A0A093HXW5_STRCA Loading...

Transmembrane protein with metallophosphoesterase domain

AlphaFold DB , UniProt , Accession A0A093HXW5, Species STRCA (Struthio camelus australis), Gene n/a, Length 437 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
1M49.2Very low77Confident243 Ų243104.5 Ų104.5100%1.19753%0.532SS*.  0118.70-74.7167.890.700108.4S3M1-S3 PolarHBondContact O-N 2.75Å
2I59.8Low77.6Confident130 Ų130100.4 Ų100.467%0.66751%0.508SS*.  trans-70.7124.7171.6-62.7171.7000106.9Q6 L7I2-Q6 HydrophobicContact CG2-CB 4.01Å; I2-L7 HydrophobicContact CG2-CD2 4.1Å
3S79.9Confident77.9Confident58 Ų5893 Ų9341%0.40647%0.472SS..  trans-67.1140.4179.3178.40000110M1 K5 Q6M1-S3 PolarHBondContact O-N 2.75Å; S3-K5 PolarHBondContact O-N 3.01Å; S3-Q6 WeakPolarHBondContact O-CA 3.43Å; S3-Q6 WeakPolarHBondContact O-CB 3.38Å; S3-Q6 PolarHBondContact O-N 3.41Å
4F77.6Confident78.3Confident111 Ų11190 Ų9049%0.48747%0.468SS..G310 helixtrans-51.9-32.2175.3-174.1-98.4000112.3Q6 L7 K12 V15F4-Q6 PolarHBondContact O-N 3.15Å; F4-L7 HydrophobicContact CD2-CD1 3.82Å; F4-L7 HydrophobicContact CE2-CD1 4.33Å; F4-L7 PolarHBondContact O-N 3.05Å; F4-K12 HydrophobicContact CE1-CD 4.32Å; F4-K12 HydrophobicContact CE1-CG 4.03Å; F4-K12 HydrophobicContact CE2-CB 4.41Å; F4-K12 HydrophobicContact CE2-CG 4.14Å; F4-K12 HydrophobicContact CZ-CB 3.92Å; F4-K12 HydrophobicContact CZ-CG 3.77Å; F4-K12 WeakPolarHBondContact O-CE 3.47Å; F4-V15 HydrophobicContact CD2-CG1 4.5Å; F4-V15 HydrophobicContact CE2-CB 4.03Å; F4-V15 HydrophobicContact CE2-CG1 3.8Å; F4-V15 HydrophobicContact CE2-CG2 4.46Å
5K78.4Confident78.7Confident177 Ų17789.1 Ų89.177%0.7747%0.468SS*.G310 helixtrans-59.6-34.7174.9-70.6-172.3178.7-178.10112.8S3 K12S3-K5 PolarHBondContact O-N 3.01Å; K5-K12 PolarHBondContact O-NZ 2.63Å
6Q84.8Confident79Confident142 Ų14286.2 Ų86.266%0.66446%0.46SS*.G310 helixtrans-82.4-11-177.3-64.5171.6-18.900113.5I2 S3 F4I2-Q6 HydrophobicContact CG2-CB 4.01Å; S3-Q6 WeakPolarHBondContact O-CA 3.43Å; S3-Q6 WeakPolarHBondContact O-CB 3.38Å; S3-Q6 PolarHBondContact O-N 3.41Å; F4-Q6 PolarHBondContact O-N 3.15Å
7L84.4Confident79.2Confident45 Ų4581.5 Ų81.524%0.23644%0.437CS..SBendtrans-68143177.2-68.5177000111.4I2 F4 A11 K12I2-L7 HydrophobicContact CG2-CD2 4.1Å; F4-L7 HydrophobicContact CD2-CD1 3.82Å; F4-L7 HydrophobicContact CE2-CD1 4.33Å; F4-L7 PolarHBondContact O-N 3.05Å; L7-A11 HydrophobicContact CB-CB 4.12Å; L7-A11 HydrophobicContact CD2-CB 4.33Å; L7-K12 HydrophobicContact CB-CG 3.96Å; L7-K12 WeakPolarHBondContact O-CE 3.47Å; L7-K12 PolarHBondContact O-NZ 3.46Å
8P86.2Confident79.5Confident76 Ų7679.2 Ų79.249%0.49444%0.435SS..  trans-61.7156.3169.327.7-33.5000110.3E10 A11 K12P8-E10 PolarHBondContact O-N 3.3Å; P8-A11 HydrophobicContact CG-CB 3.74Å; P8-A11 PolarHBondContact O-N 3.19Å; P8-K12 PolarHBondContact O-N 3.09Å
9L82.7Confident79.8Confident91 Ų9178.2 Ų78.248%0.47644%0.438SS..Hα-helixtrans-60.9-32.8-174.2-170.262.1000112.4K12 A13 L61L9-K12 HydrophobicContact CD1-CD 4.48Å; L9-K12 WeakPolarHBondContact O-CB 3.38Å; L9-K12 PolarHBondContact O-N 3.41Å; L9-A13 PolarHBondContact O-N 3.34Å; L9-L61 HydrophobicContact CB-CD1 4.13Å; L9-L61 HydrophobicContact CD2-CD1 3.73Å; L9-L61 HydrophobicContact CD2-CD2 3.45Å; L9-L61 VanDerWaalsContact CD2-CD2 3.45Å; L9-L61 HydrophobicContact CD2-CG 4.23Å; L9-L61 HydrophobicContact CG-CD1 3.68Å; L9-L61 HydrophobicContact CG-CD2 4.36Å
10E80.5Confident80Confident47 Ų4775.5 Ų75.522%0.2242%0.424CS..Hα-helixtrans-63.2-43.9174-64.174.7-165.800112P8 K12 A13 A14 L61 R65P8-E10 PolarHBondContact O-N 3.3Å; E10-K12 VanDerWaalsContact C-N 3.31Å; E10-K12 PolarHBondContact O-N 2.88Å; E10-A13 PolarHBondContact O-N 3.17Å; E10-A14 WeakPolarHBondContact O-CB 3.43Å; E10-A14 PolarHBondContact O-N 3.16Å; E10-L61 HydrophobicContact CG-CD1 4.39Å; E10-R65 IonicContact OE1-CZ 3.72Å; E10-R65 IonicContact OE1-NE 2.72Å; E10-R65 IonicContact OE1-NH1 2.61Å; E10-R65 PolarHBondContact OE1-NH1 3.26Å; E10-R65 IonicContact OE1-NH2 3.77Å; E10-R65 PolarHBondContact OE1-NH2 3.16Å; E10-R65 IonicContact OE2-NH1 2.74Å; E10-R65 IonicContact OE2-NH2 2.81Å; E10-R65 PolarHBondContact OE2-NH2 3.39Å
11A83.5Confident80.1Confident29 Ų2977.1 Ų77.124%0.2443%0.426CS..Hα-helixtrans-67.3-35.8177.300000111L7 P8 A14 V15L7-A11 HydrophobicContact CB-CB 4.12Å; L7-A11 HydrophobicContact CD2-CB 4.33Å; P8-A11 HydrophobicContact CG-CB 3.74Å; P8-A11 PolarHBondContact O-N 3.19Å; A11-A14 PolarHBondContact O-N 2.94Å; A11-V15 VanDerWaalsContact O-CG2 3.26Å; A11-V15 WeakPolarHBondContact O-CG2 3.46Å; A11-V15 PolarHBondContact O-N 3.32Å
12K84.2Confident81.8Confident56 Ų5672.1 Ų72.124%0.24340%0.398CS..Hα-helixtrans-62.8-44.1172.5-67.9172.4174.2152.10111.7F4 K5 L7 P8 L9 E10 V15 A16F4-K12 HydrophobicContact CE1-CD 4.32Å; F4-K12 HydrophobicContact CE1-CG 4.03Å; F4-K12 HydrophobicContact CE2-CB 4.41Å; F4-K12 HydrophobicContact CE2-CG 4.14Å; F4-K12 HydrophobicContact CZ-CB 3.92Å; F4-K12 HydrophobicContact CZ-CG 3.77Å; F4-K12 WeakPolarHBondContact O-CE 3.47Å; K5-K12 PolarHBondContact O-NZ 2.63Å; L7-K12 HydrophobicContact CB-CG 3.96Å; L7-K12 WeakPolarHBondContact O-CE 3.47Å; L7-K12 PolarHBondContact O-NZ 3.46Å; P8-K12 PolarHBondContact O-N 3.09Å; L9-K12 HydrophobicContact CD1-CD 4.48Å; L9-K12 WeakPolarHBondContact O-CB 3.38Å; L9-K12 PolarHBondContact O-N 3.41Å; E10-K12 VanDerWaalsContact C-N 3.31Å; E10-K12 PolarHBondContact O-N 2.88Å; K12-V15 PolarHBondContact O-N 3.42Å; K12-A16 PolarHBondContact O-N 3.05Å
13A81.5Confident83Confident4 Ų468.5 Ų68.53%0.03339%0.385CS..Hα-helixtrans-63.4-42.5176.300000111.9L9 E10 A16 A17 L57 I58L9-A13 PolarHBondContact O-N 3.34Å; E10-A13 PolarHBondContact O-N 3.17Å; A13-A16 PolarHBondContact O-N 2.94Å; A13-A17 PolarHBondContact O-N 3.49Å; A13-L57 HydrophobicContact CB-CD2 3.98Å; A13-L57 HydrophobicContact CB-CG 4.29Å; A13-I58 HydrophobicContact CB-CG1 3.77Å
14A83.1Confident83Confident51 Ų5166.7 Ų66.742%0.42137%0.371SS..Hα-helixtrans-63-41.4175.800000112.5E10 A11 A17 G18 I58E10-A14 WeakPolarHBondContact O-CB 3.43Å; E10-A14 PolarHBondContact O-N 3.16Å; A11-A14 PolarHBondContact O-N 2.94Å; A14-A17 PolarHBondContact O-N 3.25Å; A14-G18 PolarHBondContact O-N 2.91Å; A14-I58 HydrophobicContact CB-CD1 4.41Å
15V85.4Confident83.1Confident77 Ų7766.4 Ų66.447%0.46737%0.373SS..Hα-helixtrans-63.4-42.2174.2171.30000111.1F4 A11 K12 G18 A19F4-V15 HydrophobicContact CD2-CG1 4.5Å; F4-V15 HydrophobicContact CE2-CB 4.03Å; F4-V15 HydrophobicContact CE2-CG1 3.8Å; F4-V15 HydrophobicContact CE2-CG2 4.46Å; A11-V15 VanDerWaalsContact O-CG2 3.26Å; A11-V15 WeakPolarHBondContact O-CG2 3.46Å; A11-V15 PolarHBondContact O-N 3.32Å; K12-V15 PolarHBondContact O-N 3.42Å; V15-G18 PolarHBondContact O-N 3.08Å; V15-A19 PolarHBondContact O-N 3.44Å
16A83.4Confident83.2Confident42 Ų4260.1 Ų60.135%0.34735%0.349SS..Hα-helixtrans-61.8-44175.700000111.8K12 A13 G18 A19 V20 T54K12-A16 PolarHBondContact O-N 3.05Å; A13-A16 PolarHBondContact O-N 2.94Å; A16-G18 VanDerWaalsContact C-N 3.34Å; A16-G18 PolarHBondContact O-N 3.42Å; A16-A19 PolarHBondContact O-N 3.1Å; A16-V20 WeakPolarHBondContact O-CG2 3.26Å; A16-V20 PolarHBondContact O-N 3.48Å; A16-T54 HydrophobicContact CB-CG2 4.2Å
17A81.8Confident82.9Confident7 Ų753.8 Ų53.86%0.05832%0.32CS..Hα-helixtrans-59.7-44.2175.100000112A13 A14 A19 V20 F21 T54 L55A13-A17 PolarHBondContact O-N 3.49Å; A14-A17 PolarHBondContact O-N 3.25Å; A17-A19 VanDerWaalsContact C-N 3.34Å; A17-A19 PolarHBondContact O-N 2.72Å; A17-V20 PolarHBondContact O-N 3.46Å; A17-F21 WeakPolarHBondContact O-CB 3.4Å; A17-F21 PolarHBondContact O-N 3.1Å; A17-T54 VanDerWaalsContact CA-OG1 3.25Å; A17-T54 WeakPolarHBondContact CA-OG1 3.18Å; A17-T54 VanDerWaalsContact CB-OG1 3.24Å; A17-T54 WeakPolarHBondContact CB-OG1 3.11Å; A17-L55 HydrophobicContact CB-CD2 4.27Å
18G83.9Confident82.4Confident39 Ų3955 Ų5540%0.40232%0.321SS..Hα-helixtrans-62.1-38.6175.100000113.2A14 V15 A16 F21 F22A14-G18 PolarHBondContact O-N 2.91Å; V15-G18 PolarHBondContact O-N 3.08Å; A16-G18 VanDerWaalsContact C-N 3.34Å; A16-G18 PolarHBondContact O-N 3.42Å; G18-F21 PolarHBondContact O-N 3.33Å; G18-F22 WeakPolarHBondContact O-CB 3.26Å; G18-F22 PolarHBondContact O-N 2.96Å
19A85.5Confident81.8Confident60 Ų6053.8 Ų53.850%0.49632%0.315SS..Hα-helixtrans-66.2-42.3176.400000112.2V15 A16 A17 F22 S23V15-A19 PolarHBondContact O-N 3.44Å; A16-A19 PolarHBondContact O-N 3.1Å; A17-A19 VanDerWaalsContact C-N 3.34Å; A17-A19 PolarHBondContact O-N 2.72Å; A19-F22 PolarHBondContact O-N 3.34Å; A19-S23 WeakPolarHBondContact O-CB 3.39Å; A19-S23 PolarHBondContact O-N 2.91Å
20V84.4Confident81.3Confident25 Ų2558 Ų5815%0.15233%0.326CS..Hα-helixtrans-63.3-46.6174.4178.80000110.2A16 A17 F22 S23 T24 Q47 L50 F51 T54A16-V20 WeakPolarHBondContact O-CG2 3.26Å; A16-V20 PolarHBondContact O-N 3.48Å; A17-V20 PolarHBondContact O-N 3.46Å; V20-F22 VanDerWaalsContact C-N 3.32Å; V20-F22 PolarHBondContact O-N 3.4Å; V20-S23 WeakPolarHBondContact O-CB 3.46Å; V20-S23 PolarHBondContact O-N 3Å; V20-S23 VanDerWaalsContact O-N 3.14Å; V20-T24 PolarHBondContact O-N 3.08Å; V20-T24 PolarHBondContact O-OG1 2.86Å; V20-Q47 WeakPolarHBondContact CG1-O 3.46Å; V20-L50 HydrophobicContact CG1-CB 3.89Å; V20-L50 HydrophobicContact CG2-CB 4.12Å; V20-F51 HydrophobicContact CG1-CB 3.86Å; V20-T54 HydrophobicContact CG2-CG2 4.4Å
21F83Confident81Confident110 Ų11058.9 Ų58.948%0.48233%0.332SS..Hα-helixtrans-57-45177.3179.9-99000112.3A17 G18 T24 M25 F51A17-F21 WeakPolarHBondContact O-CB 3.4Å; A17-F21 PolarHBondContact O-N 3.1Å; G18-F21 PolarHBondContact O-N 3.33Å; F21-T24 WeakPolarHBondContact O-CB 3.48Å; F21-T24 PolarHBondContact O-N 3.11Å; F21-M25 HydrophobicContact CD1-CG 4.5Å; F21-M25 HydrophobicContact CD1-SD 4.28Å; F21-M25 HydrophobicContact CE1-CG 4.1Å; F21-M25 HydrophobicContact CE1-SD 3.56Å; F21-M25 VanDerWaalsContact CE1-SD 3.56Å; F21-M25 HydrophobicContact CZ-CG 4.33Å; F21-M25 HydrophobicContact CZ-SD 4.06Å; F21-M25 PolarHBondContact O-N 3.11Å; F21-F51 HydrophobicContact CB-CD2 4.18Å; F21-F51 HydrophobicContact CB-CE2 3.98Å; F21-F51 HydrophobicContact CD2-CE2 4.23Å; F21-F51 HydrophobicContact CD2-CZ 4.45Å
22F84.4Confident80.4Confident137 Ų13758.1 Ų58.160%0.60133%0.325SS*.Hα-helixtrans-64-41.1176.6-173.6-99.8000112.3G18 A19 V20 T24 M25 V26G18-F22 WeakPolarHBondContact O-CB 3.26Å; G18-F22 PolarHBondContact O-N 2.96Å; A19-F22 PolarHBondContact O-N 3.34Å; V20-F22 VanDerWaalsContact C-N 3.32Å; V20-F22 PolarHBondContact O-N 3.4Å; F22-T24 VanDerWaalsContact C-N 3.29Å; F22-T24 PolarHBondContact O-N 3.42Å; F22-M25 WeakPolarHBondContact O-CB 3.22Å; F22-M25 PolarHBondContact O-N 3.48Å; F22-M25 VanDerWaalsContact O-N 3.14Å; F22-V26 HydrophobicContact CD1-CG2 3.99Å; F22-V26 HydrophobicContact CE1-CG2 3.56Å; F22-V26 HydrophobicContact CE2-CG2 4.47Å; F22-V26 HydrophobicContact CZ-CG2 3.83Å; F22-V26 WeakPolarHBondContact O-CG2 3.47Å; F22-V26 PolarHBondContact O-N 3.2Å
23S85.1Confident79.8Confident55 Ų5564.8 Ų64.839%0.38536%0.357SS..Hα-helixtrans-57.7-42.4172.8178.50000111.8A19 V20 M25 V26 S27 Q47A19-S23 WeakPolarHBondContact O-CB 3.39Å; A19-S23 PolarHBondContact O-N 2.91Å; V20-S23 WeakPolarHBondContact O-CB 3.46Å; V20-S23 PolarHBondContact O-N 3Å; V20-S23 VanDerWaalsContact O-N 3.14Å; S23-M25 PolarHBondContact O-N 2.86Å; S23-V26 PolarHBondContact O-N 3.3Å; S23-S27 WeakPolarHBondContact O-CB 3.35Å; S23-S27 PolarHBondContact O-N 2.82Å; S23-S27 PolarHBondContact O-OG 3.19Å; S23-Q47 PolarHBondContact O-NE2 2.95Å; S23-Q47 PolarHBondContact OG-NE2 3.15Å; S23-Q47 VanDerWaalsContact OG-NE2 3.11Å
24T79.7Confident79.8Confident20 Ų2071.9 Ų71.912%0.12339%0.39CS..Hα-helixtrans-60.1-44.7174-48.30000111.5V20 F21 F22 S27 R28V20-T24 PolarHBondContact O-N 3.08Å; V20-T24 PolarHBondContact O-OG1 2.86Å; F21-T24 WeakPolarHBondContact O-CB 3.48Å; F21-T24 PolarHBondContact O-N 3.11Å; F22-T24 VanDerWaalsContact C-N 3.29Å; F22-T24 PolarHBondContact O-N 3.42Å; T24-S27 PolarHBondContact O-OG 3.28Å; T24-R28 VanDerWaalsContact O-CB 3.31Å; T24-R28 WeakPolarHBondContact O-CB 3.47Å; T24-R28 VanDerWaalsContact O-CG 3.26Å; T24-R28 WeakPolarHBondContact O-CG 3.49Å; T24-R28 PolarHBondContact O-N 3.14Å; T24-R28 VanDerWaalsContact O-N 3.11Å
25M78.9Confident79.6Confident105 Ų10572 Ų7252%0.51738%0.383SS..Hα-helixtrans-61.8-46.7176.6-69.5-167.474.100112.5F21 F22 S23 R28 S29F21-M25 HydrophobicContact CD1-CG 4.5Å; F21-M25 HydrophobicContact CD1-SD 4.28Å; F21-M25 HydrophobicContact CE1-CG 4.1Å; F21-M25 HydrophobicContact CE1-SD 3.56Å; F21-M25 VanDerWaalsContact CE1-SD 3.56Å; F21-M25 HydrophobicContact CZ-CG 4.33Å; F21-M25 HydrophobicContact CZ-SD 4.06Å; F21-M25 PolarHBondContact O-N 3.11Å; F22-M25 WeakPolarHBondContact O-CB 3.22Å; F22-M25 PolarHBondContact O-N 3.48Å; F22-M25 VanDerWaalsContact O-N 3.14Å; S23-M25 PolarHBondContact O-N 2.86Å; M25-R28 PolarHBondContact O-N 3.16Å; M25-S29 WeakPolarHBondContact O-CB 3.42Å; M25-S29 PolarHBondContact O-N 2.92Å; M25-S29 VanDerWaalsContact O-N 3.11Å; M25-S29 PolarHBondContact O-OG 3.41Å
26V81.8Confident79.5Confident44 Ų4475.4 Ų75.427%0.26739%0.394SS..Hα-helixtrans-64-49.3-178.8172.10000111.1F22 S23 R28 S29 Y30 L31F22-V26 HydrophobicContact CD1-CG2 3.99Å; F22-V26 HydrophobicContact CE1-CG2 3.56Å; F22-V26 HydrophobicContact CE2-CG2 4.47Å; F22-V26 HydrophobicContact CZ-CG2 3.83Å; F22-V26 WeakPolarHBondContact O-CG2 3.47Å; F22-V26 PolarHBondContact O-N 3.2Å; S23-V26 PolarHBondContact O-N 3.3Å; V26-R28 VanDerWaalsContact C-N 3.27Å; V26-R28 PolarHBondContact O-N 3.28Å; V26-S29 PolarHBondContact O-N 2.88Å; V26-S29 PolarHBondContact O-OG 2.9Å; V26-Y30 PolarHBondContact O-N 3.49Å; V26-L31 PolarHBondContact O-N 3.45Å
27S78.3Confident79.1Confident9 Ų978 Ų786%0.06340%0.401CS..Hα-helixtrans-61.4-35-179.558.80000113S23 T24 A32 Q47S23-S27 WeakPolarHBondContact O-CB 3.35Å; S23-S27 PolarHBondContact O-N 2.82Å; S23-S27 PolarHBondContact O-OG 3.19Å; T24-S27 PolarHBondContact O-OG 3.28Å; S27-A32 PolarHBondContact O-N 3.16Å; S27-Q47 PolarHBondContact OG-NE2 2.91Å; S27-Q47 PolarHBondContact OG-OE1 2.82Å; S27-Q47 VanDerWaalsContact OG-OE1 3.1Å
28R73.6Confident78.9Confident70 Ų7084.1 Ų84.126%0.26443%0.427SS..Hα-helixtrans-82.1-17.4179.5-72178.361.5-177.9-8.1115.1T24 M25 V26 A32 V326T24-R28 VanDerWaalsContact O-CB 3.31Å; T24-R28 WeakPolarHBondContact O-CB 3.47Å; T24-R28 VanDerWaalsContact O-CG 3.26Å; T24-R28 WeakPolarHBondContact O-CG 3.49Å; T24-R28 PolarHBondContact O-N 3.14Å; T24-R28 VanDerWaalsContact O-N 3.11Å; M25-R28 PolarHBondContact O-N 3.16Å; V26-R28 VanDerWaalsContact C-N 3.27Å; V26-R28 PolarHBondContact O-N 3.28Å; R28-A32 WeakPolarHBondContact O-CB 3.36Å; R28-V326 VanDerWaalsContact NH2-C 3.33Å; R28-V326 PolarHBondContact NH2-O 3.04Å
29S72.5Confident78.8Confident51 Ų5185.4 Ų85.436%0.35743%0.427SS..Hα-helixtrans-106.1-60.9-178.251.70000111.6M25 V26M25-S29 WeakPolarHBondContact O-CB 3.42Å; M25-S29 PolarHBondContact O-N 2.92Å; M25-S29 VanDerWaalsContact O-N 3.11Å; M25-S29 PolarHBondContact O-OG 3.41Å; V26-S29 PolarHBondContact O-N 2.88Å; V26-S29 PolarHBondContact O-OG 2.9Å
30Y72.4Confident78.4Confident181 Ų18185.7 Ų85.771%0.7142%0.415SS*.THydrogen-bonded Turntrans-86.5-32.3-170.3-68.8-82000113.4V26V26-Y30 PolarHBondContact O-N 3.49Å
31L75.6Confident78.2Confident65 Ų6586.2 Ų86.234%0.3441%0.414SS..SBendtrans-102.1-4.8-175-59.8174.5000113.4V26 E33 Q34 L35V26-L31 PolarHBondContact O-N 3.45Å; L31-E33 VanDerWaalsContact C-N 3.27Å; L31-E33 PolarHBondContact O-N 2.93Å; L31-Q34 PolarHBondContact O-N 3.32Å; L31-L35 HydrophobicContact CB-CD1 4.01Å; L31-L35 HydrophobicContact CB-CG 4.29Å; L31-L35 WeakPolarHBondContact O-CG 3.28Å; L31-L35 PolarHBondContact O-N 3Å; L31-L35 VanDerWaalsContact O-N 3.15Å
32A69.9Low78.2Confident12 Ų1285.5 Ų85.510%0.09941%0.408CS..THydrogen-bonded Turntrans-62.4-30.8-16900000114.2S27 R28 R40S27-A32 PolarHBondContact O-N 3.16Å; R28-A32 WeakPolarHBondContact O-CB 3.36Å; A32-R40 PolarHBondContact O-NH1 2.92Å
33E71.8Confident78.2Confident196 Ų19681.5 Ų81.592%0.91639%0.393SS*.THydrogen-bonded Turntrans-90.7-15.4178.1-64.5-179-178.900113L31L31-E33 VanDerWaalsContact C-N 3.27Å; L31-E33 PolarHBondContact O-N 2.93Å
34Q81Confident78Confident154 Ų15479.8 Ų79.872%0.7238%0.379SS*.THydrogen-bonded Turntrans-94.9-18.6-177.1-63-177.2-6.700113L31L31-Q34 PolarHBondContact O-N 3.32Å
35L79.7Confident78.2Confident53 Ų5379.5 Ų79.528%0.27738%0.376SS..SBendtrans-91.1136.5-180-67171.2000110.7L31 T39 R40 L43L31-L35 HydrophobicContact CB-CD1 4.01Å; L31-L35 HydrophobicContact CB-CG 4.29Å; L31-L35 WeakPolarHBondContact O-CG 3.28Å; L31-L35 PolarHBondContact O-N 3Å; L31-L35 VanDerWaalsContact O-N 3.15Å; L35-T39 HydrophobicContact CD2-CG2 4.06Å; L35-R40 HydrophobicContact CB-CB 4.3Å; L35-L43 HydrophobicContact CD1-CD2 3.9Å
36E82.7Confident78.7Confident148 Ų14878 Ų7869%0.69237%0.37SS*.  trans-54144.6165.7-70.1-176.917400110.7K38 T39 R40E36-K38 VanDerWaalsContact C-N 3.3Å; E36-K38 PolarHBondContact O-N 3.23Å; E36-T39 WeakPolarHBondContact O-CB 3.39Å; E36-T39 PolarHBondContact O-N 2.83Å; E36-R40 PolarHBondContact O-N 3.41Å
37L74.4Confident79Confident96 Ų9676.2 Ų76.250%0.50336%0.358SS..Hα-helixtrans-51.8-49.2-177-175.767.1000111.3T39 R40 R41L37-T39 VanDerWaalsContact C-N 3.31Å; L37-T39 PolarHBondContact O-N 3.45Å; L37-R40 WeakPolarHBondContact O-CB 3.47Å; L37-R40 PolarHBondContact O-N 2.89Å; L37-R40 VanDerWaalsContact O-N 3.16Å; L37-R41 VanDerWaalsContact O-CG 3.26Å; L37-R41 WeakPolarHBondContact O-CG 3.36Å; L37-R41 PolarHBondContact O-N 2.94Å
38K77.8Confident79.2Confident137 Ų13779 Ų7960%0.59637%0.371SS*.Hα-helixtrans-56.8-42.7178.9-172.4176.5-178.21760112.7E36 R41 W42E36-K38 VanDerWaalsContact C-N 3.3Å; E36-K38 PolarHBondContact O-N 3.23Å; K38-R41 PolarHBondContact O-N 3.09Å; K38-W42 PolarHBondContact O-N 3.24Å; K38-W42 VanDerWaalsContact O-N 3.11Å
39T82.9Confident79.9Confident66 Ų6675.9 Ų75.941%0.40536%0.36SS..Hα-helixtrans-67.2-42.6178-57.40000111.2L35 E36 L37 R41 W42 L43L35-T39 HydrophobicContact CD2-CG2 4.06Å; E36-T39 WeakPolarHBondContact O-CB 3.39Å; E36-T39 PolarHBondContact O-N 2.83Å; L37-T39 VanDerWaalsContact C-N 3.31Å; L37-T39 PolarHBondContact O-N 3.45Å; T39-R41 VanDerWaalsContact C-N 3.34Å; T39-R41 PolarHBondContact O-N 3.47Å; T39-W42 PolarHBondContact O-N 2.82Å; T39-L43 VanDerWaalsContact O-CB 3.27Å; T39-L43 WeakPolarHBondContact O-CB 3.49Å; T39-L43 PolarHBondContact O-N 2.74Å
40R77.4Confident80.8Confident65 Ų6576.9 Ų76.925%0.24536%0.361CS..Hα-helixtrans-60.4-42175.6-177175.1169-175.5-9111.7A32 L35 E36 L37 L43 L44 L327 R328A32-R40 PolarHBondContact O-NH1 2.92Å; L35-R40 HydrophobicContact CB-CB 4.3Å; E36-R40 PolarHBondContact O-N 3.41Å; L37-R40 WeakPolarHBondContact O-CB 3.47Å; L37-R40 PolarHBondContact O-N 2.89Å; L37-R40 VanDerWaalsContact O-N 3.16Å; R40-L43 PolarHBondContact O-N 3.19Å; R40-L44 WeakPolarHBondContact O-CB 3.27Å; R40-L44 PolarHBondContact O-N 3.3Å; R40-L327 PolarHBondContact NH2-O 3.03Å; R40-R328 PolarHBondContact NH2-O 2.82Å
41R78.6Confident81.5Confident36 Ų3671.5 Ų71.514%0.13634%0.342CS..Hα-helixtrans-59.4-53.7175.7-65.9-165.9-92.8-178.9-8.7112.1L37 K38 T39 L43 L44 R45 E248 S280 D281L37-R41 VanDerWaalsContact O-CG 3.26Å; L37-R41 WeakPolarHBondContact O-CG 3.36Å; L37-R41 PolarHBondContact O-N 2.94Å; K38-R41 PolarHBondContact O-N 3.09Å; T39-R41 VanDerWaalsContact C-N 3.34Å; T39-R41 PolarHBondContact O-N 3.47Å; R41-L43 VanDerWaalsContact C-N 3.32Å; R41-L43 PolarHBondContact O-N 3.49Å; R41-L44 PolarHBondContact O-N 2.88Å; R41-R45 WeakPolarHBondContact O-CG 3.46Å; R41-R45 PolarHBondContact O-N 3.35Å; R41-R45 VanDerWaalsContact O-N 3.1Å; R41-E248 IonicContact NH1-OE2 3.49Å; R41-S280 VanDerWaalsContact CD-CB 3.43Å; R41-S280 WeakPolarHBondContact CD-O 3.5Å; R41-D281 IonicContact NH1-OD1 2.83Å; R41-D281 PolarHBondContact NH1-OD1 3.39Å
42W83.3Confident82.1Confident96 Ų9669.4 Ų69.436%0.36433%0.334SS..Hα-helixtrans-60.7-42179.4-95.297.1000112.4K38 T39 R45 L46 L104 F105K38-W42 PolarHBondContact O-N 3.24Å; K38-W42 VanDerWaalsContact O-N 3.11Å; T39-W42 PolarHBondContact O-N 2.82Å; W42-R45 PolarHBondContact O-N 3.21Å; W42-L46 VanDerWaalsContact O-CB 3.29Å; W42-L46 WeakPolarHBondContact O-CB 3.26Å; W42-L46 PolarHBondContact O-N 3.27Å; W42-L104 HydrophobicContact CZ3-CB 4.36Å; W42-F105 HydrophobicContact CH2-CD1 4.25Å; W42-F105 AromaticContact CH2-CE1 3.71Å; W42-F105 HydrophobicContact CH2-CE1 3.71Å; W42-F105 HydrophobicContact CH2-CZ 4.42Å; W42-F105 AromaticContact CZ3-CE1 3.91Å; W42-F105 HydrophobicContact CZ3-CE1 3.91Å; W42-F105 HydrophobicContact CZ3-CZ 4.18Å
43L85.3Confident83.1Confident53 Ų5369.8 Ų69.828%0.27733%0.334SS..Hα-helixtrans-63.5-45.1179.2-176.259.9000111.7L35 T39 R40 R41 L46 Q47L35-L43 HydrophobicContact CD1-CD2 3.9Å; T39-L43 VanDerWaalsContact O-CB 3.27Å; T39-L43 WeakPolarHBondContact O-CB 3.49Å; T39-L43 PolarHBondContact O-N 2.74Å; R40-L43 PolarHBondContact O-N 3.19Å; R41-L43 VanDerWaalsContact C-N 3.32Å; R41-L43 PolarHBondContact O-N 3.49Å; L43-L46 PolarHBondContact O-N 2.77Å; L43-Q47 HydrophobicContact CD1-CG 4.19Å; L43-Q47 HydrophobicContact CG-CG 4.48Å; L43-Q47 WeakPolarHBondContact O-CB 3.43Å; L43-Q47 VanDerWaalsContact O-CG 3.25Å; L43-Q47 WeakPolarHBondContact O-CG 3.26Å; L43-Q47 PolarHBondContact O-N 3.33Å; L43-Q47 PolarHBondContact O-OE1 2.03Å
