-CA 3.15Å; V276-R282 PolarHBondContact O-N 2.84Å; V276-R282 VanDerWaalsContact O-N 3.08Å; V276-T285 HydrophobicContact CB-CG2 4.36Å; V276-T285 HydrophobicContact CG1-CG2 3.76Å; V276-T285 HydrophobicContact CG2-CG2 3.63Å
277C96.9Very high95.9Very high0 Ų030.8 Ų30.80%015%0.153CC..Hα-helixtrans-79.7-20.9-176.6-730000114.7H185 F230 H273 C400 Q402H185-C277 PolarHBondContact CD2-SG 2.89Å; F230-C277 HydrophobicContact CD1-CB 4.07Å; F230-C277 HydrophobicContact CD2-CB 3.5Å; F230-C277 VanDerWaalsContact CD2-CB 3.5Å; F230-C277 HydrophobicContact CE1-CB 4.02Å; F230-C277 HydrophobicContact CE2-CB 3.43Å; F230-C277 VanDerWaalsContact CE2-CB 3.43Å; F230-C277 HydrophobicContact CG-CB 3.82Å; F230-C277 HydrophobicContact CZ-CB 3.71Å; H273-C277 WeakPolarHBondContact O-CB 3.09Å; H273-C277 PolarHBondContact O-N 3.03Å; H273-C277 VanDerWaalsContact O-N 3.14Å; C277-C400 WeakPolarHBondContact CA-SG 3.34Å; C277-C400 HydrophobicContact CB-CB 3.48Å; C277-C400 VanDerWaalsContact CB-CB 3.48Å; C277-C400 WeakPolarHBondContact CB-SG 3.27Å; C277-C400 WeakPolarHBondContact SG-CB 3.4Å; C277-C400 CovalentContact SG-SG 2.04Å; C277-C400 PolarHBondContact SG-SG 3.49Å; C277-Q402 PolarHBondContact O-NE2 2.91Å
278N96.4Very high95.9Very high40 Ų4031.5 Ų31.521%0.21416%0.158CC..THydrogen-bonded Turntrans-99.212.9175.8-67.4-92.7000113K228 L253 S274K228-N278 PolarHBondContact N-OD1 3Å; K228-N278 PolarHBondContact O-ND2 2.94Å; L253-N278 HydrophobicContact CD1-CB 4.37Å; L253-N278 HydrophobicContact CD2-CB 4.09Å; L253-N278 WeakPolarHBondContact CD2-O 3.37Å; S274-N278 VanDerWaalsContact O-CB 3.3Å; S274-N278 WeakPolarHBondContact O-CB 3.35Å; S274-N278 PolarHBondContact O-N 2.96Å; S274-N278 PolarHBondContact O-ND2 3.31Å
279S95.7Very high95.9Very high11 Ų1130 Ų308%0.07715%0.151CC..SBendtrans-127.2179.6178.863.70000112.2V275 V276 F281 R282V275-S279 VanDerWaalsContact O-CB 3.26Å; V275-S279 WeakPolarHBondContact O-CB 3.38Å; V275-S279 PolarHBondContact O-N 3.44Å; V275-S279 PolarHBondContact O-OG 3.2Å; V276-S279 PolarHBondContact O-OG 2.9Å; S279-F281 PolarHBondContact O-N 3.41Å; S279-R282 WeakPolarHBondContact O-CB 3.3Å; S279-R282 PolarHBondContact O-N 3.36Å
280D93.6Very high95.9Very high148 Ų14828.4 Ų28.479%0.79114%0.144SC*.G310 helixtrans-59.5-14.1175-70.7-14.9000113.6R282D280-R282 VanDerWaalsContact C-N 3.27Å; D280-R282 PolarHBondContact O-N 3.23Å
281F95Very high95.9Very high41 Ų4129 Ų2918%0.1815%0.146CC..G310 helixtrans-78.3-5.1175.7-65.2-89.4000113.8R241 F242 Y245 V276 S279 N283 S284R241-F281 HydrophobicContact CB-CE1 4.13Å; R241-F281 HydrophobicContact CB-CZ 4.42Å; F242-F281 HydrophobicContact CB-CD1 3.86Å; F242-F281 HydrophobicContact CB-CE1 3.85Å; F242-F281 HydrophobicContact CB-CG 4.4Å; F242-F281 HydrophobicContact CB-CZ 4.4Å; F242-F281 HydrophobicContact CD2-CB 3.99Å; F242-F281 AromaticContact CD2-CD1 3.97Å; F242-F281 HydrophobicContact CD2-CD1 3.97Å; F242-F281 AromaticContact CD2-CD2 3.75Å; F242-F281 HydrophobicContact CD2-CD2 3.75Å; F242-F281 HydrophobicContact CD2-CE1 4.38Å; F242-F281 HydrophobicContact CD2-CE2 4.19Å; F242-F281 AromaticContact CD2-CG 3.62Å; F242-F281 HydrophobicContact CD2-CG 3.62Å; F242-F281 HydrophobicContact CD2-CZ 4.48Å; F242-F281 HydrophobicContact CE2-CB 4.42Å; F242-F281 HydrophobicContact CE2-CD2 4.38Å; F242-F281 HydrophobicContact CE2-CG 4.4Å; F242-F281 HydrophobicContact CG-CD1 4.32Å; F242-F281 HydrophobicContact CG-CG 4.39Å; Y245-F281 AromaticContact CD1-CD2 3.87Å; Y245-F281 HydrophobicContact CD1-CD2 3.87Å; Y245-F281 AromaticContact CD1-CE2 3.6Å; Y245-F281 HydrophobicContact CD1-CE2 3.6Å; Y245-F281 HydrophobicContact CD2-CE2 4.23Å; Y245-F281 HydrophobicContact CE1-CD2 4.32Å; Y245-F281 HydrophobicContact CE1-CE2 4.32Å; Y245-F281 HydrophobicContact CG-CD2 4.28Å; Y245-F281 AromaticContact CG-CE2 3.53Å; Y245-F281 HydrophobicContact CG-CE2 3.53Å; Y245-F281 HydrophobicContact CG-CZ 4.32Å; V276-F281 HydrophobicContact CG2-CB 3.67Å; V276-F281 CarbonylContact O-C 3.54Å; S279-F281 PolarHBondContact O-N 3.41Å; F281-N283 PolarHBondContact O-N 2.88Å; F281-S284 WeakPolarHBondContact O-CB 3.41Å; F281-S284 PolarHBondContact O-N 3.5Å; F281-S284 PolarHBondContact O-OG 2.82Å
282R94Very high95.9Very high122 Ų12230.9 Ų30.946%0.4615%0.153SC..G310 helixtrans-54.6-31-177.171.2-179.6-171.7-170.8-2.5114.4V276 S279 D280 S284 T285 C400V276-R282 WeakPolarHBondContact O-CA 3.15Å; V276-R282 PolarHBondContact O-N 2.84Å; V276-R282 VanDerWaalsContact O-N 3.08Å; S279-R282 WeakPolarHBondContact O-CB 3.3Å; S279-R282 PolarHBondContact O-N 3.36Å; D280-R282 VanDerWaalsContact C-N 3.27Å; D280-R282 PolarHBondContact O-N 3.23Å; R282-S284 VanDerWaalsContact C-N 3.28Å; R282-S284 PolarHBondContact O-N 3.08Å; R282-T285 PolarHBondContact O-OG1 3.43Å; R282-C400 HydrophobicContact CB-CB 4.23Å
283N92.3Very high95.8Very high135 Ų13532.4 Ų32.472%0.72216%0.161SC*.G310 helixtrans-87.42.8-179.6-69-13.3000113F281F281-N283 PolarHBondContact O-N 2.88Å
284S95Very high95.6Very high11 Ų1135.2 Ų35.28%0.07717%0.174CC..G310 helixtrans-107.95.5-178.873.40000113.2H179 L180 N181 F281 R282H179-S284 VanDerWaalsContact O-CB 3.3Å; H179-S284 WeakPolarHBondContact O-CB 3.41Å; L180-S284 CarbonylContact C-O 3.45Å; L180-S284 VanDerWaalsContact CA-O 3.31Å; L180-S284 WeakPolarHBondContact CA-O 3.38Å; N181-S284 PolarHBondContact N-O 3.45Å; N181-S284 PolarHBondContact ND2-OG 3.38Å; F281-S284 WeakPolarHBondContact O-CB 3.41Å; F281-S284 PolarHBondContact O-N 3.5Å; F281-S284 PolarHBondContact O-OG 2.82Å; R282-S284 VanDerWaalsContact C-N 3.28Å; R282-S284 PolarHBondContact O-N 3.08Å
285T96.1Very high95.3Very high4 Ų440.4 Ų40.43%0.02519%0.194CC..EExtended strand (participates in β ladder)trans-82139.6-179.257.90000111.4N181 I183 V276 R282 S393N181-T285 CarbonylContact O-C 3.59Å; N181-T285 WeakPolarHBondContact O-CA 3.3Å; I183-T285 HydrophobicContact CG2-CG2 4.01Å; V276-T285 HydrophobicContact CB-CG2 4.36Å; V276-T285 HydrophobicContact CG1-CG2 3.76Å; V276-T285 HydrophobicContact CG2-CG2 3.63Å; R282-T285 PolarHBondContact O-OG1 3.43Å; T285-S393 PolarHBondContact O-OG 2.87Å
286V96.1Very high94.8Very high2 Ų242.3 Ų42.31%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-114.3120.3162.1178.50000106L180 N181 F182 I183 S288 I389 I390L180-V286 HydrophobicContact CB-CG2 4.22Å; L180-V286 HydrophobicContact CD1-CG2 3.99Å; L180-V286 HydrophobicContact CD2-CG2 4.31Å; L180-V286 HydrophobicContact CG-CG2 4.4Å; N181-V286 PolarHBondContact O-N 2.88Å; F182-V286 WeakPolarHBondContact CA-O 3.39Å; F182-V286 HydrophobicContact CD1-CB 3.77Å; F182-V286 HydrophobicContact CD1-CG1 3.75Å; F182-V286 HydrophobicContact CD1-CG2 4.34Å; F182-V286 HydrophobicContact CE1-CB 4.02Å; F182-V286 HydrophobicContact CE1-CG1 3.9Å; F182-V286 HydrophobicContact CE1-CG2 4.12Å; F182-V286 HydrophobicContact CG-CB 4.42Å; I183-V286 PolarHBondContact N-O 3.12Å; V286-S288 VanDerWaalsContact C-N 3.26Å; V286-S288 PolarHBondContact O-N 3.06Å; V286-I389 HydrophobicContact CG1-CB 4.07Å; V286-I389 HydrophobicContact CG1-CD1 3.99Å; V286-I389 HydrophobicContact CG1-CG1 3.92Å; V286-I390 HydrophobicContact CG2-CG1 4.31Å
287N95.3Very high94.2Very high39 Ų3950 Ų5021%0.20925%0.245CC..SBendtrans-80.373.7-172.2-160.1-10000111.1D184 H185 N398D184-N287 VanDerWaalsContact CA-OD1 3.23Å; D184-N287 WeakPolarHBondContact CA-OD1 3.24Å; D184-N287 PolarHBondContact OD1-OD1 2.88Å; H185-N287 PolarHBondContact N-OD1 2.95Å; H185-N287 PolarHBondContact O-ND2 3.04Å; H185-N287 PolarHBondContact O-OD1 3.14Å; N287-N398 HydrophobicContact CB-CB 3.88Å; N287-N398 WeakPolarHBondContact CB-O 3.31Å; N287-N398 PolarHBondContact ND2-O 2.9Å
288S95Very high93.6Very high17 Ų1754.8 Ų54.812%0.11928%0.276CS..  trans-158140.8178.6178.50000109.3F182 I183 V286 M290F182-S288 CarbonylContact C-O 3.07Å; F182-S288 VanDerWaalsContact C-O 3.26Å; I183-S288 PolarHBondContact N-O 2.89Å; I183-S288 VanDerWaalsContact N-O 3.17Å; V286-S288 VanDerWaalsContact C-N 3.26Å; V286-S288 PolarHBondContact O-N 3.06Å; S288-M290 PolarHBondContact OG-N 3.2Å; S288-M290 VanDerWaalsContact OG-N 3.17Å; S288-M290 PolarHBondContact OG-SD 2.99Å
289D93.9Very high93Very high18 Ų1857.3 Ų57.310%0.09630%0.295CS..  trans-93.81.2172.978.4-8.3000113.2D184 S233 R291 M293D184-D289 HydrophobicContact CB-CB 3.97Å; S233-D289 VanDerWaalsContact CB-CB 3.48Å; S233-D289 WeakPolarHBondContact CB-OD2 3.1Å; S233-D289 WeakPolarHBondContact OG-CB 3.41Å; S233-D289 PolarHBondContact OG-OD2 3.34Å; D289-R291 PolarHBondContact O-N 2.98Å; D289-R291 PolarHBondContact O-NH1 3.44Å; D289-R291 PolarHBondContact OD1-N 3.48Å; D289-M293 WeakPolarHBondContact OD2-CE 3.32Å
290M96.3Very high92.5Very high0 Ų062.8 Ų62.80%032%0.319CS..  trans59.129.7175.4-51-61.9-68.800114F182 I237 S288 P320 F321 F382 M386 I389F182-M290 HydrophobicContact CB-CG 3.85Å; F182-M290 HydrophobicContact CB-SD 4.43Å; F182-M290 HydrophobicContact CD1-CE 4.39Å; F182-M290 HydrophobicContact CD1-CG 4.07Å; F182-M290 HydrophobicContact CD1-SD 3.61Å; F182-M290 HydrophobicContact CE1-SD 4.23Å; F182-M290 HydrophobicContact CG-CG 4.11Å; F182-M290 HydrophobicContact CG-SD 4.25Å; I237-M290 HydrophobicContact CD1-CB 4.15Å; I237-M290 HydrophobicContact CD1-CG 3.99Å; S288-M290 PolarHBondContact OG-N 3.2Å; S288-M290 VanDerWaalsContact OG-N 3.17Å; S288-M290 PolarHBondContact OG-SD 2.99Å; M290-P320 HydrophobicContact CB-CG 3.82Å; M290-P320 HydrophobicContact CE-CG 3.95Å; M290-P320 WeakPolarHBondContact O-CD 3.09Å; M290-F321 PolarHBondContact O-N 3.39Å; M290-F382 HydrophobicContact CE-CE2 3.44Å; M290-F382 VanDerWaalsContact CE-CE2 3.44Å; M290-F382 HydrophobicContact CE-CZ 3.91Å; M290-M386 HydrophobicContact CE-CE 3.43Å; M290-M386 VanDerWaalsContact CE-CE 3.43Å; M290-M386 HydrophobicContact CE-SD 4.39Å; M290-I389 HydrophobicContact CE-CD1 3.84Å; M290-I389 HydrophobicContact SD-CD1 3.23Å; M290-I389 WeakPolarHBondContact SD-CD1 3.47Å
291R96.5Very high92Very high13 Ų1360.9 Ų60.95%0.04931%0.307CS..EExtended strand (participates in β ladder)trans-127.9141.3-177.6-76.1165.6178.578.52.6113.3T155 L156 D160 W235 D289 M293 F321T155-R291 PolarHBondContact O-NH2 3.22Å; L156-R291 VanDerWaalsContact CD2-NH2 3.27Å; D160-R291 IonicContact OD1-NE 3.33Å; D160-R291 PolarHBondContact OD1-NE 2.91Å; W235-R291 VanDerWaalsContact CB-NE 3.31Å; W235-R291 PolarHBondContact O-NH1 3.07Å; D289-R291 PolarHBondContact O-N 2.98Å; D289-R291 PolarHBondContact O-NH1 3.44Å; D289-R291 PolarHBondContact OD1-N 3.48Å; R291-M293 HydrophobicContact CB-CG 4.35Å; R291-F321 CarbonylContact C-O 3.54Å; R291-F321 VanDerWaalsContact CA-O 3.32Å; R291-F321 WeakPolarHBondContact CA-O 3.2Å; R291-F321 HydrophobicContact CG-CB 3.88Å
292Y97.4Very high91.6Very high41 Ų4163.8 Ų63.816%0.16132%0.321CS..EExtended strand (participates in β ladder)trans-80126.5161-170.2-88.2000109L306 E313 I314 F321 A322 R323Y292-L306 HydrophobicContact CD1-CD1 4.06Å; Y292-L306 HydrophobicContact CD1-CD2 4.14Å; Y292-L306 HydrophobicContact CE1-CD2 3.88Å; Y292-E313 HydrophobicContact CE2-CB 4.38Å; Y292-E313 WeakPolarHBondContact OH-CB 3.35Å; Y292-E313 PolarHBondContact OH-OE2 3.02Å; Y292-I314 HydrophobicContact CD1-CD1 4.4Å; Y292-I314 HydrophobicContact CD1-CG1 3.55Å; Y292-I314 HydrophobicContact CE1-CD1 4.44Å; Y292-I314 HydrophobicContact CE1-CG1 3.62Å; Y292-I314 HydrophobicContact CG-CG1 4.02Å; Y292-F321 PolarHBondContact N-O 3.18Å; Y292-A322 WeakPolarHBondContact O-CA 3.41Å; Y292-R323 PolarHBondContact O-N 2.99Å
293M95.4Very high91.6Very high39 Ų3958.4 Ų58.419%0.19230%0.302CS..  trans-141.2142174.9-66.9-174.4-72.300109.2D289 R291 W295 P303 R323D289-M293 WeakPolarHBondContact OD2-CE 3.32Å; R291-M293 HydrophobicContact CB-CG 4.35Å; M293-W295 HydrophobicContact CE-CZ2 4.07Å; M293-W295 HydrophobicContact SD-CZ2 3.78Å; M293-P303 HydrophobicContact CB-CB 4.28Å; M293-P303 HydrophobicContact SD-CG 4.37Å; M293-R323 HydrophobicContact CG-CG 3.4Å; M293-R323 VanDerWaalsContact SD-CD 3.57Å; M293-R323 HydrophobicContact SD-CG 3.75Å
294E94.2Very high91.6Very high58 Ų5855.7 Ų55.727%0.27129%0.285SS..  trans-111128.5170.8-171.6177.9-172.900108.7P303 H304 L306 H310E294-P303 CarbonylContact O-C 3.44Å; E294-P303 WeakPolarHBondContact O-CA 3.38Å; E294-P303 WeakPolarHBondContact O-CB 3.25Å; E294-H304 HydrophobicContact CB-CB 4.43Å; E294-H304 PolarHBondContact O-N 3.26Å; E294-L306 HydrophobicContact CB-CD2 4.03Å; E294-H310 IonicContact OE1-CD2 2.79Å; E294-H310 IonicContact OE1-NE2 2.64Å; E294-H310 IonicContact OE2-CD2 3.7Å; E294-H310 PolarHBondContact OE2-CD2 2.65Å; E294-H310 IonicContact OE2-CE1 3.84Å; E294-H310 IonicContact OE2-CG 3.17Å; E294-H310 IonicContact OE2-NE2 3.75Å; E294-H310 PolarHBondContact OE2-NE2 3.11Å
295W92Very high91.7Very high110 Ų11059 Ų5942%0.41730%0.298SS..  trans-116147.4-176.1-65.495.1000110.1M293 P299 Q300 P303M293-W295 HydrophobicContact CE-CZ2 4.07Å; M293-W295 HydrophobicContact SD-CZ2 3.78Å; W295-P299 HydrophobicContact CB-CB 4.32Å; W295-P299 HydrophobicContact CB-CG 4.44Å; W295-P299 HydrophobicContact CD2-CB 4.45Å; W295-P299 HydrophobicContact CE3-CB 4.06Å; W295-Q300 WeakPolarHBondContact CZ3-O 3.41Å; W295-P303 HydrophobicContact CD2-CB 4.12Å; W295-P303 HydrophobicContact CE3-CB 4.17Å; W295-P303 HydrophobicContact CH2-CB 4.39Å; W295-P303 HydrophobicContact CH2-CG 4.44Å; W295-P303 HydrophobicContact CZ2-CB 4.33Å; W295-P303 HydrophobicContact CZ3-CB 4.31Å
296D85.8Confident91.7Very high39 Ų3958.8 Ų58.821%0.20930%0.296CS..  trans-57.1157.3162.3-65.1-92000110.7P298 P299 Q300 H304D296-P298 VanDerWaalsContact C-C 3.49Å; D296-P298 CarbonylContact C-O 3.49Å; D296-P298 VanDerWaalsContact CB-O 3.32Å; D296-P298 WeakPolarHBondContact CB-O 3.47Å; D296-P298 CarbonylContact O-C 3.59Å; D296-P299 WeakPolarHBondContact O-CA 3.38Å; D296-Q300 HydrophobicContact CB-CG 4.06Å; D296-Q300 VanDerWaalsContact CG-NE2 3.28Å; D296-Q300 PolarHBondContact OD1-NE2 2.8Å; D296-Q300 WeakPolarHBondContact OD2-CG 3.45Å; D296-Q300 PolarHBondContact OD2-NE2 3.17Å; D296-Q300 VanDerWaalsContact OD2-NE2 3.11Å; D296-H304 IonicContact OD1-CE1 3.9Å; D296-H304 PolarHBondContact OD1-CE1 3.2Å; D296-H304 IonicContact OD1-NE2 2.66Å; D296-H304 PolarHBondContact OD1-NE2 3.21Å; D296-H304 VanDerWaalsContact OD1-NE2 3.17Å; D296-H304 IonicContact OD2-CE1 3.61Å; D296-H304 PolarHBondContact OD2-CE1 3.45Å; D296-H304 IonicContact OD2-ND1 3.74Å; D296-H304 IonicContact OD2-NE2 2.61Å
297D85.8Confident91.8Very high161 Ų16161.3 Ų61.386%0.86131%0.31SS*.SBendtrans-114.3106.5165.3-173.111.8000109.6
298P84.2Confident91.9Very high102 Ų10262.6 Ų62.666%0.66232%0.319SS*.SBendcis-77156.52.132.2-35.8000113.2D296 Q300D296-P298 VanDerWaalsContact C-C 3.49Å; D296-P298 CarbonylContact C-O 3.49Å; D296-P298 VanDerWaalsContact CB-O 3.32Å; D296-P298 WeakPolarHBondContact CB-O 3.47Å; D296-P298 CarbonylContact O-C 3.59Å; P298-Q300 PolarHBondContact O-N 3Å
299P83.4Confident92Very high92 Ų9266.6 Ų66.660%0.59734%0.343SS*.  trans-59.3128.6-178.4-25.833.9000113.2W295 D296W295-P299 HydrophobicContact CB-CB 4.32Å; W295-P299 HydrophobicContact CB-CG 4.44Å; W295-P299 HydrophobicContact CD2-CB 4.45Å; W295-P299 HydrophobicContact CE3-CB 4.06Å; D296-P299 WeakPolarHBondContact O-CA 3.38Å
300Q84.4Confident92.1Very high126 Ų12666.8 Ų66.859%0.58934%0.343SS*.  trans-82.2-174.3169.8-64.6-168.649.200111.8W295 D296 P298 E302W295-Q300 WeakPolarHBondContact CZ3-O 3.41Å; D296-Q300 HydrophobicContact CB-CG 4.06Å; D296-Q300 VanDerWaalsContact CG-NE2 3.28Å; D296-Q300 PolarHBondContact OD1-NE2 2.8Å; D296-Q300 WeakPolarHBondContact OD2-CG 3.45Å; D296-Q300 PolarHBondContact OD2-NE2 3.17Å; D296-Q300 VanDerWaalsContact OD2-NE2 3.11Å; P298-Q300 PolarHBondContact O-N 3Å; Q300-E302 PolarHBondContact O-N 3.06Å
301M83.4Confident92.2Very high108 Ų10868.1 Ų68.153%0.53235%0.348SS..SBendtrans-68.6-29.4-178.9-72.4-68.1-63.500114.1M128 L266M128-M301 HydrophobicContact CE-CE 4.19Å; M128-M301 HydrophobicContact SD-CE 3.81Å; L266-M301 HydrophobicContact CD1-CE 3.91Å
302E87.8Confident92.2Very high102 Ų10272.7 Ų72.748%0.47737%0.374SS..SBendtrans-128.1146.6176.7-67-158.8126.200110Q300 K324Q300-E302 PolarHBondContact O-N 3.06Å; E302-K324 IonicContact OE1-NZ 3.02Å; E302-K324 PolarHBondContact OE1-NZ 3.4Å; E302-K324 IonicContact OE2-NZ 3.79Å; E302-K324 PolarHBondContact OE2-NZ 3.29Å
303P93Very high92.1Very high10 Ų1075.9 Ų75.97%0.06539%0.391CS..PPolyproline II helixtrans-68.8161.617529.9-35.3000111.5M293 E294 W295 K324M293-P303 HydrophobicContact CB-CB 4.28Å; M293-P303 HydrophobicContact SD-CG 4.37Å; E294-P303 CarbonylContact O-C 3.44Å; E294-P303 WeakPolarHBondContact O-CA 3.38Å; E294-P303 WeakPolarHBondContact O-CB 3.25Å; W295-P303 HydrophobicContact CD2-CB 4.12Å; W295-P303 HydrophobicContact CE3-CB 4.17Å; W295-P303 HydrophobicContact CH2-CB 4.39Å; W295-P303 HydrophobicContact CH2-CG 4.44Å; W295-P303 HydrophobicContact CZ2-CB 4.33Å; W295-P303 HydrophobicContact CZ3-CB 4.31Å; P303-K324 HydrophobicContact CG-CB 4.33Å
304H93.2Very high92.2Very high78 Ų7874.1 Ų74.136%0.36138%0.382SS..PPolyproline II helixtrans-59.9153.6176-81.9-39.2000112.8E294 D296 L306 K324E294-H304 HydrophobicContact CB-CB 4.43Å; E294-H304 PolarHBondContact O-N 3.26Å; D296-H304 IonicContact OD1-CE1 3.9Å; D296-H304 PolarHBondContact OD1-CE1 3.2Å; D296-H304 IonicContact OD1-NE2 2.66Å; D296-H304 PolarHBondContact OD1-NE2 3.21Å; D296-H304 VanDerWaalsContact OD1-NE2 3.17Å; D296-H304 IonicContact OD2-CE1 3.61Å; D296-H304 PolarHBondContact OD2-CE1 3.45Å; D296-H304 IonicContact OD2-ND1 3.74Å; D296-H304 IonicContact OD2-NE2 2.61Å; H304-L306 PolarHBondContact O-N 2.67Å; H304-K324 PolarHBondContact O-N 2.98Å
305F95.9Very high92.2Very high79 Ų7972.1 Ų72.135%0.34637%0.373SS..PPolyproline II helixtrans-76.2116.8170.9-79-77.5000110.1K324 R326F305-K324 CarbonylContact C-O 3.58Å; F305-K324 VanDerWaalsContact CA-O 3.25Å; F305-K324 WeakPolarHBondContact CA-O 3.3Å; F305-K324 HydrophobicContact CD1-CB 4.43Å; F305-K324 HydrophobicContact CD1-CG 3.9Å; F305-K324 HydrophobicContact CE1-CD 4.01Å; F305-K324 HydrophobicContact CE1-CG 3.61Å; F305-K324 HydrophobicContact CZ-CD 4.16Å; F305-K324 HydrophobicContact CZ-CG 4.27Å; F305-R326 HydrophobicContact CB-CG 4.18Å; F305-R326 HydrophobicContact CD1-CB 4.3Å; F305-R326 HydrophobicContact CD1-CG 3.29Å; F305-R326 HydrophobicContact CD2-CG 4.4Å; F305-R326 HydrophobicContact CE1-CB 4.46Å; F305-R326 HydrophobicContact CE1-CG 3.6Å; F305-R326 HydrophobicContact CG-CG 3.71Å; F305-R326 HydrophobicContact CZ-CG 4.29Å
306L97.3Very high92.4Very high0 Ų073 Ų730%038%0.382CS..PPolyproline II helixtrans-71.1130.3177-59173.7000109.9Y292 E294 H304 H310 I314 A322 R323 K324 F325 E329 L331Y292-L306 HydrophobicContact CD1-CD1 4.06Å; Y292-L306 HydrophobicContact CD1-CD2 4.14Å; Y292-L306 HydrophobicContact CE1-CD2 3.88Å; E294-L306 HydrophobicContact CB-CD2 4.03Å; H304-L306 PolarHBondContact O-N 2.67Å; L306-H310 HydrophobicContact CD2-CB 4.38Å; L306-I314 HydrophobicContact CB-CD1 4.26Å; L306-I314 HydrophobicContact CD1-CD1 3.86Å; L306-I314 HydrophobicContact CD2-CD1 4.35Å; L306-I314 HydrophobicContact CG-CD1 4.38Å; L306-A322 HydrophobicContact CD1-CB 3.9Å; L306-R323 WeakPolarHBondContact CD1-O 3.4Å; L306-K324 PolarHBondContact N-O 3.45Å; L306-F325 HydrophobicContact CB-CD1 4.09Å; L306-F325 HydrophobicContact CB-CE1 3.75Å; L306-F325 HydrophobicContact CB-CZ 4.34Å; L306-F325 HydrophobicContact CD1-CE1 4.07Å; L306-F325 HydrophobicContact CD1-CE2 4.3Å; L306-F325 HydrophobicContact CD1-CZ 3.79Å; L306-E329 WeakPolarHBondContact O-CG 3.37Å; L306-L331 HydrophobicContact CB-CD2 4.12Å