44L80.4Confident83.8Confident18 Ų1861.6 Ų61.69%0.09430%0.297CS..Hα-helixtrans-58.9-50.9177.2177.263.8000111.2R40 R41 L46 Q47 M48 L327R40-L44 WeakPolarHBondContact O-CB 3.27Å; R40-L44 PolarHBondContact O-N 3.3Å; R41-L44 PolarHBondContact O-N 2.88Å; L44-L46 PolarHBondContact O-N 3.12Å; L44-Q47 PolarHBondContact O-N 3.39Å; L44-M48 HydrophobicContact CG-CE 4.04Å; L44-M48 WeakPolarHBondContact O-CG 3.39Å; L44-M48 PolarHBondContact O-N 2.93Å; L44-L327 HydrophobicContact CD2-CD2 4.29Å
45R84.5Confident84.1Confident14 Ų1458.3 Ų58.35%0.05328%0.284CS..Hα-helixtrans-61.9-45.9-179.7-63.5178.382.3-169.81.9111R41 W42 Q47 M48 V49 V103 L104 E248R41-R45 WeakPolarHBondContact O-CG 3.46Å; R41-R45 PolarHBondContact O-N 3.35Å; R41-R45 VanDerWaalsContact O-N 3.1Å; W42-R45 PolarHBondContact O-N 3.21Å; R45-Q47 PolarHBondContact O-N 3.46Å; R45-M48 HydrophobicContact CG-CE 4.42Å; R45-M48 PolarHBondContact O-N 2.9Å; R45-V49 WeakPolarHBondContact O-CG2 3.42Å; R45-V49 PolarHBondContact O-N 3.19Å; R45-V103 PolarHBondContact NH2-O 3.46Å; R45-L104 HydrophobicContact CB-CD2 3.62Å; R45-E248 IonicContact NH1-OE1 3.61Å; R45-E248 PolarHBondContact NH1-OE1 3.39Å; R45-E248 VanDerWaalsContact NH1-OE1 3.09Å
46L88.5Confident84.8Confident74 Ų7456.5 Ų56.539%0.38727%0.274SS..Hα-helixtrans-60.4-45.2177.4-179.461.9000112.2W42 L43 L44 M48 V49 L50W42-L46 VanDerWaalsContact O-CB 3.29Å; W42-L46 WeakPolarHBondContact O-CB 3.26Å; W42-L46 PolarHBondContact O-N 3.27Å; L43-L46 PolarHBondContact O-N 2.77Å; L44-L46 PolarHBondContact O-N 3.12Å; L46-M48 PolarHBondContact O-N 3.04Å; L46-V49 PolarHBondContact O-N 2.96Å; L46-L50 HydrophobicContact CD1-CD1 4.34Å; L46-L50 HydrophobicContact CD1-CG 4.29Å; L46-L50 HydrophobicContact CG-CD1 4.1Å; L46-L50 HydrophobicContact CG-CG 4.46Å; L46-L50 VanDerWaalsContact O-CG 3.3Å; L46-L50 WeakPolarHBondContact O-CG 3.36Å; L46-L50 PolarHBondContact O-N 3.41Å
47Q87.6Confident85.2Confident6 Ų652.8 Ų52.83%0.02826%0.259CS..Hα-helixtrans-62.8-40.2178.3-77168.7-22.900112.2V20 S23 S27 L43 L44 R45 L50 F51V20-Q47 WeakPolarHBondContact CG1-O 3.46Å; S23-Q47 PolarHBondContact O-NE2 2.95Å; S23-Q47 PolarHBondContact OG-NE2 3.15Å; S23-Q47 VanDerWaalsContact OG-NE2 3.11Å; S27-Q47 PolarHBondContact OG-NE2 2.91Å; S27-Q47 PolarHBondContact OG-OE1 2.82Å; S27-Q47 VanDerWaalsContact OG-OE1 3.1Å; L43-Q47 HydrophobicContact CD1-CG 4.19Å; L43-Q47 HydrophobicContact CG-CG 4.48Å; L43-Q47 WeakPolarHBondContact O-CB 3.43Å; L43-Q47 VanDerWaalsContact O-CG 3.25Å; L43-Q47 WeakPolarHBondContact O-CG 3.26Å; L43-Q47 PolarHBondContact O-N 3.33Å; L43-Q47 PolarHBondContact O-OE1 2.03Å; L44-Q47 PolarHBondContact O-N 3.39Å; R45-Q47 PolarHBondContact O-N 3.46Å; Q47-L50 PolarHBondContact O-N 2.94Å; Q47-F51 VanDerWaalsContact O-CB 3.28Å; Q47-F51 WeakPolarHBondContact O-CB 3.37Å; Q47-F51 PolarHBondContact O-N 3.26Å
48M83.1Confident86Confident68 Ų6851.1 Ų51.134%0.33525%0.25SC..Hα-helixtrans-62.2-45174.6-71.9-170.4-64.300111.6L44 R45 L46 L50 F51 A52L44-M48 HydrophobicContact CG-CE 4.04Å; L44-M48 WeakPolarHBondContact O-CG 3.39Å; L44-M48 PolarHBondContact O-N 2.93Å; R45-M48 HydrophobicContact CG-CE 4.42Å; R45-M48 PolarHBondContact O-N 2.9Å; L46-M48 PolarHBondContact O-N 3.04Å; M48-L50 PolarHBondContact O-N 3.42Å; M48-F51 PolarHBondContact O-N 3.24Å; M48-A52 WeakPolarHBondContact O-CB 3.25Å; M48-A52 PolarHBondContact O-N 3.26Å
49V89.4Confident86.7Confident5 Ų545.1 Ų45.13%0.0323%0.227CC..Hα-helixtrans-60.9-45.2177.11720000111.4R45 L46 N53 F100 F101 L104R45-V49 WeakPolarHBondContact O-CG2 3.42Å; R45-V49 PolarHBondContact O-N 3.19Å; L46-V49 PolarHBondContact O-N 2.96Å; V49-N53 WeakPolarHBondContact O-CB 3.46Å; V49-N53 PolarHBondContact O-N 3.49Å; V49-N53 PolarHBondContact O-ND2 3.32Å; V49-F100 HydrophobicContact CB-CB 4.3Å; V49-F100 HydrophobicContact CG1-CB 3.88Å; V49-F100 HydrophobicContact CG2-CB 4.05Å; V49-F100 WeakPolarHBondContact CG2-O 3.4Å; V49-F101 HydrophobicContact CG1-CD1 3.78Å; V49-F101 HydrophobicContact CG1-CD2 4.07Å; V49-F101 HydrophobicContact CG1-CE1 3.64Å; V49-F101 HydrophobicContact CG1-CE2 3.95Å; V49-F101 HydrophobicContact CG1-CG 4Å; V49-F101 HydrophobicContact CG1-CZ 3.73Å; V49-L104 HydrophobicContact CB-CD1 4.4Å; V49-L104 HydrophobicContact CG2-CD1 3.84Å; V49-L104 HydrophobicContact CG2-CD2 4.21Å; V49-L104 HydrophobicContact CG2-CG 4.02Å
50L89.8Confident87.3Confident71 Ų7142.4 Ų42.437%0.37221%0.211SC..Hα-helixtrans-64.1-45177.5-70.1175.5000111.2V20 L46 Q47 M48 N53 T54V20-L50 HydrophobicContact CG1-CB 3.89Å; V20-L50 HydrophobicContact CG2-CB 4.12Å; L46-L50 HydrophobicContact CD1-CD1 4.34Å; L46-L50 HydrophobicContact CD1-CG 4.29Å; L46-L50 HydrophobicContact CG-CD1 4.1Å; L46-L50 HydrophobicContact CG-CG 4.46Å; L46-L50 VanDerWaalsContact O-CG 3.3Å; L46-L50 WeakPolarHBondContact O-CG 3.36Å; L46-L50 PolarHBondContact O-N 3.41Å; Q47-L50 PolarHBondContact O-N 2.94Å; M48-L50 PolarHBondContact O-N 3.42Å; L50-N53 PolarHBondContact O-N 3.26Å; L50-T54 WeakPolarHBondContact O-CG2 3.36Å; L50-T54 PolarHBondContact O-N 3.13Å; L50-T54 PolarHBondContact O-OG1 3.28Å
51F87.1Confident88Confident69 Ų6940.6 Ų40.630%0.30321%0.206SC..Hα-helixtrans-60.7-51.6-179.9179.6-109000111.1V20 F21 Q47 M48 N53 T54 L55V20-F51 HydrophobicContact CG1-CB 3.86Å; F21-F51 HydrophobicContact CB-CD2 4.18Å; F21-F51 HydrophobicContact CB-CE2 3.98Å; F21-F51 HydrophobicContact CD2-CE2 4.23Å; F21-F51 HydrophobicContact CD2-CZ 4.45Å; Q47-F51 VanDerWaalsContact O-CB 3.28Å; Q47-F51 WeakPolarHBondContact O-CB 3.37Å; Q47-F51 PolarHBondContact O-N 3.26Å; M48-F51 PolarHBondContact O-N 3.24Å; F51-N53 VanDerWaalsContact C-N 3.32Å; F51-N53 PolarHBondContact O-N 3.42Å; F51-T54 PolarHBondContact O-N 2.99Å; F51-T54 PolarHBondContact O-OG1 3.03Å; F51-L55 HydrophobicContact CD1-CD1 4.18Å; F51-L55 HydrophobicContact CE1-CD1 3.58Å; F51-L55 HydrophobicContact CE1-CG 4.48Å; F51-L55 HydrophobicContact CE2-CD1 4.32Å; F51-L55 HydrophobicContact CE2-CG 4.48Å; F51-L55 HydrophobicContact CZ-CD1 3.67Å; F51-L55 HydrophobicContact CZ-CG 4.29Å; F51-L55 PolarHBondContact O-N 3.04Å; F51-L55 VanDerWaalsContact O-N 3.11Å
52A88.9Confident88.6Confident21 Ų2142.5 Ų42.517%0.17422%0.216CC..Hα-helixtrans-56.7-45.8176.900000111.8M48 T54 L55 M56 F100M48-A52 WeakPolarHBondContact O-CB 3.25Å; M48-A52 PolarHBondContact O-N 3.26Å; A52-T54 PolarHBondContact O-N 2.63Å; A52-L55 PolarHBondContact O-N 3.25Å; A52-M56 VanDerWaalsContact O-CG 3.31Å; A52-M56 WeakPolarHBondContact O-CG 3.42Å; A52-M56 PolarHBondContact O-N 3.11Å; A52-F100 HydrophobicContact CB-CD1 4.27Å; A52-F100 HydrophobicContact CB-CD2 3.97Å; A52-F100 HydrophobicContact CB-CE1 4.13Å; A52-F100 HydrophobicContact CB-CE2 3.83Å; A52-F100 HydrophobicContact CB-CG 4.19Å; A52-F100 HydrophobicContact CB-CZ 3.91Å
53N91.2Very high89.1Confident20 Ų2038 Ų3811%0.10720%0.199CC..Hα-helixtrans-63.9-38178.6-90.5-83.4000113.3V49 L50 F51 M56 L57 H97 F101V49-N53 WeakPolarHBondContact O-CB 3.46Å; V49-N53 PolarHBondContact O-N 3.49Å; V49-N53 PolarHBondContact O-ND2 3.32Å; L50-N53 PolarHBondContact O-N 3.26Å; F51-N53 VanDerWaalsContact C-N 3.32Å; F51-N53 PolarHBondContact O-N 3.42Å; N53-M56 PolarHBondContact O-N 3.43Å; N53-L57 PolarHBondContact O-N 2.69Å; N53-H97 PolarHBondContact ND2-O 3.2Å; N53-H97 PolarHBondContact O-CE1 3.34Å; N53-H97 WeakPolarHBondContact OD1-CB 3.37Å; N53-H97 PolarHBondContact OD1-ND1 3.2Å; N53-H97 PolarHBondContact OD1-O 3.13Å; N53-H97 VanDerWaalsContact OD1-O 3.07Å; N53-F101 WeakPolarHBondContact ND2-CE2 3.38Å
54T87.3Confident89.5Confident23 Ų2339.6 Ų39.614%0.14120%0.202CC..Hα-helixtrans-66.4-37.9176.456.50000112.6A16 A17 V20 L50 F51 A52 L57A16-T54 HydrophobicContact CB-CG2 4.2Å; A17-T54 VanDerWaalsContact CA-OG1 3.25Å; A17-T54 WeakPolarHBondContact CA-OG1 3.18Å; A17-T54 VanDerWaalsContact CB-OG1 3.24Å; A17-T54 WeakPolarHBondContact CB-OG1 3.11Å; V20-T54 HydrophobicContact CG2-CG2 4.4Å; L50-T54 WeakPolarHBondContact O-CG2 3.36Å; L50-T54 PolarHBondContact O-N 3.13Å; L50-T54 PolarHBondContact O-OG1 3.28Å; F51-T54 PolarHBondContact O-N 2.99Å; F51-T54 PolarHBondContact O-OG1 3.03Å; A52-T54 PolarHBondContact O-N 2.63Å; T54-L57 WeakPolarHBondContact O-CB 3.26Å; T54-L57 PolarHBondContact O-N 2.88Å
55L86.6Confident90Very high86 Ų8644.5 Ų44.545%0.4522%0.219SC..Hα-helixtrans-66-44.1173.3-68.4178.6000111.5A17 F51 A52 L57 I58A17-L55 HydrophobicContact CB-CD2 4.27Å; F51-L55 HydrophobicContact CD1-CD1 4.18Å; F51-L55 HydrophobicContact CE1-CD1 3.58Å; F51-L55 HydrophobicContact CE1-CG 4.48Å; F51-L55 HydrophobicContact CE2-CD1 4.32Å; F51-L55 HydrophobicContact CE2-CG 4.48Å; F51-L55 HydrophobicContact CZ-CD1 3.67Å; F51-L55 HydrophobicContact CZ-CG 4.29Å; F51-L55 PolarHBondContact O-N 3.04Å; F51-L55 VanDerWaalsContact O-N 3.11Å; A52-L55 PolarHBondContact O-N 3.25Å; L55-L57 PolarHBondContact O-N 2.89Å; L55-I58 PolarHBondContact O-N 2.87Å
56M93.3Very high90.2Very high14 Ų1444.9 Ų44.97%0.06922%0.224CC..Hα-helixtrans-61-31.3176-71.7177.967.300112.3A52 N53 I58 G59 S60 A96 H97 F100 L122 Y125A52-M56 VanDerWaalsContact O-CG 3.31Å; A52-M56 WeakPolarHBondContact O-CG 3.42Å; A52-M56 PolarHBondContact O-N 3.11Å; N53-M56 PolarHBondContact O-N 3.43Å; M56-I58 VanDerWaalsContact C-N 3.25Å; M56-I58 PolarHBondContact O-N 3.34Å; M56-G59 PolarHBondContact O-N 2.91Å; M56-G59 VanDerWaalsContact O-N 3.13Å; M56-S60 WeakPolarHBondContact O-CB 3.49Å; M56-S60 PolarHBondContact O-N 3.12Å; M56-S60 PolarHBondContact O-OG 2.94Å; M56-A96 HydrophobicContact CE-CB 4Å; M56-H97 VanDerWaalsContact CB-CE1 3.44Å; M56-H97 WeakPolarHBondContact CB-CE1 3.46Å; M56-F100 HydrophobicContact SD-CD2 4.01Å; M56-F100 HydrophobicContact SD-CE2 3.68Å; M56-L122 HydrophobicContact CE-CD1 3.53Å; M56-L122 HydrophobicContact SD-CD1 3.8Å; M56-Y125 VanDerWaalsContact C-OH 3.32Å; M56-Y125 VanDerWaalsContact CA-OH 3.26Å; M56-Y125 WeakPolarHBondContact CA-OH 3.09Å; M56-Y125 HydrophobicContact CB-CE1 4.4Å; M56-Y125 HydrophobicContact CE-CD1 4.1Å; M56-Y125 HydrophobicContact CE-CE1 4.05Å; M56-Y125 HydrophobicContact CE-CG 4.48Å; M56-Y125 HydrophobicContact CG-CE1 4.07Å; M56-Y125 PolarHBondContact O-OH 3.34Å
57L92.4Very high90.2Very high71 Ų7141.4 Ų41.437%0.37221%0.206SC..Hα-helixtrans-59.2-39.3179.8-177.460.3000111.7A13 N53 T54 L55 G59 S60 L61A13-L57 HydrophobicContact CB-CD2 3.98Å; A13-L57 HydrophobicContact CB-CG 4.29Å; N53-L57 PolarHBondContact O-N 2.69Å; T54-L57 WeakPolarHBondContact O-CB 3.26Å; T54-L57 PolarHBondContact O-N 2.88Å; L55-L57 PolarHBondContact O-N 2.89Å; L57-G59 VanDerWaalsContact C-N 3.35Å; L57-G59 PolarHBondContact O-N 3.21Å; L57-S60 PolarHBondContact O-N 2.81Å; L57-L61 VanDerWaalsContact O-CG 3.3Å; L57-L61 WeakPolarHBondContact O-CG 3.41Å; L57-L61 PolarHBondContact O-N 2.78Å
58I89.9Confident90.2Very high60 Ų6041.3 Ų41.331%0.30821%0.205SC..Hα-helixtrans-60.4-47177.4-60.2172.1000110.4A13 A14 L55 M56 L61 H62A13-I58 HydrophobicContact CB-CG1 3.77Å; A14-I58 HydrophobicContact CB-CD1 4.41Å; L55-I58 PolarHBondContact O-N 2.87Å; M56-I58 VanDerWaalsContact C-N 3.25Å; M56-I58 PolarHBondContact O-N 3.34Å; I58-L61 PolarHBondContact O-N 2.82Å; I58-H62 PolarHBondContact O-N 2.92Å
59G92.9Very high90.1Very high12 Ų1239.9 Ų39.912%0.12420%0.201CC..Hα-helixtrans-66.4-37.1176.900000113.1M56 L57 L61 H62 V63 Y125 I129M56-G59 PolarHBondContact O-N 2.91Å; M56-G59 VanDerWaalsContact O-N 3.13Å; L57-G59 VanDerWaalsContact C-N 3.35Å; L57-G59 PolarHBondContact O-N 3.21Å; G59-L61 VanDerWaalsContact C-N 3.34Å; G59-L61 PolarHBondContact O-N 3.15Å; G59-H62 CarbonylContact O-C 3.57Å; G59-H62 WeakPolarHBondContact O-CA 3.21Å; G59-H62 WeakPolarHBondContact O-CB 3.4Å; G59-H62 PolarHBondContact O-N 3.09Å; G59-H62 VanDerWaalsContact O-N 3.11Å; G59-V63 WeakPolarHBondContact O-CG2 3.41Å; G59-V63 PolarHBondContact O-N 3.24Å; G59-Y125 VanDerWaalsContact CA-OH 3.27Å; G59-Y125 WeakPolarHBondContact CA-OH 3.46Å; G59-I129 VanDerWaalsContact CA-CD1 3.47Å
60S95.3Very high89.2Confident9 Ų942.2 Ų42.26%0.06321%0.212CC..Hα-helixtrans-64.2-38.2176.9-66.30000111.9M56 L57 H62 V63 W64 H97 Y125M56-S60 WeakPolarHBondContact O-CB 3.49Å; M56-S60 PolarHBondContact O-N 3.12Å; M56-S60 PolarHBondContact O-OG 2.94Å; L57-S60 PolarHBondContact O-N 2.81Å; S60-H62 VanDerWaalsContact C-N 3.33Å; S60-V63 PolarHBondContact O-N 3.29Å; S60-W64 WeakPolarHBondContact O-CB 3.43Å; S60-W64 PolarHBondContact O-N 2.8Å; S60-H97 PolarHBondContact OG-NE2 2.89Å; S60-Y125 PolarHBondContact N-OH 3.07Å; S60-Y125 WeakPolarHBondContact OG-CE2 3.35Å
61L92.3Very high88.3Confident27 Ų2740.3 Ų40.314%0.14120%0.201CC..Hα-helixtrans-63.9-40172.1-66.2173.5000111.7L9 E10 L57 I58 G59 R65L9-L61 HydrophobicContact CB-CD1 4.13Å; L9-L61 HydrophobicContact CD2-CD1 3.73Å; L9-L61 HydrophobicContact CD2-CD2 3.45Å; L9-L61 VanDerWaalsContact CD2-CD2 3.45Å; L9-L61 HydrophobicContact CD2-CG 4.23Å; L9-L61 HydrophobicContact CG-CD1 3.68Å; L9-L61 HydrophobicContact CG-CD2 4.36Å; E10-L61 HydrophobicContact CG-CD1 4.39Å; L57-L61 VanDerWaalsContact O-CG 3.3Å; L57-L61 WeakPolarHBondContact O-CG 3.41Å; L57-L61 PolarHBondContact O-N 2.78Å; I58-L61 PolarHBondContact O-N 2.82Å; G59-L61 VanDerWaalsContact C-N 3.34Å; G59-L61 PolarHBondContact O-N 3.15Å; L61-R65 WeakPolarHBondContact O-CB 3.48Å; L61-R65 VanDerWaalsContact O-CG 3.3Å; L61-R65 WeakPolarHBondContact O-CG 3.45Å; L61-R65 PolarHBondContact O-N 3.34Å
62H91.6Very high87.3Confident76 Ų7639.5 Ų39.535%0.35220%0.204SC..Hα-helixtrans-64.3-47.8174.3-177.375000111.7I58 G59 S60 W64 R65 S66I58-H62 PolarHBondContact O-N 2.92Å; G59-H62 CarbonylContact O-C 3.57Å; G59-H62 WeakPolarHBondContact O-CA 3.21Å; G59-H62 WeakPolarHBondContact O-CB 3.4Å; G59-H62 PolarHBondContact O-N 3.09Å; G59-H62 VanDerWaalsContact O-N 3.11Å; S60-H62 VanDerWaalsContact C-N 3.33Å; H62-W64 VanDerWaalsContact C-N 3.35Å; H62-W64 PolarHBondContact O-N 3.47Å; H62-R65 PolarHBondContact O-N 3.02Å; H62-S66 WeakPolarHBondContact O-CB 3.41Å; H62-S66 PolarHBondContact O-N 2.65Å; H62-S66 PolarHBondContact O-OG 3.41Å; H62-S66 VanDerWaalsContact O-OG 3.07Å
63V94.4Very high86Confident1 Ų146.4 Ų46.41%0.00623%0.225CC..Hα-helixtrans-56.7-48.6175.6171.10000110.4G59 S60 R65 S66 T67 L93 Y125 L128 I129 L132G59-V63 WeakPolarHBondContact O-CG2 3.41Å; G59-V63 PolarHBondContact O-N 3.24Å; S60-V63 PolarHBondContact O-N 3.29Å; V63-R65 PolarHBondContact O-N 3.1Å; V63-S66 PolarHBondContact O-N 3.47Å; V63-T67 HydrophobicContact CG1-CG2 4.27Å; V63-T67 WeakPolarHBondContact O-CB 3.42Å; V63-T67 WeakPolarHBondContact O-CG2 3.31Å; V63-T67 PolarHBondContact O-N 2.93Å; V63-T67 PolarHBondContact O-OG1 3.29Å; V63-L93 HydrophobicContact CB-CD2 4.34Å; V63-L93 HydrophobicContact CG1-CD2 4.11Å; V63-Y125 HydrophobicContact CG2-CE2 4.48Å; V63-L128 HydrophobicContact CG1-CD2 3.7Å; V63-L128 HydrophobicContact CG2-CD2 4.12Å; V63-L128 HydrophobicContact CG2-CG 4.37Å; V63-I129 HydrophobicContact CG2-CD1 4.33Å; V63-I129 HydrophobicContact CG2-CG1 3.72Å; V63-L132 HydrophobicContact CG2-CD1 4.02Å
64W93.7Very high84.6Confident86 Ų8646.5 Ų46.533%0.32623%0.227SC..Hα-helixtrans-60.9-45.2179.5-177.8-92.7000112.8S60 H62 S66 V68 T69 K86 V89 L90S60-W64 WeakPolarHBondContact O-CB 3.43Å; S60-W64 PolarHBondContact O-N 2.8Å; H62-W64 VanDerWaalsContact C-N 3.35Å; H62-W64 PolarHBondContact O-N 3.47Å; W64-S66 PolarHBondContact O-N 2.88Å; W64-V68 HydrophobicContact CD2-CB 4.02Å; W64-V68 HydrophobicContact CD2-CG1 4.34Å; W64-V68 HydrophobicContact CD2-CG2 4.09Å; W64-V68 HydrophobicContact CE3-CB 4.27Å; W64-V68 HydrophobicContact CE3-CG2 3.83Å; W64-V68 HydrophobicContact CG-CB 4.47Å; W64-V68 HydrophobicContact CH2-CG1 4.05Å; W64-V68 HydrophobicContact CH2-CG2 4.37Å; W64-V68 HydrophobicContact CZ2-CB 4.32Å; W64-V68 HydrophobicContact CZ2-CG1 3.72Å; W64-V68 HydrophobicContact CZ3-CG1 4.47Å; W64-V68 HydrophobicContact CZ3-CG2 3.98Å; W64-V68 WeakPolarHBondContact O-CA 3.37Å; W64-V68 WeakPolarHBondContact O-CB 3.31Å; W64-V68 PolarHBondContact O-N 3.24Å; W64-T69 PolarHBondContact O-N 2.79Å; W64-T69 VanDerWaalsContact O-N 3.11Å; W64-K86 HydrophobicContact CH2-CB 4.48Å; W64-V89 HydrophobicContact CE3-CG1 4.07Å; W64-V89 HydrophobicContact CZ3-CG1 4.4Å; W64-L90 HydrophobicContact CZ3-CB 4.32Å
65R89.9Confident83.1Confident122 Ų12250.8 Ų50.846%0.4626%0.258SS..Iπ-helixtrans-60.3-48.7176.6-76.2175178.2175.94.1110.8E10 L61 H62 V63 T69 M70E10-R65 IonicContact OE1-CZ 3.72Å; E10-R65 IonicContact OE1-NE 2.72Å; E10-R65 IonicContact OE1-NH1 2.61Å; E10-R65 PolarHBondContact OE1-NH1 3.26Å; E10-R65 IonicContact OE1-NH2 3.77Å; E10-R65 PolarHBondContact OE1-NH2 3.16Å; E10-R65 IonicContact OE2-NH1 2.74Å; E10-R65 IonicContact OE2-NH2 2.81Å; E10-R65 PolarHBondContact OE2-NH2 3.39Å; L61-R65 WeakPolarHBondContact O-CB 3.48Å; L61-R65 VanDerWaalsContact O-CG 3.3Å; L61-R65 WeakPolarHBondContact O-CG 3.45Å; L61-R65 PolarHBondContact O-N 3.34Å; H62-R65 PolarHBondContact O-N 3.02Å; V63-R65 PolarHBondContact O-N 3.1Å; R65-T69 PolarHBondContact O-N 2.89Å; R65-M70 WeakPolarHBondContact O-CG 3.5Å; R65-M70 PolarHBondContact O-N 2.87Å; R65-M70 VanDerWaalsContact O-N 3.13Å
66S88.3Confident81.5Confident21 Ų2150.3 Ų50.315%0.14726%0.259CS..Iπ-helixtrans-70.6-34.4-175.9-64.30000113.4H62 V63 W64 S163H62-S66 WeakPolarHBondContact O-CB 3.41Å; H62-S66 PolarHBondContact O-N 2.65Å; H62-S66 PolarHBondContact O-OG 3.41Å; H62-S66 VanDerWaalsContact O-OG 3.07Å; V63-S66 PolarHBondContact O-N 3.47Å; W64-S66 PolarHBondContact O-N 2.88Å; S66-S163 WeakPolarHBondContact O-CB 3.49Å; S66-S163 PolarHBondContact O-OG 3.01Å
67T88.8Confident79.7Confident2 Ų251.2 Ų51.21%0.01227%0.269CS..Iπ-helixtrans-108.3-16.2-171.264.50000114.8V63 F71 W85 L132 V167V63-T67 HydrophobicContact CG1-CG2 4.27Å; V63-T67 WeakPolarHBondContact O-CB 3.42Å; V63-T67 WeakPolarHBondContact O-CG2 3.31Å; V63-T67 PolarHBondContact O-N 2.93Å; V63-T67 PolarHBondContact O-OG1 3.29Å; T67-F71 WeakPolarHBondContact O-CD2 3.39Å; T67-F71 WeakPolarHBondContact O-CE2 3.23Å; T67-W85 PolarHBondContact O-NE1 3.34Å; T67-L132 HydrophobicContact CG2-CD1 4.42Å; T67-V167 HydrophobicContact CG2-CG2 4.24Å
68V87.4Confident78Confident4 Ų453.1 Ų53.12%0.02429%0.287CS..Iπ-helixtrans-119.6-55-179.9176.30000111.1W64 M70 F71 S72 F82 K86 V89W64-V68 HydrophobicContact CD2-CB 4.02Å; W64-V68 HydrophobicContact CD2-CG1 4.34Å; W64-V68 HydrophobicContact CD2-CG2 4.09Å; W64-V68 HydrophobicContact CE3-CB 4.27Å; W64-V68 HydrophobicContact CE3-CG2 3.83Å; W64-V68 HydrophobicContact CG-CB 4.47Å; W64-V68 HydrophobicContact CH2-CG1 4.05Å; W64-V68 HydrophobicContact CH2-CG2 4.37Å; W64-V68 HydrophobicContact CZ2-CB 4.32Å; W64-V68 HydrophobicContact CZ2-CG1 3.72Å; W64-V68 HydrophobicContact CZ3-CG1 4.47Å; W64-V68 HydrophobicContact CZ3-CG2 3.98Å; W64-V68 WeakPolarHBondContact O-CA 3.37Å; W64-V68 WeakPolarHBondContact O-CB 3.31Å; W64-V68 PolarHBondContact O-N 3.24Å; V68-M70 VanDerWaalsContact C-N 3.32Å; V68-M70 PolarHBondContact O-N 3.2Å; V68-F71 PolarHBondContact O-N 2.99Å; V68-S72 PolarHBondContact O-N 2.94Å; V68-F82 HydrophobicContact CG1-CE2 4.49Å; V68-F82 HydrophobicContact CG1-CZ 4.26Å; V68-K86 HydrophobicContact CG1-CD 4.39Å; V68-K86 HydrophobicContact CG1-CG 3.74Å; V68-V89 HydrophobicContact CG2-CB 3.92Å; V68-V89 HydrophobicContact CG2-CG1 3.88Å; V68-V89 HydrophobicContact CG2-CG2 3.95Å
69T81.7Confident76.7Confident38 Ų3853 Ų5323%0.23329%0.292CS..Iπ-helixtrans-67.5-33.8-173.4-52.50000112W64 R65 S72W64-T69 PolarHBondContact O-N 2.79Å; W64-T69 VanDerWaalsContact O-N 3.11Å; R65-T69 PolarHBondContact O-N 2.89Å; T69-S72 PolarHBondContact O-OG 3.11Å
70M71.2Confident75.2Confident54 Ų5461.8 Ų61.827%0.26633%0.327SS..THydrogen-bonded Turntrans-73.4-37.1176.8-69.6-55.9101.200112.7R65 V68 S72 R73 T159R65-M70 WeakPolarHBondContact O-CG 3.5Å; R65-M70 PolarHBondContact O-N 2.87Å; R65-M70 VanDerWaalsContact O-N 3.13Å; V68-M70 VanDerWaalsContact C-N 3.32Å; V68-M70 PolarHBondContact O-N 3.2Å; M70-S72 VanDerWaalsContact C-N 3.31Å; M70-S72 PolarHBondContact O-N 3.24Å; M70-R73 PolarHBondContact O-N 3.29Å; M70-T159 HydrophobicContact CG-CG2 4.39Å
71F70.2Confident74.1Confident31 Ų3165.7 Ų65.714%0.13635%0.354CS..G310 helixtrans-68.2-32.7176-73.6-87.2000112T67 V68 R73 S74 F82 A160 V164T67-F71 WeakPolarHBondContact O-CD2 3.39Å; T67-F71 WeakPolarHBondContact O-CE2 3.23Å; V68-F71 PolarHBondContact O-N 2.99Å; F71-R73 PolarHBondContact O-N 2.84Å; F71-R73 VanDerWaalsContact O-N 3.14Å; F71-S74 PolarHBondContact O-N 3.47Å; F71-S74 VanDerWaalsContact O-N 3.1Å; F71-S74 PolarHBondContact O-OG 2.96Å; F71-F82 HydrophobicContact CB-CE2 4.13Å; F71-A160 HydrophobicContact CE1-CB 4.18Å; F71-V164 HydrophobicContact CE1-CG2 3.83Å; F71-V164 HydrophobicContact CZ-CG2 3.65Å
72S65.5Low73.6Confident52 Ų5265.5 Ų65.536%0.36435%0.352SS..G310 helixtrans-62.6-17.5174.193.70000114V68 T69 M70 A77V68-S72 PolarHBondContact O-N 2.94Å; T69-S72 PolarHBondContact O-OG 3.11Å; M70-S72 VanDerWaalsContact C-N 3.31Å; M70-S72 PolarHBondContact O-N 3.24Å; S72-A77 WeakPolarHBondContact O-CB 3.33Å
73R62.5Low73.4Confident165 Ų16566.1 Ų66.162%0.62336%0.361SS*.G310 helixtrans-101.3-1.6179.5-64.6177179.1-173-1.6113M70 F71 N156M70-R73 PolarHBondContact O-N 3.29Å; F71-R73 PolarHBondContact O-N 2.84Å; F71-R73 VanDerWaalsContact O-N 3.14Å; R73-N156 PolarHBondContact O-ND2 3.16Å
74S61Low73.2Confident23 Ų2369.4 Ų69.416%0.16138%0.382CS..SBendtrans-95.3162.2175740000110.4F71 V76 A77F71-S74 PolarHBondContact O-N 3.47Å; F71-S74 VanDerWaalsContact O-N 3.1Å; F71-S74 PolarHBondContact O-OG 2.96Å; S74-V76 PolarHBondContact O-N 3.22Å; S74-V76 WeakPolarHBondContact OG-CB 3.49Å; S74-V76 PolarHBondContact OG-N 3.16Å; S74-A77 VanDerWaalsContact O-CB 3.29Å; S74-A77 WeakPolarHBondContact O-CB 3.32Å; S74-A77 PolarHBondContact O-N 2.85Å
75S56.2Low73Confident112 Ų11269.4 Ų69.478%0.78338%0.382SS*.G310 helixtrans-60.5-7.5174.757.20000114A77 S78S75-A77 VanDerWaalsContact C-N 3.31Å; S75-S78 PolarHBondContact O-OG 3.37Å; S75-S78 VanDerWaalsContact O-OG 3.1Å
76V53.5Low73.1Confident77 Ų7767.2 Ų67.247%0.46738%0.376SS..G310 helixtrans-78.1-14.7174.4-173.30000112S74 S78 S79S74-V76 PolarHBondContact O-N 3.22Å; S74-V76 WeakPolarHBondContact OG-CB 3.49Å; S74-V76 PolarHBondContact OG-N 3.16Å; V76-S78 PolarHBondContact O-N 3.47Å; V76-S79 VanDerWaalsContact O-CB 3.27Å; V76-S79 WeakPolarHBondContact O-CB 3.39Å; V76-S79 PolarHBondContact O-N 2.89Å; V76-S79 VanDerWaalsContact O-N 3.1Å; V76-S79 PolarHBondContact O-OG 2.92Å
77A54.5Low73.4Confident33 Ų3371 Ų7127%0.27339%0.393SS..G310 helixtrans-65.7-21.5-179.100000114.1S72 S74 S75 S79S72-A77 WeakPolarHBondContact O-CB 3.33Å; S74-A77 VanDerWaalsContact O-CB 3.29Å; S74-A77 WeakPolarHBondContact O-CB 3.32Å; S74-A77 PolarHBondContact O-N 2.85Å; S75-A77 VanDerWaalsContact C-N 3.31Å; A77-S79 VanDerWaalsContact C-N 3.3Å
78S56.4Low73.7Confident110 Ų11073.3 Ų73.377%0.76941%0.413SS*.G310 helixtrans-83.5-1.6175.452.90000113.6S75 V76S75-S78 PolarHBondContact O-OG 3.37Å; S75-S78 VanDerWaalsContact O-OG 3.1Å; V76-S78 PolarHBondContact O-N 3.47Å
79S62.7Low74.1Confident57 Ų5773.5 Ų73.540%0.39941%0.414SS..SBendtrans-80.2142.1-179.3-60.50000112.3V76 A77 C81 F82V76-S79 VanDerWaalsContact O-CB 3.27Å; V76-S79 WeakPolarHBondContact O-CB 3.39Å; V76-S79 PolarHBondContact O-N 2.89Å; V76-S79 VanDerWaalsContact O-N 3.1Å; V76-S79 PolarHBondContact O-OG 2.92Å; A77-S79 VanDerWaalsContact C-N 3.3Å; S79-C81 PolarHBondContact O-N 3.35Å; S79-F82 PolarHBondContact O-N 3.01Å
80F61.5Low74.8Confident197 Ų19776.8 Ų76.886%0.86443%0.43SS*.THydrogen-bonded Turntrans-51.4-25.7173.1-175.3-103.5000113.5F82 P84F80-F82 VanDerWaalsContact C-N 3.33Å; F80-F82 PolarHBondContact O-N 3.47Å; F80-P84 WeakPolarHBondContact O-CD 3.19Å
81C72.5Confident76Confident92 Ų9277.8 Ų77.862%0.62244%0.439SS*.THydrogen-bonded Turntrans-75.9-9.7-179.9-57.10000115.1S79 W85S79-C81 PolarHBondContact O-N 3.35Å; C81-W85 WeakPolarHBondContact O-CB 3.44Å; C81-W85 PolarHBondContact O-N 2.97Å; C81-W85 VanDerWaalsContact O-N 3.15Å
82F82.3Confident77.3Confident23 Ų2378.3 Ų78.310%0.10144%0.441CS..Hα-helixtrans-73.1-36.7-172.6-172.2-128.3000113.6V68 F71 S79 F80 W85 K86V68-F82 HydrophobicContact CG1-CE2 4.49Å; V68-F82 HydrophobicContact CG1-CZ 4.26Å; F71-F82 HydrophobicContact CB-CE2 4.13Å; S79-F82 PolarHBondContact O-N 3.01Å; F80-F82 VanDerWaalsContact C-N 3.33Å; F80-F82 PolarHBondContact O-N 3.47Å; F82-W85 PolarHBondContact O-N 3.37Å; F82-K86 VanDerWaalsContact CD1-CE 3.47Å; F82-K86 HydrophobicContact CE1-CD 4.36Å; F82-K86 HydrophobicContact CE2-CG 4.47Å; F82-K86 HydrophobicContact CZ-CD 4.41Å; F82-K86 HydrophobicContact CZ-CG 4.33Å; F82-K86 WeakPolarHBondContact O-CG 3.13Å; F82-K86 PolarHBondContact O-N 3.11Å; F82-K86 VanDerWaalsContact O-N 3.14Å
83V86.3Confident78.9Confident89 Ų8976.5 Ų76.554%0.53943%0.427SS..Hα-helixtrans-67.7-49.7176.2174.10000111.6W85 K86 I87V83-W85 VanDerWaalsContact C-N 3.25Å; V83-W85 PolarHBondContact O-N 3.45Å; V83-K86 PolarHBondContact O-N 2.66Å; V83-K86 VanDerWaalsContact O-N 3.16Å; V83-I87 HydrophobicContact CG1-CD1 4Å; V83-I87 WeakPolarHBondContact O-CG1 3.34Å; V83-I87 PolarHBondContact O-N 3.4Å; V83-I87 VanDerWaalsContact O-N 3.14Å
84P90.8Very high80.5Confident70 Ų7071.4 Ų71.446%0.45542%0.42SS..Hα-helixtrans-53.5-40.8172.5-28.434.9000113.4F80 I87 A88F80-P84 WeakPolarHBondContact O-CD 3.19Å; P84-I87 PolarHBondContact O-N 3.05Å; P84-A88 WeakPolarHBondContact O-CB 3.38Å; P84-A88 PolarHBondContact O-N 3.3Å
85W90.2Very high82.3Confident86 Ų8672.1 Ų72.133%0.32642%0.422SS..Hα-helixtrans-62.4-44.2177.2176.2-109.5000113.1T67 C81 F82 V83 I87 A88 V89 V167T67-W85 PolarHBondContact O-NE1 3.34Å; C81-W85 WeakPolarHBondContact O-CB 3.44Å; C81-W85 PolarHBondContact O-N 2.97Å; C81-W85 VanDerWaalsContact O-N 3.15Å; F82-W85 PolarHBondContact O-N 3.37Å; V83-W85 VanDerWaalsContact C-N 3.25Å; V83-W85 PolarHBondContact O-N 3.45Å; W85-I87 VanDerWaalsContact C-N 3.3Å; W85-I87 PolarHBondContact O-N 2.87Å; W85-A88 WeakPolarHBondContact O-CB 3.47Å; W85-A88 PolarHBondContact O-N 3.36Å; W85-V89 HydrophobicContact CD2-CG2 4.09Å; W85-V89 HydrophobicContact CH2-CG2 4.21Å; W85-V89 HydrophobicContact CZ2-CG2 3.68Å; W85-V89 WeakPolarHBondContact O-CG2 3.04Å; W85-V89 PolarHBondContact O-N 3.37Å; W85-V167 HydrophobicContact CH2-CG1 4.17Å; W85-V167 HydrophobicContact CH2-CG2 4.34Å
86K91.1Very high84.2Confident75 Ų7566.8 Ų66.833%0.32639%0.385SS..Hα-helixtrans-58.3-44.6175-70.5-179.6-161.51720111.8W64 V68 F82 V83 A88 V89 L90W64-K86 HydrophobicContact CH2-CB 4.48Å; V68-K86 HydrophobicContact CG1-CD 4.39Å; V68-K86 HydrophobicContact CG1-CG 3.74Å; F82-K86 VanDerWaalsContact CD1-CE 3.47Å; F82-K86 HydrophobicContact CE1-CD 4.36Å; F82-K86 HydrophobicContact CE2-CG 4.47Å; F82-K86 HydrophobicContact CZ-CD 4.41Å; F82-K86 HydrophobicContact CZ-CG 4.33Å; F82-K86 WeakPolarHBondContact O-CG 3.13Å; F82-K86 PolarHBondContact O-N 3.11Å; F82-K86 VanDerWaalsContact O-N 3.14Å; V83-K86 PolarHBondContact O-N 2.66Å; V83-K86 VanDerWaalsContact O-N 3.16Å; K86-A88 VanDerWaalsContact C-N 3.32Å; K86-V89 PolarHBondContact O-N 3.41Å; K86-L90 WeakPolarHBondContact O-CB 3.29Å; K86-L90 PolarHBondContact O-N 3.33Å
87I94.1Very high86.3Confident100 Ų10064.7 Ų64.751%0.51337%0.37SS..Hα-helixtrans-63.4-42.9179.3-65169.1000109.7V83 P84 W85 L90 T91V83-I87 HydrophobicContact CG1-CD1 4Å; V83-I87 WeakPolarHBondContact O-CG1 3.34Å; V83-I87 PolarHBondContact O-N 3.4Å; V83-I87 VanDerWaalsContact O-N 3.14Å; P84-I87 PolarHBondContact O-N 3.05Å; W85-I87 VanDerWaalsContact C-N 3.3Å; W85-I87 PolarHBondContact O-N 2.87Å; I87-L90 PolarHBondContact O-N 3.24Å; I87-T91 VanDerWaalsContact O-CB 3.32Å; I87-T91 WeakPolarHBondContact O-CB 3.42Å; I87-T91 PolarHBondContact O-N 3.38Å; I87-T91 PolarHBondContact O-OG1 3.19Å
88A95.1Very high88.2Confident51 Ų5164.1 Ų64.142%0.42136%0.364SS..Hα-helixtrans-60.7-48.3176.800000112P84 W85 K86 T91 F92P84-A88 WeakPolarHBondContact O-CB 3.38Å; P84-A88 PolarHBondContact O-N 3.3Å; W85-A88 WeakPolarHBondContact O-CB 3.47Å; W85-A88 PolarHBondContact O-N 3.36Å; K86-A88 VanDerWaalsContact C-N 3.32Å; A88-T91 PolarHBondContact O-N 2.8Å; A88-F92 VanDerWaalsContact O-CB 3.3Å; A88-F92 WeakPolarHBondContact O-CB 3.45Å; A88-F92 PolarHBondContact O-N 2.76Å
89V96Very high90Very high9 Ų958.9 Ų58.96%0.05533%0.327CS..Hα-helixtrans-63.7-42.8177.5175.90000111.3W64 V68 W85 K86 T91 F92 L93W64-V89 HydrophobicContact CE3-CG1 4.07Å; W64-V89 HydrophobicContact CZ3-CG1 4.4Å; V68-V89 HydrophobicContact CG2-CB 3.92Å; V68-V89 HydrophobicContact CG2-CG1 3.88Å; V68-V89 HydrophobicContact CG2-CG2 3.95Å; W85-V89 HydrophobicContact CD2-CG2 4.09Å; W85-V89 HydrophobicContact CH2-CG2 4.21Å; W85-V89 HydrophobicContact CZ2-CG2 3.68Å; W85-V89 WeakPolarHBondContact O-CG2 3.04Å; W85-V89 PolarHBondContact O-N 3.37Å; K86-V89 PolarHBondContact O-N 3.41Å; V89-T91 PolarHBondContact O-N 3.33Å; V89-F92 PolarHBondContact O-N 3.12Å; V89-L93 HydrophobicContact CG1-CD1 4.05Å; V89-L93 HydrophobicContact CG1-CG 4.38Å; V89-L93 VanDerWaalsContact O-CG 3.3Å; V89-L93 WeakPolarHBondContact O-CG 3.41Å; V89-L93 PolarHBondContact O-N 2.81Å
90L96.3Very high91.3Very high107 Ų10759 Ų5956%0.5632%0.321SS*.Hα-helixtrans-62.4-44.3177.8-176.464.6000111.5W64 K86 I87 L93 A94W64-L90 HydrophobicContact CZ3-CB 4.32Å; K86-L90 WeakPolarHBondContact O-CB 3.29Å; K86-L90 PolarHBondContact O-N 3.33Å; I87-L90 PolarHBondContact O-N 3.24Å; L90-L93 PolarHBondContact O-N 2.73Å; L90-A94 WeakPolarHBondContact O-CB 3.34Å; L90-A94 PolarHBondContact O-N 2.94Å
91T97.6Very high92.7Very high74 Ų7453.3 Ų53.345%0.45430%0.296SS..Hα-helixtrans-63.9-44.3177.9-550000110.9I87 A88 V89 L93 A94 L95I87-T91 VanDerWaalsContact O-CB 3.32Å; I87-T91 WeakPolarHBondContact O-CB 3.42Å; I87-T91 PolarHBondContact O-N 3.38Å; I87-T91 PolarHBondContact O-OG1 3.19Å; A88-T91 PolarHBondContact O-N 2.8Å; V89-T91 PolarHBondContact O-N 3.33Å; T91-L93 PolarHBondContact O-N 3.3Å; T91-A94 PolarHBondContact O-N 2.78Å; T91-L95 HydrophobicContact CG2-CD1 4.13Å; T91-L95 WeakPolarHBondContact O-CB 3.45Å; T91-L95 WeakPolarHBondContact O-CG 3.46Å; T91-L95 PolarHBondContact O-N 3.33Å
92F98.3Very high93.6Very high42 Ų4249 Ų4918%0.18427%0.267CS..Hα-helixtrans-57.1-48.7175163.8-105.4000112.2A88 V89 L95 A96 C121 A124 Y125 L128A88-F92 VanDerWaalsContact O-CB 3.3Å; A88-F92 WeakPolarHBondContact O-CB 3.45Å; A88-F92 PolarHBondContact O-N 2.76Å; V89-F92 PolarHBondContact O-N 3.12Å; F92-L95 PolarHBondContact O-N 3.41Å; F92-A96 WeakPolarHBondContact O-CB 3.35Å; F92-A96 PolarHBondContact O-N 3.2Å; F92-C121 HydrophobicContact CD2-CB 3.97Å; F92-C121 HydrophobicContact CE2-CB 4.05Å; F92-C121 WeakPolarHBondContact CE2-O 3.42Å; F92-A124 HydrophobicContact CE2-CB 3.86Å; F92-A124 HydrophobicContact CZ-CB 4.31Å; F92-Y125 HydrophobicContact CE1-CD2 4.49Å; F92-L128 HydrophobicContact CE1-CD2 4.01Å; F92-L128 HydrophobicContact CZ-CD2 4.41Å
93L97.7Very high93.8Very high14 Ų1449.1 Ų49.17%0.07327%0.269CS..Hα-helixtrans-65.6-42.3178.2-66.9175.8000111.3V63 V89 L90 T91 L95 A96 H97 Y125V63-L93 HydrophobicContact CB-CD2 4.34Å; V63-L93 HydrophobicContact CG1-CD2 4.11Å; V89-L93 HydrophobicContact CG1-CD1 4.05Å; V89-L93 HydrophobicContact CG1-CG 4.38Å; V89-L93 VanDerWaalsContact O-CG 3.3Å; V89-L93 WeakPolarHBondContact O-CG 3.41Å; V89-L93 PolarHBondContact O-N 2.81Å; L90-L93 PolarHBondContact O-N 2.73Å; T91-L93 PolarHBondContact O-N 3.3Å; L93-L95 PolarHBondContact O-N 3.42Å; L93-A96 PolarHBondContact O-N 3.05Å; L93-H97 WeakPolarHBondContact O-CB 3.43Å; L93-H97 PolarHBondContact O-CD2 2.83Å; L93-H97 VanDerWaalsContact O-CD2 3.22Å; L93-H97 PolarHBondContact O-N 2.98Å; L93-Y125 HydrophobicContact CD2-CD2 3.91Å; L93-Y125 HydrophobicContact CD2-CE2 4.07Å
94A97.1Very high93.9Very high58 Ų5845.5 Ų45.548%0.47925%0.247SC..Hα-helixtrans-60.4-44176.500000111.9L90 T91 H97 S98L90-A94 WeakPolarHBondContact O-CB 3.34Å; L90-A94 PolarHBondContact O-N 2.94Å; T91-A94 PolarHBondContact O-N 2.78Å; A94-H97 PolarHBondContact O-N 3.06Å; A94-S98 WeakPolarHBondContact O-CB 3.42Å; A94-S98 PolarHBondContact O-N 3.01Å
95L97.8Very high93.7Very high39 Ų3948.5 Ų48.520%0.20425%0.253CS..Hα-helixtrans-62.8-47.2175.3-76.7171.7000111.6T91 F92 L93 H97 S98 S99 F114 A118 C121T91-L95 HydrophobicContact CG2-CD1 4.13Å; T91-L95 WeakPolarHBondContact O-CB 3.45Å; T91-L95 WeakPolarHBondContact O-CG 3.46Å; T91-L95 PolarHBondContact O-N 3.33Å; F92-L95 PolarHBondContact O-N 3.41Å; L93-L95 PolarHBondContact O-N 3.42Å; L95-H97 VanDerWaalsContact C-N 3.34Å; L95-H97 PolarHBondContact O-N 2.72Å; L95-S98 WeakPolarHBondContact CA-OG 3.45Å; L95-S98 PolarHBondContact O-N 3.16Å; L95-S98 VanDerWaalsContact O-N 3.11Å; L95-S98 PolarHBondContact O-OG 2.7Å; L95-S99 PolarHBondContact O-N 3.25Å; L95-F114 HydrophobicContact CD2-CD2 4.2Å; L95-F114 HydrophobicContact CD2-CE2 3.58Å; L95-F114 HydrophobicContact CD2-CZ 4.03Å; L95-A118 WeakPolarHBondContact O-CA 3.28Å; L95-A118 WeakPolarHBondContact O-CB 3.11Å; L95-C121 HydrophobicContact CB-CB 3.86Å
96A97.5Very high93.8Very high0 Ų047 Ų470%025%0.251CS..Hα-helixtrans-57.2-46.4176.500000111.8M56 F92 L93 S98 S99 C121 Y125M56-A96 HydrophobicContact CE-CB 4Å; F92-A96 WeakPolarHBondContact O-CB 3.35Å; F92-A96 PolarHBondContact O-N 3.2Å; L93-A96 PolarHBondContact O-N 3.05Å; A96-S98 VanDerWaalsContact C-N 3.32Å; A96-S98 PolarHBondContact O-N 2.98Å; A96-S99 WeakPolarHBondContact O-CB 3.38Å; A96-S99 PolarHBondContact O-N 2.94Å; A96-S99 PolarHBondContact O-OG 3.11Å; A96-C121 HydrophobicContact CB-CB 4.05Å; A96-Y125 HydrophobicContact CB-CG 4.37Å
97H95.8Very high93.9Very high33 Ų3344.3 Ų44.315%0.15324%0.241CC..Hα-helixtrans-64.6-33.3176-85.7-87.6000113.1N53 M56 S60 L93 A94 L95 S99N53-H97 PolarHBondContact ND2-O 3.2Å; N53-H97 PolarHBondContact O-CE1 3.34Å; N53-H97 WeakPolarHBondContact OD1-CB 3.37Å; N53-H97 PolarHBondContact OD1-ND1 3.2Å; N53-H97 PolarHBondContact OD1-O 3.13Å; N53-H97 VanDerWaalsContact OD1-O 3.07Å; M56-H97 VanDerWaalsContact CB-CE1 3.44Å; M56-H97 WeakPolarHBondContact CB-CE1 3.46Å; S60-H97 PolarHBondContact OG-NE2 2.89Å; L93-H97 WeakPolarHBondContact O-CB 3.43Å; L93-H97 PolarHBondContact O-CD2 2.83Å; L93-H97 VanDerWaalsContact O-CD2 3.22Å; L93-H97 PolarHBondContact O-N 2.98Å; A94-H97 PolarHBondContact O-N 3.06Å; L95-H97 VanDerWaalsContact C-N 3.34Å; L95-H97 PolarHBondContact O-N 2.72Å; H97-S99 VanDerWaalsContact C-N 3.28Å; H97-S99 PolarHBondContact O-N 3.47Å
98S95.9Very high93.9Very high21 Ų2140.7 Ų40.715%0.14723%0.226CC..Hα-helixtrans-69.4-21.2178.5750000114.2A94 L95 A96 F100 F101 T102 F114 A118A94-S98 WeakPolarHBondContact O-CB 3.42Å; A94-S98 PolarHBondContact O-N 3.01Å; L95-S98 WeakPolarHBondContact CA-OG 3.45Å; L95-S98 PolarHBondContact O-N 3.16Å; L95-S98 VanDerWaalsContact O-N 3.11Å; L95-S98 PolarHBondContact O-OG 2.7Å; A96-S98 VanDerWaalsContact C-N 3.32Å; A96-S98 PolarHBondContact O-N 2.98Å; S98-F100 PolarHBondContact O-N 2.99Å; S98-F101 WeakPolarHBondContact O-CA 3.44Å; S98-F101 WeakPolarHBondContact O-CB 3.28Å; S98-F101 PolarHBondContact O-N 2.95Å; S98-T102 WeakPolarHBondContact O-CG2 3.31Å; S98-T102 PolarHBondContact O-N 3.14Å; S98-F114 WeakPolarHBondContact OG-CZ 3.48Å; S98-A118 WeakPolarHBondContact OG-CB 3.3Å
99S94.5Very high93.9Very high0 Ų042.2 Ų42.20%022%0.224CC..Hα-helixtrans-47.1-54.2-177.958.30000113.3L95 A96 H97 F101 T102 Y119L95-S99 PolarHBondContact O-N 3.25Å; A96-S99 WeakPolarHBondContact O-CB 3.38Å; A96-S99 PolarHBondContact O-N 2.94Å; A96-S99 PolarHBondContact O-OG 3.11Å; H97-S99 VanDerWaalsContact C-N 3.28Å; H97-S99 PolarHBondContact O-N 3.47Å; S99-F101 PolarHBondContact O-N 2.81Å; S99-T102 WeakPolarHBondContact O-CB 3.26Å; S99-T102 PolarHBondContact O-N 2.82Å; S99-T102 PolarHBondContact O-OG1 3.44Å; S99-Y119 WeakPolarHBondContact O-CE2 3.31Å; S99-Y119 PolarHBondContact O-OH 2.88Å
100F88.6Confident93.9Very high59 Ų5945.1 Ų45.126%0.25924%0.237SC..Hα-helixtrans-67.5-18.7-179.9-70.1-76.6000114.1V49 A52 M56 S98 V103 L122V49-F100 HydrophobicContact CB-CB 4.3Å; V49-F100 HydrophobicContact CG1-CB 3.88Å; V49-F100 HydrophobicContact CG2-CB 4.05Å; V49-F100 WeakPolarHBondContact CG2-O 3.4Å; A52-F100 HydrophobicContact CB-CD1 4.27Å; A52-F100 HydrophobicContact CB-CD2 3.97Å; A52-F100 HydrophobicContact CB-CE1 4.13Å; A52-F100 HydrophobicContact CB-CE2 3.83Å; A52-F100 HydrophobicContact CB-CG 4.19Å; A52-F100 HydrophobicContact CB-CZ 3.91Å; M56-F100 HydrophobicContact SD-CD2 4.01Å; M56-F100 HydrophobicContact SD-CE2 3.68Å; S98-F100 PolarHBondContact O-N 2.99Å; F100-V103 WeakPolarHBondContact O-CG1 3.42Å; F100-L122 HydrophobicContact CE2-CD1 4.06Å; F100-L122 HydrophobicContact CE2-CD2 3.87Å; F100-L122 HydrophobicContact CZ-CD2 3.99Å
101F91.3Very high93.9Very high78 Ų7841.5 Ų41.534%0.34222%0.22SC..Hα-helixtrans-80-27.9171.3-66.7-84.7000111.6V49 N53 S98 S99 V103 L104 F105V49-F101 HydrophobicContact CG1-CD1 3.78Å; V49-F101 HydrophobicContact CG1-CD2 4.07Å; V49-F101 HydrophobicContact CG1-CE1 3.64Å; V49-F101 HydrophobicContact CG1-CE2 3.95Å; V49-F101 HydrophobicContact CG1-CG 4Å; V49-F101 HydrophobicContact CG1-CZ 3.73Å; N53-F101 WeakPolarHBondContact ND2-CE2 3.38Å; S98-F101 WeakPolarHBondContact O-CA 3.44Å; S98-F101 WeakPolarHBondContact O-CB 3.28Å; S98-F101 PolarHBondContact O-N 2.95Å; S99-F101 PolarHBondContact O-N 2.81Å; F101-V103 VanDerWaalsContact C-N 3.3Å; F101-V103 PolarHBondContact O-N 2.98Å; F101-L104 WeakPolarHBondContact O-CB 3.33Å; F101-L104 PolarHBondContact O-N 3.01Å; F101-L104 VanDerWaalsContact O-N 3.07Å; F101-F105 HydrophobicContact CD1-CE2 4.49Å; F101-F105 WeakPolarHBondContact O-CD2 3.38Å; F101-F105 PolarHBondContact O-N 3.09Å
102T91.6Very high93.9Very high2 Ų243.2 Ų43.21%0.01222%0.219CC..Hα-helixtrans-65.6-32-179.471.90000112.6S98 S99 L104 F105 L106 F114 S115 A118 Y119S98-T102 WeakPolarHBondContact O-CG2 3.31Å; S98-T102 PolarHBondContact O-N 3.14Å; S99-T102 WeakPolarHBondContact O-CB 3.26Å; S99-T102 PolarHBondContact O-N 2.82Å; S99-T102 PolarHBondContact O-OG1 3.44Å; T102-L104 PolarHBondContact O-N 3.26Å; T102-F105 PolarHBondContact O-N 2.82Å; T102-L106 HydrophobicContact CG2-CD1 3.96Å; T102-L106 CarbonylContact O-C 3.56Å; T102-L106 VanDerWaalsContact O-CA 3.31Å; T102-L106 WeakPolarHBondContact O-CA 3.44Å; T102-L106 WeakPolarHBondContact O-CB 3.5Å; T102-L106 PolarHBondContact O-N 2.83Å; T102-F114 HydrophobicContact CG2-CD1 3.8Å; T102-F114 HydrophobicContact CG2-CE1 3.75Å; T102-S115 WeakPolarHBondContact CB-OG 3.04Å; T102-A118 HydrophobicContact CG2-CB 4.17Å; T102-Y119 WeakPolarHBondContact OG1-CE2 3.48Å
103V87.1Confident93.9Very high25 Ų2549.5 Ų49.515%0.15225%0.246CC..Hα-helixtrans-66.7-21173.865.40000113.4R45 F100 F101 P216 D246R45-V103 PolarHBondContact NH2-O 3.46Å; F100-V103 WeakPolarHBondContact O-CG1 3.42Å; F101-V103 VanDerWaalsContact C-N 3.3Å; F101-V103 PolarHBondContact O-N 2.98Å; V103-P216 HydrophobicContact CB-CG 4.11Å; V103-P216 HydrophobicContact CG2-CG 4.24Å; V103-D246 HydrophobicContact CG2-CB 4.49Å
104L86.9Confident93.9Very high13 Ų1353.3 Ų53.37%0.06826%0.263CS..Hα-helixtrans-84.2-33.6177.6-58.9-177.2000113W42 R45 V49 F101 T102W42-L104 HydrophobicContact CZ3-CB 4.36Å; R45-L104 HydrophobicContact CB-CD2 3.62Å; V49-L104 HydrophobicContact CB-CD1 4.4Å; V49-L104 HydrophobicContact CG2-CD1 3.84Å; V49-L104 HydrophobicContact CG2-CD2 4.21Å; V49-L104 HydrophobicContact CG2-CG 4.02Å; F101-L104 WeakPolarHBondContact O-CB 3.33Å; F101-L104 PolarHBondContact O-N 3.01Å; F101-L104 VanDerWaalsContact O-N 3.07Å; T102-L104 PolarHBondContact O-N 3.26Å
105F88.5Confident93.9Very high133 Ų13350.5 Ų50.558%0.58324%0.24SC*.Hα-helixtrans-129.7-21.2-164.7-55.2-64.1000114.7W42 F101 T102W42-F105 HydrophobicContact CH2-CD1 4.25Å; W42-F105 AromaticContact CH2-CE1 3.71Å; W42-F105 HydrophobicContact CH2-CE1 3.71Å; W42-F105 HydrophobicContact CH2-CZ 4.42Å; W42-F105 AromaticContact CZ3-CE1 3.91Å; W42-F105 HydrophobicContact CZ3-CE1 3.91Å; W42-F105 HydrophobicContact CZ3-CZ 4.18Å; F101-F105 HydrophobicContact CD1-CE2 4.49Å; F101-F105 WeakPolarHBondContact O-CD2 3.38Å; F101-F105 PolarHBondContact O-N 3.09Å; T102-F105 PolarHBondContact O-N 2.82Å
106L92Very high93.8Very high54 Ų5451.3 Ų51.328%0.28324%0.244SC..  trans-121.458.3-170.9-60.4-178.7000110.3T102 Y112 F114 S115T102-L106 HydrophobicContact CG2-CD1 3.96Å; T102-L106 CarbonylContact O-C 3.56Å; T102-L106 VanDerWaalsContact O-CA 3.31Å; T102-L106 WeakPolarHBondContact O-CA 3.44Å; T102-L106 WeakPolarHBondContact O-CB 3.5Å; T102-L106 PolarHBondContact O-N 2.83Å; L106-Y112 HydrophobicContact CB-CD2 3.78Å; L106-Y112 HydrophobicContact CB-CE2 4.19Å; L106-Y112 HydrophobicContact CB-CG 4.49Å; L106-Y112 HydrophobicContact CD2-CD2 4.47Å; L106-Y112 HydrophobicContact CD2-CE2 4.47Å; L106-Y112 WeakPolarHBondContact O-CD2 3.31Å; L106-F114 HydrophobicContact CD1-CD1 3.58Å; L106-F114 HydrophobicContact CD1-CE1 4.2Å; L106-F114 HydrophobicContact CD1-CG 4.45Å; L106-S115 PolarHBondContact O-OG 2.85Å
107V91.9Very high93.9Very high18 Ų1852.5 Ų52.511%0.10925%0.254CS..  trans-117.9132.8171.6-171.50000108.3P216 I251 I252V107-P216 HydrophobicContact CG2-CB 4.38Å; V107-I251 HydrophobicContact CB-CG2 4.13Å; V107-I251 HydrophobicContact CG1-CG2 4.23Å; V107-I252 HydrophobicContact CG1-CG2 3.26Å
108A93.9Very high94Very high25 Ų2550.9 Ų50.921%0.20725%0.246CC..  trans-151.4-175.1-17800000109.6E110 Y112A108-E110 PolarHBondContact O-N 3.22Å; A108-Y112 HydrophobicContact CB-CE2 3.64Å
109E95.6Very high94.1Very high83 Ų8350.5 Ų50.539%0.38824%0.242SC..SBendtrans-55.3-38.1175.6-176.9174.3-171.500112.7G219 K220 P254E109-G219 WeakPolarHBondContact O-CA 2.9Å; E109-K220 HydrophobicContact CG-CB 3.99Å; E109-K220 HydrophobicContact CG-CD 3.88Å; E109-K220 PolarHBondContact O-N 3.18Å; E109-K220 WeakPolarHBondContact OE1-CD 3.44Å; E109-K220 WeakPolarHBondContact OE1-CE 3.44Å; E109-K220 IonicContact OE1-NZ 3.5Å; E109-K220 PolarHBondContact OE1-NZ 3.49Å; E109-P254 HydrophobicContact CB-CB 4.21Å; E109-P254 HydrophobicContact CG-CB 3.91Å