307N97.2Very high92.9Very high56 Ų5672.8 Ų72.830%0.29938%0.384SS..  trans-126.3179.1174.776.359.5000111.5T309 H310 E329 L331N307-T309 PolarHBondContact O-N 3.31Å; N307-T309 WeakPolarHBondContact OD1-CB 3.48Å; N307-T309 WeakPolarHBondContact OD1-CG2 3.42Å; N307-T309 PolarHBondContact OD1-N 3.42Å; N307-T309 PolarHBondContact OD1-OG1 3.42Å; N307-H310 PolarHBondContact N-ND1 3.48Å; N307-H310 VanDerWaalsContact N-ND1 3.19Å; N307-H310 PolarHBondContact ND2-CE1 3.39Å; N307-H310 PolarHBondContact O-N 3.44Å; N307-H310 PolarHBondContact O-ND1 3.02Å; N307-H310 VanDerWaalsContact O-ND1 3.09Å; N307-E329 WeakPolarHBondContact CA-OE1 3.2Å; N307-E329 WeakPolarHBondContact CB-OE1 3.35Å; N307-L331 VanDerWaalsContact O-CD2 3.24Å; N307-L331 WeakPolarHBondContact O-CD2 3.25Å
308T97.4Very high93.4Very high65 Ų6565.4 Ų65.440%0.39935%0.345SS..G310 helixtrans-54.5-22.1-173.750.40000116.4H310 Y311 P330 L331T308-H310 VanDerWaalsContact C-N 3.28Å; T308-H310 PolarHBondContact O-N 2.99Å; T308-Y311 WeakPolarHBondContact O-CB 3.41Å; T308-Y311 PolarHBondContact O-N 2.71Å; T308-P330 HydrophobicContact CG2-CB 4.02Å; T308-L331 HydrophobicContact CG2-CB 4.13Å
309T97.1Very high94Very high101 Ų10161.1 Ų61.162%0.6232%0.317SS*.G310 helixtrans-66-29.5176.359.20000112.8N307 Y311N307-T309 PolarHBondContact O-N 3.31Å; N307-T309 WeakPolarHBondContact OD1-CB 3.48Å; N307-T309 WeakPolarHBondContact OD1-CG2 3.42Å; N307-T309 PolarHBondContact OD1-N 3.42Å; N307-T309 PolarHBondContact OD1-OG1 3.42Å; T309-Y311 VanDerWaalsContact C-N 3.29Å; T309-Y311 PolarHBondContact O-N 2.91Å
310H97Very high94.7Very high22 Ų2256.7 Ų56.710%0.10229%0.289CS..G310 helixtrans-86.62.4-177.4-46.493.6000113.1E294 L306 N307 T308 D312 E313 I314E294-H310 IonicContact OE1-CD2 2.79Å; E294-H310 IonicContact OE1-NE2 2.64Å; E294-H310 IonicContact OE2-CD2 3.7Å; E294-H310 PolarHBondContact OE2-CD2 2.65Å; E294-H310 IonicContact OE2-CE1 3.84Å; E294-H310 IonicContact OE2-CG 3.17Å; E294-H310 IonicContact OE2-NE2 3.75Å; E294-H310 PolarHBondContact OE2-NE2 3.11Å; L306-H310 HydrophobicContact CD2-CB 4.38Å; N307-H310 PolarHBondContact N-ND1 3.48Å; N307-H310 VanDerWaalsContact N-ND1 3.19Å; N307-H310 PolarHBondContact ND2-CE1 3.39Å; N307-H310 PolarHBondContact O-N 3.44Å; N307-H310 PolarHBondContact O-ND1 3.02Å; N307-H310 VanDerWaalsContact O-ND1 3.09Å; T308-H310 VanDerWaalsContact C-N 3.28Å; T308-H310 PolarHBondContact O-N 2.99Å; H310-D312 VanDerWaalsContact C-N 3.33Å; H310-D312 PolarHBondContact O-N 3.48Å; H310-E313 PolarHBondContact O-N 3.13Å; H310-I314 HydrophobicContact CB-CD1 3.79Å; H310-I314 HydrophobicContact CB-CG1 4.24Å; H310-I314 WeakPolarHBondContact O-CB 3.42Å; H310-I314 WeakPolarHBondContact O-CD1 3.41Å; H310-I314 WeakPolarHBondContact O-CG1 3.36Å; H310-I314 PolarHBondContact O-N 2.92Å
311Y97.5Very high95.4Very high28 Ų2850.8 Ų50.811%0.1126%0.261CS..Hα-helixtrans-56.4-45.4-171.2173.4-95.4000112.9T308 T309 V315 L331 K334 R338 V339T308-Y311 WeakPolarHBondContact O-CB 3.41Å; T308-Y311 PolarHBondContact O-N 2.71Å; T309-Y311 VanDerWaalsContact C-N 3.29Å; T309-Y311 PolarHBondContact O-N 2.91Å; Y311-V315 HydrophobicContact CD2-CG2 4.26Å; Y311-V315 HydrophobicContact CE1-CG2 4.21Å; Y311-V315 HydrophobicContact CE2-CG2 3.83Å; Y311-V315 WeakPolarHBondContact O-CB 3.42Å; Y311-V315 VanDerWaalsContact O-CG2 3.32Å; Y311-V315 WeakPolarHBondContact O-CG2 3.47Å; Y311-V315 PolarHBondContact O-N 2.88Å; Y311-L331 HydrophobicContact CD2-CD1 3.67Å; Y311-L331 HydrophobicContact CG-CD1 4.22Å; Y311-K334 HydrophobicContact CD1-CD 4.27Å; Y311-K334 VanDerWaalsContact CD1-CE 3.49Å; Y311-K334 VanDerWaalsContact CD1-NZ 3.25Å; Y311-K334 HydrophobicContact CD2-CB 4.46Å; Y311-K334 HydrophobicContact CD2-CD 3.58Å; Y311-K334 HydrophobicContact CD2-CG 3.84Å; Y311-K334 HydrophobicContact CE2-CD 3.98Å; Y311-K334 HydrophobicContact CE2-CG 3.78Å; Y311-K334 HydrophobicContact CG-CD 3.75Å; Y311-K334 VanDerWaalsContact CG-CE 3.49Å; Y311-K334 HydrophobicContact CG-CG 4.47Å; Y311-K334 VanDerWaalsContact CG-NZ 3.33Å; Y311-R338 HydrophobicContact CE2-CB 4.39Å; Y311-R338 WeakPolarHBondContact OH-CB 3.44Å; Y311-V339 HydrophobicContact CE2-CG2 4.48Å
312D96.8Very high96.1Very high110 Ų11045.6 Ų45.659%0.58824%0.236SC*.Hα-helixtrans-69-44.1-176-64.2-38.2000110.9H310 I314 V315 E316H310-D312 VanDerWaalsContact C-N 3.33Å; H310-D312 PolarHBondContact O-N 3.48Å; D312-I314 PolarHBondContact O-N 3.46Å; D312-V315 PolarHBondContact O-N 2.85Å; D312-E316 WeakPolarHBondContact O-CB 3.28Å; D312-E316 WeakPolarHBondContact O-CG 3.16Å; D312-E316 PolarHBondContact O-N 2.05Å
313E96.3Very high96.5Very high108 Ų10841.1 Ų41.151%0.50521%0.214SC..Hα-helixtrans-60.2-45.4176.8-63.9173.7176.500112Y292 H310 V315 E316 S317Y292-E313 HydrophobicContact CE2-CB 4.38Å; Y292-E313 WeakPolarHBondContact OH-CB 3.35Å; Y292-E313 PolarHBondContact OH-OE2 3.02Å; H310-E313 PolarHBondContact O-N 3.13Å; E313-V315 PolarHBondContact O-N 3.03Å; E313-E316 PolarHBondContact O-N 3.29Å; E313-S317 WeakPolarHBondContact O-CB 3.08Å; E313-S317 PolarHBondContact O-N 2.66Å
314I95.8Very high96.7Very high1 Ų142 Ų421%0.00522%0.217CC..Hα-helixtrans-58.9-47.4177-72.3167.9000110.6L163 Y292 L306 H310 D312 S317 A322 L331L163-I314 HydrophobicContact CD1-CG2 3.45Å; L163-I314 VanDerWaalsContact CD1-CG2 3.45Å; L163-I314 HydrophobicContact CD2-CG2 3.24Å; L163-I314 HydrophobicContact CG-CG2 3.94Å; Y292-I314 HydrophobicContact CD1-CD1 4.4Å; Y292-I314 HydrophobicContact CD1-CG1 3.55Å; Y292-I314 HydrophobicContact CE1-CD1 4.44Å; Y292-I314 HydrophobicContact CE1-CG1 3.62Å; Y292-I314 HydrophobicContact CG-CG1 4.02Å; L306-I314 HydrophobicContact CB-CD1 4.26Å; L306-I314 HydrophobicContact CD1-CD1 3.86Å; L306-I314 HydrophobicContact CD2-CD1 4.35Å; L306-I314 HydrophobicContact CG-CD1 4.38Å; H310-I314 HydrophobicContact CB-CD1 3.79Å; H310-I314 HydrophobicContact CB-CG1 4.24Å; H310-I314 WeakPolarHBondContact O-CB 3.42Å; H310-I314 WeakPolarHBondContact O-CD1 3.41Å; H310-I314 WeakPolarHBondContact O-CG1 3.36Å; H310-I314 PolarHBondContact O-N 2.92Å; D312-I314 PolarHBondContact O-N 3.46Å; I314-S317 PolarHBondContact O-N 3.44Å; I314-S317 PolarHBondContact O-OG 3.1Å; I314-A322 HydrophobicContact CG2-CB 4.4Å; I314-L331 HydrophobicContact CD1-CD2 3.7Å
315V95.1Very high96.8Very high16 Ų1638.6 Ų38.610%0.09720%0.201CC..Hα-helixtrans-73.4-27.4-177.9171.30000112.6Y311 D312 E313 V339 K381Y311-V315 HydrophobicContact CD2-CG2 4.26Å; Y311-V315 HydrophobicContact CE1-CG2 4.21Å; Y311-V315 HydrophobicContact CE2-CG2 3.83Å; Y311-V315 WeakPolarHBondContact O-CB 3.42Å; Y311-V315 VanDerWaalsContact O-CG2 3.32Å; Y311-V315 WeakPolarHBondContact O-CG2 3.47Å; Y311-V315 PolarHBondContact O-N 2.88Å; D312-V315 PolarHBondContact O-N 2.85Å; E313-V315 PolarHBondContact O-N 3.03Å; V315-V339 HydrophobicContact CG2-CG2 3.84Å; V315-K381 WeakPolarHBondContact O-CD 3.37Å; V315-K381 PolarHBondContact O-NZ 3.49Å
316E96.4Very high96.8Very high129 Ų12941.8 Ų41.860%0.60321%0.211SC*.Hα-helixtrans-82-23.1175.5-69-51135.600113.4D312 E313 G318 K381D312-E316 WeakPolarHBondContact O-CB 3.28Å; D312-E316 WeakPolarHBondContact O-CG 3.16Å; D312-E316 PolarHBondContact O-N 2.05Å; E313-E316 PolarHBondContact O-N 3.29Å; E316-G318 PolarHBondContact O-N 3Å; E316-G318 VanDerWaalsContact O-N 3.13Å; E316-K381 IonicContact OE1-NZ 3.65Å; E316-K381 PolarHBondContact OE1-NZ 2.98Å; E316-K381 IonicContact OE2-NZ 3.77Å; E316-K381 PolarHBondContact OE2-NZ 3.48Å
317S96Very high96.5Very high35 Ų3546 Ų4625%0.24523%0.231CC..SBendtrans-57.8-29.4-178.971.50000114.5E313 I314 V319E313-S317 WeakPolarHBondContact O-CB 3.08Å; E313-S317 PolarHBondContact O-N 2.66Å; I314-S317 PolarHBondContact O-N 3.44Å; I314-S317 PolarHBondContact O-OG 3.1Å; S317-V319 PolarHBondContact O-N 3.45Å; S317-V319 WeakPolarHBondContact OG-CG2 3.41Å; S317-V319 PolarHBondContact OG-N 3Å
318G96.2Very high96.3Very high5 Ų547.7 Ų47.75%0.05224%0.24CC..  trans711.5-176.900000114.7E316 F382E316-G318 PolarHBondContact O-N 3Å; E316-G318 VanDerWaalsContact O-N 3.13Å; G318-F382 WeakPolarHBondContact O-CA 3.33Å; G318-F382 VanDerWaalsContact O-CD2 3.28Å; G318-F382 WeakPolarHBondContact O-CD2 3.37Å
319V97.3Very high96.2Very high12 Ų1245.8 Ų45.87%0.07323%0.226CC..  trans-73.9153.7175-67.10000111.6L163 S317 F321L163-V319 WeakPolarHBondContact CB-O 3.37Å; L163-V319 HydrophobicContact CD1-CG2 3.85Å; S317-V319 PolarHBondContact O-N 3.45Å; S317-V319 WeakPolarHBondContact OG-CG2 3.41Å; S317-V319 PolarHBondContact OG-N 3Å; V319-F321 WeakPolarHBondContact CG2-O 3.42Å
320P98.1Very high96.2Very high0 Ų044.8 Ų44.80%022%0.221CC..SBendtrans-81.4-17.2-17529.4-34.3000114.8P162 L163 V164 L169 M290 F382P162-P320 WeakPolarHBondContact CA-O 3.1Å; L163-P320 PolarHBondContact N-O 3.02Å; V164-P320 HydrophobicContact CG2-CB 3.7Å; L169-P320 HydrophobicContact CD1-CB 3.81Å; M290-P320 HydrophobicContact CB-CG 3.82Å; M290-P320 HydrophobicContact CE-CG 3.95Å; M290-P320 WeakPolarHBondContact O-CD 3.09Å; P320-F382 HydrophobicContact CB-CD2 4.34Å; P320-F382 HydrophobicContact CB-CE1 4.39Å; P320-F382 HydrophobicContact CB-CE2 4Å; P320-F382 HydrophobicContact CB-CZ 4.02Å; P320-F382 HydrophobicContact CG-CD2 4.35Å; P320-F382 HydrophobicContact CG-CE2 3.7Å; P320-F382 HydrophobicContact CG-CZ 3.93Å
321F98.5Very high96.2Very high1 Ų143.7 Ų43.70%0.00422%0.217CC..EExtended strand (participates in β ladder)trans-137.6158.8-177.4-57.2-74.7000111.7Y57 V76 V154 L156 Y161 P162 L169 I237 M290 R291 Y292 V319Y57-F321 HydrophobicContact CE1-CZ 4.31Å; V76-F321 HydrophobicContact CG1-CE1 4.44Å; V154-F321 HydrophobicContact CG1-CZ 4.47Å; L156-F321 HydrophobicContact CD1-CD1 4.3Å; L156-F321 HydrophobicContact CD1-CE1 3.87Å; L156-F321 HydrophobicContact CD1-CZ 4.45Å; L156-F321 HydrophobicContact CD2-CD1 3.84Å; L156-F321 HydrophobicContact CD2-CE1 4.08Å; L156-F321 HydrophobicContact CD2-CG 4.1Å; Y161-F321 CarbonylContact O-C 3.53Å; Y161-F321 WeakPolarHBondContact O-CA 3.38Å; P162-F321 HydrophobicContact CB-CD1 4.21Å; P162-F321 HydrophobicContact CB-CE1 4.23Å; L169-F321 HydrophobicContact CD2-CZ 4.45Å; I237-F321 HydrophobicContact CD1-CE2 4.22Å; M290-F321 PolarHBondContact O-N 3.39Å; R291-F321 CarbonylContact C-O 3.54Å; R291-F321 VanDerWaalsContact CA-O 3.32Å; R291-F321 WeakPolarHBondContact CA-O 3.2Å; R291-F321 HydrophobicContact CG-CB 3.88Å; Y292-F321 PolarHBondContact N-O 3.18Å; V319-F321 WeakPolarHBondContact CG2-O 3.42Å