110E96.9Very high94.3Very high70 Ų7052 Ų5233%0.32725%0.251SS..SBendtrans-124.8149.8172.6-70-63.2169.600111.4A108 Y112 K220 T221A108-E110 PolarHBondContact O-N 3.22Å; E110-Y112 PolarHBondContact O-N 2.93Å; E110-K220 WeakPolarHBondContact OE1-CB 3.3Å; E110-K220 PolarHBondContact OE1-N 3.26Å; E110-T221 WeakPolarHBondContact OE1-CA 3.4Å; E110-T221 WeakPolarHBondContact OE1-CB 3.43Å; E110-T221 PolarHBondContact OE1-N 3.35Å; E110-T221 PolarHBondContact OE1-OG1 3.15Å
111P96.7Very high94.7Very high30 Ų3050.1 Ų50.120%0.19525%0.245CC..  trans-58.9132.3177-27.938.3000112.8L116 P216 T217P111-L116 HydrophobicContact CB-CD1 4.09Å; P111-L116 HydrophobicContact CB-CD2 4.07Å; P111-L116 HydrophobicContact CB-CG 3.89Å; P111-P216 WeakPolarHBondContact CB-O 3.34Å; P111-T217 WeakPolarHBondContact CG-O 3.41Å
112Y97.1Very high95Very high110 Ų11046.9 Ų46.943%0.43123%0.231SC..  trans-64.8140.9166.8-65.8-86000110.1L106 A108 E110 F114 S115 L116L106-Y112 HydrophobicContact CB-CD2 3.78Å; L106-Y112 HydrophobicContact CB-CE2 4.19Å; L106-Y112 HydrophobicContact CB-CG 4.49Å; L106-Y112 HydrophobicContact CD2-CD2 4.47Å; L106-Y112 HydrophobicContact CD2-CE2 4.47Å; L106-Y112 WeakPolarHBondContact O-CD2 3.31Å; A108-Y112 HydrophobicContact CB-CE2 3.64Å; E110-Y112 PolarHBondContact O-N 2.93Å; Y112-F114 PolarHBondContact O-N 2.92Å; Y112-F114 VanDerWaalsContact O-N 3.16Å; Y112-S115 WeakPolarHBondContact O-CB 3.5Å; Y112-S115 PolarHBondContact O-N 3.48Å; Y112-L116 PolarHBondContact O-N 3.28Å; Y112-L116 VanDerWaalsContact O-N 3.08Å
113F96.8Very high95.3Very high174 Ų17446.8 Ų46.876%0.76323%0.23SC*.Hα-helixtrans-54.1-37.3173.2179.1-97.2000111.8L116 A117F113-L116 PolarHBondContact O-N 3.47Å; F113-A117 WeakPolarHBondContact O-CB 3.42Å; F113-A117 PolarHBondContact O-N 3.42Å
114F97.6Very high95.9Very high94 Ų9446 Ų4641%0.41223%0.227SC..Hα-helixtrans-61.2-44.4175.7-175.2-92.8000112.4L95 S98 T102 L106 Y112 A117 A118L95-F114 HydrophobicContact CD2-CD2 4.2Å; L95-F114 HydrophobicContact CD2-CE2 3.58Å; L95-F114 HydrophobicContact CD2-CZ 4.03Å; S98-F114 WeakPolarHBondContact OG-CZ 3.48Å; T102-F114 HydrophobicContact CG2-CD1 3.8Å; T102-F114 HydrophobicContact CG2-CE1 3.75Å; L106-F114 HydrophobicContact CD1-CD1 3.58Å; L106-F114 HydrophobicContact CD1-CE1 4.2Å; L106-F114 HydrophobicContact CD1-CG 4.45Å; Y112-F114 PolarHBondContact O-N 2.92Å; Y112-F114 VanDerWaalsContact O-N 3.16Å; F114-A117 PolarHBondContact O-N 3.12Å; F114-A118 HydrophobicContact CE1-CB 4.45Å; F114-A118 VanDerWaalsContact O-CB 3.25Å; F114-A118 WeakPolarHBondContact O-CB 3.29Å; F114-A118 PolarHBondContact O-N 3.45Å
115S97.2Very high96.4Very high0 Ų046 Ų460%023%0.226CC..Hα-helixtrans-61.9-45.8176.7-550000111.1T102 L106 Y112 A117 A118 Y119 P216T102-S115 WeakPolarHBondContact CB-OG 3.04Å; L106-S115 PolarHBondContact O-OG 2.85Å; Y112-S115 WeakPolarHBondContact O-CB 3.5Å; Y112-S115 PolarHBondContact O-N 3.48Å; S115-A117 PolarHBondContact O-N 3.08Å; S115-A118 PolarHBondContact O-N 2.87Å; S115-Y119 WeakPolarHBondContact O-CD2 3.31Å; S115-Y119 PolarHBondContact O-N 3.04Å; S115-P216 WeakPolarHBondContact CB-O 3.48Å
116L97.4Very high96.8Very high55 Ų5541.5 Ų41.529%0.28821%0.208SC..Hα-helixtrans-59.3-45.3175.6-69.3171.9000112P111 Y112 F113 T120 T217P111-L116 HydrophobicContact CB-CD1 4.09Å; P111-L116 HydrophobicContact CB-CD2 4.07Å; P111-L116 HydrophobicContact CB-CG 3.89Å; Y112-L116 PolarHBondContact O-N 3.28Å; Y112-L116 VanDerWaalsContact O-N 3.08Å; F113-L116 PolarHBondContact O-N 3.47Å; L116-T120 WeakPolarHBondContact O-CB 3.47Å; L116-T120 PolarHBondContact O-N 3.29Å; L116-T120 PolarHBondContact O-OG1 3.45Å; L116-T217 HydrophobicContact CD2-CG2 4.12Å
117A98.1Very high97.1Very high25 Ų2539 Ų3921%0.20719%0.194CC..Hα-helixtrans-65-44.9177.700000111.8F113 F114 S115 T120 C121F113-A117 WeakPolarHBondContact O-CB 3.42Å; F113-A117 PolarHBondContact O-N 3.42Å; F114-A117 PolarHBondContact O-N 3.12Å; S115-A117 PolarHBondContact O-N 3.08Å; A117-T120 WeakPolarHBondContact O-CB 3.33Å; A117-T120 PolarHBondContact O-N 3.21Å; A117-C121 PolarHBondContact O-N 3.49Å; A117-C121 PolarHBondContact O-SG 3.48Å; A117-C121 VanDerWaalsContact O-SG 3.34Å
118A98.1Very high97.4Very high0 Ų038.6 Ų38.60%019%0.191CC..Hα-helixtrans-61.3-48.8179.900000112L95 S98 T102 F114 S115 C121 L122L95-A118 WeakPolarHBondContact O-CA 3.28Å; L95-A118 WeakPolarHBondContact O-CB 3.11Å; S98-A118 WeakPolarHBondContact OG-CB 3.3Å; T102-A118 HydrophobicContact CG2-CB 4.17Å; F114-A118 HydrophobicContact CE1-CB 4.45Å; F114-A118 VanDerWaalsContact O-CB 3.25Å; F114-A118 WeakPolarHBondContact O-CB 3.29Å; F114-A118 PolarHBondContact O-N 3.45Å; S115-A118 PolarHBondContact O-N 2.87Å; A118-C121 WeakPolarHBondContact O-CB 3.46Å; A118-C121 PolarHBondContact O-N 2.71Å; A118-L122 PolarHBondContact O-N 3.01Å
119Y98Very high97.5Very high13 Ų1339.5 Ų39.55%0.05119%0.192CC..Hα-helixtrans-69.9-31.1176.7-84.3-76.7000113.2S99 T102 S115 C121 L122 G123 P216 T217 G418 I419S99-Y119 WeakPolarHBondContact O-CE2 3.31Å; S99-Y119 PolarHBondContact O-OH 2.88Å; T102-Y119 WeakPolarHBondContact OG1-CE2 3.48Å; S115-Y119 WeakPolarHBondContact O-CD2 3.31Å; S115-Y119 PolarHBondContact O-N 3.04Å; Y119-C121 VanDerWaalsContact C-N 3.35Å; Y119-L122 HydrophobicContact CD1-CD2 3.98Å; Y119-L122 HydrophobicContact CE1-CD2 4.22Å; Y119-L122 WeakPolarHBondContact O-CB 3.37Å; Y119-L122 PolarHBondContact O-N 3.03Å; Y119-G123 PolarHBondContact O-N 2.89Å; Y119-P216 HydrophobicContact CE2-CB 3.81Å; Y119-P216 HydrophobicContact CE2-CG 3.64Å; Y119-T217 HydrophobicContact CD2-CG2 3.49Å; Y119-T217 VanDerWaalsContact CD2-CG2 3.49Å; Y119-T217 HydrophobicContact CE2-CG2 4.2Å; Y119-T217 HydrophobicContact CG-CG2 3.89Å; Y119-G418 WeakPolarHBondContact CB-O 3.33Å; Y119-G418 WeakPolarHBondContact CD1-O 3.23Å; Y119-G418 VanDerWaalsContact CG-O 3.23Å; Y119-I419 HydrophobicContact CD1-CG1 4.42Å
120T98.3Very high97.5Very high30 Ų3038.5 Ų38.518%0.18419%0.187CC..Hα-helixtrans-61.8-45.2169.5-64.80000110.7L116 A117 L122 G123 A124 T174 L178 P420 M421L116-T120 WeakPolarHBondContact O-CB 3.47Å; L116-T120 PolarHBondContact O-N 3.29Å; L116-T120 PolarHBondContact O-OG1 3.45Å; A117-T120 WeakPolarHBondContact O-CB 3.33Å; A117-T120 PolarHBondContact O-N 3.21Å; T120-L122 VanDerWaalsContact C-N 3.3Å; T120-L122 PolarHBondContact O-N 3.1Å; T120-G123 PolarHBondContact O-N 2.9Å; T120-A124 WeakPolarHBondContact O-CB 3.41Å; T120-A124 PolarHBondContact O-N 3.34Å; T120-T174 HydrophobicContact CG2-CG2 4.24Å; T120-L178 HydrophobicContact CG2-CD1 3.9Å; T120-L178 HydrophobicContact CG2-CD2 4.01Å; T120-L178 HydrophobicContact CG2-CG 4.44Å; T120-P420 WeakPolarHBondContact OG1-CG 3.46Å; T120-M421 HydrophobicContact CG2-CE 3.73Å; T120-M421 WeakPolarHBondContact O-CE 3.29Å
121C98.4Very high97.5Very high20 Ų2036.6 Ų36.614%0.13518%0.177CC..Hα-helixtrans-63.6-35174.5-69.70000112.2F92 L95 A96 A117 A118 Y119 Y125F92-C121 HydrophobicContact CD2-CB 3.97Å; F92-C121 HydrophobicContact CE2-CB 4.05Å; F92-C121 WeakPolarHBondContact CE2-O 3.42Å; L95-C121 HydrophobicContact CB-CB 3.86Å; A96-C121 HydrophobicContact CB-CB 4.05Å; A117-C121 PolarHBondContact O-N 3.49Å; A117-C121 PolarHBondContact O-SG 3.48Å; A117-C121 VanDerWaalsContact O-SG 3.34Å; A118-C121 WeakPolarHBondContact O-CB 3.46Å; A118-C121 PolarHBondContact O-N 2.71Å; Y119-C121 VanDerWaalsContact C-N 3.35Å; C121-Y125 WeakPolarHBondContact O-CB 3.4Å; C121-Y125 PolarHBondContact O-N 3.09Å
122L98Very high97.4Very high11 Ų1135.7 Ų35.76%0.05817%0.171CC..Hα-helixtrans-61.7-47.3173.2178.564.6000112M56 F100 A118 Y119 T120 Y125 I126 I419M56-L122 HydrophobicContact CE-CD1 3.53Å; M56-L122 HydrophobicContact SD-CD1 3.8Å; F100-L122 HydrophobicContact CE2-CD1 4.06Å; F100-L122 HydrophobicContact CE2-CD2 3.87Å; F100-L122 HydrophobicContact CZ-CD2 3.99Å; A118-L122 PolarHBondContact O-N 3.01Å; Y119-L122 HydrophobicContact CD1-CD2 3.98Å; Y119-L122 HydrophobicContact CE1-CD2 4.22Å; Y119-L122 WeakPolarHBondContact O-CB 3.37Å; Y119-L122 PolarHBondContact O-N 3.03Å; T120-L122 VanDerWaalsContact C-N 3.3Å; T120-L122 PolarHBondContact O-N 3.1Å; L122-Y125 WeakPolarHBondContact O-CB 3.49Å; L122-Y125 PolarHBondContact O-N 3.28Å; L122-I126 HydrophobicContact CG-CD1 4.42Å; L122-I126 WeakPolarHBondContact O-CG1 3.25Å; L122-I126 PolarHBondContact O-N 2.67Å; L122-I126 VanDerWaalsContact O-N 3.09Å; L122-I419 HydrophobicContact CD2-CD1 4.21Å; L122-I419 HydrophobicContact CD2-CG1 3.98Å; L122-I419 HydrophobicContact CG-CD1 4.24Å; L122-I419 HydrophobicContact CG-CG1 4.23Å
123G97.6Very high97.3Very high0 Ų037 Ų370%018%0.179CC..Hα-helixtrans-59.6-49.9175.600000112.3Y119 T120 Y125 I126 I127 M382Y119-G123 PolarHBondContact O-N 2.89Å; T120-G123 PolarHBondContact O-N 2.9Å; G123-Y125 VanDerWaalsContact C-N 3.26Å; G123-Y125 PolarHBondContact O-N 2.81Å; G123-I126 PolarHBondContact O-N 3.48Å; G123-I127 WeakPolarHBondContact O-CG1 3.5Å; G123-I127 PolarHBondContact O-N 3.21Å; G123-I127 VanDerWaalsContact O-N 3.14Å; G123-M382 WeakPolarHBondContact O-CE 3.48Å
124A98.3Very high97.1Very high9 Ų930.9 Ų30.97%0.07416%0.156CC..Hα-helixtrans-60.4-35.6176.300000112.6F92 T120 I127 L128 T170 T174F92-A124 HydrophobicContact CE2-CB 3.86Å; F92-A124 HydrophobicContact CZ-CB 4.31Å; T120-A124 WeakPolarHBondContact O-CB 3.41Å; T120-A124 PolarHBondContact O-N 3.34Å; A124-I127 PolarHBondContact O-N 2.97Å; A124-L128 VanDerWaalsContact O-CB 3.29Å; A124-L128 WeakPolarHBondContact O-CB 3.32Å; A124-L128 PolarHBondContact O-N 3.01Å; A124-T170 HydrophobicContact CB-CG2 4.03Å; A124-T170 WeakPolarHBondContact O-CG2 3.44Å; A124-T174 HydrophobicContact CB-CG2 4.32Å; A124-T174 WeakPolarHBondContact CB-OG1 3.31Å
125Y98.2Very high96.9Very high12 Ų1228.2 Ų28.25%0.04715%0.146CC..Hα-helixtrans-62.8-44175.9167.2-87.2000112.3M56 G59 S60 V63 F92 L93 A96 C121 L122 G123 L128 I129M56-Y125 VanDerWaalsContact C-OH 3.32Å; M56-Y125 VanDerWaalsContact CA-OH 3.26Å; M56-Y125 WeakPolarHBondContact CA-OH 3.09Å; M56-Y125 HydrophobicContact CB-CE1 4.4Å; M56-Y125 HydrophobicContact CE-CD1 4.1Å; M56-Y125 HydrophobicContact CE-CE1 4.05Å; M56-Y125 HydrophobicContact CE-CG 4.48Å; M56-Y125 HydrophobicContact CG-CE1 4.07Å; M56-Y125 PolarHBondContact O-OH 3.34Å; G59-Y125 VanDerWaalsContact CA-OH 3.27Å; G59-Y125 WeakPolarHBondContact CA-OH 3.46Å; S60-Y125 PolarHBondContact N-OH 3.07Å; S60-Y125 WeakPolarHBondContact OG-CE2 3.35Å; V63-Y125 HydrophobicContact CG2-CE2 4.48Å; F92-Y125 HydrophobicContact CE1-CD2 4.49Å; L93-Y125 HydrophobicContact CD2-CD2 3.91Å; L93-Y125 HydrophobicContact CD2-CE2 4.07Å; A96-Y125 HydrophobicContact CB-CG 4.37Å; C121-Y125 WeakPolarHBondContact O-CB 3.4Å; C121-Y125 PolarHBondContact O-N 3.09Å; L122-Y125 WeakPolarHBondContact O-CB 3.49Å; L122-Y125 PolarHBondContact O-N 3.28Å; G123-Y125 VanDerWaalsContact C-N 3.26Å; G123-Y125 PolarHBondContact O-N 2.81Å; Y125-L128 PolarHBondContact O-N 3.49Å; Y125-I129 HydrophobicContact CD1-CD1 4.16Å; Y125-I129 HydrophobicContact CD2-CD1 4.27Å; Y125-I129 HydrophobicContact CE1-CD1 3.44Å; Y125-I129 VanDerWaalsContact CE1-CD1 3.44Å; Y125-I129 HydrophobicContact CE2-CD1 3.6Å; Y125-I129 HydrophobicContact CE2-CG1 4.39Å; Y125-I129 PolarHBondContact O-N 2.88Å; Y125-I129 WeakPolarHBondContact OH-CD1 3.34Å
126I97.3Very high96.6Very high39 Ų3929.8 Ų29.820%0.216%0.162CC..Hα-helixtrans-62.1-46.7177-67.2167000110.3L122 G123 L128 I129 F130 M382 L385 I419L122-I126 HydrophobicContact CG-CD1 4.42Å; L122-I126 WeakPolarHBondContact O-CG1 3.25Å; L122-I126 PolarHBondContact O-N 2.67Å; L122-I126 VanDerWaalsContact O-N 3.09Å; G123-I126 PolarHBondContact O-N 3.48Å; I126-L128 PolarHBondContact O-N 3.47Å; I126-I129 PolarHBondContact O-N 2.83Å; I126-F130 PolarHBondContact O-N 2.9Å; I126-F130 VanDerWaalsContact O-N 3.08Å; I126-M382 HydrophobicContact CB-CE 4.39Å; I126-M382 HydrophobicContact CG2-CE 4.39Å; I126-L385 HydrophobicContact CD1-CD1 4.35Å; I126-L385 HydrophobicContact CG2-CD2 4.09Å; I126-L385 HydrophobicContact CG2-CG 4.36Å; I126-I419 HydrophobicContact CD1-CD1 3.75Å
127I97.6Very high96.2Very high0 Ų029.6 Ų29.60%017%0.166CC..Hα-helixtrans-60.7-46177.7-63.5167.7000110.5G123 A124 I129 F130 F131 T170 L173 M382 M421 L423G123-I127 WeakPolarHBondContact O-CG1 3.5Å; G123-I127 PolarHBondContact O-N 3.21Å; G123-I127 VanDerWaalsContact O-N 3.14Å; A124-I127 PolarHBondContact O-N 2.97Å; I127-I129 PolarHBondContact O-N 2.97Å; I127-F130 WeakPolarHBondContact O-CB 3.22Å; I127-F130 PolarHBondContact O-N 3.22Å; I127-F131 HydrophobicContact CG2-CD2 3.67Å; I127-F131 HydrophobicContact CG2-CE2 3.63Å; I127-F131 VanDerWaalsContact O-CD2 3.28Å; I127-F131 WeakPolarHBondContact O-CD2 3.34Å; I127-F131 PolarHBondContact O-N 3.14Å; I127-T170 HydrophobicContact CB-CG2 4.21Å; I127-T170 HydrophobicContact CG2-CG2 4.16Å; I127-L173 HydrophobicContact CD1-CB 4.26Å; I127-L173 HydrophobicContact CG2-CB 4.4Å; I127-L173 HydrophobicContact CG2-CD1 4.16Å; I127-M382 HydrophobicContact CD1-CE 3.74Å; I127-M382 HydrophobicContact CG1-CE 3.49Å; I127-M382 VanDerWaalsContact CG1-CE 3.49Å; I127-M421 HydrophobicContact CD1-SD 4.4Å; I127-L423 HydrophobicContact CD1-CD1 3.71Å
128L97.6Very high95.8Very high10 Ų1032.8 Ų32.85%0.05218%0.182CC..Hα-helixtrans-61.5-47.1-178.8-178.358.9000112.1V63 F92 A124 Y125 I126 F130 F131 L132 A166 V167 T170V63-L128 HydrophobicContact CG1-CD2 3.7Å; V63-L128 HydrophobicContact CG2-CD2 4.12Å; V63-L128 HydrophobicContact CG2-CG 4.37Å; F92-L128 HydrophobicContact CE1-CD2 4.01Å; F92-L128 HydrophobicContact CZ-CD2 4.41Å; A124-L128 VanDerWaalsContact O-CB 3.29Å; A124-L128 WeakPolarHBondContact O-CB 3.32Å; A124-L128 PolarHBondContact O-N 3.01Å; Y125-L128 PolarHBondContact O-N 3.49Å; I126-L128 PolarHBondContact O-N 3.47Å; L128-F130 VanDerWaalsContact C-N 3.3Å; L128-F130 PolarHBondContact O-N 3.26Å; L128-F131 PolarHBondContact O-N 3.17Å; L128-L132 HydrophobicContact CD1-CD1 4.06Å; L128-L132 HydrophobicContact CD1-CG 4.06Å; L128-L132 HydrophobicContact CG-CD1 3.9Å; L128-L132 HydrophobicContact CG-CG 4.33Å; L128-L132 WeakPolarHBondContact O-CB 3.36Å; L128-L132 VanDerWaalsContact O-CG 3.25Å; L128-L132 WeakPolarHBondContact O-CG 3.47Å; L128-L132 PolarHBondContact O-N 3.44Å; L128-A166 HydrophobicContact CD1-CB 4.16Å; L128-V167 HydrophobicContact CD1-CG2 3.98Å; L128-T170 VanDerWaalsContact CA-OG1 3.24Å; L128-T170 WeakPolarHBondContact CA-OG1 3.3Å; L128-T170 HydrophobicContact CB-CG2 4.01Å; L128-T170 PolarHBondContact N-OG1 3.46Å
129I96.9Very high95.3Very high44 Ų4434.3 Ų34.323%0.22619%0.19CC..Hα-helixtrans-60.2-44177.3-76.7-177.8000110.9G59 V63 Y125 I126 I127 F131 L132 F133G59-I129 VanDerWaalsContact CA-CD1 3.47Å; V63-I129 HydrophobicContact CG2-CD1 4.33Å; V63-I129 HydrophobicContact CG2-CG1 3.72Å; Y125-I129 HydrophobicContact CD1-CD1 4.16Å; Y125-I129 HydrophobicContact CD2-CD1 4.27Å; Y125-I129 HydrophobicContact CE1-CD1 3.44Å; Y125-I129 VanDerWaalsContact CE1-CD1 3.44Å; Y125-I129 HydrophobicContact CE2-CD1 3.6Å; Y125-I129 HydrophobicContact CE2-CG1 4.39Å; Y125-I129 PolarHBondContact O-N 2.88Å; Y125-I129 WeakPolarHBondContact OH-CD1 3.34Å; I126-I129 PolarHBondContact O-N 2.83Å; I127-I129 PolarHBondContact O-N 2.97Å; I129-F131 PolarHBondContact O-N 3.01Å; I129-L132 PolarHBondContact O-N 3.14Å; I129-F133 VanDerWaalsContact O-CB 3.29Å; I129-F133 WeakPolarHBondContact O-CB 3.47Å; I129-F133 PolarHBondContact O-N 3Å
130F96.1Very high94.7Very high62 Ų6239.4 Ų39.427%0.27221%0.214SC..Hα-helixtrans-58.2-47.7178.6175.3-92.8000112.1I126 I127 L128 F133 T134 F383 P384I126-F130 PolarHBondContact O-N 2.9Å; I126-F130 VanDerWaalsContact O-N 3.08Å; I127-F130 WeakPolarHBondContact O-CB 3.22Å; I127-F130 PolarHBondContact O-N 3.22Å; L128-F130 VanDerWaalsContact C-N 3.3Å; L128-F130 PolarHBondContact O-N 3.26Å; F130-F133 PolarHBondContact O-N 3.02Å; F130-T134 WeakPolarHBondContact CZ-OG1 3.26Å; F130-T134 VanDerWaalsContact O-CB 3.25Å; F130-T134 WeakPolarHBondContact O-CB 3.34Å; F130-T134 PolarHBondContact O-N 2.94Å; F130-T134 PolarHBondContact O-OG1 3.41Å; F130-F383 AromaticContact CD1-CE1 3.57Å; F130-F383 HydrophobicContact CD1-CE1 3.57Å; F130-F383 HydrophobicContact CD1-CZ 4.04Å; F130-F383 AromaticContact CE1-CE1 3.28Å; F130-F383 HydrophobicContact CE1-CE1 3.28Å; F130-F383 AromaticContact CE1-CZ 3.29Å; F130-F383 HydrophobicContact CE1-CZ 3.29Å; F130-F383 HydrophobicContact CE2-CZ 4.29Å; F130-F383 HydrophobicContact CG-CE1 4.41Å; F130-F383 AromaticContact CZ-CE1 3.88Å; F130-F383 HydrophobicContact CZ-CE1 3.88Å; F130-F383 HydrophobicContact CZ-CE2 4.43Å; F130-F383 AromaticContact CZ-CZ 3.44Å; F130-F383 HydrophobicContact CZ-CZ 3.44Å; F130-F383 VanDerWaalsContact CZ-CZ 3.44Å; F130-P384 HydrophobicContact CB-CG 3.86Å; F130-P384 HydrophobicContact CD1-CB 4.49Å; F130-P384 HydrophobicContact CD2-CB 3.59Å; F130-P384 HydrophobicContact CD2-CG 3.54Å; F130-P384 HydrophobicContact CE2-CB 3.77Å; F130-P384 HydrophobicContact CE2-CG 4.25Å; F130-P384 HydrophobicContact CG-CB 3.97Å; F130-P384 HydrophobicContact CG-CG 3.7Å; F130-P384 HydrophobicContact CZ-CB 4.33Å
131F96.6Very high94.2Very high30 Ų3040.3 Ų40.313%0.13222%0.224CC..Hα-helixtrans-70.5-39.1179.8-79.2-67.9000112.8I127 L128 I129 F133 T134 L135 A166 L169 L173 F383I127-F131 HydrophobicContact CG2-CD2 3.67Å; I127-F131 HydrophobicContact CG2-CE2 3.63Å; I127-F131 VanDerWaalsContact O-CD2 3.28Å; I127-F131 WeakPolarHBondContact O-CD2 3.34Å; I127-F131 PolarHBondContact O-N 3.14Å; L128-F131 PolarHBondContact O-N 3.17Å; I129-F131 PolarHBondContact O-N 3.01Å; F131-F133 VanDerWaalsContact C-N 3.33Å; F131-F133 PolarHBondContact O-N 3.37Å; F131-T134 PolarHBondContact O-N 3Å; F131-L135 VanDerWaalsContact O-CB 3.25Å; F131-L135 WeakPolarHBondContact O-CB 3.49Å; F131-L135 VanDerWaalsContact O-CG 3.23Å; F131-L135 WeakPolarHBondContact O-CG 3.13Å; F131-L135 PolarHBondContact O-N 3.18Å; F131-A166 HydrophobicContact CB-CB 3.84Å; F131-L169 HydrophobicContact CD1-CD1 3.68Å; F131-L169 HydrophobicContact CD2-CB 4.18Å; F131-L169 HydrophobicContact CE1-CB 4.5Å; F131-L169 HydrophobicContact CE1-CD1 3.73Å; F131-L169 HydrophobicContact CE2-CB 4.19Å; F131-L169 HydrophobicContact CG-CB 4.37Å; F131-L169 HydrophobicContact CG-CD1 4.24Å; F131-L169 HydrophobicContact CZ-CB 4.34Å; F131-L169 HydrophobicContact CZ-CD1 4.33Å; F131-L173 HydrophobicContact CE2-CD1 3.42Å; F131-L173 VanDerWaalsContact CE2-CD1 3.42Å; F131-L173 HydrophobicContact CZ-CD1 3.67Å; F131-F383 HydrophobicContact CE2-CE1 4.5Å; F131-F383 HydrophobicContact CZ-CE1 4.18Å
132L94.9Very high93.6Very high11 Ų1146.1 Ų46.16%0.05824%0.244CC..Hα-helixtrans-59.9-45.2174.5-72.6175.5000111.2V63 T67 L128 I129 G136 A166V63-L132 HydrophobicContact CG2-CD1 4.02Å; T67-L132 HydrophobicContact CG2-CD1 4.42Å; L128-L132 HydrophobicContact CD1-CD1 4.06Å; L128-L132 HydrophobicContact CD1-CG 4.06Å; L128-L132 HydrophobicContact CG-CD1 3.9Å; L128-L132 HydrophobicContact CG-CG 4.33Å; L128-L132 WeakPolarHBondContact O-CB 3.36Å; L128-L132 VanDerWaalsContact O-CG 3.25Å; L128-L132 WeakPolarHBondContact O-CG 3.47Å; L128-L132 PolarHBondContact O-N 3.44Å; I129-L132 PolarHBondContact O-N 3.14Å; L132-G136 PolarHBondContact O-N 3.42Å; L132-A166 HydrophobicContact CD2-CB 3.7Å; L132-A166 HydrophobicContact CG-CB 4.04Å
133F93.9Very high93Very high137 Ų13750.6 Ų50.660%0.60126%0.263SS*.Hα-helixtrans-66.2-47.2178.1-175.8-97.1000112.1I129 F130 F131 G136 S137I129-F133 VanDerWaalsContact O-CB 3.29Å; I129-F133 WeakPolarHBondContact O-CB 3.47Å; I129-F133 PolarHBondContact O-N 3Å; F130-F133 PolarHBondContact O-N 3.02Å; F131-F133 VanDerWaalsContact C-N 3.33Å; F131-F133 PolarHBondContact O-N 3.37Å; F133-G136 PolarHBondContact O-N 2.87Å; F133-S137 WeakPolarHBondContact O-CB 3.42Å; F133-S137 PolarHBondContact O-N 3.46Å; F133-S137 PolarHBondContact O-OG 3.39Å
134T94Very high92.3Very high47 Ų4758.7 Ų58.729%0.28830%0.299SS..Hα-helixtrans-64.3-50.1-178-59.50000111.5F130 F131 G136 S137 V138F130-T134 WeakPolarHBondContact CZ-OG1 3.26Å; F130-T134 VanDerWaalsContact O-CB 3.25Å; F130-T134 WeakPolarHBondContact O-CB 3.34Å; F130-T134 PolarHBondContact O-N 2.94Å; F130-T134 PolarHBondContact O-OG1 3.41Å; F131-T134 PolarHBondContact O-N 3Å; T134-G136 VanDerWaalsContact C-N 3.3Å; T134-G136 PolarHBondContact O-N 3.26Å; T134-S137 PolarHBondContact O-N 3.12Å; T134-V138 WeakPolarHBondContact O-CG2 3.5Å; T134-V138 PolarHBondContact O-N 3.41Å
135L92.8Very high91.7Very high38 Ų3865 Ų6520%0.19933%0.331CS..Hα-helixtrans-65.8-33.7179.1-66.4173.3000112.2F131 E139 K162 L165 A166F131-L135 VanDerWaalsContact O-CB 3.25Å; F131-L135 WeakPolarHBondContact O-CB 3.49Å; F131-L135 VanDerWaalsContact O-CG 3.23Å; F131-L135 WeakPolarHBondContact O-CG 3.13Å; F131-L135 PolarHBondContact O-N 3.18Å; L135-E139 PolarHBondContact O-N 3.1Å; L135-E139 VanDerWaalsContact O-N 3.15Å; L135-K162 HydrophobicContact CB-CB 4.44Å; L135-L165 HydrophobicContact CD1-CB 4.39Å; L135-L165 HydrophobicContact CD1-CD2 4.14Å; L135-L165 HydrophobicContact CD1-CG 4.25Å; L135-L165 HydrophobicContact CD2-CD2 4.31Å; L135-A166 HydrophobicContact CD1-CB 4.12Å
136G90.5Very high90.9Very high33 Ų3366.5 Ų66.534%0.3435%0.345SS..Hα-helixtrans-65.3-43.1172.200000112.4L132 F133 T134 E139 Q140L132-G136 PolarHBondContact O-N 3.42Å; F133-G136 PolarHBondContact O-N 2.87Å; T134-G136 VanDerWaalsContact C-N 3.3Å; T134-G136 PolarHBondContact O-N 3.26Å; G136-E139 WeakPolarHBondContact O-CB 3.2Å; G136-E139 PolarHBondContact O-N 2.69Å; G136-Q140 PolarHBondContact O-N 3.22Å
137S90Very high89.5Confident51 Ų5166.5 Ų66.536%0.35736%0.355SS..Hα-helixtrans-68-43.2179.7-58.90000112F133 T134 E139 Q140 A141F133-S137 WeakPolarHBondContact O-CB 3.42Å; F133-S137 PolarHBondContact O-N 3.46Å; F133-S137 PolarHBondContact O-OG 3.39Å; T134-S137 PolarHBondContact O-N 3.12Å; S137-E139 VanDerWaalsContact C-N 3.29Å; S137-E139 PolarHBondContact O-N 2.92Å; S137-Q140 PolarHBondContact O-N 3.09Å; S137-A141 WeakPolarHBondContact O-CB 3.25Å; S137-A141 PolarHBondContact O-N 3.33Å
138V89.6Confident87.7Confident92 Ų9279.2 Ų79.256%0.55840%0.403SS*.Hα-helixtrans-59.6-40.3174170.60000111.2T134 Y142T134-V138 WeakPolarHBondContact O-CG2 3.5Å; T134-V138 PolarHBondContact O-N 3.41Å; V138-Y142 WeakPolarHBondContact O-CB 3.35Å; V138-Y142 PolarHBondContact O-N 3.19Å
139E86.6Confident85.6Confident32 Ų3282 Ų8215%0.1543%0.434CS..Hα-helixtrans-62.4-45.5174.8-169.6-177.2-1400112.6L135 G136 S137 A141 Y142 K143 K162L135-E139 PolarHBondContact O-N 3.1Å; L135-E139 VanDerWaalsContact O-N 3.15Å; G136-E139 WeakPolarHBondContact O-CB 3.2Å; G136-E139 PolarHBondContact O-N 2.69Å; S137-E139 VanDerWaalsContact C-N 3.29Å; S137-E139 PolarHBondContact O-N 2.92Å; E139-A141 VanDerWaalsContact C-N 3.33Å; E139-Y142 PolarHBondContact O-N 3.37Å; E139-K143 HydrophobicContact CG-CD 4.35Å; E139-K143 WeakPolarHBondContact O-CG 3.4Å; E139-K143 PolarHBondContact O-N 3.47Å; E139-K143 WeakPolarHBondContact OE2-CE 3.5Å; E139-K143 IonicContact OE2-NZ 3.37Å; E139-K143 PolarHBondContact OE2-NZ 3.18Å; E139-K162 WeakPolarHBondContact OE1-CD 3.1Å; E139-K162 WeakPolarHBondContact OE1-CE 3.46Å; E139-K162 IonicContact OE1-NZ 2.66Å; E139-K162 PolarHBondContact OE1-NZ 3.29Å; E139-K162 IonicContact OE2-NZ 3.09Å
140Q86.3Confident83.6Confident120 Ų12082.2 Ų82.256%0.56144%0.442SS*.Hα-helixtrans-65.7-41.1-177.9-170.858.438.700110.7G136 S137 K143 F144G136-Q140 PolarHBondContact O-N 3.22Å; S137-Q140 PolarHBondContact O-N 3.09Å; Q140-K143 PolarHBondContact O-N 2.98Å; Q140-F144 WeakPolarHBondContact O-CB 3.35Å; Q140-F144 PolarHBondContact O-N 2.8Å
141A87.5Confident81.5Confident49 Ų4988.4 Ų88.441%0.40547%0.469SS..Hα-helixtrans-61.8-46.317300000111.7S137 E139 K143 F144 L145S137-A141 WeakPolarHBondContact O-CB 3.25Å; S137-A141 PolarHBondContact O-N 3.33Å; E139-A141 VanDerWaalsContact C-N 3.33Å; A141-K143 PolarHBondContact O-N 3.24Å; A141-F144 WeakPolarHBondContact O-CB 3.23Å; A141-F144 PolarHBondContact O-N 3.02Å; A141-L145 WeakPolarHBondContact O-CB 3.24Å; A141-L145 WeakPolarHBondContact O-CG 3.28Å; A141-L145 PolarHBondContact O-N 2.72Å
142Y85.6Confident79.3Confident142 Ų14290.9 Ų90.956%0.55750%0.495SS*.Hα-helixtrans-59.4-43.7176.2177.2-96000112.2V138 E139 F144 L145 A146V138-Y142 WeakPolarHBondContact O-CB 3.35Å; V138-Y142 PolarHBondContact O-N 3.19Å; E139-Y142 PolarHBondContact O-N 3.37Å; Y142-F144 VanDerWaalsContact C-N 3.32Å; Y142-F144 PolarHBondContact O-N 3.26Å; Y142-L145 PolarHBondContact O-N 3.35Å; Y142-A146 HydrophobicContact CE1-CB 4.23Å; Y142-A146 WeakPolarHBondContact O-CB 3.31Å; Y142-A146 PolarHBondContact O-N 3.37Å
143K84.1Confident77.4Confident105 Ų10591.9 Ų91.946%0.45751%0.508SS..Hα-helixtrans-63.6-37.7176.3-74.8173.8-176.8164.60112.6E139 Q140 A141E139-K143 HydrophobicContact CG-CD 4.35Å; E139-K143 WeakPolarHBondContact O-CG 3.4Å; E139-K143 PolarHBondContact O-N 3.47Å; E139-K143 WeakPolarHBondContact OE2-CE 3.5Å; E139-K143 IonicContact OE2-NZ 3.37Å; E139-K143 PolarHBondContact OE2-NZ 3.18Å; Q140-K143 PolarHBondContact O-N 2.98Å; A141-K143 PolarHBondContact O-N 3.24Å
144F84.3Confident75.6Confident169 Ų16989.2 Ų89.274%0.74151%0.506SS*.Hα-helixtrans-65.9-45.2176.9-177.8-99.4000111Q140 A141 Y142Q140-F144 WeakPolarHBondContact O-CB 3.35Å; Q140-F144 PolarHBondContact O-N 2.8Å; A141-F144 WeakPolarHBondContact O-CB 3.23Å; A141-F144 PolarHBondContact O-N 3.02Å; Y142-F144 VanDerWaalsContact C-N 3.32Å; Y142-F144 PolarHBondContact O-N 3.26Å
145L85.4Confident74Confident142 Ų14294.8 Ų94.874%0.74353%0.527SS*.Hα-helixtrans-74.7-37-178.4-66.9172.9000113.9A141 Y142 G147A141-L145 WeakPolarHBondContact O-CB 3.24Å; A141-L145 WeakPolarHBondContact O-CG 3.28Å; A141-L145 PolarHBondContact O-N 2.72Å; Y142-L145 PolarHBondContact O-N 3.35Å; L145-G147 PolarHBondContact O-N 3.17Å
146A80.9Confident72.4Confident43 Ų4396.9 Ų96.936%0.35554%0.538SS..THydrogen-bonded Turntrans-74.2-4.8-178.500000114Y142 A150Y142-A146 HydrophobicContact CE1-CB 4.23Å; Y142-A146 WeakPolarHBondContact O-CB 3.31Å; Y142-A146 PolarHBondContact O-N 3.37Å; A146-A150 HydrophobicContact CB-CB 4.33Å
147G69.1Low71Confident39 Ų3998.9 Ų98.940%0.40255%0.547SS..G310 helixtrans63.6177.2-176.400000113.8L145 G149L145-G147 PolarHBondContact O-N 3.17Å; G147-G149 PolarHBondContact O-N 3.28Å
148R59.6Low69.9Low268 Ų268102.9 Ų102.9100%1.01155%0.554SS**G310 helixtrans-63.6-1.1-179.5-73.9-179169.2171.2-2.8114.6
149G53.8Low68.9Low68 Ų68100.5 Ų100.570%0.70154%0.54SS*.G310 helixtrans-92.3-5-173.700000116.2G147 K151G147-G149 PolarHBondContact O-N 3.28Å; G149-K151 PolarHBondContact O-N 3.12Å
150A54.9Low68.4Low48 Ų4899.7 Ų99.740%0.39754%0.539SS..SBendtrans-66.5109.5177.700000110.7A146 A152A146-A150 HydrophobicContact CB-CB 4.33Å; A150-A152 PolarHBondContact O-N 3.37Å
151K51.8Low68.2Low193 Ų193100 Ų10084%0.83954%0.542SS*.  trans-47.3118.6174.7-79-177.5178.5176.70109.8G149 G153G149-K151 PolarHBondContact O-N 3.12Å; K151-G153 VanDerWaalsContact C-N 3.28Å; K151-G153 PolarHBondContact O-N 3.2Å
152A50.3Low68.1Low82 Ų8299.9 Ų99.968%0.67853%0.532SS*.  trans-68.683.9177.800000109.7A150A150-A152 PolarHBondContact O-N 3.37Å
153G54.5Low68.3Low32 Ų3293.3 Ų93.333%0.3351%0.507SS..  trans-53.2148.1152.800000108.6K151 K155K151-G153 VanDerWaalsContact C-N 3.28Å; K151-G153 PolarHBondContact O-N 3.2Å; G153-K155 PolarHBondContact O-N 3.41Å
154S55.5Low68.6Low80 Ų8091.4 Ų91.456%0.55950%0.504SS*.  trans-40.7109.8-176.1172.20000110.9N156 S157S154-N156 PolarHBondContact O-N 3.22Å; S154-S157 PolarHBondContact O-N 2.86Å
155K60.3Low69Low165 Ų16587.3 Ų87.372%0.71749%0.489SS*.Hα-helixtrans-51.1-33.2-175-76178.6178174.70111.2G153 T159G153-K155 PolarHBondContact O-N 3.41Å; K155-T159 PolarHBondContact O-N 3.21Å; K155-T159 PolarHBondContact O-OG1 3.47Å; K155-T159 VanDerWaalsContact O-OG1 3.07Å
156N59.5Low69.5Low82 Ų8280.6 Ų80.644%0.43945%0.454SS..Hα-helixtrans-72.3-33.6-178.6-64.20.8000113.1R73 S154 A160R73-N156 PolarHBondContact O-ND2 3.16Å; S154-N156 PolarHBondContact O-N 3.22Å; N156-A160 WeakPolarHBondContact O-CB 3.3Å; N156-A160 PolarHBondContact O-N 3.12Å; N156-A160 VanDerWaalsContact O-N 3.07Å
157S61.5Low70.2Confident75 Ų7580.1 Ų80.152%0.52445%0.446SS..Hα-helixtrans-72.2-43.7-177.8175.50000112.4S154 M161S154-S157 PolarHBondContact O-N 2.86Å; S157-M161 PolarHBondContact O-N 3.46Å; S157-M161 VanDerWaalsContact O-N 3.12Å
158R66.8Low71.5Confident134 Ų13483.5 Ų83.551%0.50645%0.453SS..Hα-helixtrans-67.9-36.6177.1-71.6-175.6-174.4165.64.1112.4K162R158-K162 WeakPolarHBondContact O-CD 3.35Å; R158-K162 WeakPolarHBondContact O-CE 3.35Å; R158-K162 WeakPolarHBondContact O-CG 3.48Å
159T69.1Low73.3Confident43 Ų4373.6 Ų73.626%0.26442%0.42SS..Hα-helixtrans-70.3-43.8178.1-57.70000111.8M70 K155 M161 K162 S163M70-T159 HydrophobicContact CG-CG2 4.39Å; K155-T159 PolarHBondContact O-N 3.21Å; K155-T159 PolarHBondContact O-OG1 3.47Å; K155-T159 VanDerWaalsContact O-OG1 3.07Å; T159-M161 VanDerWaalsContact C-N 3.32Å; T159-M161 PolarHBondContact O-N 3.31Å; T159-K162 PolarHBondContact O-N 3.42Å; T159-S163 PolarHBondContact O-N 2.93Å; T159-S163 PolarHBondContact O-OG 3.02Å
160A75Confident75.4Confident15 Ų1570.8 Ų70.812%0.12439%0.389CS..Hα-helixtrans-60.4-40.3175.400000112.5F71 N156 K162 S163 V164F71-A160 HydrophobicContact CE1-CB 4.18Å; N156-A160 WeakPolarHBondContact O-CB 3.3Å; N156-A160 PolarHBondContact O-N 3.12Å; N156-A160 VanDerWaalsContact O-N 3.07Å; A160-K162 VanDerWaalsContact C-N 3.28Å; A160-K162 PolarHBondContact O-N 2.88Å; A160-S163 PolarHBondContact O-N 3.04Å; A160-V164 WeakPolarHBondContact O-CG2 3.46Å; A160-V164 PolarHBondContact O-N 3.33Å
161M81.8Confident77.5Confident127 Ų12772.4 Ų72.463%0.62639%0.394SS*.Hα-helixtrans-58.4-37178.1-173.362.574.100113S157 T159 V164 L165S157-M161 PolarHBondContact O-N 3.46Å; S157-M161 VanDerWaalsContact O-N 3.12Å; T159-M161 VanDerWaalsContact C-N 3.32Å; T159-M161 PolarHBondContact O-N 3.31Å; M161-V164 PolarHBondContact O-N 2.79Å; M161-L165 WeakPolarHBondContact O-CB 3.11Å; M161-L165 PolarHBondContact O-N 3.38Å
162K86.9Confident79.7Confident46 Ų4667.1 Ų67.120%0.238%0.378CS..Hα-helixtrans-68.7-41.3178.4-62.3149.4-161.4-90.30111.8L135 E139 R158 T159 A160 V164 L165 A166L135-K162 HydrophobicContact CB-CB 4.44Å; E139-K162 WeakPolarHBondContact OE1-CD 3.1Å; E139-K162 WeakPolarHBondContact OE1-CE 3.46Å; E139-K162 IonicContact OE1-NZ 2.66Å; E139-K162 PolarHBondContact OE1-NZ 3.29Å; E139-K162 IonicContact OE2-NZ 3.09Å; R158-K162 WeakPolarHBondContact O-CD 3.35Å; R158-K162 WeakPolarHBondContact O-CE 3.35Å; R158-K162 WeakPolarHBondContact O-CG 3.48Å; T159-K162 PolarHBondContact O-N 3.42Å; A160-K162 VanDerWaalsContact C-N 3.28Å; A160-K162 PolarHBondContact O-N 2.88Å; K162-V164 VanDerWaalsContact C-N 3.33Å; K162-L165 PolarHBondContact O-N 3.36Å; K162-A166 WeakPolarHBondContact O-CB 3.41Å; K162-A166 PolarHBondContact O-N 3.28Å
163S89.4Confident82Confident4 Ų465.3 Ų65.33%0.02836%0.356CS..Hα-helixtrans-65.4-40.7178.1-550000110.5S66 T159 A160 A166 V167S66-S163 WeakPolarHBondContact O-CB 3.49Å; S66-S163 PolarHBondContact O-OG 3.01Å; T159-S163 PolarHBondContact O-N 2.93Å; T159-S163 PolarHBondContact O-OG 3.02Å; A160-S163 PolarHBondContact O-N 3.04Å; S163-A166 PolarHBondContact O-N 3.13Å; S163-V167 WeakPolarHBondContact O-CB 3.46Å; S163-V167 VanDerWaalsContact O-CG2 3.26Å; S163-V167 WeakPolarHBondContact O-CG2 3Å; S163-V167 PolarHBondContact O-N 3.15Å
164V90.3Very high84Confident65 Ų6564.5 Ų64.539%0.39435%0.345SS..Hα-helixtrans-59.7-49.5171175.70000110.7F71 A160 M161 K162 A166 V167 M168F71-V164 HydrophobicContact CE1-CG2 3.83Å; F71-V164 HydrophobicContact CZ-CG2 3.65Å; A160-V164 WeakPolarHBondContact O-CG2 3.46Å; A160-V164 PolarHBondContact O-N 3.33Å; M161-V164 PolarHBondContact O-N 2.79Å; K162-V164 VanDerWaalsContact C-N 3.33Å; V164-A166 PolarHBondContact O-N 2.94Å; V164-V167 PolarHBondContact O-N 2.85Å; V164-M168 HydrophobicContact CG1-CG 4.28Å; V164-M168 WeakPolarHBondContact O-CB 3.36Å; V164-M168 WeakPolarHBondContact O-CG 3.49Å; V164-M168 PolarHBondContact O-N 3.3Å
165L93.2Very high86.1Confident83 Ų8364.2 Ų64.244%0.43534%0.34SS..Hα-helixtrans-60.6-43.9179.4-178.861.2000112.2L135 M161 K162 M168 L169L135-L165 HydrophobicContact CD1-CB 4.39Å; L135-L165 HydrophobicContact CD1-CD2 4.14Å; L135-L165 HydrophobicContact CD1-CG 4.25Å; L135-L165 HydrophobicContact CD2-CD2 4.31Å; M161-L165 WeakPolarHBondContact O-CB 3.11Å; M161-L165 PolarHBondContact O-N 3.38Å; K162-L165 PolarHBondContact O-N 3.36Å; L165-M168 PolarHBondContact O-N 3.07Å; L165-L169 HydrophobicContact CD1-CD1 4.14Å; L165-L169 HydrophobicContact CD1-CG 4.16Å; L165-L169 HydrophobicContact CG-CD1 3.99Å; L165-L169 HydrophobicContact CG-CG 4.43Å; L165-L169 WeakPolarHBondContact O-CB 3.42Å; L165-L169 VanDerWaalsContact O-CG 3.3Å; L165-L169 WeakPolarHBondContact O-CG 3.37Å; L165-L169 PolarHBondContact O-N 2.99Å
166A95.5Very high87.9Confident0 Ų059.9 Ų59.90%033%0.327CS..Hα-helixtrans-61.4-44.3177.100000111.7L128 F131 L132 L135 K162 S163 V164 T170L128-A166 HydrophobicContact CD1-CB 4.16Å; F131-A166 HydrophobicContact CB-CB 3.84Å; L132-A166 HydrophobicContact CD2-CB 3.7Å; L132-A166 HydrophobicContact CG-CB 4.04Å; L135-A166 HydrophobicContact CD1-CB 4.12Å; K162-A166 WeakPolarHBondContact O-CB 3.41Å; K162-A166 PolarHBondContact O-N 3.28Å; S163-A166 PolarHBondContact O-N 3.13Å; V164-A166 PolarHBondContact O-N 2.94Å; A166-T170 VanDerWaalsContact O-CB 3.31Å; A166-T170 WeakPolarHBondContact O-CB 3.38Å; A166-T170 PolarHBondContact O-N 3.17Å; A166-T170 PolarHBondContact O-OG1 3.03Å
167V95.5Very high89.7Confident33 Ų3356 Ų5620%0.231%0.306CS..Hα-helixtrans-63-46.2175.5169.60000110.7T67 W85 L128 S163 V164 T170 V171T67-V167 HydrophobicContact CG2-CG2 4.24Å; W85-V167 HydrophobicContact CH2-CG1 4.17Å; W85-V167 HydrophobicContact CH2-CG2 4.34Å; L128-V167 HydrophobicContact CD1-CG2 3.98Å; S163-V167 WeakPolarHBondContact O-CB 3.46Å; S163-V167 VanDerWaalsContact O-CG2 3.26Å; S163-V167 WeakPolarHBondContact O-CG2 3Å; S163-V167 PolarHBondContact O-N 3.15Å; V164-V167 PolarHBondContact O-N 2.85Å; V167-T170 WeakPolarHBondContact O-CB 3.38Å; V167-T170 PolarHBondContact O-N 2.87Å; V167-V171 HydrophobicContact CG1-CG2 4.48Å; V167-V171 WeakPolarHBondContact O-CG2 3.34Å; V167-V171 PolarHBondContact O-N 3.3Å
168M96.4Very high91.5Very high110 Ų11055 Ų5554%0.54230%0.295SS..Hα-helixtrans-60.2-48.6178.4-75-61.5-61.300112.1V164 L165 T170 V171 V172V164-M168 HydrophobicContact CG1-CG 4.28Å; V164-M168 WeakPolarHBondContact O-CB 3.36Å; V164-M168 WeakPolarHBondContact O-CG 3.49Å; V164-M168 PolarHBondContact O-N 3.3Å; L165-M168 PolarHBondContact O-N 3.07Å; M168-T170 VanDerWaalsContact C-N 3.29Å; M168-T170 PolarHBondContact O-N 3.38Å; M168-V171 PolarHBondContact O-N 2.91Å; M168-V172 WeakPolarHBondContact O-CG2 3.33Å; M168-V172 PolarHBondContact O-N 3.3Å
169L97.4Very high93Very high60 Ų6053.5 Ų53.531%0.31430%0.296SS..Hα-helixtrans-60.5-40.7176.1-71.1171.7000111.4F131 L165 V172 L173F131-L169 HydrophobicContact CD1-CD1 3.68Å; F131-L169 HydrophobicContact CD2-CB 4.18Å; F131-L169 HydrophobicContact CE1-CB 4.5Å; F131-L169 HydrophobicContact CE1-CD1 3.73Å; F131-L169 HydrophobicContact CE2-CB 4.19Å; F131-L169 HydrophobicContact CG-CB 4.37Å; F131-L169 HydrophobicContact CG-CD1 4.24Å; F131-L169 HydrophobicContact CZ-CB 4.34Å; F131-L169 HydrophobicContact CZ-CD1 4.33Å; L165-L169 HydrophobicContact CD1-CD1 4.14Å; L165-L169 HydrophobicContact CD1-CG 4.16Å; L165-L169 HydrophobicContact CG-CD1 3.99Å; L165-L169 HydrophobicContact CG-CG 4.43Å; L165-L169 WeakPolarHBondContact O-CB 3.42Å; L165-L169 VanDerWaalsContact O-CG 3.3Å; L165-L169 WeakPolarHBondContact O-CG 3.37Å; L165-L169 PolarHBondContact O-N 2.99Å; L169-V172 PolarHBondContact O-N 3.49Å; L169-L173 WeakPolarHBondContact O-CB 3.3Å; L169-L173 VanDerWaalsContact O-CG 3.3Å; L169-L173 WeakPolarHBondContact O-CG 3.45Å; L169-L173 PolarHBondContact O-N 3.48Å
170T98.1Very high94.3Very high9 Ų953.6 Ų53.66%0.05530%0.295CS..Hα-helixtrans-60.5-47.5176.4-60.10000111.7A124 I127 L128 A166 V167 M168 L173 T174A124-T170 HydrophobicContact CB-CG2 4.03Å; A124-T170 WeakPolarHBondContact O-CG2 3.44Å; I127-T170 HydrophobicContact CB-CG2 4.21Å; I127-T170 HydrophobicContact CG2-CG2 4.16Å; L128-T170 VanDerWaalsContact CA-OG1 3.24Å; L128-T170 WeakPolarHBondContact CA-OG1 3.3Å; L128-T170 HydrophobicContact CB-CG2 4.01Å; L128-T170 PolarHBondContact N-OG1 3.46Å; A166-T170 VanDerWaalsContact O-CB 3.31Å; A166-T170 WeakPolarHBondContact O-CB 3.38Å; A166-T170 PolarHBondContact O-N 3.17Å; A166-T170 PolarHBondContact O-OG1 3.03Å; V167-T170 WeakPolarHBondContact O-CB 3.38Å; V167-T170 PolarHBondContact O-N 2.87Å; M168-T170 VanDerWaalsContact C-N 3.29Å; M168-T170 PolarHBondContact O-N 3.38Å; T170-L173 PolarHBondContact O-N 2.8Å; T170-T174 WeakPolarHBondContact O-CB 3.44Å; T170-T174 PolarHBondContact O-N 2.67Å; T170-T174 PolarHBondContact O-OG1 3.18Å
171V97.9Very high95.4Very high82 Ų8253.1 Ų53.150%0.49729%0.291SS..Hα-helixtrans-62.2-48.6179.8170.70000110.5V167 M168 L173 T174 V175V167-V171 HydrophobicContact CG1-CG2 4.48Å; V167-V171 WeakPolarHBondContact O-CG2 3.34Å; V167-V171 PolarHBondContact O-N 3.3Å; M168-V171 PolarHBondContact O-N 2.91Å; V171-L173 PolarHBondContact O-N 3Å; V171-T174 PolarHBondContact O-N 3.3Å; V171-V175 WeakPolarHBondContact O-CG2 3.4Å; V171-V175 PolarHBondContact O-N 2.73Å
172V98.3Very high96Very high82 Ų8250.8 Ų50.850%0.49729%0.287SS..Hα-helixtrans-59-50.3179.5171.40000110.9M168 L169 T174 V175 V176M168-V172 WeakPolarHBondContact O-CG2 3.33Å; M168-V172 PolarHBondContact O-N 3.3Å; L169-V172 PolarHBondContact O-N 3.49Å; V172-T174 PolarHBondContact O-N 3.11Å; V172-V175 PolarHBondContact O-N 3.09Å; V172-V176 WeakPolarHBondContact O-CG2 3.43Å; V172-V176 PolarHBondContact O-N 2.78Å
173L98.2Very high96.5Very high45 Ų4553 Ų5324%0.23630%0.298CS..Hα-helixtrans-68.6-34.7-178.8-69.5173.7000112.4I127 F131 L169 T170 V171 V176 G177 L423I127-L173 HydrophobicContact CD1-CB 4.26Å; I127-L173 HydrophobicContact CG2-CB 4.4Å; I127-L173 HydrophobicContact CG2-CD1 4.16Å; F131-L173 HydrophobicContact CE2-CD1 3.42Å; F131-L173 VanDerWaalsContact CE2-CD1 3.42Å; F131-L173 HydrophobicContact CZ-CD1 3.67Å; L169-L173 WeakPolarHBondContact O-CB 3.3Å; L169-L173 VanDerWaalsContact O-CG 3.3Å; L169-L173 WeakPolarHBondContact O-CG 3.45Å; L169-L173 PolarHBondContact O-N 3.48Å; T170-L173 PolarHBondContact O-N 2.8Å; V171-L173 PolarHBondContact O-N 3Å; L173-V176 PolarHBondContact O-N 2.83Å; L173-G177 PolarHBondContact O-N 2.83Å; L173-L423 HydrophobicContact CB-CD1 3.94Å; L173-L423 HydrophobicContact CD2-CD2 4.43Å; L173-L423 WeakPolarHBondContact O-CD1 3.48Å; L173-L423 WeakPolarHBondContact O-CD2 3.3Å
174T98.3Very high96.9Very high15 Ų1555.7 Ų55.79%0.09232%0.315CS..Hα-helixtrans-59.5-49172.7-65.70000110.7T120 A124 T170 V171 V172 G177 L178 M421T120-T174 HydrophobicContact CG2-CG2 4.24Å; A124-T174 HydrophobicContact CB-CG2 4.32Å; A124-T174 WeakPolarHBondContact CB-OG1 3.31Å; T170-T174 WeakPolarHBondContact O-CB 3.44Å; T170-T174 PolarHBondContact O-N 2.67Å; T170-T174 PolarHBondContact O-OG1 3.18Å; V171-T174 PolarHBondContact O-N 3.3Å; V172-T174 PolarHBondContact O-N 3.11Å; T174-G177 PolarHBondContact O-N 2.87Å; T174-L178 HydrophobicContact CG2-CD1 3.77Å; T174-L178 HydrophobicContact CG2-CG 4.36Å; T174-L178 WeakPolarHBondContact O-CB 3.39Å; T174-L178 WeakPolarHBondContact O-CG 3.25Å; T174-L178 PolarHBondContact O-N 2.88Å; T174-M421 HydrophobicContact CG2-CE 3.51Å; T174-M421 HydrophobicContact CG2-SD 4.31Å
175V98.2Very high97.3Very high73 Ų7352.8 Ų52.844%0.44230%0.298SS..Hα-helixtrans-61.8-48.1178.6172.20000111V171 V172 G177 L178 L179V171-V175 WeakPolarHBondContact O-CG2 3.4Å; V171-V175 PolarHBondContact O-N 2.73Å; V172-V175 PolarHBondContact O-N 3.09Å; V175-G177 VanDerWaalsContact C-N 3.29Å; V175-G177 PolarHBondContact O-N 3.21Å; V175-L178 PolarHBondContact O-N 3.05Å; V175-L179 HydrophobicContact CG1-CD1 3.85Å; V175-L179 HydrophobicContact CG1-CG 4.29Å; V175-L179 WeakPolarHBondContact O-CB 3.35Å; V175-L179 VanDerWaalsContact O-CG 3.26Å; V175-L179 WeakPolarHBondContact O-CG 3.48Å; V175-L179 PolarHBondContact O-N 2.83Å
176V98.4Very high97.5Very high75 Ų7550.5 Ų50.546%0.45529%0.288SS..Hα-helixtrans-58.8-43.2177172.50000111.2V172 L173 L179 N180 L423V172-V176 WeakPolarHBondContact O-CG2 3.43Å; V172-V176 PolarHBondContact O-N 2.78Å; L173-V176 PolarHBondContact O-N 2.83Å; V176-L179 PolarHBondContact O-N 3.48Å; V176-N180 WeakPolarHBondContact O-CB 3.49Å; V176-N180 PolarHBondContact O-N 2.92Å; V176-L423 HydrophobicContact CB-CD2 4.14Å; V176-L423 HydrophobicContact CG1-CD2 3.86Å
177G98.1Very high97.6Very high0 Ų053.7 Ų53.70%031%0.307CS..Hα-helixtrans-63.7-44.6179.800000112.8L173 T174 V175 N180 A181 M421 R422L173-G177 PolarHBondContact O-N 2.83Å; T174-G177 PolarHBondContact O-N 2.87Å; V175-G177 VanDerWaalsContact C-N 3.29Å; V175-G177 PolarHBondContact O-N 3.21Å; G177-N180 PolarHBondContact O-N 3.04Å; G177-A181 VanDerWaalsContact O-CB 3.32Å; G177-A181 WeakPolarHBondContact O-CB 3.35Å; G177-A181 PolarHBondContact O-N 3.03Å; G177-M421 WeakPolarHBondContact O-CA 3.33Å; G177-R422 WeakPolarHBondContact CA-O 3.46Å; G177-R422 PolarHBondContact O-N 3.44Å
178L98.1Very high97.8Very high54 Ų5454.9 Ų54.928%0.28331%0.312SS..Hα-helixtrans-63.2-46.6175.9-70.9166.7000111.5T120 T174 V175 N180 A181 S182 P420 M421T120-L178 HydrophobicContact CG2-CD1 3.9Å; T120-L178 HydrophobicContact CG2-CD2 4.01Å; T120-L178 HydrophobicContact CG2-CG 4.44Å; T174-L178 HydrophobicContact CG2-CD1 3.77Å; T174-L178 HydrophobicContact CG2-CG 4.36Å; T174-L178 WeakPolarHBondContact O-CB 3.39Å; T174-L178 WeakPolarHBondContact O-CG 3.25Å; T174-L178 PolarHBondContact O-N 2.88Å; V175-L178 PolarHBondContact O-N 3.05Å; L178-N180 VanDerWaalsContact C-N 3.3Å; L178-N180 PolarHBondContact O-N 3.41Å; L178-A181 PolarHBondContact O-N 3.32Å; L178-S182 WeakPolarHBondContact O-CB 3.48Å; L178-S182 PolarHBondContact O-N 3.44Å; L178-S182 PolarHBondContact O-OG 3.39Å; L178-P420 HydrophobicContact CD2-CG 4.07Å; L178-P420 WeakPolarHBondContact CD2-O 3.34Å; L178-M421 HydrophobicContact CD2-CE 4.33Å; L178-M421 HydrophobicContact CD2-CG 4.09Å; L178-M421 HydrophobicContact CG-CE 4.32Å; L178-M421 HydrophobicContact CG-CG 4.17Å