322A97.9Very high96.2Very high0 Ų042.9 Ų42.90%021%0.214CC..EExtended strand (participates in β ladder)trans-134.5157.3171.900000111.6D160 Y161 L163 Y292 L306 I314 F325D160-A322 CarbonylContact C-O 3.55Å; D160-A322 WeakPolarHBondContact CA-O 3.48Å; Y161-A322 PolarHBondContact N-O 2.76Å; Y161-A322 PolarHBondContact O-N 2.76Å; L163-A322 HydrophobicContact CD1-CB 3.93Å; L163-A322 HydrophobicContact CD2-CB 3.91Å; L163-A322 HydrophobicContact CG-CB 4Å; Y292-A322 WeakPolarHBondContact O-CA 3.41Å; L306-A322 HydrophobicContact CD1-CB 3.9Å; I314-A322 HydrophobicContact CG2-CB 4.4Å; A322-F325 HydrophobicContact CB-CE2 3.7Å; A322-F325 HydrophobicContact CB-CZ 3.66Å; A322-F325 WeakPolarHBondContact O-CE2 3.28Å
323R96.6Very high96.2Very high7 Ų740.4 Ų40.43%0.02620%0.201CC..EExtended strand (participates in β ladder)trans-157.4154.1170.164.3-178.5-68.8130.4-8.5111.2N157 D160 Y292 M293 L306N157-R323 PolarHBondContact ND2-NH1 2.89Å; D160-R323 WeakPolarHBondContact OD1-CB 3.42Å; D160-R323 WeakPolarHBondContact OD1-CD 3.18Å; D160-R323 IonicContact OD1-CZ 3.93Å; D160-R323 IonicContact OD1-NE 3.33Å; D160-R323 IonicContact OD1-NH1 3.84Å; D160-R323 PolarHBondContact OD1-NH1 2.75Å; D160-R323 IonicContact OD2-NH1 2.65Å; D160-R323 PolarHBondContact OD2-NH1 3.33Å; Y292-R323 PolarHBondContact O-N 2.99Å; M293-R323 HydrophobicContact CG-CG 3.4Å; M293-R323 VanDerWaalsContact SD-CD 3.57Å; M293-R323 HydrophobicContact SD-CG 3.75Å; L306-R323 WeakPolarHBondContact CD1-O 3.4Å
324K96.2Very high96.3Very high29 Ų2938.7 Ų38.713%0.12619%0.191CC..  cis-111.7142.17176.8164.6-179.5-175.20111.7A159 E302 P303 H304 F305 L306A159-K324 HydrophobicContact CB-CB 4.5Å; A159-K324 HydrophobicContact CB-CD 3.95Å; A159-K324 HydrophobicContact CB-CG 3.57Å; E302-K324 IonicContact OE1-NZ 3.02Å; E302-K324 PolarHBondContact OE1-NZ 3.4Å; E302-K324 IonicContact OE2-NZ 3.79Å; E302-K324 PolarHBondContact OE2-NZ 3.29Å; P303-K324 HydrophobicContact CG-CB 4.33Å; H304-K324 PolarHBondContact O-N 2.98Å; F305-K324 CarbonylContact C-O 3.58Å; F305-K324 VanDerWaalsContact CA-O 3.25Å; F305-K324 WeakPolarHBondContact CA-O 3.3Å; F305-K324 HydrophobicContact CD1-CB 4.43Å; F305-K324 HydrophobicContact CD1-CG 3.9Å; F305-K324 HydrophobicContact CE1-CD 4.01Å; F305-K324 HydrophobicContact CE1-CG 3.61Å; F305-K324 HydrophobicContact CZ-CD 4.16Å; F305-K324 HydrophobicContact CZ-CG 4.27Å; L306-K324 PolarHBondContact N-O 3.45Å
325F97Very high96.4Very high6 Ų638.6 Ų38.63%0.02619%0.191CC..  trans-109.2145.2179.3-61.5-80.4000113.3A159 Y161 L306 A322 E329 L331 L332 I335A159-F325 WeakPolarHBondContact O-CD2 3.5Å; A159-F325 PolarHBondContact O-N 2.59Å; A159-F325 VanDerWaalsContact O-N 3.08Å; Y161-F325 VanDerWaalsContact CB-CE2 3.44Å; L306-F325 HydrophobicContact CB-CD1 4.09Å; L306-F325 HydrophobicContact CB-CE1 3.75Å; L306-F325 HydrophobicContact CB-CZ 4.34Å; L306-F325 HydrophobicContact CD1-CE1 4.07Å; L306-F325 HydrophobicContact CD1-CE2 4.3Å; L306-F325 HydrophobicContact CD1-CZ 3.79Å; A322-F325 HydrophobicContact CB-CE2 3.7Å; A322-F325 HydrophobicContact CB-CZ 3.66Å; A322-F325 WeakPolarHBondContact O-CE2 3.28Å; F325-E329 HydrophobicContact CD1-CG 4.45Å; F325-L331 HydrophobicContact CD1-CD2 4.44Å; F325-L331 HydrophobicContact CE1-CD2 3.65Å; F325-L331 HydrophobicContact CE1-CG 4.09Å; F325-L332 HydrophobicContact CB-CD1 4.26Å; F325-L332 HydrophobicContact CB-CD2 4Å; F325-L332 HydrophobicContact CB-CG 4.34Å; F325-L332 HydrophobicContact CD1-CD2 3.69Å; F325-L332 HydrophobicContact CD1-CG 4.19Å; F325-L332 HydrophobicContact CD2-CD2 3.98Å; F325-L332 HydrophobicContact CE1-CD2 4.1Å; F325-L332 HydrophobicContact CE2-CD2 4.37Å; F325-L332 HydrophobicContact CG-CD2 3.61Å; F325-L332 HydrophobicContact CG-CG 4.31Å; F325-L332 HydrophobicContact CZ-CD2 4.43Å; F325-I335 HydrophobicContact CE1-CD1 4.23Å; F325-I335 HydrophobicContact CZ-CD1 4.07Å
326R95Very high96.4Very high147 Ų14738.1 Ų38.156%0.55519%0.188SC*.  trans-78.3159.6168.6-64.6-174177.1-168.61.5110.7F305 N328 E329F305-R326 HydrophobicContact CB-CG 4.18Å; F305-R326 HydrophobicContact CD1-CB 4.3Å; F305-R326 HydrophobicContact CD1-CG 3.29Å; F305-R326 HydrophobicContact CD2-CG 4.4Å; F305-R326 HydrophobicContact CE1-CB 4.46Å; F305-R326 HydrophobicContact CE1-CG 3.6Å; F305-R326 HydrophobicContact CG-CG 3.71Å; F305-R326 HydrophobicContact CZ-CG 4.29Å; R326-N328 PolarHBondContact O-N 3.01Å; R326-E329 HydrophobicContact CB-CB 4.3Å; R326-E329 WeakPolarHBondContact O-CB 3.39Å; R326-E329 PolarHBondContact O-N 3.02Å
327E91.5Very high96.4Very high87 Ų8737.3 Ų37.341%0.40718%0.184SC..THydrogen-bonded Turntrans-63.5133.1169.6-163-175.7175.300109.9K68 E329K68-E327 HydrophobicContact CD-CB 4Å; K68-E327 HydrophobicContact CD-CG 4.2Å; K68-E327 HydrophobicContact CG-CB 4.23Å; K68-E327 HydrophobicContact CG-CG 3.87Å; E327-E329 PolarHBondContact O-N 2.95Å
328N92Very high96.5Very high92 Ų9242.7 Ų42.749%0.49220%0.199SC..THydrogen-bonded Turntrans58.925.8-179-54.4-56000114.5R326 P330 R344R326-N328 PolarHBondContact O-N 3.01Å; N328-P330 WeakPolarHBondContact O-CD 3.42Å; N328-R344 PolarHBondContact OD1-NH2 3.44Å; N328-R344 VanDerWaalsContact OD1-NH2 3.14Å
329E95.8Very high96.5Very high26 Ų2642.7 Ų42.712%0.12120%0.198CC..  trans-57.6124172.5-179.856.4-136.500110.6L306 N307 F325 R326 E327 L331 L332L306-E329 WeakPolarHBondContact O-CG 3.37Å; N307-E329 WeakPolarHBondContact CA-OE1 3.2Å; N307-E329 WeakPolarHBondContact CB-OE1 3.35Å; F325-E329 HydrophobicContact CD1-CG 4.45Å; R326-E329 HydrophobicContact CB-CB 4.3Å; R326-E329 WeakPolarHBondContact O-CB 3.39Å; R326-E329 PolarHBondContact O-N 3.02Å; E327-E329 PolarHBondContact O-N 2.95Å; E329-L331 HydrophobicContact CG-CB 3.93Å; E329-L331 PolarHBondContact O-N 3.49Å; E329-L331 VanDerWaalsContact O-N 3.12Å; E329-L332 HydrophobicContact CB-CD1 4.17Å; E329-L332 HydrophobicContact CB-CG 4.14Å; E329-L332 WeakPolarHBondContact O-CB 3.47Å; E329-L332 PolarHBondContact O-N 2.96Å
330P97.3Very high96.5Very high79 Ų7942.1 Ų42.151%0.51320%0.195SC..Hα-helixtrans-56.8-28.3-178.9-28.936000114.3T308 N328 L332 D333 K334T308-P330 HydrophobicContact CG2-CB 4.02Å; N328-P330 WeakPolarHBondContact O-CD 3.42Å; P330-L332 PolarHBondContact O-N 3.27Å; P330-D333 PolarHBondContact O-N 3.09Å; P330-K334 PolarHBondContact O-N 3.36Å; P330-K334 VanDerWaalsContact O-N 3.15Å
331L97.4Very high96.3Very high0 Ų047.1 Ų47.10%022%0.218CC..Hα-helixtrans-57.9-35.4173.6177.257000112.3L306 N307 T308 Y311 I314 F325 E329 D333 K334 I335L306-L331 HydrophobicContact CB-CD2 4.12Å; N307-L331 VanDerWaalsContact O-CD2 3.24Å; N307-L331 WeakPolarHBondContact O-CD2 3.25Å; T308-L331 HydrophobicContact CG2-CB 4.13Å; Y311-L331 HydrophobicContact CD2-CD1 3.67Å; Y311-L331 HydrophobicContact CG-CD1 4.22Å; I314-L331 HydrophobicContact CD1-CD2 3.7Å; F325-L331 HydrophobicContact CD1-CD2 4.44Å; F325-L331 HydrophobicContact CE1-CD2 3.65Å; F325-L331 HydrophobicContact CE1-CG 4.09Å; E329-L331 HydrophobicContact CG-CB 3.93Å; E329-L331 PolarHBondContact O-N 3.49Å; E329-L331 VanDerWaalsContact O-N 3.12Å; L331-D333 VanDerWaalsContact C-N 3.32Å; L331-D333 PolarHBondContact O-N 2.94Å; L331-K334 WeakPolarHBondContact O-CB 3.47Å; L331-K334 PolarHBondContact O-N 3.08Å; L331-I335 HydrophobicContact CD1-CD1 4.2Å; L331-I335 HydrophobicContact CD1-CG1 4.14Å; L331-I335 HydrophobicContact CG-CD1 3.96Å; L331-I335 HydrophobicContact CG-CG1 4.39Å; L331-I335 WeakPolarHBondContact O-CG1 3.02Å; L331-I335 PolarHBondContact O-N 3.26Å
332L97.5Very high96Very high10 Ų1047.6 Ų47.65%0.05222%0.22CC..Hα-helixtrans-63.7-38.6178.3-63.2173.7000112R71 Y161 F325 E329 P330 K334 I335 D336R71-L332 VanDerWaalsContact NH2-C 3.31Å; R71-L332 PolarHBondContact NH2-O 3.08Å; Y161-L332 HydrophobicContact CD1-CD2 3.68Å; Y161-L332 HydrophobicContact CD2-CD2 3.66Å; Y161-L332 HydrophobicContact CE1-CD2 4.06Å; Y161-L332 HydrophobicContact CE2-CD2 4.04Å; Y161-L332 HydrophobicContact CG-CD2 3.44Å; Y161-L332 VanDerWaalsContact CG-CD2 3.44Å; F325-L332 HydrophobicContact CB-CD1 4.26Å; F325-L332 HydrophobicContact CB-CD2 4Å; F325-L332 HydrophobicContact CB-CG 4.34Å; F325-L332 HydrophobicContact CD1-CD2 3.69Å; F325-L332 HydrophobicContact CD1-CG 4.19Å; F325-L332 HydrophobicContact CD2-CD2 3.98Å; F325-L332 HydrophobicContact CE1-CD2 4.1Å; F325-L332 HydrophobicContact CE2-CD2 4.37Å; F325-L332 HydrophobicContact CG-CD2 3.61Å; F325-L332 HydrophobicContact CG-CG 4.31Å; F325-L332 HydrophobicContact CZ-CD2 4.43Å; E329-L332 HydrophobicContact CB-CD1 4.17Å; E329-L332 HydrophobicContact CB-CG 4.14Å; E329-L332 WeakPolarHBondContact O-CB 3.47Å; E329-L332 PolarHBondContact O-N 2.96Å; P330-L332 PolarHBondContact O-N 3.27Å; L332-K334 VanDerWaalsContact C-N 3.34Å; L332-I335 PolarHBondContact O-N 2.79Å; L332-D336 WeakPolarHBondContact O-CB 3.45Å; L332-D336 PolarHBondContact O-N 2.64Å
333D96.9Very high95.6Very high58 Ų5852 Ų5231%0.3124%0.237SC..Hα-helixtrans-69.3-36.1176.7-67.4-15.8000110.6R71 P330 L331 D336 E337 R344R71-D333 IonicContact CZ-OD1 3.3Å; R71-D333 VanDerWaalsContact CZ-OD1 3.3Å; R71-D333 IonicContact NH1-OD1 2.97Å; R71-D333 PolarHBondContact NH1-OD1 2.87Å; R71-D333 IonicContact NH2-OD1 2.69Å; R71-D333 PolarHBondContact NH2-OD1 3.17Å; P330-D333 PolarHBondContact O-N 3.09Å; L331-D333 VanDerWaalsContact C-N 3.32Å; L331-D333 PolarHBondContact O-N 2.94Å; D333-D336 PolarHBondContact O-N 2.87Å; D333-E337 PolarHBondContact O-N 2.92Å; D333-R344 IonicContact OD2-NH1 3.48Å; D333-R344 PolarHBondContact OD2-NH1 3.41Å