179L98Very high97.9Very high103 Ų10352.9 Ų52.954%0.53931%0.309SS..Hα-helixtrans-63.4-36179.8-71.7175.3000112.5V175 V176 S182 Q183V175-L179 HydrophobicContact CG1-CD1 3.85Å; V175-L179 HydrophobicContact CG1-CG 4.29Å; V175-L179 WeakPolarHBondContact O-CB 3.35Å; V175-L179 VanDerWaalsContact O-CG 3.26Å; V175-L179 WeakPolarHBondContact O-CG 3.48Å; V175-L179 PolarHBondContact O-N 2.83Å; V176-L179 PolarHBondContact O-N 3.48Å; L179-S182 PolarHBondContact O-OG 3.04Å; L179-Q183 WeakPolarHBondContact O-CG 3.46Å; L179-Q183 PolarHBondContact O-NE2 3.15Å; L179-Q183 VanDerWaalsContact O-NE2 3.07Å
180N97.9Very high97.9Very high45 Ų4551 Ų5124%0.24130%0.3CS..Hα-helixtrans-70.6-46.5174.9-173.415.2000111.1V176 G177 L178 S182 Q183 R422 S425V176-N180 WeakPolarHBondContact O-CB 3.49Å; V176-N180 PolarHBondContact O-N 2.92Å; G177-N180 PolarHBondContact O-N 3.04Å; L178-N180 VanDerWaalsContact C-N 3.3Å; L178-N180 PolarHBondContact O-N 3.41Å; N180-S182 VanDerWaalsContact C-N 3.25Å; N180-S182 PolarHBondContact O-N 3.35Å; N180-Q183 WeakPolarHBondContact O-CB 3.41Å; N180-Q183 PolarHBondContact O-N 3.4Å; N180-Q183 VanDerWaalsContact O-N 3.13Å; N180-R422 HydrophobicContact CB-CB 4.39Å; N180-R422 WeakPolarHBondContact CB-O 3.3Å; N180-R422 PolarHBondContact ND2-O 3.26Å; N180-S425 PolarHBondContact ND2-O 2.98Å
181A96.5Very high97.9Very high5 Ų555.5 Ų55.54%0.04132%0.32CS..Hα-helixtrans-69.5-17.9179.400000114.5G177 L178 Q183 Y416 P420 R422G177-A181 VanDerWaalsContact O-CB 3.32Å; G177-A181 WeakPolarHBondContact O-CB 3.35Å; G177-A181 PolarHBondContact O-N 3.03Å; L178-A181 PolarHBondContact O-N 3.32Å; A181-Q183 VanDerWaalsContact C-N 3.33Å; A181-Y416 HydrophobicContact CB-CD1 3.91Å; A181-Y416 HydrophobicContact CB-CE1 3.84Å; A181-P420 VanDerWaalsContact CB-O 3.22Å; A181-P420 WeakPolarHBondContact CB-O 3.4Å; A181-R422 HydrophobicContact CB-CB 4.38Å; A181-R422 HydrophobicContact CB-CG 4.36Å
182S95.8Very high97.9Very high77 Ų7751.6 Ų51.654%0.53830%0.297SS..THydrogen-bonded Turntrans-80.6-14.2172.9720000113.2L178 L179 N180L178-S182 WeakPolarHBondContact O-CB 3.48Å; L178-S182 PolarHBondContact O-N 3.44Å; L178-S182 PolarHBondContact O-OG 3.39Å; L179-S182 PolarHBondContact O-OG 3.04Å; N180-S182 VanDerWaalsContact C-N 3.25Å; N180-S182 PolarHBondContact O-N 3.35Å
183Q97.1Very high97.9Very high93 Ų9350.2 Ų50.244%0.43529%0.289SS..SBendtrans-72.3150.4176.7-58.1-51.7-55.600110.8L179 N180 A181L179-Q183 WeakPolarHBondContact O-CG 3.46Å; L179-Q183 PolarHBondContact O-NE2 3.15Å; L179-Q183 VanDerWaalsContact O-NE2 3.07Å; N180-Q183 WeakPolarHBondContact O-CB 3.41Å; N180-Q183 PolarHBondContact O-N 3.4Å; N180-Q183 VanDerWaalsContact O-N 3.13Å; A181-Q183 VanDerWaalsContact C-N 3.33Å
184P97.6Very high97.9Very high60 Ų6048.1 Ų48.139%0.3928%0.278SS..PPolyproline II helixtrans-56149.1165.4-2233000111.2M225 M229P184-M225 HydrophobicContact CB-CE 4.21Å; P184-M225 HydrophobicContact CB-SD 3.81Å; P184-M225 HydrophobicContact CG-SD 3.88Å; P184-M229 HydrophobicContact CB-CE 4.23Å; P184-M229 HydrophobicContact CB-SD 4.01Å
185P98.1Very high97.9Very high4 Ų450.5 Ų50.53%0.02629%0.288CS..PPolyproline II helixtrans-55.9143172.8-24.535.4000110.9I226 M229 T414 M415 A427 I429P185-I226 HydrophobicContact CG-CG1 4.42Å; P185-M229 WeakPolarHBondContact O-CE 3.45Å; P185-T414 HydrophobicContact CG-CG2 4.29Å; P185-T414 WeakPolarHBondContact CG-O 3.36Å; P185-M415 HydrophobicContact CG-SD 4.17Å; P185-A427 CarbonylContact C-O 3.59Å; P185-A427 WeakPolarHBondContact CA-O 3.44Å; P185-A427 HydrophobicContact CB-CB 4.11Å; P185-A427 HydrophobicContact CG-CB 4.22Å; P185-I429 HydrophobicContact CB-CD1 4.37Å; P185-I429 HydrophobicContact CB-CG1 4.02Å
186T98Very high97.8Very high36 Ų3650.7 Ų50.722%0.22128%0.283CS..EExtended strand (participates in β ladder)trans-71.3141.8169.637.20000110.7R426 A427 E428 I429T186-R426 HydrophobicContact CG2-CG 4.49Å; T186-R426 VanDerWaalsContact CG2-NH1 3.35Å; T186-A427 PolarHBondContact N-O 3.47Å; T186-A427 PolarHBondContact OG1-O 3.39Å; T186-A427 VanDerWaalsContact OG1-O 3.14Å; T186-E428 CarbonylContact O-C 3.53Å; T186-E428 WeakPolarHBondContact O-CA 3.47Å; T186-E428 WeakPolarHBondContact O-CG 3.41Å; T186-I429 PolarHBondContact O-N 3.1Å
187V98.5Very high97.8Very high66 Ų6647.4 Ų47.440%0.426%0.263SS..EExtended strand (participates in β ladder)trans-83.5124.8163.9179.30000107.9M229 L233 I429V187-M229 HydrophobicContact CG2-CE 4.17Å; V187-L233 HydrophobicContact CG1-CD1 3.99Å; V187-L233 HydrophobicContact CG1-CD2 3.66Å; V187-L233 HydrophobicContact CG1-CG 4.48Å; V187-L233 HydrophobicContact CG2-CD1 4.38Å; V187-L233 HydrophobicContact CG2-CD2 4.23Å; V187-I429 WeakPolarHBondContact CA-O 3.42Å
188N98.2Very high97.7Very high59 Ų5948.4 Ų48.432%0.31627%0.269SS..EExtended strand (participates in β ladder)trans-122.4115.7178.118037.1000109.3Y409 E428 I429 T430 E431N188-Y409 PolarHBondContact ND2-OH 3.43Å; N188-E428 HydrophobicContact CB-CG 3.67Å; N188-E428 WeakPolarHBondContact CB-OE1 3.05Å; N188-E428 VanDerWaalsContact ND2-CD 3.32Å; N188-E428 PolarHBondContact ND2-OE1 2.92Å; N188-E428 PolarHBondContact ND2-OE2 3.26Å; N188-I429 PolarHBondContact N-O 3.1Å; N188-T430 CarbonylContact O-C 2.97Å; N188-T430 WeakPolarHBondContact O-CA 3.48Å; N188-T430 WeakPolarHBondContact O-CG2 3.38Å; N188-E431 PolarHBondContact O-N 2.95Å
189S98.4Very high97.7Very high67 Ų6749.5 Ų49.547%0.46929%0.287SS..EExtended strand (participates in β ladder)trans-94.7125.2-180-55.60000110.2E431S189-E431 CarbonylContact C-O 3.54Å; S189-E431 VanDerWaalsContact CA-O 3.3Å; S189-E431 WeakPolarHBondContact CA-O 3.49Å; S189-E431 PolarHBondContact OG-OE2 2.95Å
190V98.3Very high97.7Very high20 Ų2046.4 Ų46.412%0.12127%0.272CS..EExtended strand (participates in β ladder)trans-127.4121.5-176.2-176.70000109.3V192 L399 Y409 T430 E431 I432 I433V190-V192 HydrophobicContact CG1-CG2 4.11Å; V190-L399 HydrophobicContact CG1-CB 4.27Å; V190-L399 HydrophobicContact CG1-CD2 3.86Å; V190-L399 HydrophobicContact CG1-CG 4.46Å; V190-Y409 HydrophobicContact CB-CE2 4.49Å; V190-Y409 HydrophobicContact CG1-CD2 4.41Å; V190-Y409 HydrophobicContact CG1-CE2 4.42Å; V190-Y409 HydrophobicContact CG2-CE2 3.85Å; V190-T430 HydrophobicContact CG2-CG2 4Å; V190-E431 PolarHBondContact N-O 3.44Å; V190-I432 HydrophobicContact CB-CD1 4.06Å; V190-I432 CarbonylContact O-C 3.54Å; V190-I432 WeakPolarHBondContact O-CA 3.46Å; V190-I433 PolarHBondContact O-N 3.12Å
191E98.4Very high97.7Very high105 Ų10544.5 Ų44.549%0.49126%0.262SS..EExtended strand (participates in β ladder)trans-89.8128.8176.1-53.8-165.3172.900110.6I433 R435E191-I433 WeakPolarHBondContact CA-O 3.27Å; E191-I433 HydrophobicContact CG-CB 4.24Å; E191-I433 HydrophobicContact CG-CD1 4.3Å; E191-R435 HydrophobicContact CB-CG 4.13Å; E191-R435 VanDerWaalsContact CD-NE 3.33Å; E191-R435 IonicContact OE1-CZ 2.77Å; E191-R435 IonicContact OE1-NE 3.97Å; E191-R435 IonicContact OE1-NH2 3.43Å; E191-R435 PolarHBondContact OE1-NH2 3.06Å; E191-R435 IonicContact OE2-CZ 2.99Å; E191-R435 VanDerWaalsContact OE2-CZ 3.28Å; E191-R435 IonicContact OE2-NE 3.77Å; E191-R435 PolarHBondContact OE2-NE 2.85Å; E191-R435 IonicContact OE2-NH2 3.87Å; E191-R435 PolarHBondContact OE2-NH2 2.93Å; E191-R435 VanDerWaalsContact OE2-NH2 3.13Å
192V98.4Very high97.8Very high0 Ų046.9 Ų46.90%027%0.274CS..EExtended strand (participates in β ladder)trans-125.8117-177.3-174.80000110V190 V194 L371 L399 F407 I432 I433 R435V190-V192 HydrophobicContact CG1-CG2 4.11Å; V192-V194 HydrophobicContact CG1-CG2 4.14Å; V192-V194 PolarHBondContact O-N 2.85Å; V192-V194 VanDerWaalsContact O-N 3.16Å; V192-L371 HydrophobicContact CG1-CD1 4.2Å; V192-L371 HydrophobicContact CG1-CD2 4.4Å; V192-L399 HydrophobicContact CG2-CD1 3.88Å; V192-L399 HydrophobicContact CG2-CD2 4.22Å; V192-F407 HydrophobicContact CG1-CB 3.89Å; V192-F407 HydrophobicContact CG1-CD1 4.35Å; V192-F407 HydrophobicContact CG1-CD2 3.76Å; V192-F407 HydrophobicContact CG1-CE2 4.4Å; V192-F407 HydrophobicContact CG1-CG 3.74Å; V192-I432 HydrophobicContact CB-CG2 4.46Å; V192-I432 HydrophobicContact CG2-CG2 3.92Å; V192-I433 PolarHBondContact N-O 3.01Å; V192-R435 PolarHBondContact O-N 3.36Å
193P97.7Very high97.9Very high53 Ų5347 Ų4734%0.34427%0.268SS..EExtended strand (participates in β ladder)trans-72.7104.9171.728.7-30.1000110F407 R435 P437P193-F407 HydrophobicContact CG-CE2 3.81Å; P193-F407 HydrophobicContact CG-CZ 3.64Å; P193-F407 VanDerWaalsContact O-CE2 3.24Å; P193-F407 WeakPolarHBondContact O-CE2 3.34Å; P193-R435 WeakPolarHBondContact CA-O 3.34Å; P193-P437 HydrophobicContact CB-CB 4.19Å
194V98.1Very high97.9Very high0 Ų043 Ų430%025%0.25CC..  trans-94.6110.7-178.5-179.30000109V192 L197 A348 N370 L371 L434 R435 P437V192-V194 HydrophobicContact CG1-CG2 4.14Å; V192-V194 PolarHBondContact O-N 2.85Å; V192-V194 VanDerWaalsContact O-N 3.16Å; V194-L197 HydrophobicContact CB-CB 4.02Å; V194-L197 HydrophobicContact CB-CD2 4.42Å; V194-L197 HydrophobicContact CG1-CB 4.19Å; V194-L197 WeakPolarHBondContact O-CB 3.49Å; V194-L197 PolarHBondContact O-N 2.73Å; V194-A348 HydrophobicContact CG1-CB 3.75Å; V194-N370 HydrophobicContact CG1-CB 3.78Å; V194-L371 HydrophobicContact CG2-CD2 4.28Å; V194-L434 HydrophobicContact CG2-CB 4.35Å; V194-L434 HydrophobicContact CG2-CD2 3.9Å; V194-R435 PolarHBondContact N-O 2.9Å; V194-P437 WeakPolarHBondContact O-CD 3.48Å
195H97.1Very high98Very high66 Ų6643.5 Ų43.531%0.30625%0.246SC..THydrogen-bonded Turntrans-59139.8177-17667.1000111.1L197 A348 N370 N405H195-L197 PolarHBondContact O-N 2.88Å; H195-A348 WeakPolarHBondContact O-CB 3.48Å; H195-N370 PolarHBondContact O-OD1 3.15Å; H195-N405 HydrophobicContact CB-CB 3.79Å
196K96.5Very high98Very high76 Ų7643.7 Ų43.733%0.3325%0.247SC..THydrogen-bonded Turntrans61.815.7-174.9-61.4178.3178.3-159.80115.3S345 E346 A348K196-S345 WeakPolarHBondContact CD-O 3.34Å; K196-S345 PolarHBondContact NZ-O 2.87Å; K196-E346 IonicContact NZ-OE1 3.99Å; K196-E346 IonicContact NZ-OE2 3.76Å; K196-E346 PolarHBondContact NZ-OE2 3.01Å; K196-A348 HydrophobicContact CB-CB 4.47Å; K196-A348 PolarHBondContact O-N 3.43Å
197L98.1Very high98Very high7 Ų742 Ų424%0.03724%0.236CC..  trans-70.1129168.8-173.373.3000109.1V194 H195 M201 F314 A348 L434 S436V194-L197 HydrophobicContact CB-CB 4.02Å; V194-L197 HydrophobicContact CB-CD2 4.42Å; V194-L197 HydrophobicContact CG1-CB 4.19Å; V194-L197 WeakPolarHBondContact O-CB 3.49Å; V194-L197 PolarHBondContact O-N 2.73Å; H195-L197 PolarHBondContact O-N 2.88Å; L197-M201 HydrophobicContact CD1-CB 4.17Å; L197-M201 HydrophobicContact CG-CB 4.26Å; L197-F314 HydrophobicContact CD1-CB 4.34Å; L197-F314 HydrophobicContact CD1-CD1 4Å; L197-F314 HydrophobicContact CD1-CG 4.31Å; L197-A348 HydrophobicContact CB-CB 4.4Å; L197-L434 HydrophobicContact CD1-CD1 4.36Å; L197-L434 HydrophobicContact CD2-CB 3.64Å; L197-S436 PolarHBondContact O-OG 3.05Å; L197-S436 VanDerWaalsContact O-OG 3.09Å
198P97.8Very high98.1Very high20 Ų2038.8 Ų38.813%0.1322%0.217CC..  trans-61.1143.1177.1-23.933.8000112.3T200 M201 D312P198-T200 PolarHBondContact O-N 2.85Å; P198-T200 VanDerWaalsContact O-N 3.15Å; P198-M201 HydrophobicContact CB-CG 4.3Å; P198-M201 HydrophobicContact CB-SD 4.49Å; P198-M201 HydrophobicContact CG-SD 4.11Å; P198-M201 PolarHBondContact O-N 2.84Å; P198-D312 HydrophobicContact CB-CB 3.72Å; P198-D312 HydrophobicContact CG-CB 4.03Å
199A97.3Very high98.1Very high78 Ų7836 Ų3665%0.64520%0.202SC*.G310 helixtrans-59-30.4-179.600000113.1M201 N202A199-M201 PolarHBondContact O-N 2.91Å; A199-N202 WeakPolarHBondContact O-CB 3.41Å; A199-N202 PolarHBondContact O-N 2.86Å
200T97.7Very high98.1Very high38 Ų3832.8 Ų32.823%0.23318%0.18CC..G310 helixtrans-65.4-21.9176.859.60000113.2P198 S306 K308 N309 D312P198-T200 PolarHBondContact O-N 2.85Å; P198-T200 VanDerWaalsContact O-N 3.15Å; T200-S306 WeakPolarHBondContact CB-OG 3.23Å; T200-S306 WeakPolarHBondContact OG1-CB 3.48Å; T200-S306 PolarHBondContact OG1-OG 3.49Å; T200-K308 HydrophobicContact CG2-CB 4.39Å; T200-K308 WeakPolarHBondContact O-CD 3.46Å; T200-K308 PolarHBondContact O-NZ 2.72Å; T200-N309 HydrophobicContact CG2-CB 4.27Å; T200-D312 WeakPolarHBondContact CB-OD2 3.48Å; T200-D312 WeakPolarHBondContact CG2-OD2 3.32Å; T200-D312 WeakPolarHBondContact OG1-CB 3.36Å; T200-D312 PolarHBondContact OG1-OD2 3.42Å
201M97.7Very high98.1Very high5 Ų531.9 Ų31.93%0.02517%0.174CC..G310 helixtrans-100.79.3-179.9-52.7-174.884.400112.9L197 P198 A199 N203 L204 I304 F314L197-M201 HydrophobicContact CD1-CB 4.17Å; L197-M201 HydrophobicContact CG-CB 4.26Å; P198-M201 HydrophobicContact CB-CG 4.3Å; P198-M201 HydrophobicContact CB-SD 4.49Å; P198-M201 HydrophobicContact CG-SD 4.11Å; P198-M201 PolarHBondContact O-N 2.84Å; A199-M201 PolarHBondContact O-N 2.91Å; M201-N203 PolarHBondContact O-N 3.16Å; M201-L204 HydrophobicContact CB-CD1 4.38Å; M201-L204 HydrophobicContact CE-CD1 3.57Å; M201-L204 VanDerWaalsContact O-CB 3.25Å; M201-L204 WeakPolarHBondContact O-CB 3.09Å; M201-L204 PolarHBondContact O-N 2.89Å; M201-I304 HydrophobicContact CE-CG2 3.94Å; M201-I304 WeakPolarHBondContact CE-O 3.44Å; M201-F314 HydrophobicContact CE-CD1 3.47Å; M201-F314 VanDerWaalsContact CE-CD1 3.47Å; M201-F314 HydrophobicContact CE-CE1 3.58Å; M201-F314 HydrophobicContact SD-CD1 3.84Å
202N98.1Very high98.1Very high55 Ų5526.9 Ų26.929%0.29415%0.151SC..THydrogen-bonded Turntrans-62135.6171.4-173.539000110.9A199 R435 S436A199-N202 WeakPolarHBondContact O-CB 3.41Å; A199-N202 PolarHBondContact O-N 2.86Å; N202-R435 WeakPolarHBondContact OD1-CA 3.17Å; N202-S436 PolarHBondContact OD1-N 3.32Å
203N97.9Very high98.1Very high79 Ų7926.9 Ų26.942%0.42215%0.151SC..THydrogen-bonded Turntrans73.714.7-171.4-52.5-94000115.5M201 K205 L434 R435M201-N203 PolarHBondContact O-N 3.16Å; N203-K205 PolarHBondContact O-N 2.94Å; N203-L434 WeakPolarHBondContact CA-O 3.43Å; N203-L434 PolarHBondContact N-O 2.85Å; N203-R435 PolarHBondContact OD1-NH1 3.07Å
204L98.3Very high98.1Very high9 Ų924.4 Ų24.45%0.04714%0.135CC..EExtended strand (participates in β ladder)trans-61.5129.3175.8-171.1153.4000110.1M201 V206 D236 I237 L266 F314 L434M201-L204 HydrophobicContact CB-CD1 4.38Å; M201-L204 HydrophobicContact CE-CD1 3.57Å; M201-L204 VanDerWaalsContact O-CB 3.25Å; M201-L204 WeakPolarHBondContact O-CB 3.09Å; M201-L204 PolarHBondContact O-N 2.89Å; L204-V206 HydrophobicContact CD2-CG2 3.5Å; L204-V206 VanDerWaalsContact CD2-CG2 3.5Å; L204-D236 HydrophobicContact CD2-CB 4.2Å; L204-D236 HydrophobicContact CG-CB 3.97Å; L204-I237 HydrophobicContact CD1-CD1 4.49Å; L204-I237 HydrophobicContact CD2-CD1 3.68Å; L204-I237 HydrophobicContact CD2-CG1 4.14Å; L204-L266 HydrophobicContact CD1-CD1 3.66Å; L204-L266 HydrophobicContact CG-CD1 4.42Å; L204-F314 HydrophobicContact CD1-CE1 4.01Å; L204-L434 HydrophobicContact CB-CB 4.39Å; L204-L434 HydrophobicContact CB-CD1 4.48Å; L204-L434 HydrophobicContact CD2-CD1 3.94Å; L204-L434 HydrophobicContact CD2-CG 4.37Å; L204-L434 PolarHBondContact O-N 3.4Å
205K98.7Very high97.9Very high71 Ų7124.5 Ų24.531%0.30914%0.136SC..EExtended strand (participates in β ladder)trans-97.7114.9-177.2-66.4177.9168.8-1360111.3N203 D236 I237 E431N203-K205 PolarHBondContact O-N 2.94Å; K205-D236 PolarHBondContact N-OD2 3.2Å; K205-D236 WeakPolarHBondContact O-CB 3.41Å; K205-D236 PolarHBondContact O-N 2.9Å; K205-I237 PolarHBondContact O-N 2.6Å; K205-I237 VanDerWaalsContact O-N 3.11Å; K205-E431 WeakPolarHBondContact CD-OE1 3.29Å; K205-E431 WeakPolarHBondContact CE-OE1 3.5Å; K205-E431 IonicContact NZ-OE1 3.13Å; K205-E431 PolarHBondContact NZ-OE1 3.38Å
206V98.9Very high97.8Very high7 Ų721.3 Ų21.34%0.04212%0.121CC..EExtended strand (participates in β ladder)trans-106.9115.1172-173.80000108.7L204 I237 V239 L373 I432 L434L204-V206 HydrophobicContact CD2-CG2 3.5Å; L204-V206 VanDerWaalsContact CD2-CG2 3.5Å; V206-I237 CarbonylContact C-O 3.49Å; V206-I237 WeakPolarHBondContact CA-O 3.47Å; V206-I237 HydrophobicContact CG1-CB 4.32Å; V206-I237 HydrophobicContact CG1-CG2 4.33Å; V206-I237 HydrophobicContact CG2-CB 4.27Å; V206-I237 HydrophobicContact CG2-CD1 4.21Å; V206-V239 HydrophobicContact CG1-CG1 4.05Å; V206-V239 HydrophobicContact CG1-CG2 3.9Å; V206-L373 HydrophobicContact CG1-CD1 4.32Å; V206-I432 HydrophobicContact CB-CB 4.26Å; V206-I432 PolarHBondContact N-O 3.07Å; V206-I432 PolarHBondContact O-N 3.39Å; V206-L434 HydrophobicContact CG2-CD1 4.02Å; V206-L434 HydrophobicContact CG2-CD2 4.38Å; V206-L434 HydrophobicContact CG2-CG 4.11Å
207V98.9Very high97.8Very high0 Ų017.7 Ų17.70%011%0.105CC..EExtended strand (participates in β ladder)trans-88.5120.3170.7168.50000109.3L209 V230 L233 P235 I237 T238 V239 I429 T430V207-L209 HydrophobicContact CG1-CD2 4.32Å; V207-V230 HydrophobicContact CB-CG1 4.4Å; V207-V230 HydrophobicContact CG1-CB 4.44Å; V207-V230 HydrophobicContact CG1-CG1 3.92Å; V207-V230 HydrophobicContact CG1-CG2 3.93Å; V207-L233 HydrophobicContact CG1-CD1 4.42Å; V207-L233 HydrophobicContact CG2-CB 4.04Å; V207-L233 HydrophobicContact CG2-CD1 3.7Å; V207-P235 HydrophobicContact CB-CB 3.91Å; V207-P235 HydrophobicContact CB-CG 4.27Å; V207-P235 HydrophobicContact CG2-CB 3.66Å; V207-P235 HydrophobicContact CG2-CG 4.09Å; V207-I237 PolarHBondContact N-O 3.32Å; V207-T238 CarbonylContact O-C 3.58Å; V207-T238 WeakPolarHBondContact O-CA 3.48Å; V207-V239 PolarHBondContact O-N 2.84Å; V207-I429 HydrophobicContact CG1-CG2 3.69Å; V207-T430 WeakPolarHBondContact CA-O 3.17Å
208L98.9Very high97.8Very high0 Ų017.4 Ų17.40%010%0.104CC..EExtended strand (participates in β ladder)trans-98.9121.6178.2168.465.2000110.1V239 V241 L373 Y409 T430L208-V239 HydrophobicContact CB-CG2 4.07Å; L208-V239 HydrophobicContact CD1-CG2 3.74Å; L208-V241 HydrophobicContact CD1-CB 3.78Å; L208-V241 HydrophobicContact CD1-CG2 3.29Å; L208-L373 HydrophobicContact CD1-CB 4.34Å; L208-L373 HydrophobicContact CD2-CB 4.33Å; L208-L373 HydrophobicContact CD2-CD2 4.49Å; L208-Y409 HydrophobicContact CD2-CD1 3.55Å; L208-Y409 HydrophobicContact CD2-CE1 3.81Å; L208-T430 PolarHBondContact N-O 3.21Å; L208-T430 PolarHBondContact O-N 2.89Å
209L98.9Very high97.8Very high0 Ų016.5 Ų16.50%010%0.098CC..EExtended strand (participates in β ladder)trans-111.4147.1166.5-54.7178.6000108.9V207 I212 I226 V230 T238 V239 I240 V241 T414 I429V207-L209 HydrophobicContact CG1-CD2 4.32Å; L209-I212 HydrophobicContact CB-CD1 4.37Å; L209-I212 HydrophobicContact CD1-CD1 4.45Å; L209-I226 HydrophobicContact CD1-CG2 4.18Å; L209-I226 HydrophobicContact CD2-CG2 4.01Å; L209-V230 HydrophobicContact CD1-CG2 3.94Å; L209-V230 HydrophobicContact CD2-CG2 3.76Å; L209-V230 HydrophobicContact CG-CG2 4.26Å; L209-T238 HydrophobicContact CD1-CG2 4.28Å; L209-V239 PolarHBondContact N-O 2.73Å; L209-I240 HydrophobicContact CB-CG1 4.25Å; L209-I240 HydrophobicContact CD1-CG1 4.26Å; L209-I240 CarbonylContact O-C 3.52Å; L209-I240 WeakPolarHBondContact O-CA 3.36Å; L209-V241 PolarHBondContact O-N 2.77Å; L209-T414 WeakPolarHBondContact CA-OG1 3.49Å; L209-T414 HydrophobicContact CD2-CG2 4.09Å; L209-I429 HydrophobicContact CD2-CB 4.32Å; L209-I429 HydrophobicContact CD2-CD1 4.4Å; L209-I429 HydrophobicContact CD2-CG1 3.8Å; L209-I429 HydrophobicContact CD2-CG2 3.91Å
210S98.4Very high97.8Very high0 Ų015.2 Ų15.20%08%0.078CC..  trans-157153.8178.4-169.70000109.6I212 V241 G375 T414S210-I212 PolarHBondContact O-N 2.93Å; S210-V241 PolarHBondContact OG-O 2.81Å; S210-G375 VanDerWaalsContact OG-CA 3.31Å; S210-G375 WeakPolarHBondContact OG-CA 3.29Å; S210-T414 PolarHBondContact N-OG1 2.86Å; S210-T414 VanDerWaalsContact N-OG1 3.09Å; S210-T414 WeakPolarHBondContact O-CA 3.45Å; S210-T414 WeakPolarHBondContact O-CB 3.41Å; S210-T414 PolarHBondContact O-N 2.83Å; S210-T414 PolarHBondContact O-OG1 2.87Å
211D98.4Very high97.8Very high0 Ų017.9 Ų17.90%09%0.094CC..  trans53.152.5167.4-49.6-95.8000114H213 G242 D243 H354 H376 H378 M415D211-H213 VanDerWaalsContact C-CD2 3.49Å; D211-H213 PolarHBondContact O-CD2 3.43Å; D211-G242 PolarHBondContact N-O 3.47Å; D211-G242 VanDerWaalsContact N-O 3.11Å; D211-D243 CarbonylContact C-O 3.56Å; D211-D243 VanDerWaalsContact CA-O 3.29Å; D211-D243 WeakPolarHBondContact CA-O 3.49Å; D211-D243 HydrophobicContact CB-CB 4.43Å; D211-H354 IonicContact OD1-CE1 3.28Å; D211-H354 PolarHBondContact OD1-CE1 3Å; D211-H376 VanDerWaalsContact OD1-CA 3.25Å; D211-H376 WeakPolarHBondContact OD1-CA 3.33Å; D211-H376 PolarHBondContact OD1-N 3.35Å; D211-H376 VanDerWaalsContact OD1-N 3.15Å; D211-H376 PolarHBondContact OD2-N 3.02Å; D211-H378 WeakPolarHBondContact CB-CE1 3.44Å; D211-H378 WeakPolarHBondContact CB-NE2 3.44Å; D211-H378 IonicContact OD1-CD2 3.77Å; D211-H378 PolarHBondContact OD1-CD2 3.21Å; D211-H378 IonicContact OD1-CE1 2.73Å; D211-H378 IonicContact OD1-NE2 3.63Å; D211-H378 PolarHBondContact OD1-NE2 3.46Å; D211-M415 PolarHBondContact O-N 2.9Å
212I98.3Very high97.9Very high0 Ų020 Ų200%010%0.103CC..  trans-79.5-36178.2-63.9175.7000110.6L209 S210 L214 V218 L223 I226 D243 L244 T414L209-I212 HydrophobicContact CB-CD1 4.37Å; L209-I212 HydrophobicContact CD1-CD1 4.45Å; S210-I212 PolarHBondContact O-N 2.93Å; I212-L214 HydrophobicContact CG2-CD2 4.23Å; I212-L214 HydrophobicContact CG2-CG 3.98Å; I212-V218 HydrophobicContact CG2-CG1 4.47Å; I212-L223 HydrophobicContact CD1-CD1 4.21Å; I212-L223 HydrophobicContact CG2-CD1 4.08Å; I212-I226 HydrophobicContact CG2-CD1 4.36Å; I212-D243 PolarHBondContact N-O 3.16Å; I212-L244 HydrophobicContact CB-CD1 4.19Å; I212-L244 HydrophobicContact CD1-CD1 3.81Å; I212-L244 HydrophobicContact CG1-CD1 4.48Å; I212-T414 HydrophobicContact CG1-CG2 4.26Å
213H97.8Very high97.9Very high0 Ų017.4 Ų17.40%09%0.089CC..  trans52.253.4178.9-65.8-84.6000114.8D211 G215 V218 D243 L244 D246 H275 H378 F417D211-H213 VanDerWaalsContact C-CD2 3.49Å; D211-H213 PolarHBondContact O-CD2 3.43Å; H213-G215 PolarHBondContact O-N 3.08Å; H213-G215 VanDerWaalsContact O-N 3.15Å; H213-V218 WeakPolarHBondContact O-CB 3.42Å; H213-D243 IonicContact CE1-OD2 3.47Å; H213-D243 PolarHBondContact CE1-OD2 3.35Å; H213-D243 PolarHBondContact N-O 3.11Å; H213-D243 IonicContact NE2-OD2 2.9Å; H213-L244 PolarHBondContact N-O 3.11Å; H213-D246 IonicContact CE1-OD1 3.9Å; H213-D246 IonicContact CG-OD1 3.4Å; H213-D246 IonicContact CG-OD2 3.79Å; H213-D246 IonicContact ND1-OD1 3.32Å; H213-D246 PolarHBondContact ND1-OD1 3.43Å; H213-D246 IonicContact ND1-OD2 3.03Å; H213-H275 AromaticContact CE1-CD2 3.6Å; H213-H275 AromaticContact CE1-CE1 3.56Å; H213-H275 AromaticContact CE1-CG 3.61Å; H213-H275 AromaticContact CE1-ND1 3.59Å; H213-H275 AromaticContact CE1-NE2 3.62Å; H213-H275 AromaticContact ND1-CE1 3.77Å; H213-H275 AromaticContact ND1-CG 3.85Å; H213-H275 AromaticContact ND1-ND1 3.52Å; H213-H378 AromaticContact CD2-CE1 3.48Å; H213-H378 PolarHBondContact CD2-CE1 3.46Å; H213-H378 VanDerWaalsContact CD2-CE1 3.48Å; H213-H378 AromaticContact CD2-NE2 3.71Å; H213-H378 AromaticContact NE2-CE1 3.3Å; H213-H378 PolarHBondContact NE2-CE1 3.13Å; H213-H378 VanDerWaalsContact NE2-CE1 3.3Å; H213-H378 AromaticContact NE2-NE2 3Å; H213-H378 PolarHBondContact NE2-NE2 3.02Å; H213-F417 WeakPolarHBondContact NE2-CB 3.25Å
214L97.4Very high97.9Very high1 Ų114.6 Ų14.61%0.0058%0.077CC..BIsolated β-bridgetrans-56.1120.5169.9-67.8169.5000110.3I212 V218 L223 L244 T245 D246 I252 V256I212-L214 HydrophobicContact CG2-CD2 4.23Å; I212-L214 HydrophobicContact CG2-CG 3.98Å; L214-V218 HydrophobicContact CD2-CG1 4.23Å; L214-L223 HydrophobicContact CD1-CD1 4.42Å; L214-L223 HydrophobicContact CD1-CD2 3.63Å; L214-L223 HydrophobicContact CD2-CB 4.06Å; L214-L223 HydrophobicContact CD2-CD1 4.42Å; L214-L223 HydrophobicContact CD2-CD2 3.98Å; L214-L223 HydrophobicContact CD2-CG 4.39Å; L214-L223 HydrophobicContact CG-CD2 4.42Å; L214-L244 HydrophobicContact CD1-CD1 4.12Å; L214-L244 HydrophobicContact CD1-CG 4.47Å; L214-L244 PolarHBondContact N-O 2.86Å; L214-T245 WeakPolarHBondContact O-CA 3.31Å; L214-T245 PolarHBondContact O-OG1 2.73Å; L214-D246 PolarHBondContact O-N 2.83Å; L214-I252 HydrophobicContact CB-CD1 3.63Å; L214-V256 HydrophobicContact CD1-CG2 4.02Å
215G95.4Very high97.9Very high2 Ų216.1 Ų16.12%0.0218%0.084CC..SBendtrans167.4-138.6-170.600000113.1H213 T217 V218H213-G215 PolarHBondContact O-N 3.08Å; H213-G215 VanDerWaalsContact O-N 3.15Å; G215-T217 PolarHBondContact O-N 2.92Å; G215-T217 VanDerWaalsContact O-N 3.13Å; G215-V218 PolarHBondContact N-O 2.96Å
216P94.7Very high97.9Very high0 Ų012.8 Ų12.80%07%0.07CC..SBendtrans-67.6-18.2-166.627.5-35.9000114.6V103 V107 P111 S115 Y119V103-P216 HydrophobicContact CB-CG 4.11Å; V103-P216 HydrophobicContact CG2-CG 4.24Å; V107-P216 HydrophobicContact CG2-CB 4.38Å; P111-P216 WeakPolarHBondContact CB-O 3.34Å; S115-P216 WeakPolarHBondContact CB-O 3.48Å; Y119-P216 HydrophobicContact CE2-CB 3.81Å; Y119-P216 HydrophobicContact CE2-CG 3.64Å
217T96.9Very high97.9Very high0 Ų012.5 Ų12.50%07%0.068CC..SBendtrans-131.1-5.3-17554.40000115P111 L116 Y119 G215 G418P111-T217 WeakPolarHBondContact CG-O 3.41Å; L116-T217 HydrophobicContact CD2-CG2 4.12Å; Y119-T217 HydrophobicContact CD2-CG2 3.49Å; Y119-T217 VanDerWaalsContact CD2-CG2 3.49Å; Y119-T217 HydrophobicContact CE2-CG2 4.2Å; Y119-T217 HydrophobicContact CG-CG2 3.89Å; G215-T217 PolarHBondContact O-N 2.92Å; G215-T217 VanDerWaalsContact O-N 3.13Å; T217-G418 WeakPolarHBondContact CB-O 3.48Å; T217-G418 WeakPolarHBondContact CG2-O 3.45Å; T217-G418 PolarHBondContact OG1-O 3.31Å; T217-G418 VanDerWaalsContact OG1-O 3.05Å
218V97.6Very high97.9Very high1 Ų119.5 Ų19.51%0.00610%0.095CC..  trans-131121.8175.2-176.20000108I212 H213 L214 G215 K222 M415 Y416I212-V218 HydrophobicContact CG2-CG1 4.47Å; H213-V218 WeakPolarHBondContact O-CB 3.42Å; L214-V218 HydrophobicContact CD2-CG1 4.23Å; G215-V218 PolarHBondContact N-O 2.96Å; V218-K222 HydrophobicContact CG1-CB 4Å; V218-K222 HydrophobicContact CG1-CD 4.18Å; V218-M415 HydrophobicContact CG1-CG 4.41Å; V218-M415 HydrophobicContact CG2-CB 4.47Å; V218-Y416 HydrophobicContact CG2-CD2 4.17Å; V218-Y416 HydrophobicContact CG2-CE2 3.76Å
219G97.4Very high97.9Very high1 Ų121.6 Ų21.61%0.0111%0.105CC..  trans-129.6-163.1-179.400000113.3E109 T221 K222 L223E109-G219 WeakPolarHBondContact O-CA 2.9Å; G219-T221 VanDerWaalsContact C-N 3.33Å; G219-T221 PolarHBondContact O-N 3.49Å; G219-K222 PolarHBondContact O-N 3.45Å; G219-L223 PolarHBondContact O-N 3.16Å
220K98.3Very high97.9Very high51 Ų5121.7 Ų21.722%0.22211%0.105CC..Hα-helixtrans-54.1-43.4-170.4-165.9171-177.4161.90113.9E109 E110 K222 L223 A224 P254 A255 E257 P258E109-K220 HydrophobicContact CG-CB 3.99Å; E109-K220 HydrophobicContact CG-CD 3.88Å; E109-K220 PolarHBondContact O-N 3.18Å; E109-K220 WeakPolarHBondContact OE1-CD 3.44Å; E109-K220 WeakPolarHBondContact OE1-CE 3.44Å; E109-K220 IonicContact OE1-NZ 3.5Å; E109-K220 PolarHBondContact OE1-NZ 3.49Å; E110-K220 WeakPolarHBondContact OE1-CB 3.3Å; E110-K220 PolarHBondContact OE1-N 3.26Å; K220-K222 VanDerWaalsContact C-N 3.31Å; K220-K222 PolarHBondContact O-N 2.6Å; K220-L223 PolarHBondContact O-N 3.14Å; K220-A224 WeakPolarHBondContact O-CB 3.45Å; K220-A224 PolarHBondContact O-N 3.25Å; K220-P254 WeakPolarHBondContact CD-O 3.48Å; K220-P254 WeakPolarHBondContact CE-O 3.33Å; K220-P254 PolarHBondContact NZ-O 2.98Å; K220-A255 HydrophobicContact CB-CB 4.34Å; K220-E257 IonicContact NZ-OE2 2.67Å; K220-E257 PolarHBondContact NZ-OE2 3.35Å; K220-P258 HydrophobicContact CG-CG 3.83Å
221T97.9Very high97.9Very high94 Ų9426.3 Ų26.358%0.57713%0.126SC*.Hα-helixtrans-60.3-42.5-175.5-66.80000111.3E110 G219 M225E110-T221 WeakPolarHBondContact OE1-CA 3.4Å; E110-T221 WeakPolarHBondContact OE1-CB 3.43Å; E110-T221 PolarHBondContact OE1-N 3.35Å; E110-T221 PolarHBondContact OE1-OG1 3.15Å; G219-T221 VanDerWaalsContact C-N 3.33Å; G219-T221 PolarHBondContact O-N 3.49Å; T221-M225 PolarHBondContact O-N 2.99Å; T221-M225 VanDerWaalsContact O-N 3.14Å
222K97.8Very high97.9Very high49 Ų4930 Ų3021%0.21316%0.157CC..Hα-helixtrans-71.3-40.7177.5-67.6-164.9174-166.90111.5V218 G219 K220 M225 I226 M415 Y416V218-K222 HydrophobicContact CG1-CB 4Å; V218-K222 HydrophobicContact CG1-CD 4.18Å; G219-K222 PolarHBondContact O-N 3.45Å; K220-K222 VanDerWaalsContact C-N 3.31Å; K220-K222 PolarHBondContact O-N 2.6Å; K222-M225 WeakPolarHBondContact O-CB 3.43Å; K222-M225 PolarHBondContact O-N 2.65Å; K222-I226 WeakPolarHBondContact O-CG1 3.24Å; K222-I226 PolarHBondContact O-N 2.86Å; K222-M415 HydrophobicContact CD-CE 3.64Å; K222-M415 HydrophobicContact CD-SD 4.46Å; K222-Y416 VanDerWaalsContact NZ-CZ 3.33Å; K222-Y416 PolarHBondContact NZ-OH 3.08Å
223L98.6Very high97.9Very high0 Ų031.4 Ų31.40%016%0.164CC..Hα-helixtrans-62.7-45176.7-167.960.2000112.1I212 L214 G219 K220 M225 I226 V227 A255 P258 L259I212-L223 HydrophobicContact CD1-CD1 4.21Å; I212-L223 HydrophobicContact CG2-CD1 4.08Å; L214-L223 HydrophobicContact CD1-CD1 4.42Å; L214-L223 HydrophobicContact CD1-CD2 3.63Å; L214-L223 HydrophobicContact CD2-CB 4.06Å; L214-L223 HydrophobicContact CD2-CD1 4.42Å; L214-L223 HydrophobicContact CD2-CD2 3.98Å; L214-L223 HydrophobicContact CD2-CG 4.39Å; L214-L223 HydrophobicContact CG-CD2 4.42Å; G219-L223 PolarHBondContact O-N 3.16Å; K220-L223 PolarHBondContact O-N 3.14Å; L223-M225 VanDerWaalsContact C-N 3.27Å; L223-M225 PolarHBondContact O-N 3.05Å; L223-I226 WeakPolarHBondContact O-CB 3.44Å; L223-I226 PolarHBondContact O-N 2.99Å; L223-I226 VanDerWaalsContact O-N 3.12Å; L223-V227 HydrophobicContact CG-CG2 4.48Å; L223-V227 WeakPolarHBondContact O-CG2 3.42Å; L223-V227 PolarHBondContact O-N 3.01Å; L223-A255 WeakPolarHBondContact CD2-O 3.47Å; L223-P258 HydrophobicContact CB-CG 4.45Å; L223-P258 HydrophobicContact CD2-CB 4.34Å; L223-P258 HydrophobicContact CD2-CG 4.37Å; L223-P258 HydrophobicContact CG-CB 4.18Å; L223-P258 HydrophobicContact CG-CG 4.46Å; L223-L259 HydrophobicContact CD1-CD2 3.87Å; L223-L259 HydrophobicContact CD1-CG 4.46Å; L223-L259 HydrophobicContact CD2-CD2 4.23Å; L223-L259 HydrophobicContact CD2-CG 3.93Å; L223-L259 HydrophobicContact CG-CD2 4.31Å
224A98.7Very high97.9Very high20 Ų2039.5 Ų39.517%0.16520%0.199CC..Hα-helixtrans-61.1-37.1176.500000111.9K220 R228 P258K220-A224 WeakPolarHBondContact O-CB 3.45Å; K220-A224 PolarHBondContact O-N 3.25Å; A224-R228 WeakPolarHBondContact O-CB 3.28Å; A224-R228 VanDerWaalsContact O-CG 3.3Å; A224-R228 WeakPolarHBondContact O-CG 3.38Å; A224-R228 PolarHBondContact O-N 3.35Å; A224-P258 HydrophobicContact CB-CB 4.18Å; A224-P258 HydrophobicContact CB-CG 4Å
225M98.6Very high97.9Very high41 Ų4139.9 Ų39.920%0.20220%0.202CC..Hα-helixtrans-62.1-49.3171.6177.7-164.870.500111.5P184 T221 K222 L223 V227 R228 M229P184-M225 HydrophobicContact CB-CE 4.21Å; P184-M225 HydrophobicContact CB-SD 3.81Å; P184-M225 HydrophobicContact CG-SD 3.88Å; T221-M225 PolarHBondContact O-N 2.99Å; T221-M225 VanDerWaalsContact O-N 3.14Å; K222-M225 WeakPolarHBondContact O-CB 3.43Å; K222-M225 PolarHBondContact O-N 2.65Å; L223-M225 VanDerWaalsContact C-N 3.27Å; L223-M225 PolarHBondContact O-N 3.05Å; M225-V227 PolarHBondContact O-N 2.79Å; M225-R228 PolarHBondContact O-N 3.07Å; M225-M229 HydrophobicContact CG-SD 4.11Å; M225-M229 VanDerWaalsContact O-CG 3.31Å; M225-M229 WeakPolarHBondContact O-CG 3.44Å; M225-M229 PolarHBondContact O-N 2.63Å
226I98.7Very high98.1Very high1 Ų142.2 Ų42.21%0.00521%0.214CC..Hα-helixtrans-57.6-50178.5-67.9159.2000110.3P185 L209 I212 K222 L223 R228 M229 V230 T414 M415 I429P185-I226 HydrophobicContact CG-CG1 4.42Å; L209-I226 HydrophobicContact CD1-CG2 4.18Å; L209-I226 HydrophobicContact CD2-CG2 4.01Å; I212-I226 HydrophobicContact CG2-CD1 4.36Å; K222-I226 WeakPolarHBondContact O-CG1 3.24Å; K222-I226 PolarHBondContact O-N 2.86Å; L223-I226 WeakPolarHBondContact O-CB 3.44Å; L223-I226 PolarHBondContact O-N 2.99Å; L223-I226 VanDerWaalsContact O-N 3.12Å; I226-R228 VanDerWaalsContact C-N 3.34Å; I226-R228 PolarHBondContact O-N 3.48Å; I226-M229 WeakPolarHBondContact O-CA 3.37Å; I226-M229 WeakPolarHBondContact O-CB 3.43Å; I226-M229 PolarHBondContact O-N 3.03Å; I226-V230 HydrophobicContact CG2-CG2 4.35Å; I226-V230 WeakPolarHBondContact O-CG2 3.36Å; I226-V230 PolarHBondContact O-N 2.68Å; I226-T414 HydrophobicContact CD1-CG2 3.86Å; I226-T414 HydrophobicContact CG1-CG2 4.05Å; I226-T414 HydrophobicContact CG2-CG2 3.93Å; I226-M415 HydrophobicContact CD1-CG 3.66Å; I226-M415 HydrophobicContact CD1-SD 4.06Å; I226-I429 HydrophobicContact CG2-CD1 4.07Å
227V98.8Very high98.3Very high1 Ų142.3 Ų42.31%0.00621%0.214CC..Hα-helixtrans-58.8-43.4179.11680000111.5L223 M225 M229 V230 K231 P258 L259 E261 L262L223-V227 HydrophobicContact CG-CG2 4.48Å; L223-V227 WeakPolarHBondContact O-CG2 3.42Å; L223-V227 PolarHBondContact O-N 3.01Å; M225-V227 PolarHBondContact O-N 2.79Å; V227-M229 VanDerWaalsContact C-N 3.31Å; V227-M229 PolarHBondContact O-N 2.92Å; V227-V230 PolarHBondContact O-N 3.23Å; V227-K231 HydrophobicContact CG1-CD 3.94Å; V227-K231 HydrophobicContact CG1-CG 4.49Å; V227-K231 VanDerWaalsContact O-CG 3.3Å; V227-K231 WeakPolarHBondContact O-CG 3.23Å; V227-K231 PolarHBondContact O-N 3.29Å; V227-P258 WeakPolarHBondContact CG1-O 3.21Å; V227-P258 HydrophobicContact CG2-CB 4.12Å; V227-L259 HydrophobicContact CG2-CD2 4.29Å; V227-E261 HydrophobicContact CG1-CB 3.85Å; V227-L262 HydrophobicContact CB-CD2 4.45Å; V227-L262 HydrophobicContact CG1-CD2 4.15Å; V227-L262 HydrophobicContact CG2-CD2 4.15Å; V227-L262 HydrophobicContact CG2-CG 4.31Å
228R98.7Very high98.4Very high148 Ų14842.3 Ų42.356%0.55821%0.214SC*.Hα-helixtrans-59.9-41.5174.2-76.2-170.7-56.7-97.53.3112.2A224 M225 I226 K231 A232A224-R228 WeakPolarHBondContact O-CB 3.28Å; A224-R228 VanDerWaalsContact O-CG 3.3Å; A224-R228 WeakPolarHBondContact O-CG 3.38Å; A224-R228 PolarHBondContact O-N 3.35Å; M225-R228 PolarHBondContact O-N 3.07Å; I226-R228 VanDerWaalsContact C-N 3.34Å; I226-R228 PolarHBondContact O-N 3.48Å; R228-K231 PolarHBondContact O-N 3.37Å; R228-A232 PolarHBondContact O-N 2.94Å; R228-A232 VanDerWaalsContact O-N 3.12Å
229M98.8Very high98.4Very high43 Ų4342.3 Ų42.321%0.21221%0.214CC..Hα-helixtrans-64.8-45.1177.3-66.1174.971.600111.1P184 P185 V187 M225 I226 V227 K231 A232 L233 I429P184-M229 HydrophobicContact CB-CE 4.23Å; P184-M229 HydrophobicContact CB-SD 4.01Å; P185-M229 WeakPolarHBondContact O-CE 3.45Å; V187-M229 HydrophobicContact CG2-CE 4.17Å; M225-M229 HydrophobicContact CG-SD 4.11Å; M225-M229 VanDerWaalsContact O-CG 3.31Å; M225-M229 WeakPolarHBondContact O-CG 3.44Å; M225-M229 PolarHBondContact O-N 2.63Å; I226-M229 WeakPolarHBondContact O-CA 3.37Å; I226-M229 WeakPolarHBondContact O-CB 3.43Å; I226-M229 PolarHBondContact O-N 3.03Å; V227-M229 VanDerWaalsContact C-N 3.31Å; V227-M229 PolarHBondContact O-N 2.92Å; M229-K231 PolarHBondContact O-N 3.35Å; M229-A232 WeakPolarHBondContact O-CB 3.29Å; M229-A232 PolarHBondContact O-N 3.47Å; M229-A232 VanDerWaalsContact O-N 3.17Å; M229-L233 WeakPolarHBondContact O-CG 2.92Å; M229-L233 PolarHBondContact O-N 3.03Å; M229-I429 HydrophobicContact CB-CD1 3.76Å; M229-I429 HydrophobicContact CE-CD1 4.27Å; M229-I429 HydrophobicContact SD-CD1 4.27Å
230V98.8Very high98.5Very high2 Ų242.3 Ų42.31%0.01221%0.214CC..Hα-helixtrans-59-46.8175.9174.60000111.3V207 L209 I226 V227 A232 L233 P235 T238 L262 I429V207-V230 HydrophobicContact CB-CG1 4.4Å; V207-V230 HydrophobicContact CG1-CB 4.44Å; V207-V230 HydrophobicContact CG1-CG1 3.92Å; V207-V230 HydrophobicContact CG1-CG2 3.93Å; L209-V230 HydrophobicContact CD1-CG2 3.94Å; L209-V230 HydrophobicContact CD2-CG2 3.76Å; L209-V230 HydrophobicContact CG-CG2 4.26Å; I226-V230 HydrophobicContact CG2-CG2 4.35Å; I226-V230 WeakPolarHBondContact O-CG2 3.36Å; I226-V230 PolarHBondContact O-N 2.68Å; V227-V230 PolarHBondContact O-N 3.23Å; V230-A232 PolarHBondContact O-N 3.21Å; V230-L233 WeakPolarHBondContact O-CB 3.24Å; V230-L233 PolarHBondContact O-N 3.49Å; V230-P235 HydrophobicContact CG1-CG 3.97Å; V230-P235 VanDerWaalsContact O-CD 3.25Å; V230-P235 WeakPolarHBondContact O-CD 3.5Å; V230-T238 HydrophobicContact CG1-CG2 4.33Å; V230-L262 HydrophobicContact CB-CD2 4.05Å; V230-L262 HydrophobicContact CG1-CD2 3.75Å; V230-I429 HydrophobicContact CG2-CD1 4.35Å; V230-I429 HydrophobicContact CG2-CG2 4.32Å
231K98.3Very high98.5Very high97 Ų9739.9 Ų39.942%0.42220%0.203SC..Hα-helixtrans-59.3-36.3177.6-70.9169.376.1-177.80112.2V227 R228 M229 L233 K234 E261V227-K231 HydrophobicContact CG1-CD 3.94Å; V227-K231 HydrophobicContact CG1-CG 4.49Å; V227-K231 VanDerWaalsContact O-CG 3.3Å; V227-K231 WeakPolarHBondContact O-CG 3.23Å; V227-K231 PolarHBondContact O-N 3.29Å; R228-K231 PolarHBondContact O-N 3.37Å; M229-K231 PolarHBondContact O-N 3.35Å; K231-L233 PolarHBondContact O-N 3.27Å; K231-K234 PolarHBondContact O-N 2.62Å; K231-E261 HydrophobicContact CD-CB 4.2Å; K231-E261 IonicContact NZ-OE2 3.53Å; K231-E261 PolarHBondContact NZ-OE2 3.44Å
232A98.3Very high98.5Very high79 Ų7935.4 Ų35.465%0.65318%0.176SC*.Hα-helixtrans-65.8-26.6177.300000113.1R228 M229 V230 K234R228-A232 PolarHBondContact O-N 2.94Å; R228-A232 VanDerWaalsContact O-N 3.12Å; M229-A232 WeakPolarHBondContact O-CB 3.29Å; M229-A232 PolarHBondContact O-N 3.47Å; M229-A232 VanDerWaalsContact O-N 3.17Å; V230-A232 PolarHBondContact O-N 3.21Å; A232-K234 VanDerWaalsContact C-N 3.29Å
233L98.3Very high98.6Very high28 Ų2833.1 Ų33.115%0.14717%0.166CC..Hα-helixtrans-75.7-17.6176.5-58.1176.7000113.3V187 V207 M229 V230 K231 I429V187-L233 HydrophobicContact CG1-CD1 3.99Å; V187-L233 HydrophobicContact CG1-CD2 3.66Å; V187-L233 HydrophobicContact CG1-CG 4.48Å; V187-L233 HydrophobicContact CG2-CD1 4.38Å; V187-L233 HydrophobicContact CG2-CD2 4.23Å; V207-L233 HydrophobicContact CG1-CD1 4.42Å; V207-L233 HydrophobicContact CG2-CB 4.04Å; V207-L233 HydrophobicContact CG2-CD1 3.7Å; M229-L233 WeakPolarHBondContact O-CG 2.92Å; M229-L233 PolarHBondContact O-N 3.03Å; V230-L233 WeakPolarHBondContact O-CB 3.24Å; V230-L233 PolarHBondContact O-N 3.49Å; K231-L233 PolarHBondContact O-N 3.27Å; L233-I429 HydrophobicContact CD1-CG2 3.88Å
234K97.9Very high98.5Very high171 Ų17133.1 Ų33.174%0.74317%0.166SC*.  trans50.458-176.2-57.4177.8-178.3178.60112.2K231 A232K231-K234 PolarHBondContact O-N 2.62Å; A232-K234 VanDerWaalsContact C-N 3.29Å
235P98.4Very high98.4Very high9 Ų932.2 Ų32.26%0.05816%0.158CC..  trans-64.2146.1179.823.9-32.4000112.7V207 V230 I237 T238 P265V207-P235 HydrophobicContact CB-CB 3.91Å; V207-P235 HydrophobicContact CB-CG 4.27Å; V207-P235 HydrophobicContact CG2-CB 3.66Å; V207-P235 HydrophobicContact CG2-CG 4.09Å; V230-P235 HydrophobicContact CG1-CG 3.97Å; V230-P235 VanDerWaalsContact O-CD 3.25Å; V230-P235 WeakPolarHBondContact O-CD 3.5Å; P235-I237 WeakPolarHBondContact CB-O 3.42Å; P235-T238 WeakPolarHBondContact CG-OG1 3.22Å; P235-P265 VanDerWaalsContact O-CD 3.28Å; P235-P265 WeakPolarHBondContact O-CD 3.42Å
236D98.7Very high98.2Very high51 Ų5131 Ų3127%0.27315%0.152SC..SBendtrans-73.9-39.2165.8-61.1-58.6000110.4L204 K205 S264 L266L204-D236 HydrophobicContact CD2-CB 4.2Å; L204-D236 HydrophobicContact CG-CB 3.97Å; K205-D236 PolarHBondContact N-OD2 3.2Å; K205-D236 WeakPolarHBondContact O-CB 3.41Å; K205-D236 PolarHBondContact O-N 2.9Å; D236-S264 WeakPolarHBondContact O-CB 3.4Å; D236-L266 HydrophobicContact CB-CD1 4.09Å; D236-L266 WeakPolarHBondContact O-CA 3.46Å; D236-L266 VanDerWaalsContact O-CB 3.31Å; D236-L266 WeakPolarHBondContact O-CB 3.42Å; D236-L266 PolarHBondContact O-N 2.83Å
237I98.8Very high97.9Very high2 Ų230.9 Ų30.91%0.0115%0.152CC..EExtended strand (participates in β ladder)trans-131.4138.8176.9-57.2169.9000109.2L204 K205 V206 V207 P235 V239 L266 Y269 I304 F314L204-I237 HydrophobicContact CD1-CD1 4.49Å; L204-I237 HydrophobicContact CD2-CD1 3.68Å; L204-I237 HydrophobicContact CD2-CG1 4.14Å; K205-I237 PolarHBondContact O-N 2.6Å; K205-I237 VanDerWaalsContact O-N 3.11Å; V206-I237 CarbonylContact C-O 3.49Å; V206-I237 WeakPolarHBondContact CA-O 3.47Å; V206-I237 HydrophobicContact CG1-CB 4.32Å; V206-I237 HydrophobicContact CG1-CG2 4.33Å; V206-I237 HydrophobicContact CG2-CB 4.27Å; V206-I237 HydrophobicContact CG2-CD1 4.21Å; V207-I237 PolarHBondContact N-O 3.32Å; P235-I237 WeakPolarHBondContact CB-O 3.42Å; I237-V239 HydrophobicContact CG2-CG1 3.84Å; I237-L266 HydrophobicContact CD1-CB 4.37Å; I237-L266 HydrophobicContact CG1-CB 3.61Å; I237-L266 HydrophobicContact CG1-CD1 4.3Å; I237-Y269 HydrophobicContact CG2-CD2 3.81Å; I237-Y269 HydrophobicContact CG2-CE2 3.94Å; I237-I304 HydrophobicContact CD1-CG1 4.28Å; I237-I304 HydrophobicContact CD1-CG2 3.88Å; I237-F314 HydrophobicContact CD1-CE1 4.26Å; I237-F314 HydrophobicContact CD1-CZ 3.72Å
238T98.9Very high97.6Very high0 Ų031.9 Ų31.90%016%0.157CC..EExtended strand (participates in β ladder)trans-110.4134164.5-590000109.4V207 L209 V230 P235 L262 S264 G267 T268 Y269V207-T238 CarbonylContact O-C 3.58Å; V207-T238 WeakPolarHBondContact O-CA 3.48Å; L209-T238 HydrophobicContact CD1-CG2 4.28Å; V230-T238 HydrophobicContact CG1-CG2 4.33Å; P235-T238 WeakPolarHBondContact CG-OG1 3.22Å; T238-L262 HydrophobicContact CG2-CD1 4.27Å; T238-S264 PolarHBondContact N-OG 2.68Å; T238-S264 PolarHBondContact OG1-OG 3.32Å; T238-G267 PolarHBondContact N-O 3.32Å; T238-T268 HydrophobicContact CG2-CG2 4.07Å; T238-T268 CarbonylContact O-C 3.5Å; T238-T268 VanDerWaalsContact O-CA 3.23Å; T238-T268 WeakPolarHBondContact O-CA 3.4Å; T238-Y269 PolarHBondContact O-N 2.83Å