334K97.4Very high94.9Very high72 Ų7257.2 Ų57.231%0.31326%0.256SS..Hα-helixtrans-65.1-42.1173.5-165.9179.2178.6-170.50112Y311 P330 L331 L332 E337 R338Y311-K334 HydrophobicContact CD1-CD 4.27Å; Y311-K334 VanDerWaalsContact CD1-CE 3.49Å; Y311-K334 VanDerWaalsContact CD1-NZ 3.25Å; Y311-K334 HydrophobicContact CD2-CB 4.46Å; Y311-K334 HydrophobicContact CD2-CD 3.58Å; Y311-K334 HydrophobicContact CD2-CG 3.84Å; Y311-K334 HydrophobicContact CE2-CD 3.98Å; Y311-K334 HydrophobicContact CE2-CG 3.78Å; Y311-K334 HydrophobicContact CG-CD 3.75Å; Y311-K334 VanDerWaalsContact CG-CE 3.49Å; Y311-K334 HydrophobicContact CG-CG 4.47Å; Y311-K334 VanDerWaalsContact CG-NZ 3.33Å; P330-K334 PolarHBondContact O-N 3.36Å; P330-K334 VanDerWaalsContact O-N 3.15Å; L331-K334 WeakPolarHBondContact O-CB 3.47Å; L331-K334 PolarHBondContact O-N 3.08Å; L332-K334 VanDerWaalsContact C-N 3.34Å; K334-E337 PolarHBondContact O-N 3.07Å; K334-R338 HydrophobicContact CG-CG 4.27Å; K334-R338 VanDerWaalsContact O-CB 3.29Å; K334-R338 WeakPolarHBondContact O-CB 3.41Å; K334-R338 WeakPolarHBondContact O-CG 3.43Å; K334-R338 PolarHBondContact O-N 2.9Å
335I97.5Very high94.5Very high0 Ų061.3 Ų61.30%028%0.275CS..Hα-helixtrans-63.3-46.4173.9-67.9166.4000110.3Y161 L163 F325 L331 L332 E337 R338 V339 L340Y161-I335 HydrophobicContact CD1-CD1 4.49Å; Y161-I335 HydrophobicContact CD1-CG2 4.01Å; Y161-I335 HydrophobicContact CE1-CG2 4.07Å; L163-I335 HydrophobicContact CD2-CD1 4.08Å; F325-I335 HydrophobicContact CE1-CD1 4.23Å; F325-I335 HydrophobicContact CZ-CD1 4.07Å; L331-I335 HydrophobicContact CD1-CD1 4.2Å; L331-I335 HydrophobicContact CD1-CG1 4.14Å; L331-I335 HydrophobicContact CG-CD1 3.96Å; L331-I335 HydrophobicContact CG-CG1 4.39Å; L331-I335 WeakPolarHBondContact O-CG1 3.02Å; L331-I335 PolarHBondContact O-N 3.26Å; L332-I335 PolarHBondContact O-N 2.79Å; I335-E337 VanDerWaalsContact C-N 3.3Å; I335-E337 PolarHBondContact O-N 3.05Å; I335-R338 PolarHBondContact O-N 3.01Å; I335-V339 HydrophobicContact CG2-CB 4.13Å; I335-V339 HydrophobicContact CG2-CG2 4.49Å; I335-V339 WeakPolarHBondContact O-CA 3.33Å; I335-V339 VanDerWaalsContact O-CB 3.31Å; I335-V339 WeakPolarHBondContact O-CB 3.4Å; I335-V339 PolarHBondContact O-N 2.92Å; I335-L340 HydrophobicContact CG2-CD1 4.07Å; I335-L340 HydrophobicContact CG2-CG 4.09Å; I335-L340 PolarHBondContact O-N 3.06Å
336D96.9Very high94.3Very high5 Ų565.6 Ų65.63%0.02729%0.291CS..Hα-helixtrans-57-42.8178-80.3-13.8000112.2R71 Y161 L332 D333 L340 H341 R342R71-D336 IonicContact CZ-OD2 3.58Å; R71-D336 IonicContact NE-OD2 3.52Å; R71-D336 IonicContact NH2-OD2 2.71Å; R71-D336 PolarHBondContact NH2-OD2 3.21Å; Y161-D336 WeakPolarHBondContact CE1-OD1 3.25Å; Y161-D336 PolarHBondContact OH-OD1 3.31Å; Y161-D336 PolarHBondContact OH-OD2 2.68Å; Y161-D336 VanDerWaalsContact OH-OD2 3.09Å; L332-D336 WeakPolarHBondContact O-CB 3.45Å; L332-D336 PolarHBondContact O-N 2.64Å; D333-D336 PolarHBondContact O-N 2.87Å; D336-L340 CarbonylContact O-C 3.51Å; D336-H341 WeakPolarHBondContact O-CA 3.46Å; D336-H341 PolarHBondContact O-N 3.26Å; D336-R342 HydrophobicContact CB-CG 3.75Å; D336-R342 PolarHBondContact O-N 3.39Å; D336-R342 VanDerWaalsContact OD1-CD 3.3Å; D336-R342 WeakPolarHBondContact OD1-CD 3.4Å; D336-R342 IonicContact OD1-CZ 3.93Å; D336-R342 IonicContact OD1-NE 2.72Å; D336-R342 IonicContact OD1-NH1 2.78Å; D336-R342 PolarHBondContact OD1-NH1 3.46Å; D336-R342 IonicContact OD2-NH1 3.29Å
337E96.2Very high94.3Very high113 Ų11358.7 Ų58.753%0.52827%0.265SS..Hα-helixtrans-71.7-52.6179.8-175.2-168.5-152.400112.2D333 K334 I335 H341D333-E337 PolarHBondContact O-N 2.92Å; K334-E337 PolarHBondContact O-N 3.07Å; I335-E337 VanDerWaalsContact C-N 3.3Å; I335-E337 PolarHBondContact O-N 3.05Å; E337-H341 PolarHBondContact O-ND1 3.35Å
338R96.6Very high94.5Very high147 Ų14754.7 Ų54.756%0.55525%0.247SC*.Hα-helixtrans-92-26.7-163.7-59.4-65.7174.3153.5-1.1114.2Y311 K334 I335 H341Y311-R338 HydrophobicContact CE2-CB 4.39Å; Y311-R338 WeakPolarHBondContact OH-CB 3.44Å; K334-R338 HydrophobicContact CG-CG 4.27Å; K334-R338 VanDerWaalsContact O-CB 3.29Å; K334-R338 WeakPolarHBondContact O-CB 3.41Å; K334-R338 WeakPolarHBondContact O-CG 3.43Å; K334-R338 PolarHBondContact O-N 2.9Å; I335-R338 PolarHBondContact O-N 3.01Å; R338-H341 PolarHBondContact O-CE1 3.29Å; R338-H341 VanDerWaalsContact O-CE1 3.26Å
339V96.9Very high94.6Very high5 Ų552.4 Ų52.43%0.0324%0.237CC..THydrogen-bonded Turntrans-109.5-52.7-175.3177.30000110.5L163 Y311 V315 I335 Q378L163-V339 WeakPolarHBondContact O-CG1 3.42Å; Y311-V339 HydrophobicContact CE2-CG2 4.48Å; V315-V339 HydrophobicContact CG2-CG2 3.84Å; I335-V339 HydrophobicContact CG2-CB 4.13Å; I335-V339 HydrophobicContact CG2-CG2 4.49Å; I335-V339 WeakPolarHBondContact O-CA 3.33Å; I335-V339 VanDerWaalsContact O-CB 3.31Å; I335-V339 WeakPolarHBondContact O-CB 3.4Å; I335-V339 PolarHBondContact O-N 2.92Å; V339-Q378 HydrophobicContact CG1-CG 3.87Å
340L96.7Very high94.5Very high1 Ų152 Ų521%0.00524%0.239CC..SBendtrans-90.6-10.4-173.6-55.3178.2000113.4A75 Y161 P162 V164 T165 I335 D336 R342 V348A75-L340 HydrophobicContact CB-CD1 4.37Å; Y161-L340 HydrophobicContact CE1-CD1 3.91Å; P162-L340 HydrophobicContact CG-CD1 3.98Å; P162-L340 HydrophobicContact CG-CD2 4.5Å; V164-L340 WeakPolarHBondContact O-CD2 3.32Å; T165-L340 HydrophobicContact CG2-CD2 4.37Å; I335-L340 HydrophobicContact CG2-CD1 4.07Å; I335-L340 HydrophobicContact CG2-CG 4.09Å; I335-L340 PolarHBondContact O-N 3.06Å; D336-L340 CarbonylContact O-C 3.51Å; L340-R342 HydrophobicContact CB-CG 4.02Å; L340-R342 PolarHBondContact O-N 3.11Å; L340-R342 VanDerWaalsContact O-N 3.07Å; L340-V348 HydrophobicContact CB-CG2 4.01Å; L340-V348 HydrophobicContact CD1-CG2 4.36Å
341H94.6Very high94.4Very high105 Ų10549.3 Ų49.349%0.48622%0.224SC..  trans47.737.1-179.4-57.8-50000114.4D336 E337 R338D336-H341 WeakPolarHBondContact O-CA 3.46Å; D336-H341 PolarHBondContact O-N 3.26Å; E337-H341 PolarHBondContact O-ND1 3.35Å; R338-H341 PolarHBondContact O-CE1 3.29Å; R338-H341 VanDerWaalsContact O-CE1 3.26Å
342R92.3Very high94.3Very high10 Ų1049.4 Ų49.44%0.03823%0.225CC..  trans-111.2157-175.470.1175.9-80.5-143.19.7111.9R71 A75 Y161 D336 L340 R346 V348R71-R342 PolarHBondContact O-NH1 3.03Å; A75-R342 VanDerWaalsContact CA-NH1 3.26Å; Y161-R342 PolarHBondContact OH-NH1 3.33Å; D336-R342 HydrophobicContact CB-CG 3.75Å; D336-R342 PolarHBondContact O-N 3.39Å; D336-R342 VanDerWaalsContact OD1-CD 3.3Å; D336-R342 WeakPolarHBondContact OD1-CD 3.4Å; D336-R342 IonicContact OD1-CZ 3.93Å; D336-R342 IonicContact OD1-NE 2.72Å; D336-R342 IonicContact OD1-NH1 2.78Å; D336-R342 PolarHBondContact OD1-NH1 3.46Å; D336-R342 IonicContact OD2-NH1 3.29Å; L340-R342 HydrophobicContact CB-CG 4.02Å; L340-R342 PolarHBondContact O-N 3.11Å; L340-R342 VanDerWaalsContact O-N 3.07Å; R342-R346 PolarHBondContact NE-O 3.34Å; R342-R346 PolarHBondContact NH2-O 3.18Å; R342-V348 HydrophobicContact CB-CG2 4.31Å; R342-V348 HydrophobicContact CG-CG2 4.42Å
343W88.5Confident94.1Very high94 Ų9449.9 Ų49.936%0.35623%0.229SC..  trans-88.5152.7167.5-62.7-52.5000111.2H345 R346 K357 R358 N361 P363W343-H345 PolarHBondContact O-N 2.93Å; W343-R346 HydrophobicContact CB-CB 4.44Å; W343-R346 HydrophobicContact CB-CG 4.21Å; W343-R346 PolarHBondContact O-N 3.42Å; W343-R346 VanDerWaalsContact O-N 3.11Å; W343-K357 HydrophobicContact CH2-CD 4.32Å; W343-K357 HydrophobicContact CH2-CG 3.45Å; W343-K357 VanDerWaalsContact CH2-CG 3.45Å; W343-K357 HydrophobicContact CZ2-CD 4.3Å; W343-K357 HydrophobicContact CZ2-CG 3.81Å; W343-K357 HydrophobicContact CZ3-CG 4.41Å; W343-R358 WeakPolarHBondContact CH2-O 3.45Å; W343-N361 WeakPolarHBondContact CZ3-O 3.24Å; W343-P363 VanDerWaalsContact CZ3-CD 3.47Å; W343-P363 HydrophobicContact CZ3-CG 4.46Å
344R83.5Confident93.8Very high115 Ų11550.5 Ų50.543%0.43424%0.235SC..THydrogen-bonded Turntrans-55135.2174.9-153.8178.6177.6151.7-1.6109.5N328 D333 R346N328-R344 PolarHBondContact OD1-NH2 3.44Å; N328-R344 VanDerWaalsContact OD1-NH2 3.14Å; D333-R344 IonicContact OD2-NH1 3.48Å; D333-R344 PolarHBondContact OD2-NH1 3.41Å; R344-R346 PolarHBondContact O-N 2.88Å
345H88Confident93.1Very high115 Ų11547.7 Ų47.753%0.53223%0.226SC..THydrogen-bonded Turntrans64.316.3-179.1-44.2-70.9000116.2L74 W343L74-H345 WeakPolarHBondContact CD1-O 3.31Å; W343-H345 PolarHBondContact O-N 2.93Å
346R92Very high92.1Very high97 Ų9757 Ų5737%0.36626%0.261SS..SBendtrans-118.7154.1172.2-60.2-59.7-173.7-162.81.1111.6R342 W343 R344R342-R346 PolarHBondContact NE-O 3.34Å; R342-R346 PolarHBondContact NH2-O 3.18Å; W343-R346 HydrophobicContact CB-CB 4.44Å; W343-R346 HydrophobicContact CB-CG 4.21Å; W343-R346 PolarHBondContact O-N 3.42Å; W343-R346 VanDerWaalsContact O-N 3.11Å; R344-R346 PolarHBondContact O-N 2.88Å
347P95Very high90.8Very high1 Ų163.1 Ų63.11%0.00629%0.288CS..PPolyproline II helixtrans-56.7156.7170.1-2435.1000112.6L74 Y77 A107 P349L74-P347 HydrophobicContact CD2-CG 3.93Å; L74-P347 VanDerWaalsContact O-CA 3.3Å; L74-P347 WeakPolarHBondContact O-CA 3.02Å; Y77-P347 HydrophobicContact CD1-CB 3.99Å; Y77-P347 HydrophobicContact CD1-CG 4.18Å; A107-P347 HydrophobicContact CB-CG 3.53Å; P347-P349 WeakPolarHBondContact O-CD 3.32Å
348V95.8Very high89.7Confident4 Ų465.1 Ų65.12%0.02429%0.291CS..PPolyproline II helixtrans-64125.3166.9175.50000109.6L74 A75 T165 L340 R342 G350L74-V348 PolarHBondContact O-N 3.22Å; A75-V348 WeakPolarHBondContact O-CG2 3.45Å; T165-V348 HydrophobicContact CG2-CG1 3.79Å; L340-V348 HydrophobicContact CB-CG2 4.01Å; L340-V348 HydrophobicContact CD1-CG2 4.36Å; R342-V348 HydrophobicContact CB-CG2 4.31Å; R342-V348 HydrophobicContact CG-CG2 4.42Å; V348-G350 PolarHBondContact O-N 3.42Å
349P94.1Very high88.3Confident44 Ų4468.8 Ų68.829%0.28631%0.305SS..PPolyproline II helixtrans-66.2121174-18.632000111.3P347 P363P347-P349 WeakPolarHBondContact O-CD 3.32Å; P349-P363 HydrophobicContact CB-CG 4.24Å; P349-P363 HydrophobicContact CG-CG 4.08Å
350G94.5Very high86.9Confident16 Ų1676.9 Ų76.917%0.16534%0.34CS..  trans-112.8-178.1170.100000111.9D167 V348 W352 C353D167-G350 WeakPolarHBondContact OD1-CA 3.39Å; V348-G350 PolarHBondContact O-N 3.42Å; G350-W352 PolarHBondContact O-N 3.43Å; G350-W352 VanDerWaalsContact O-N 3.1Å; G350-C353 PolarHBondContact O-N 3.46Å
351A95.1Very high85.8Confident24 Ų2481.3 Ų81.320%0.19836%0.363CS..THydrogen-bonded Turntrans-59.2-23.1176.600000113.4D167 C353 I372 R374D167-A351 WeakPolarHBondContact OD2-CB 3.46Å; D167-A351 PolarHBondContact OD2-N 3.06Å; A351-C353 VanDerWaalsContact C-N 3.29Å; A351-C353 PolarHBondContact O-N 3.03Å; A351-I372 HydrophobicContact CB-CB 4.45Å; A351-I372 HydrophobicContact CB-CG2 3.93Å; A351-R374 HydrophobicContact CB-CB 3.74Å
352W94.4Very high85.2Confident1 Ų176.6 Ų76.60%0.00434%0.342CS..THydrogen-bonded Turntrans-71.1-21176.966.8-87.2000113.5Y77 H78 P79 A109 G350 C364 W367 S368 V370Y77-W352 HydrophobicContact CD1-CH2 4.24Å; Y77-W352 HydrophobicContact CD1-CZ2 4.1Å; Y77-W352 AromaticContact CE1-CH2 3.84Å; Y77-W352 HydrophobicContact CE1-CH2 3.84Å; Y77-W352 HydrophobicContact CE1-CZ2 4.07Å; H78-W352 AromaticContact CD2-CD1 3.39Å; H78-W352 AromaticContact CD2-NE1 3.37Å; H78-W352 PolarHBondContact CD2-NE1 3.43Å; H78-W352 AromaticContact NE2-CD1 3.15Å; H78-W352 AromaticContact NE2-CG 3.98Å; H78-W352 AromaticContact NE2-NE1 3.68Å; P79-W352 VanDerWaalsContact CD-CE2 3.41Å; P79-W352 HydrophobicContact CG-CD2 3.61Å; P79-W352 HydrophobicContact CG-CE3 3.5Å; P79-W352 VanDerWaalsContact CG-CE3 3.5Å; P79-W352 HydrophobicContact CG-CG 4.28Å; P79-W352 HydrophobicContact CG-CH2 3.88Å; P79-W352 HydrophobicContact CG-CZ2 3.99Å; P79-W352 HydrophobicContact CG-CZ3 3.65Å; A109-W352 HydrophobicContact CB-CH2 3.71Å; A109-W352 HydrophobicContact CB-CZ3 3.71Å; G350-W352 PolarHBondContact O-N 3.43Å; G350-W352 VanDerWaalsContact O-N 3.1Å; W352-C364 HydrophobicContact CH2-CB 3.59Å; W352-C364 HydrophobicContact CZ2-CB 4.13Å; W352-C364 HydrophobicContact CZ3-CB 4.02Å; W352-W367 HydrophobicContact CE3-CB 3.72Å; W352-W367 HydrophobicContact CZ3-CB 4.15Å; W352-W367 WeakPolarHBondContact O-CA 3.47Å; W352-W367 VanDerWaalsContact O-CB 3.31Å; W352-W367 WeakPolarHBondContact O-CB 3.47Å; W352-S368 PolarHBondContact O-N 3.09Å; W352-S368 VanDerWaalsContact O-N 3.09Å; W352-V370 HydrophobicContact CB-CB 4.49Å; W352-V370 HydrophobicContact CB-CG1 4.08Å
353C93.5Very high84.8Confident20 Ų2076.6 Ų76.614%0.13534%0.343CS..BIsolated β-bridgetrans-83.4120.3-179.9-56.80000110.7G350 A351 P363 C364G350-C353 PolarHBondContact O-N 3.46Å; A351-C353 VanDerWaalsContact C-N 3.29Å; A351-C353 PolarHBondContact O-N 3.03Å; C353-P363 HydrophobicContact CB-CB 4.39Å; C353-C364 HydrophobicContact CB-CB 4.02Å; C353-C364 WeakPolarHBondContact CB-SG 3.41Å; C353-C364 VanDerWaalsContact SG-CA 3.52Å; C353-C364 WeakPolarHBondContact SG-CB 3.45Å; C353-C364 CovalentContact SG-SG 2.05Å; C353-C364 PolarHBondContact SG-SG 2.93Å
354T90.4Very high85Confident71 Ų7172.1 Ų72.144%0.43633%0.326SS..  trans-114.8-5.2-175.956.60000114.3Q366 W367 S368T354-Q366 PolarHBondContact N-O 3.03Å; T354-Q366 PolarHBondContact OG1-O 3.37Å; T354-W367 PolarHBondContact OG1-N 3.48Å; T354-S368 VanDerWaalsContact CG2-CB 3.5Å
355G82.4Confident85.2Confident14 Ų1468.6 Ų68.614%0.14432%0.319CS..SBendtrans-62.1140.717700000111.4K357 P363G355-K357 PolarHBondContact O-N 3.11Å; G355-P363 VanDerWaalsContact CA-O 3.28Å; G355-P363 WeakPolarHBondContact CA-O 3.42Å; G355-P363 PolarHBondContact N-O 2.71Å; G355-P363 WeakPolarHBondContact O-CB 3.36Å
356R76.7Confident85.3Confident194 Ų19468.5 Ų68.573%0.73232%0.319SS*.  trans-63.2122174.4-72.9-174.9177.6-175.1-1.8109.7R358R356-R358 PolarHBondContact O-N 2.79Å
357K70Confident85.3Confident134 Ų13464.7 Ų64.758%0.58331%0.305SS*.  trans-62.7103.5173.3-159174.4-174.2173.40108.7W343 G355W343-K357 HydrophobicContact CH2-CD 4.32Å; W343-K357 HydrophobicContact CH2-CG 3.45Å; W343-K357 VanDerWaalsContact CH2-CG 3.45Å; W343-K357 HydrophobicContact CZ2-CD 4.3Å; W343-K357 HydrophobicContact CZ2-CG 3.81Å; W343-K357 HydrophobicContact CZ3-CG 4.41Å; G355-K357 PolarHBondContact O-N 3.11Å
358R72.8Confident85.1Confident155 Ų15567.8 Ų67.859%0.58533%0.327SS*.BIsolated β-bridgetrans-128.5156171.5-71-176171.5-176.3-3.6107.9W343 R356 F360 N361W343-R358 WeakPolarHBondContact CH2-O 3.45Å; R356-R358 PolarHBondContact O-N 2.79Å; R358-F360 PolarHBondContact O-N 2.85Å; R358-N361 HydrophobicContact CB-CB 4.31Å; R358-N361 PolarHBondContact O-N 2.94Å
359W67.4Low85Confident225 Ų22570.2 Ų70.285%0.85234%0.339SS*.THydrogen-bonded Turntrans-52.3-31.4-172.2-157.2-1.3000114.1
360F67.9Low85.1Confident174 Ų17468.1 Ų68.176%0.76333%0.325SS*.THydrogen-bonded Turntrans-107.8-3.6-179.1-56.3-71.9000114.9R358R358-F360 PolarHBondContact O-N 2.85Å
361N72.3Confident85.2Confident94 Ų9468.4 Ų68.450%0.50332%0.323SS..BIsolated β-bridgetrans-113.3119.3-176.3-77.21.2000111.1W343 R358 P363W343-N361 WeakPolarHBondContact CZ3-O 3.24Å; R358-N361 HydrophobicContact CB-CB 4.31Å; R358-N361 PolarHBondContact O-N 2.94Å; N361-P363 WeakPolarHBondContact O-CD 3.36Å
362D82Confident85.2Confident7 Ų771.6 Ų71.64%0.03734%0.336CS..  trans-65.3117.7170.9175.15.6000109.6C364 S365D362-C364 PolarHBondContact O-N 2.97Å; D362-C364 VanDerWaalsContact O-N 3.1Å; D362-C364 WeakPolarHBondContact OD1-CB 3.43Å; D362-C364 PolarHBondContact OD1-N 3.19Å; D362-S365 WeakPolarHBondContact CB-OG 3.4Å; D362-S365 VanDerWaalsContact O-CB 3.28Å; D362-S365 WeakPolarHBondContact O-CB 3.33Å; D362-S365 PolarHBondContact O-N 3.32Å; D362-S365 PolarHBondContact O-OG 3.12Å
363P85.6Confident85.3Confident9 Ų973.1 Ų73.16%0.05835%0.345CS..G310 helixtrans-58.8-23.717926.3-36.3000112.3W343 P349 C353 G355 N361 S365 Q366W343-P363 VanDerWaalsContact CZ3-CD 3.47Å; W343-P363 HydrophobicContact CZ3-CG 4.46Å; P349-P363 HydrophobicContact CB-CG 4.24Å; P349-P363 HydrophobicContact CG-CG 4.08Å; C353-P363 HydrophobicContact CB-CB 4.39Å; G355-P363 VanDerWaalsContact CA-O 3.28Å; G355-P363 WeakPolarHBondContact CA-O 3.42Å; G355-P363 PolarHBondContact N-O 2.71Å; G355-P363 WeakPolarHBondContact O-CB 3.36Å; N361-P363 WeakPolarHBondContact O-CD 3.36Å; P363-S365 VanDerWaalsContact C-N 3.29Å; P363-S365 PolarHBondContact O-N 2.69Å; P363-Q366 VanDerWaalsContact O-O 3.11Å
364C90.9Very high85.4Confident0 Ų081.1 Ų81.10%037%0.373CS..G310 helixtrans-89.39.1179.8-57.30000113.4W352 C353 D362 Q366W352-C364 HydrophobicContact CH2-CB 3.59Å; W352-C364 HydrophobicContact CZ2-CB 4.13Å; W352-C364 HydrophobicContact CZ3-CB 4.02Å; C353-C364 HydrophobicContact CB-CB 4.02Å; C353-C364 WeakPolarHBondContact CB-SG 3.41Å; C353-C364 VanDerWaalsContact SG-CA 3.52Å; C353-C364 WeakPolarHBondContact SG-CB 3.45Å; C353-C364 CovalentContact SG-SG 2.05Å; C353-C364 PolarHBondContact SG-SG 2.93Å; D362-C364 PolarHBondContact O-N 2.97Å; D362-C364 VanDerWaalsContact O-N 3.1Å; D362-C364 WeakPolarHBondContact OD1-CB 3.43Å; D362-C364 PolarHBondContact OD1-N 3.19Å; C364-Q366 VanDerWaalsContact C-N 3.28Å
365S88.7Confident85.7Confident42 Ų4280.2 Ų80.229%0.29437%0.368SS..G310 helixtrans-75.9-17.7168-62.90000113.1D362 P363D362-S365 WeakPolarHBondContact CB-OG 3.4Å; D362-S365 VanDerWaalsContact O-CB 3.28Å; D362-S365 WeakPolarHBondContact O-CB 3.33Å; D362-S365 PolarHBondContact O-N 3.32Å; D362-S365 PolarHBondContact O-OG 3.12Å; P363-S365 VanDerWaalsContact C-N 3.29Å; P363-S365 PolarHBondContact O-N 2.69Å
366Q89.9Confident86.3Confident113 Ų11381.1 Ų81.153%0.52838%0.377SS..SBendtrans-124.8144.3169.1-67.3-171-16.100108.6T354 P363 C364T354-Q366 PolarHBondContact N-O 3.03Å; T354-Q366 PolarHBondContact OG1-O 3.37Å; P363-Q366 VanDerWaalsContact O-O 3.11Å; C364-Q366 VanDerWaalsContact C-N 3.28Å
367W92.9Very high87.1Confident16 Ų1676.5 Ų76.56%0.06137%0.373CS..BIsolated β-bridgetrans-141162.9-177.553.483.1000112.3L39 P40 P41 P108 A109 A112 F113 W352 T354L39-W367 HydrophobicContact CB-CH2 4.09Å; L39-W367 HydrophobicContact CB-CZ2 4.49Å; L39-W367 HydrophobicContact CD2-CH2 4.23Å; P40-W367 HydrophobicContact CB-CZ2 4.23Å; P40-W367 HydrophobicContact CG-CD2 4.5Å; P40-W367 HydrophobicContact CG-CZ2 4.46Å; P40-W367 WeakPolarHBondContact O-CZ2 3.34Å; P41-W367 PolarHBondContact O-NE1 3.06Å; P108-W367 HydrophobicContact CB-CZ3 4.19Å; A109-W367 HydrophobicContact CB-CE3 4.19Å; A109-W367 HydrophobicContact CB-CZ3 4.1Å; A112-W367 HydrophobicContact CB-CH2 3.38Å; A112-W367 HydrophobicContact CB-CZ2 3.27Å; F113-W367 AromaticContact CE2-CD1 3.86Å; F113-W367 AromaticContact CE2-CD2 3.91Å; F113-W367 HydrophobicContact CE2-CD2 3.91Å; F113-W367 AromaticContact CE2-CE2 3.68Å; F113-W367 HydrophobicContact CE2-CG 4.02Å; F113-W367 HydrophobicContact CE2-CZ2 4.2Å; F113-W367 AromaticContact CE2-NE1 3.65Å; F113-W367 AromaticContact CZ-CD1 3.79Å; F113-W367 HydrophobicContact CZ-CG 4.27Å; F113-W367 AromaticContact CZ-NE1 3.79Å; W352-W367 HydrophobicContact CE3-CB 3.72Å; W352-W367 HydrophobicContact CZ3-CB 4.15Å; W352-W367 WeakPolarHBondContact O-CA 3.47Å; W352-W367 VanDerWaalsContact O-CB 3.31Å; W352-W367 WeakPolarHBondContact O-CB 3.47Å; T354-W367 PolarHBondContact OG1-N 3.48Å
368S89.7Confident88.3Confident67 Ų6771.4 Ų71.447%0.46935%0.351SS..  trans-128.8-130.8174.8-178.70000109.9S43 W352 T354 V370S43-S368 WeakPolarHBondContact CB-O 3.32Å; S43-S368 PolarHBondContact OG-O 3.02Å; W352-S368 PolarHBondContact O-N 3.09Å; W352-S368 VanDerWaalsContact O-N 3.09Å; T354-S368 VanDerWaalsContact CG2-CB 3.5Å; S368-V370 PolarHBondContact O-N 2.82Å; S368-V370 VanDerWaalsContact O-N 3.16Å
369N93.8Very high89.5Confident54 Ų5464.3 Ų64.329%0.28933%0.325SS..  trans-72.6105.7-176.8-172.6-6.4000111.6N371 I372N369-N371 PolarHBondContact O-N 2.9Å; N369-N371 VanDerWaalsContact O-N 3.14Å; N369-N371 WeakPolarHBondContact OD1-CB 3.45Å; N369-N371 PolarHBondContact OD1-N 3.19Å; N369-N371 PolarHBondContact OD1-ND2 3.39Å; N369-I372 HydrophobicContact CB-CD1 3.89Å; N369-I372 HydrophobicContact CB-CG1 4.04Å; N369-I372 PolarHBondContact O-N 2.84Å
370V95.5Very high91Very high0 Ų058.6 Ų58.60%031%0.308CS..THydrogen-bonded Turntrans-71.80.5176.9-60.70000113.8V45 P79 R80 F113 W352 S368V45-V370 HydrophobicContact CG2-CG2 3.74Å; P79-V370 HydrophobicContact CB-CB 4.22Å; P79-V370 HydrophobicContact CB-CG1 3.67Å; P79-V370 HydrophobicContact CG-CG1 3.88Å; R80-V370 WeakPolarHBondContact CD-O 3.28Å; R80-V370 HydrophobicContact CG-CB 4.39Å; R80-V370 WeakPolarHBondContact CG-O 3.4Å; R80-V370 PolarHBondContact NH1-O 3.46Å; F113-V370 HydrophobicContact CE1-CG1 3.84Å; F113-V370 HydrophobicContact CE1-CG2 4.39Å; F113-V370 HydrophobicContact CZ-CG1 3.54Å; W352-V370 HydrophobicContact CB-CB 4.49Å; W352-V370 HydrophobicContact CB-CG1 4.08Å; S368-V370 PolarHBondContact O-N 2.82Å; S368-V370 VanDerWaalsContact O-N 3.16Å
371N96.4Very high92.4Very high22 Ų2253 Ų5312%0.11828%0.283CS..THydrogen-bonded Turntrans-93.8-5.9173.8-49.9-80.7000112.7Y44 R46 P52 R80 N369Y44-N371 PolarHBondContact O-ND2 2.68Å; R46-N371 WeakPolarHBondContact CA-OD1 3.33Å; R46-N371 VanDerWaalsContact CB-OD1 3.25Å; R46-N371 WeakPolarHBondContact CB-OD1 3.29Å; R46-N371 PolarHBondContact N-OD1 2.87Å; P52-N371 WeakPolarHBondContact CG-O 3.44Å; R80-N371 PolarHBondContact NH1-OD1 3.39Å; N369-N371 PolarHBondContact O-N 2.9Å; N369-N371 VanDerWaalsContact O-N 3.14Å; N369-N371 WeakPolarHBondContact OD1-CB 3.45Å; N369-N371 PolarHBondContact OD1-N 3.19Å; N369-N371 PolarHBondContact OD1-ND2 3.39Å
372I96Very high93.6Very high92 Ų9248.5 Ų48.547%0.47226%0.259SS..  trans-90.1132.2173.5-58.9176.6000107.4A351 N369A351-I372 HydrophobicContact CB-CB 4.45Å; A351-I372 HydrophobicContact CB-CG2 3.93Å; N369-I372 HydrophobicContact CB-CD1 3.89Å; N369-I372 HydrophobicContact CB-CG1 4.04Å; N369-I372 PolarHBondContact O-N 2.84Å
373V95.7Very high94.4Very high32 Ų3252.7 Ų52.719%0.19428%0.275CS..  trans-120.7143.4171.5-640000109.6D167 I170 H171D167-V373 HydrophobicContact CB-CB 4.28Å; I170-V373 HydrophobicContact CB-CG1 3.98Å; I170-V373 HydrophobicContact CD1-CG1 4.29Å; I170-V373 HydrophobicContact CG2-CG1 3.57Å; H171-V373 HydrophobicContact CB-CG2 4.32Å
374R95.9Very high94.9Very high188 Ų18859.6 Ų59.671%0.70930%0.304SS*.  trans-123.698.8175.9-178.6-178.7-66.7174.4-0.9108.7D167 A351D167-R374 WeakPolarHBondContact CB-O 3.08Å; D167-R374 PolarHBondContact OD2-N 3.14Å; A351-R374 HydrophobicContact CB-CB 3.74Å
375P96.5Very high95.2Very high53 Ų5361.3 Ų61.334%0.34431%0.312SS..  trans-62.1139.8175.527.9-34.8000110.4D168 H171 A379D168-P375 WeakPolarHBondContact OD1-CA 3.49Å; H171-P375 HydrophobicContact CB-CB 4.01Å; H171-P375 HydrophobicContact CB-CG 4.4Å; P375-A379 HydrophobicContact CB-CB 3.57Å
376G94.7Very high95.7Very high32 Ų3259.3 Ų59.333%0.3330%0.298SS..  trans-97.1-169.3167.700000112.4D168 Q378 A379D168-G376 WeakPolarHBondContact OD1-CA 3.49Å; D168-G376 PolarHBondContact OD1-N 3.23Å; G376-Q378 VanDerWaalsContact C-N 3.31Å; G376-Q378 PolarHBondContact O-N 2.96Å; G376-A379 WeakPolarHBondContact O-CB 3.38Å; G376-A379 PolarHBondContact O-N 3.49Å
377P94.3Very high96Very high98 Ų9857.5 Ų57.564%0.63629%0.292SS*.THydrogen-bonded Turntrans-62.8-32.1-173.2-24.835.1000114.6A379 E380P377-A379 VanDerWaalsContact C-N 3.29Å; P377-A379 PolarHBondContact O-N 2.99Å; P377-E380 PolarHBondContact O-N 3.15Å
378Q96.5Very high96.1Very high26 Ų2661.4 Ų61.412%0.12131%0.311CS..Hα-helixtrans-72-22.1-178.7-62.9-54.3-23.900113.5V164 V339 G376 E380 K381 F382V164-Q378 HydrophobicContact CG1-CB 4.03Å; V339-Q378 HydrophobicContact CG1-CG 3.87Å; G376-Q378 VanDerWaalsContact C-N 3.31Å; G376-Q378 PolarHBondContact O-N 2.96Å; Q378-E380 PolarHBondContact O-N 2.93Å; Q378-K381 PolarHBondContact O-N 2.94Å; Q378-F382 WeakPolarHBondContact O-CB 3.46Å; Q378-F382 PolarHBondContact O-N 2.77Å
379A97.7Very high96.3Very high6 Ų658.8 Ų58.85%0.0529%0.291CS..Hα-helixtrans-57.6-32.717500000112.3D168 V172 P375 G376 P377 R383D168-A379 HydrophobicContact CB-CB 3.94Å; D168-A379 WeakPolarHBondContact OD1-CB 3.3Å; V172-A379 HydrophobicContact CG2-CB 4.28Å; V172-A379 WeakPolarHBondContact CG2-O 3.26Å; P375-A379 HydrophobicContact CB-CB 3.57Å; G376-A379 WeakPolarHBondContact O-CB 3.38Å; G376-A379 PolarHBondContact O-N 3.49Å; P377-A379 VanDerWaalsContact C-N 3.29Å; P377-A379 PolarHBondContact O-N 2.99Å; A379-R383 WeakPolarHBondContact O-CB 3.34Å; A379-R383 PolarHBondContact O-N 2.96Å
380E97.5Very high96.4Very high105 Ų10558.3 Ų58.349%0.49129%0.288SS..Hα-helixtrans-66.7-50.3-179.9-173.957.6-137.800111.7P377 Q378 F382 R383 K384P377-E380 PolarHBondContact O-N 3.15Å; Q378-E380 PolarHBondContact O-N 2.93Å; E380-F382 VanDerWaalsContact C-N 3.3Å; E380-F382 PolarHBondContact O-N 2.92Å; E380-R383 PolarHBondContact O-N 3.41Å; E380-R383 IonicContact OE1-CZ 2.64Å; E380-R383 IonicContact OE1-NE 3.36Å; E380-R383 IonicContact OE1-NH2 3.78Å; E380-R383 PolarHBondContact OE1-NH2 2.81Å; E380-R383 IonicContact OE2-CZ 3.37Å; E380-R383 VanDerWaalsContact OE2-CZ 3.29Å; E380-R383 IonicContact OE2-NE 3.45Å; E380-R383 IonicContact OE2-NH2 3.67Å; E380-R383 PolarHBondContact OE2-NH2 2.92Å; E380-K384 PolarHBondContact O-N 3.47Å
381K97.1Very high96.3Very high56 Ų5664.8 Ų64.824%0.24332%0.319CS..Hα-helixtrans-62.5-42.6177.2-58.5-169-172.2-1700110.7V315 E316 Q378 K384 H385V315-K381 WeakPolarHBondContact O-CD 3.37Å; V315-K381 PolarHBondContact O-NZ 3.49Å; E316-K381 IonicContact OE1-NZ 3.65Å; E316-K381 PolarHBondContact OE1-NZ 2.98Å; E316-K381 IonicContact OE2-NZ 3.77Å; E316-K381 PolarHBondContact OE2-NZ 3.48Å; Q378-K381 PolarHBondContact O-N 2.94Å; K381-K384 WeakPolarHBondContact O-CB 3.37Å; K381-K384 PolarHBondContact O-N 3.47Å; K381-H385 PolarHBondContact O-N 2.83Å
382F98.3Very high96Very high0 Ų067.5 Ų67.50%033%0.331CS..Hα-helixtrans-64.7-41.2178.6-179.8-137.5000112.9V164 L169 V172 F173 M290 G318 P320 Q378 E380 K384 H385 M386V164-F382 HydrophobicContact CG1-CB 4.09Å; V164-F382 HydrophobicContact CG1-CD1 4.44Å; V164-F382 HydrophobicContact CG1-CG 4.3Å; L169-F382 HydrophobicContact CD1-CE1 3.74Å; L169-F382 HydrophobicContact CD1-CZ 4.05Å; V172-F382 HydrophobicContact CB-CD1 3.6Å; V172-F382 HydrophobicContact CB-CE1 3.62Å; V172-F382 HydrophobicContact CG1-CD1 3.76Å; V172-F382 HydrophobicContact CG1-CE1 3.65Å; V172-F382 HydrophobicContact CG1-CG 4.36Å; V172-F382 HydrophobicContact CG1-CZ 4.17Å; V172-F382 HydrophobicContact CG2-CB 4.44Å; V172-F382 HydrophobicContact CG2-CD1 3.58Å; V172-F382 HydrophobicContact CG2-CE1 4.15Å; V172-F382 HydrophobicContact CG2-CG 4.3Å; F173-F382 HydrophobicContact CD2-CE1 4.08Å; F173-F382 HydrophobicContact CD2-CZ 4.14Å; F173-F382 HydrophobicContact CE2-CE1 4.05Å; F173-F382 AromaticContact CE2-CZ 3.68Å; F173-F382 HydrophobicContact CE2-CZ 3.68Å; M290-F382 HydrophobicContact CE-CE2 3.44Å; M290-F382 VanDerWaalsContact CE-CE2 3.44Å; M290-F382 HydrophobicContact CE-CZ 3.91Å; G318-F382 WeakPolarHBondContact O-CA 3.33Å; G318-F382 VanDerWaalsContact O-CD2 3.28Å; G318-F382 WeakPolarHBondContact O-CD2 3.37Å; P320-F382 HydrophobicContact CB-CD2 4.34Å; P320-F382 HydrophobicContact CB-CE1 4.39Å; P320-F382 HydrophobicContact CB-CE2 4Å; P320-F382 HydrophobicContact CB-CZ 4.02Å; P320-F382 HydrophobicContact CG-CD2 4.35Å; P320-F382 HydrophobicContact CG-CE2 3.7Å; P320-F382 HydrophobicContact CG-CZ 3.93Å; Q378-F382 WeakPolarHBondContact O-CB 3.46Å; Q378-F382 PolarHBondContact O-N 2.77Å; E380-F382 VanDerWaalsContact C-N 3.3Å; E380-F382 PolarHBondContact O-N 2.92Å; F382-K384 VanDerWaalsContact C-N 3.33Å; F382-K384 PolarHBondContact O-N 3.27Å; F382-H385 PolarHBondContact O-N 2.85Å; F382-M386 HydrophobicContact CE1-CE 4.42Å; F382-M386 HydrophobicContact CE2-CB 4.47Å; F382-M386 HydrophobicContact CE2-CE 3.76Å; F382-M386 HydrophobicContact CZ-CE 3.44Å; F382-M386 VanDerWaalsContact CZ-CE 3.44Å; F382-M386 VanDerWaalsContact O-CB 3.24Å; F382-M386 WeakPolarHBondContact O-CB 3.25Å; F382-M386 PolarHBondContact O-N 3.39Å
383R98.2Very high95.6Very high95 Ų9564 Ų6436%0.35831%0.314SS..Hα-helixtrans-60.6-42.9173.4-177178.364.6176.24.3111.8V172 A379 E380 M386 N387V172-R383 HydrophobicContact CG1-CB 4.39Å; V172-R383 HydrophobicContact CG2-CB 4.05Å; A379-R383 WeakPolarHBondContact O-CB 3.34Å; A379-R383 PolarHBondContact O-N 2.96Å; E380-R383 PolarHBondContact O-N 3.41Å; E380-R383 IonicContact OE1-CZ 2.64Å; E380-R383 IonicContact OE1-NE 3.36Å; E380-R383 IonicContact OE1-NH2 3.78Å; E380-R383 PolarHBondContact OE1-NH2 2.81Å; E380-R383 IonicContact OE2-CZ 3.37Å; E380-R383 VanDerWaalsContact OE2-CZ 3.29Å; E380-R383 IonicContact OE2-NE 3.45Å; E380-R383 IonicContact OE2-NH2 3.67Å; E380-R383 PolarHBondContact OE2-NH2 2.92Å; R383-M386 PolarHBondContact O-N 2.84Å; R383-N387 VanDerWaalsContact O-CG 3.29Å; R383-N387 PolarHBondContact O-N 2.92Å
384K97.6Very high95.1Very high154 Ų15466.7 Ų66.767%0.6734%0.339SS*.Hα-helixtrans-60.8-48.5177-173.9-176.2176.4-172.20111.2E380 K381 F382 N387 Q388E380-K384 PolarHBondContact O-N 3.47Å; K381-K384 WeakPolarHBondContact O-CB 3.37Å; K381-K384 PolarHBondContact O-N 3.47Å; F382-K384 VanDerWaalsContact C-N 3.33Å; F382-K384 PolarHBondContact O-N 3.27Å; K384-N387 PolarHBondContact O-N 2.82Å; K384-Q388 PolarHBondContact O-N 3.43Å; K384-Q388 VanDerWaalsContact O-N 3.14Å
385H97Very high94.4Very high36 Ų3661.1 Ų61.117%0.16733%0.33CS..Hα-helixtrans-60.8-45.6176.6-178.877.5000111.8K381 F382 N387 Q388 I389K381-H385 PolarHBondContact O-N 2.83Å; F382-H385 PolarHBondContact O-N 2.85Å; H385-N387 PolarHBondContact O-N 2.94Å; H385-Q388 WeakPolarHBondContact O-CB 3.37Å; H385-Q388 PolarHBondContact O-N 2.84Å; H385-I389 PolarHBondContact O-N 3.31Å; H385-I389 VanDerWaalsContact O-N 3.07Å
386M97.8Very high93.1Very high0 Ų060.1 Ų60.10%033%0.328CS..Hα-helixtrans-58.4-45.1178-179.561.473.100112.6V172 F173 V176 F182 M290 F382 R383 Q388 I389 I390V172-M386 HydrophobicContact CG1-CB 3.93Å; V172-M386 HydrophobicContact CG1-CG 4Å; F173-M386 HydrophobicContact CD2-CE 4.33Å; F173-M386 HydrophobicContact CE1-CE 4.46Å; F173-M386 HydrophobicContact CE2-CE 3.83Å; F173-M386 HydrophobicContact CZ-CE 3.89Å; V176-M386 HydrophobicContact CG2-CE 4.13Å; V176-M386 HydrophobicContact CG2-CG 3.73Å; V176-M386 HydrophobicContact CG2-SD 3.78Å; F182-M386 HydrophobicContact CE1-CE 3.82Å; F182-M386 HydrophobicContact CE1-SD 3.37Å; F182-M386 WeakPolarHBondContact CE1-SD 3.4Å; F182-M386 HydrophobicContact CZ-CE 3.81Å; F182-M386 HydrophobicContact CZ-SD 3.53Å; F182-M386 VanDerWaalsContact CZ-SD 3.53Å; M290-M386 HydrophobicContact CE-CE 3.43Å; M290-M386 VanDerWaalsContact CE-CE 3.43Å; M290-M386 HydrophobicContact CE-SD 4.39Å; F382-M386 HydrophobicContact CE1-CE 4.42Å; F382-M386 HydrophobicContact CE2-CB 4.47Å; F382-M386 HydrophobicContact CE2-CE 3.76Å; F382-M386 HydrophobicContact CZ-CE 3.44Å; F382-M386 VanDerWaalsContact CZ-CE 3.44Å; F382-M386 VanDerWaalsContact O-CB 3.24Å; F382-M386 WeakPolarHBondContact O-CB 3.25Å; F382-M386 PolarHBondContact O-N 3.39Å; R383-M386 PolarHBondContact O-N 2.84Å; M386-Q388 VanDerWaalsContact C-N 3.35Å; M386-I389 WeakPolarHBondContact O-CG1 3.23Å; M386-I389 HydrophobicContact SD-CD1 4.09Å; M386-I389 HydrophobicContact SD-CG1 4.41Å; M386-I390 HydrophobicContact CG-CD1 3.96Å; M386-I390 WeakPolarHBondContact O-CG1 3.28Å; M386-I390 PolarHBondContact O-N 3.46Å; M386-I390 VanDerWaalsContact O-N 3.16Å; M386-I390 HydrophobicContact SD-CD1 3.77Å; M386-I390 HydrophobicContact SD-CG1 4.22Å
387N96.7Very high91.4Very high75 Ų7563.7 Ų63.740%0.40134%0.34SS..Hα-helixtrans-63.4-43.7178-71.4-8.4000111.1R383 K384 H385 I389 I390 E391R383-N387 VanDerWaalsContact O-CG 3.29Å; R383-N387 PolarHBondContact O-N 2.92Å; K384-N387 PolarHBondContact O-N 2.82Å; H385-N387 PolarHBondContact O-N 2.94Å; N387-I389 PolarHBondContact O-N 3.26Å; N387-I390 PolarHBondContact O-N 2.87Å; N387-E391 WeakPolarHBondContact O-CB 3.26Å; N387-E391 WeakPolarHBondContact O-CG 3.45Å; N387-E391 PolarHBondContact O-N 3.48Å
388Q95.3Very high89.8Confident99 Ų9962.2 Ų62.246%0.46333%0.327SS..Hα-helixtrans-57.4-51.8178.4-179.8-177.8-11.300111.8K384 H385 M386 I390 E391 E392K384-Q388 PolarHBondContact O-N 3.43Å; K384-Q388 VanDerWaalsContact O-N 3.14Å; H385-Q388 WeakPolarHBondContact O-CB 3.37Å; H385-Q388 PolarHBondContact O-N 2.84Å; M386-Q388 VanDerWaalsContact C-N 3.35Å; Q388-I390 VanDerWaalsContact C-N 3.31Å; Q388-I390 PolarHBondContact O-N 3.41Å; Q388-E391 PolarHBondContact O-N 2.9Å; Q388-E392 HydrophobicContact CG-CG 4.49Å; Q388-E392 VanDerWaalsContact CG-OE1 3.27Å; Q388-E392 WeakPolarHBondContact CG-OE1 3.35Å; Q388-E392 PolarHBondContact NE2-OE1 3.43Å; Q388-E392 WeakPolarHBondContact O-CB 3.38Å; Q388-E392 WeakPolarHBondContact O-CG 3.48Å; Q388-E392 PolarHBondContact O-N 2.74Å
389I94.8Very high88.7Confident12 Ų1263.1 Ų63.16%0.06234%0.336CS..Hα-helixtrans-67.3-31-177.463.2176.3000112.8F182 V286 M290 H385 M386 N387 S393F182-I389 HydrophobicContact CD1-CD1 4.02Å; F182-I389 HydrophobicContact CE1-CD1 3.96Å; V286-I389 HydrophobicContact CG1-CB 4.07Å; V286-I389 HydrophobicContact CG1-CD1 3.99Å; V286-I389 HydrophobicContact CG1-CG1 3.92Å; M290-I389 HydrophobicContact CE-CD1 3.84Å; M290-I389 HydrophobicContact SD-CD1 3.23Å; M290-I389 WeakPolarHBondContact SD-CD1 3.47Å; H385-I389 PolarHBondContact O-N 3.31Å; H385-I389 VanDerWaalsContact O-N 3.07Å; M386-I389 WeakPolarHBondContact O-CG1 3.23Å; M386-I389 HydrophobicContact SD-CD1 4.09Å; M386-I389 HydrophobicContact SD-CG1 4.41Å; N387-I389 PolarHBondContact O-N 3.26Å; I389-S393 WeakPolarHBondContact O-CB 3.34Å; I389-S393 PolarHBondContact O-N 2.84Å
390I94.6Very high88.2Confident43 Ų4363.3 Ų63.322%0.22134%0.337CS..Hα-helixtrans-70.8-43.8175.6-71.2174.1000110.3V176 L180 V286 M386 N387 Q388 S393 A394V176-I390 HydrophobicContact CG1-CD1 4.35Å; V176-I390 HydrophobicContact CG2-CD1 4.25Å; L180-I390 HydrophobicContact CD1-CD1 4.2Å; L180-I390 HydrophobicContact CD1-CG1 4.33Å; V286-I390 HydrophobicContact CG2-CG1 4.31Å; M386-I390 HydrophobicContact CG-CD1 3.96Å; M386-I390 WeakPolarHBondContact O-CG1 3.28Å; M386-I390 PolarHBondContact O-N 3.46Å; M386-I390 VanDerWaalsContact O-N 3.16Å; M386-I390 HydrophobicContact SD-CD1 3.77Å; M386-I390 HydrophobicContact SD-CG1 4.22Å; N387-I390 PolarHBondContact O-N 2.87Å; Q388-I390 VanDerWaalsContact C-N 3.31Å; Q388-I390 PolarHBondContact O-N 3.41Å; I390-S393 PolarHBondContact O-N 2.87Å; I390-A394 WeakPolarHBondContact O-CB 3.38Å; I390-A394 PolarHBondContact O-N 3.27Å
391E93.2Very high87.4Confident137 Ų13764.1 Ų64.164%0.6434%0.339SS*.Hα-helixtrans-62.4-44.4176-75.1174.4-168.700111.7N387 Q388 S393 A394 S395N387-E391 WeakPolarHBondContact O-CB 3.26Å; N387-E391 WeakPolarHBondContact O-CG 3.45Å; N387-E391 PolarHBondContact O-N 3.48Å; Q388-E391 PolarHBondContact O-N 2.9Å; E391-S393 VanDerWaalsContact C-N 3.33Å; E391-S393 PolarHBondContact O-N 3.33Å; E391-A394 PolarHBondContact O-N 2.93Å; E391-S395 PolarHBondContact O-N 2.95Å
392E90.7Very high86.3Confident79 Ų7967.9 Ų67.937%0.36936%0.357SS..Hα-helixtrans-60.2-42175.3-74.8174.4-167.400111.6Q388 S395Q388-E392 HydrophobicContact CG-CG 4.49Å; Q388-E392 VanDerWaalsContact CG-OE1 3.27Å; Q388-E392 WeakPolarHBondContact CG-OE1 3.35Å; Q388-E392 PolarHBondContact NE2-OE1 3.43Å; Q388-E392 WeakPolarHBondContact O-CB 3.38Å; Q388-E392 WeakPolarHBondContact O-CG 3.48Å; Q388-E392 PolarHBondContact O-N 2.74Å; E392-S395 PolarHBondContact O-N 3.5Å; E392-S395 PolarHBondContact O-OG 2.87Å
393S87.6Confident85.7Confident18 Ų1871.3 Ų71.313%0.12638%0.375CS..Hα-helixtrans-65.4-42175.8-169.30000112.3T285 I389 I390 E391 S395 G396T285-S393 PolarHBondContact O-OG 2.87Å; I389-S393 WeakPolarHBondContact O-CB 3.34Å; I389-S393 PolarHBondContact O-N 2.84Å; I390-S393 PolarHBondContact O-N 2.87Å; E391-S393 VanDerWaalsContact C-N 3.33Å; E391-S393 PolarHBondContact O-N 3.33Å; S393-S395 PolarHBondContact O-N 2.76Å; S393-G396 PolarHBondContact O-N 2.99Å; S393-G396 VanDerWaalsContact O-N 3.09Å
394A84.9Confident85Confident88 Ų8870 Ų7073%0.72738%0.376SS*.Hα-helixtrans-63.9-26.5178.100000112.9I390 E391 G396I390-A394 WeakPolarHBondContact O-CB 3.38Å; I390-A394 PolarHBondContact O-N 3.27Å; E391-A394 PolarHBondContact O-N 2.93Å; A394-G396 PolarHBondContact O-N 3.49Å
395S81.3Confident84.3Confident72 Ų7265.3 Ų65.350%0.50336%0.36SS..THydrogen-bonded Turntrans-70.1-5.4175.479.40000114.2E391 E392 S393 N397E391-S395 PolarHBondContact O-N 2.95Å; E392-S395 PolarHBondContact O-N 3.5Å; E392-S395 PolarHBondContact O-OG 2.87Å; S393-S395 PolarHBondContact O-N 2.76Å; S395-N397 PolarHBondContact O-N 3.32Å; S395-N397 VanDerWaalsContact O-N 3.09Å
396G68.5Low83.5Confident31 Ų3167.1 Ų67.132%0.3237%0.371SS..SBendtrans77.1-14.7175.500000115S393 A394 N398 S399S393-G396 PolarHBondContact O-N 2.99Å; S393-G396 VanDerWaalsContact O-N 3.09Å; A394-G396 PolarHBondContact O-N 3.49Å; G396-N398 PolarHBondContact O-N 3.33Å; G396-S399 PolarHBondContact O-N 3.31Å; G396-S399 PolarHBondContact O-OG 2.77Å
397N60Low82.7Confident107 Ų10771.3 Ų71.357%0.57239%0.394SS*.THydrogen-bonded Turntrans-62-29-177.1-85.8-18.8000113.9S395 K401S395-N397 PolarHBondContact O-N 3.32Å; S395-N397 VanDerWaalsContact O-N 3.09Å; N397-K401 WeakPolarHBondContact O-CE 3.4Å; N397-K401 PolarHBondContact O-NZ 3.44Å
398N60.1Low81.7Confident67 Ų6771 Ų7136%0.35839%0.394SS..THydrogen-bonded Turntrans-116.315-175.5-65.2-13.3000113.5N287 G396N287-N398 HydrophobicContact CB-CB 3.88Å; N287-N398 WeakPolarHBondContact CB-O 3.31Å; N287-N398 PolarHBondContact ND2-O 2.9Å; G396-N398 PolarHBondContact O-N 3.33Å
399S73.1Confident80.7Confident45 Ų4569 Ų6932%0.31539%0.389SS..SBendtrans-78.4167.9178.465.70000112G396 K401G396-S399 PolarHBondContact O-N 3.31Å; G396-S399 PolarHBondContact O-OG 2.77Å; S399-K401 PolarHBondContact O-N 2.99Å
400C87.8Confident79.7Confident10 Ų1073.4 Ų73.47%0.06841%0.414CS..  trans-53.674174.1-65.30000113.2H185 F230 C277 R282 Q402H185-C400 PolarHBondContact NE2-N 3.09Å; F230-C400 HydrophobicContact CE1-CB 4.26Å; F230-C400 HydrophobicContact CZ-CB 4.16Å; C277-C400 WeakPolarHBondContact CA-SG 3.34Å; C277-C400 HydrophobicContact CB-CB 3.48Å; C277-C400 VanDerWaalsContact CB-CB 3.48Å; C277-C400 WeakPolarHBondContact CB-SG 3.27Å; C277-C400 WeakPolarHBondContact SG-CB 3.4Å; C277-C400 CovalentContact SG-SG 2.04Å; C277-C400 PolarHBondContact SG-SG 3.49Å; R282-C400 HydrophobicContact CB-CB 4.23Å; C400-Q402 PolarHBondContact O-N 3.44Å; C400-Q402 VanDerWaalsContact O-N 3.09Å
401K80.2Confident78.4Confident122 Ų12275.9 Ų75.953%0.5343%0.43SS..  trans-62.7112.5-178.4-79.2179.2-178.7167.60108.6S187 K228 F230 N397 S399S187-K401 PolarHBondContact OG-O 3.37Å; K228-K401 PolarHBondContact NZ-O 2.97Å; F230-K401 WeakPolarHBondContact CZ-O 3.49Å; N397-K401 WeakPolarHBondContact O-CE 3.4Å; N397-K401 PolarHBondContact O-NZ 3.44Å; S399-K401 PolarHBondContact O-N 2.99Å
402Q73.6Confident77.1Confident135 Ų13570.4 Ų70.463%0.63141%0.411SS*.  trans-70.50177.4-67.1-63.3-38.600112.2K228 C277 C400K228-Q402 WeakPolarHBondContact CD-OXT 3.34Å; K228-Q402 WeakPolarHBondContact CE-OXT 3.48Å; K228-Q402 PolarHBondContact NZ-O 3.39Å; K228-Q402 PolarHBondContact NZ-OXT 2.99Å; C277-Q402 PolarHBondContact O-NE2 2.91Å; C400-Q402 PolarHBondContact O-N 3.44Å; C400-Q402 VanDerWaalsContact O-N 3.09Å

Retrieved 402 of 402 residues in 1570.8 ms (Link to these results)

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