239V98.9Very high97.3Very high1 Ų125.1 Ų25.11%0.00613%0.132CC..EExtended strand (participates in β ladder)trans-123.6134.8174.1-59.60000109.9V206 V207 L208 L209 I237 V241 Y269 L316 L352 L373V206-V239 HydrophobicContact CG1-CG1 4.05Å; V206-V239 HydrophobicContact CG1-CG2 3.9Å; V207-V239 PolarHBondContact O-N 2.84Å; L208-V239 HydrophobicContact CB-CG2 4.07Å; L208-V239 HydrophobicContact CD1-CG2 3.74Å; L209-V239 PolarHBondContact N-O 2.73Å; I237-V239 HydrophobicContact CG2-CG1 3.84Å; V239-V241 HydrophobicContact CB-CG2 4.38Å; V239-V241 HydrophobicContact CG2-CG2 4.13Å; V239-Y269 CarbonylContact C-O 3.51Å; V239-Y269 WeakPolarHBondContact CA-O 3.08Å; V239-L316 HydrophobicContact CG1-CD2 4.49Å; V239-L352 HydrophobicContact CB-CD1 3.94Å; V239-L352 HydrophobicContact CB-CD2 4.12Å; V239-L352 HydrophobicContact CG1-CD1 3.87Å; V239-L352 HydrophobicContact CG1-CD2 4.1Å; V239-L352 HydrophobicContact CG2-CD2 4.17Å; V239-L373 HydrophobicContact CG2-CD1 3.98Å
240I98.9Very high96.9Very high0 Ų028.4 Ų28.40%015%0.151CC..EExtended strand (participates in β ladder)trans-111.9109.2173.4-56.4171.8000106.9L209 G242 L244 L259 L262 Y269 F270 V271 I294L209-I240 HydrophobicContact CB-CG1 4.25Å; L209-I240 HydrophobicContact CD1-CG1 4.26Å; L209-I240 CarbonylContact O-C 3.52Å; L209-I240 WeakPolarHBondContact O-CA 3.36Å; I240-G242 PolarHBondContact O-N 3.13Å; I240-L244 HydrophobicContact CG2-CB 4.39Å; I240-L244 HydrophobicContact CG2-CD1 4.37Å; I240-L259 HydrophobicContact CD1-CD2 4.33Å; I240-L262 HydrophobicContact CD1-CD1 4.31Å; I240-Y269 PolarHBondContact N-O 2.96Å; I240-F270 HydrophobicContact CB-CD2 3.87Å; I240-F270 HydrophobicContact CG2-CD2 3.7Å; I240-F270 HydrophobicContact CG2-CE2 4.09Å; I240-F270 VanDerWaalsContact O-CA 3.32Å; I240-F270 WeakPolarHBondContact O-CA 3.24Å; I240-F270 WeakPolarHBondContact O-CD2 3.25Å; I240-V271 PolarHBondContact O-N 2.59Å; I240-V271 VanDerWaalsContact O-N 3.09Å; I240-I294 HydrophobicContact CD1-CD1 4.23Å
241V98.8Very high96.5Very high0 Ų031.9 Ų31.90%017%0.168CC..EExtended strand (participates in β ladder)trans-103.176.9-170.8-179.80000109.7L208 L209 S210 V239 V271 L352 H354 L373L208-V241 HydrophobicContact CD1-CB 3.78Å; L208-V241 HydrophobicContact CD1-CG2 3.29Å; L209-V241 PolarHBondContact O-N 2.77Å; S210-V241 PolarHBondContact OG-O 2.81Å; V239-V241 HydrophobicContact CB-CG2 4.38Å; V239-V241 HydrophobicContact CG2-CG2 4.13Å; V241-V271 HydrophobicContact CB-CG2 4.29Å; V241-V271 HydrophobicContact CG1-CG2 3.97Å; V241-V271 HydrophobicContact CG2-CG2 4.47Å; V241-L352 HydrophobicContact CG2-CB 4.3Å; V241-L352 HydrophobicContact CG2-CD2 3.97Å; V241-L352 HydrophobicContact CG2-CG 4.48Å; V241-H354 HydrophobicContact CG1-CB 4.39Å; V241-H354 PolarHBondContact O-ND1 3.28Å; V241-L373 WeakPolarHBondContact CG1-O 3.42Å; V241-L373 HydrophobicContact CG2-CB 4.45Å
242G97.9Very high96.3Very high0 Ų027.3 Ų27.30%015%0.149CC..SBendtrans70.4168.9173.200000116.7D211 I240 L244 V271 H354D211-G242 PolarHBondContact N-O 3.47Å; D211-G242 VanDerWaalsContact N-O 3.11Å; I240-G242 PolarHBondContact O-N 3.13Å; G242-L244 VanDerWaalsContact C-N 3.27Å; G242-L244 PolarHBondContact O-N 3.28Å; G242-V271 WeakPolarHBondContact CA-O 3.31Å; G242-V271 PolarHBondContact N-O 2.93Å; G242-H354 WeakPolarHBondContact CA-ND1 3.31Å
243D98.3Very high96.1Very high2 Ų229.1 Ų29.11%0.01114%0.138CC..  trans50.846.4177.3-75.87.2000112.4D211 I212 H213 T245 G273 N274 H275 E276 H354D211-D243 CarbonylContact C-O 3.56Å; D211-D243 VanDerWaalsContact CA-O 3.29Å; D211-D243 WeakPolarHBondContact CA-O 3.49Å; D211-D243 HydrophobicContact CB-CB 4.43Å; I212-D243 PolarHBondContact N-O 3.16Å; H213-D243 IonicContact CE1-OD2 3.47Å; H213-D243 PolarHBondContact CE1-OD2 3.35Å; H213-D243 PolarHBondContact N-O 3.11Å; H213-D243 IonicContact NE2-OD2 2.9Å; D243-T245 VanDerWaalsContact C-N 3.28Å; D243-G273 VanDerWaalsContact OD1-C 3.3Å; D243-G273 WeakPolarHBondContact OD1-CA 3.33Å; D243-N274 PolarHBondContact OD1-N 2.9Å; D243-N274 PolarHBondContact OD2-OD1 2.88Å; D243-H275 HydrophobicContact CB-CB 4.47Å; D243-H275 VanDerWaalsContact CG-CD2 3.48Å; D243-H275 WeakPolarHBondContact OD1-CB 3.34Å; D243-H275 IonicContact OD1-CD2 3.72Å; D243-H275 IonicContact OD1-CG 3.65Å; D243-H275 PolarHBondContact OD1-N 3.45Å; D243-H275 IonicContact OD2-CD2 3.6Å; D243-H275 PolarHBondContact OD2-CD2 3.42Å; D243-H275 IonicContact OD2-CG 2.69Å; D243-H275 IonicContact OD2-NE2 3.44Å; D243-E276 PolarHBondContact N-OE2 3.47Å; D243-H354 VanDerWaalsContact CG-NE2 3.25Å; D243-H354 IonicContact OD1-NE2 3.81Å; D243-H354 IonicContact OD2-CE1 2.79Å; D243-H354 IonicContact OD2-NE2 3.62Å; D243-H354 PolarHBondContact OD2-NE2 2.82Å
244L98.1Very high95.9Very high0 Ų029.9 Ų29.90%015%0.145CC..  trans-69.5-31.8173.7175.461.6000110.5I212 H213 L214 I240 G242 L259 F270 E276 W285 L289I212-L244 HydrophobicContact CB-CD1 4.19Å; I212-L244 HydrophobicContact CD1-CD1 3.81Å; I212-L244 HydrophobicContact CG1-CD1 4.48Å; H213-L244 PolarHBondContact N-O 3.11Å; L214-L244 HydrophobicContact CD1-CD1 4.12Å; L214-L244 HydrophobicContact CD1-CG 4.47Å; L214-L244 PolarHBondContact N-O 2.86Å; I240-L244 HydrophobicContact CG2-CB 4.39Å; I240-L244 HydrophobicContact CG2-CD1 4.37Å; G242-L244 VanDerWaalsContact C-N 3.27Å; G242-L244 PolarHBondContact O-N 3.28Å; L244-L259 HydrophobicContact CD1-CD1 4.16Å; L244-L259 HydrophobicContact CD2-CD1 3.92Å; L244-F270 HydrophobicContact CB-CE2 3.87Å; L244-F270 HydrophobicContact CB-CZ 4.49Å; L244-F270 HydrophobicContact CD2-CE2 4.34Å; L244-E276 PolarHBondContact N-OE1 3.32Å; L244-W285 HydrophobicContact CD2-CE3 4.33Å; L244-W285 HydrophobicContact CD2-CZ3 4Å; L244-L289 HydrophobicContact CD2-CD1 4.19Å; L244-L289 HydrophobicContact CD2-CD2 3.76Å; L244-L289 HydrophobicContact CD2-CG 4.48Å
245T96.1Very high95.8Very high0 Ų021.9 Ų21.90%011%0.111CC..BIsolated β-bridgetrans-145.4149-168.7-172.20000115.9L214 D243 S247 I252 H275 E276 W285L214-T245 WeakPolarHBondContact O-CA 3.31Å; L214-T245 PolarHBondContact O-OG1 2.73Å; D243-T245 VanDerWaalsContact C-N 3.28Å; T245-S247 PolarHBondContact OG1-N 3.3Å; T245-S247 PolarHBondContact OG1-O 2.91Å; T245-I252 VanDerWaalsContact OG1-CD1 3.29Å; T245-I252 WeakPolarHBondContact OG1-CD1 3.43Å; T245-H275 WeakPolarHBondContact O-CB 3.48Å; T245-E276 HydrophobicContact CG2-CG 4.28Å; T245-E276 PolarHBondContact N-OE1 2.94Å; T245-E276 VanDerWaalsContact N-OE1 3.14Å; T245-W285 HydrophobicContact CG2-CD2 3.85Å; T245-W285 HydrophobicContact CG2-CE3 4.48Å; T245-W285 HydrophobicContact CG2-CG 4.33Å; T245-W285 HydrophobicContact CG2-CH2 4.03Å; T245-W285 HydrophobicContact CG2-CZ2 3.37Å; T245-W285 VanDerWaalsContact CG2-NE1 3.33Å; T245-W285 WeakPolarHBondContact OG1-CZ2 3.38Å
246D94.6Very high95.8Very high15 Ų1521.4 Ų21.48%0.0811%0.108CC..SBendtrans-107.19.4168.6-67.9-20.6000112.9V103 H213 L214 H275V103-D246 HydrophobicContact CG2-CB 4.49Å; H213-D246 IonicContact CE1-OD1 3.9Å; H213-D246 IonicContact CG-OD1 3.4Å; H213-D246 IonicContact CG-OD2 3.79Å; H213-D246 IonicContact ND1-OD1 3.32Å; H213-D246 PolarHBondContact ND1-OD1 3.43Å; H213-D246 IonicContact ND1-OD2 3.03Å; L214-D246 PolarHBondContact O-N 2.83Å; D246-H275 IonicContact OD1-CE1 3.35Å; D246-H275 IonicContact OD1-CG 3.04Å; D246-H275 IonicContact OD1-ND1 3.79Å; D246-H275 PolarHBondContact OD1-ND1 3.18Å
247S92.7Very high95.7Very high0 Ų023.3 Ų23.30%012%0.115CC..SBendtrans-138.1162.6-172.3-165.50000113.7T245 T279 W285T245-S247 PolarHBondContact OG1-N 3.3Å; T245-S247 PolarHBondContact OG1-O 2.91Å; S247-T279 WeakPolarHBondContact O-CG2 3.19Å; S247-W285 PolarHBondContact O-NE1 3.34Å
248E91.6Very high95.7Very high22 Ų2223.6 Ų23.610%0.10312%0.117CC..  trans-68145172.9-62.1174.1-132.800109.9R41 R45 D250 I251 I252 D281R41-E248 IonicContact NH1-OE2 3.49Å; R45-E248 IonicContact NH1-OE1 3.61Å; R45-E248 PolarHBondContact NH1-OE1 3.39Å; R45-E248 VanDerWaalsContact NH1-OE1 3.09Å; E248-D250 VanDerWaalsContact C-N 3.3Å; E248-D250 WeakPolarHBondContact CB-OD1 3.15Å; E248-D250 PolarHBondContact O-N 2.96Å; E248-I251 HydrophobicContact CB-CD1 4.06Å; E248-I251 HydrophobicContact CB-CG1 4.28Å; E248-I251 PolarHBondContact O-N 3.36Å; E248-I252 PolarHBondContact O-N 3.32Å; E248-D281 HydrophobicContact CB-CB 4.3Å; E248-D281 HydrophobicContact CG-CB 4.08Å
249A93Very high95.6Very high5 Ų523.6 Ų23.64%0.04112%0.117CC..Hα-helixtrans-64.9-34.4-168.500000112.6R253 D281 N284 W285 L288A249-R253 WeakPolarHBondContact O-CA 3.12Å; A249-R253 WeakPolarHBondContact O-CB 3.46Å; A249-R253 PolarHBondContact O-N 2.68Å; A249-D281 PolarHBondContact N-OD2 3.4Å; A249-N284 HydrophobicContact CB-CB 4.09Å; A249-W285 HydrophobicContact CB-CD2 3.89Å; A249-W285 HydrophobicContact CB-CG 4.01Å; A249-W285 HydrophobicContact CB-CZ2 4.29Å; A249-L288 HydrophobicContact CB-CD2 4.01Å
250D90.2Very high95.5Very high113 Ų11325.5 Ų25.560%0.60414%0.136SC*.Hα-helixtrans-69.4-36.917963-19.7000112.8E248E248-D250 VanDerWaalsContact C-N 3.3Å; E248-D250 WeakPolarHBondContact CB-OD1 3.15Å; E248-D250 PolarHBondContact O-N 2.96Å
251I90.5Very high95.5Very high75 Ų7530.1 Ų30.139%0.38516%0.158SC..Hα-helixtrans-65.6-40.3179.2-63.2176.6000111.2V107 E248V107-I251 HydrophobicContact CB-CG2 4.13Å; V107-I251 HydrophobicContact CG1-CG2 4.23Å; E248-I251 HydrophobicContact CB-CD1 4.06Å; E248-I251 HydrophobicContact CB-CG1 4.28Å; E248-I251 PolarHBondContact O-N 3.36Å
252I92.9Very high95.4Very high1 Ų130.6 Ų30.61%0.00516%0.161CC..Hα-helixtrans-112.99.4-171.364163.9000115V107 L214 T245 E248 P254 A255 V256 W285V107-I252 HydrophobicContact CG1-CG2 3.26Å; L214-I252 HydrophobicContact CB-CD1 3.63Å; T245-I252 VanDerWaalsContact OG1-CD1 3.29Å; T245-I252 WeakPolarHBondContact OG1-CD1 3.43Å; E248-I252 PolarHBondContact O-N 3.32Å; I252-P254 VanDerWaalsContact C-CD 3.41Å; I252-P254 VanDerWaalsContact C-N 3.29Å; I252-P254 VanDerWaalsContact O-N 3.08Å; I252-A255 HydrophobicContact CB-CB 4.39Å; I252-A255 WeakPolarHBondContact O-CA 3.44Å; I252-A255 VanDerWaalsContact O-CB 3.31Å; I252-A255 WeakPolarHBondContact O-CB 3.38Å; I252-A255 PolarHBondContact O-N 3.38Å; I252-V256 HydrophobicContact CD1-CG2 4.21Å; I252-V256 HydrophobicContact CG1-CG2 4.14Å; I252-V256 WeakPolarHBondContact O-CG2 3.35Å; I252-V256 PolarHBondContact O-N 2.94Å; I252-W285 HydrophobicContact CD1-CH2 3.63Å; I252-W285 HydrophobicContact CD1-CZ2 3.54Å; I252-W285 HydrophobicContact CG1-CH2 4Å; I252-W285 HydrophobicContact CG1-CZ2 3.8Å
253R94.3Very high95Very high116 Ų11637.4 Ų37.444%0.43820%0.197SC..Hα-helixtrans-42.7-46.9-180171.5179.2-97.4-87.13.5113.8A249 A255 V256 E257 L288A249-R253 WeakPolarHBondContact O-CA 3.12Å; A249-R253 WeakPolarHBondContact O-CB 3.46Å; A249-R253 PolarHBondContact O-N 2.68Å; R253-A255 VanDerWaalsContact C-N 3.28Å; R253-A255 PolarHBondContact O-N 2.97Å; R253-V256 WeakPolarHBondContact O-CB 3.13Å; R253-V256 PolarHBondContact O-N 2.85Å; R253-E257 PolarHBondContact O-N 3.36Å; R253-L288 HydrophobicContact CG-CD1 4.25Å; R253-L288 VanDerWaalsContact NH2-CD1 3.33Å
254P94.2Very high94.9Very high45 Ų4537.7 Ų37.729%0.29220%0.199SC..Hα-helixtrans-60.1-34.4177.7-24.935.7000114E109 K220 I252 V256E109-P254 HydrophobicContact CB-CB 4.21Å; E109-P254 HydrophobicContact CG-CB 3.91Å; K220-P254 WeakPolarHBondContact CD-O 3.48Å; K220-P254 WeakPolarHBondContact CE-O 3.33Å; K220-P254 PolarHBondContact NZ-O 2.98Å; I252-P254 VanDerWaalsContact C-CD 3.41Å; I252-P254 VanDerWaalsContact C-N 3.29Å; I252-P254 VanDerWaalsContact O-N 3.08Å; P254-V256 VanDerWaalsContact C-N 3.26Å; P254-V256 PolarHBondContact O-N 2.78Å
255A96.3Very high94.9Very high2 Ų242.6 Ų42.62%0.01723%0.231CC..Hα-helixtrans-68.7-26176.500000113K220 L223 I252 R253 P258K220-A255 HydrophobicContact CB-CB 4.34Å; L223-A255 WeakPolarHBondContact CD2-O 3.47Å; I252-A255 HydrophobicContact CB-CB 4.39Å; I252-A255 WeakPolarHBondContact O-CA 3.44Å; I252-A255 VanDerWaalsContact O-CB 3.31Å; I252-A255 WeakPolarHBondContact O-CB 3.38Å; I252-A255 PolarHBondContact O-N 3.38Å; R253-A255 VanDerWaalsContact C-N 3.28Å; R253-A255 PolarHBondContact O-N 2.97Å; A255-P258 WeakPolarHBondContact O-CD 3.35Å
256V97.3Very high95Very high0 Ų044 Ų440%024%0.238CC..Hα-helixtrans-84.8-22.8-176.6-170.70000112.2L214 I252 R253 P254 P258 L259 W285 L288 F292L214-V256 HydrophobicContact CD1-CG2 4.02Å; I252-V256 HydrophobicContact CD1-CG2 4.21Å; I252-V256 HydrophobicContact CG1-CG2 4.14Å; I252-V256 WeakPolarHBondContact O-CG2 3.35Å; I252-V256 PolarHBondContact O-N 2.94Å; R253-V256 WeakPolarHBondContact O-CB 3.13Å; R253-V256 PolarHBondContact O-N 2.85Å; P254-V256 VanDerWaalsContact C-N 3.26Å; P254-V256 PolarHBondContact O-N 2.78Å; V256-P258 VanDerWaalsContact C-N 3.28Å; V256-P258 WeakPolarHBondContact O-CD 3.19Å; V256-L259 HydrophobicContact CG1-CB 4.48Å; V256-L259 HydrophobicContact CG1-CD1 3.6Å; V256-L259 HydrophobicContact CG1-CG 4.15Å; V256-L259 VanDerWaalsContact O-CB 3.31Å; V256-L259 WeakPolarHBondContact O-CB 3.35Å; V256-L259 WeakPolarHBondContact O-CG 3.4Å; V256-L259 PolarHBondContact O-N 2.91Å; V256-W285 HydrophobicContact CG1-CH2 4.48Å; V256-W285 HydrophobicContact CG1-CZ3 3.99Å; V256-W285 HydrophobicContact CG2-CH2 3.44Å; V256-W285 VanDerWaalsContact CG2-CH2 3.44Å; V256-W285 HydrophobicContact CG2-CZ3 3.78Å; V256-L288 HydrophobicContact CB-CD2 4.21Å; V256-L288 HydrophobicContact CG1-CD2 4.07Å; V256-L288 HydrophobicContact CG1-CG 4.5Å; V256-L288 HydrophobicContact CG2-CD2 4.15Å; V256-F292 HydrophobicContact CB-CE2 4.28Å; V256-F292 HydrophobicContact CG1-CD2 4.27Å; V256-F292 HydrophobicContact CG1-CE2 3.76Å
257E96.9Very high95.1Very high91 Ų9144.4 Ų44.443%0.42525%0.246SC..G310 helixtrans-44.4-40.5-176.9-68.5174.3163.400115.5K220 R253 L259 G260K220-E257 IonicContact NZ-OE2 2.67Å; K220-E257 PolarHBondContact NZ-OE2 3.35Å; R253-E257 PolarHBondContact O-N 3.36Å; E257-L259 PolarHBondContact O-N 3.26Å; E257-G260 PolarHBondContact O-N 2.92Å
258P98.4Very high95.4Very high8 Ų844.6 Ų44.65%0.05225%0.247CC..G310 helixtrans-55-26.6177-26.734.9000114.6K220 L223 A224 V227 A255 V256 G260 E261K220-P258 HydrophobicContact CG-CG 3.83Å; L223-P258 HydrophobicContact CB-CG 4.45Å; L223-P258 HydrophobicContact CD2-CB 4.34Å; L223-P258 HydrophobicContact CD2-CG 4.37Å; L223-P258 HydrophobicContact CG-CB 4.18Å; L223-P258 HydrophobicContact CG-CG 4.46Å; A224-P258 HydrophobicContact CB-CB 4.18Å; A224-P258 HydrophobicContact CB-CG 4Å; V227-P258 WeakPolarHBondContact CG1-O 3.21Å; V227-P258 HydrophobicContact CG2-CB 4.12Å; A255-P258 WeakPolarHBondContact O-CD 3.35Å; V256-P258 VanDerWaalsContact C-N 3.28Å; V256-P258 WeakPolarHBondContact O-CD 3.19Å; P258-G260 PolarHBondContact O-N 3.37Å; P258-E261 WeakPolarHBondContact O-CB 3.37Å; P258-E261 PolarHBondContact O-N 3.02Å
259L98.2Very high95.8Very high0 Ų044.6 Ų44.60%025%0.246CC..G310 helixtrans-58.9-27.8175.9-70.2-172.5000113.1L223 V227 I240 L244 V256 E257 E261 L262 L289 F292 I294L223-L259 HydrophobicContact CD1-CD2 3.87Å; L223-L259 HydrophobicContact CD1-CG 4.46Å; L223-L259 HydrophobicContact CD2-CD2 4.23Å; L223-L259 HydrophobicContact CD2-CG 3.93Å; L223-L259 HydrophobicContact CG-CD2 4.31Å; V227-L259 HydrophobicContact CG2-CD2 4.29Å; I240-L259 HydrophobicContact CD1-CD2 4.33Å; L244-L259 HydrophobicContact CD1-CD1 4.16Å; L244-L259 HydrophobicContact CD2-CD1 3.92Å; V256-L259 HydrophobicContact CG1-CB 4.48Å; V256-L259 HydrophobicContact CG1-CD1 3.6Å; V256-L259 HydrophobicContact CG1-CG 4.15Å; V256-L259 VanDerWaalsContact O-CB 3.31Å; V256-L259 WeakPolarHBondContact O-CB 3.35Å; V256-L259 WeakPolarHBondContact O-CG 3.4Å; V256-L259 PolarHBondContact O-N 2.91Å; E257-L259 PolarHBondContact O-N 3.26Å; L259-E261 PolarHBondContact O-N 3.03Å; L259-E261 VanDerWaalsContact O-N 3.13Å; L259-L262 HydrophobicContact CD2-CD1 3.84Å; L259-L262 WeakPolarHBondContact O-CB 3.34Å; L259-L262 WeakPolarHBondContact O-CG 3.45Å; L259-L262 PolarHBondContact O-N 2.9Å; L259-L289 HydrophobicContact CD1-CD2 3.83Å; L259-F292 HydrophobicContact CB-CD2 4.34Å; L259-I294 HydrophobicContact CB-CD1 3.78Å; L259-I294 HydrophobicContact CD1-CD1 4.08Å; L259-I294 HydrophobicContact CG-CD1 4.37Å
260G97.3Very high96.1Very high40 Ų4044.4 Ų44.441%0.41225%0.245SC..G310 helixtrans-64.6-11.7176.100000114.3E257 P258E257-G260 PolarHBondContact O-N 2.92Å; P258-G260 PolarHBondContact O-N 3.37Å
261E97.8Very high96.5Very high98 Ų9839.1 Ų39.146%0.45822%0.216SC..G310 helixtrans-90.6-3.8173.3-58-175.9-139.300113.7V227 K231 P258 L259 N263V227-E261 HydrophobicContact CG1-CB 3.85Å; K231-E261 HydrophobicContact CD-CB 4.2Å; K231-E261 IonicContact NZ-OE2 3.53Å; K231-E261 PolarHBondContact NZ-OE2 3.44Å; P258-E261 WeakPolarHBondContact O-CB 3.37Å; P258-E261 PolarHBondContact O-N 3.02Å; L259-E261 PolarHBondContact O-N 3.03Å; L259-E261 VanDerWaalsContact O-N 3.13Å; E261-N263 PolarHBondContact O-N 2.96Å
262L96.6Very high96.9Very high10 Ų1035.6 Ų35.65%0.05220%0.198CC..  trans-69.7112.4170.6-65179.4000108.3V227 V230 T238 I240 L259 T268 I294V227-L262 HydrophobicContact CB-CD2 4.45Å; V227-L262 HydrophobicContact CG1-CD2 4.15Å; V227-L262 HydrophobicContact CG2-CD2 4.15Å; V227-L262 HydrophobicContact CG2-CG 4.31Å; V230-L262 HydrophobicContact CB-CD2 4.05Å; V230-L262 HydrophobicContact CG1-CD2 3.75Å; T238-L262 HydrophobicContact CG2-CD1 4.27Å; I240-L262 HydrophobicContact CD1-CD1 4.31Å; L259-L262 HydrophobicContact CD2-CD1 3.84Å; L259-L262 WeakPolarHBondContact O-CB 3.34Å; L259-L262 WeakPolarHBondContact O-CG 3.45Å; L259-L262 PolarHBondContact O-N 2.9Å; L262-T268 HydrophobicContact CB-CG2 4.49Å; L262-T268 HydrophobicContact CD1-CG2 4.25Å; L262-I294 HydrophobicContact CD1-CD1 4.33Å
263N88.8Confident97.1Very high143 Ų14335.5 Ų35.577%0.76520%0.198SC*.  trans-132.593.2178.5-171.5-9.2000108.9E261E261-N263 PolarHBondContact O-N 2.96Å
264S97.3Very high97.2Very high8 Ų830.4 Ų30.46%0.05618%0.179CC..  trans-101.5129175-680000109.4D236 T238 L266 G267D236-S264 WeakPolarHBondContact O-CB 3.4Å; T238-S264 PolarHBondContact N-OG 2.68Å; T238-S264 PolarHBondContact OG1-OG 3.32Å; S264-L266 PolarHBondContact O-N 3.38Å; S264-L266 VanDerWaalsContact O-N 3.12Å; S264-G267 VanDerWaalsContact CB-O 3.31Å; S264-G267 WeakPolarHBondContact CB-O 3.3Å; S264-G267 PolarHBondContact O-N 2.73Å
265P97.4Very high97.2Very high103 Ų10330 Ų3067%0.66917%0.173SC*.THydrogen-bonded Turntrans-55.7-32.1-174.5-2834.8000115.2P235P235-P265 VanDerWaalsContact O-CD 3.28Å; P235-P265 WeakPolarHBondContact O-CD 3.42Å
266L98.3Very high97.1Very high29 Ų2929.9 Ų29.915%0.15217%0.173CC..THydrogen-bonded Turntrans-101.211179.1-59.9179.1000112.9L204 D236 I237 S264 Y269 I304 P307L204-L266 HydrophobicContact CD1-CD1 3.66Å; L204-L266 HydrophobicContact CG-CD1 4.42Å; D236-L266 HydrophobicContact CB-CD1 4.09Å; D236-L266 WeakPolarHBondContact O-CA 3.46Å; D236-L266 VanDerWaalsContact O-CB 3.31Å; D236-L266 WeakPolarHBondContact O-CB 3.42Å; D236-L266 PolarHBondContact O-N 2.83Å; I237-L266 HydrophobicContact CD1-CB 4.37Å; I237-L266 HydrophobicContact CG1-CB 3.61Å; I237-L266 HydrophobicContact CG1-CD1 4.3Å; S264-L266 PolarHBondContact O-N 3.38Å; S264-L266 VanDerWaalsContact O-N 3.12Å; L266-Y269 WeakPolarHBondContact O-CE2 3.38Å; L266-Y269 PolarHBondContact O-OH 3.44Å; L266-I304 HydrophobicContact CB-CG2 4.14Å; L266-I304 HydrophobicContact CD1-CG2 3.89Å; L266-I304 HydrophobicContact CG-CG2 4.45Å; L266-P307 HydrophobicContact CD2-CG 3.97Å
267G98.3Very high96.9Very high23 Ų2329.9 Ų29.924%0.23717%0.173CC..  trans105.1165.9171.300000115.1T238 S264T238-G267 PolarHBondContact N-O 3.32Å; S264-G267 VanDerWaalsContact CB-O 3.31Å; S264-G267 WeakPolarHBondContact CB-O 3.3Å; S264-G267 PolarHBondContact O-N 2.73Å
268T98.8Very high96.5Very high5 Ų528.4 Ų28.43%0.03116%0.164CC..EExtended strand (participates in β ladder)trans-119.7127.4172.1-57.20000109.4T238 L262 I294 R295T238-T268 HydrophobicContact CG2-CG2 4.07Å; T238-T268 CarbonylContact O-C 3.5Å; T238-T268 VanDerWaalsContact O-CA 3.23Å; T238-T268 WeakPolarHBondContact O-CA 3.4Å; L262-T268 HydrophobicContact CB-CG2 4.49Å; L262-T268 HydrophobicContact CD1-CG2 4.25Å; T268-I294 HydrophobicContact CG2-CB 4.36Å; T268-I294 HydrophobicContact CG2-CD1 4.29Å; T268-I294 HydrophobicContact CG2-CG1 3.76Å; T268-I294 HydrophobicContact CG2-CG2 4.09Å; T268-R295 PolarHBondContact O-N 3.28Å
269Y98.9Very high95.8Very high21 Ų2128.1 Ų28.18%0.08216%0.162CC..EExtended strand (participates in β ladder)trans-123.7149.3-171.5-55.6-82.5000111.6I237 T238 V239 I240 L266 R295 L297 V302 I304 L316I237-Y269 HydrophobicContact CG2-CD2 3.81Å; I237-Y269 HydrophobicContact CG2-CE2 3.94Å; T238-Y269 PolarHBondContact O-N 2.83Å; V239-Y269 CarbonylContact C-O 3.51Å; V239-Y269 WeakPolarHBondContact CA-O 3.08Å; I240-Y269 PolarHBondContact N-O 2.96Å; L266-Y269 WeakPolarHBondContact O-CE2 3.38Å; L266-Y269 PolarHBondContact O-OH 3.44Å; Y269-R295 WeakPolarHBondContact CA-O 3.44Å; Y269-R295 HydrophobicContact CD1-CB 4.01Å; Y269-R295 HydrophobicContact CD1-CG 4.43Å; Y269-R295 HydrophobicContact CE1-CB 4.31Å; Y269-L297 HydrophobicContact CD1-CD1 4.2Å; Y269-L297 HydrophobicContact CD1-CD2 3.99Å; Y269-L297 HydrophobicContact CD1-CG 4.17Å; Y269-L297 HydrophobicContact CG-CD1 4.37Å; Y269-V302 HydrophobicContact CD1-CG1 4.25Å; Y269-V302 HydrophobicContact CE1-CB 4.38Å; Y269-V302 HydrophobicContact CE1-CG1 3.62Å; Y269-V302 HydrophobicContact CE1-CG2 4.47Å; Y269-I304 HydrophobicContact CE2-CD1 3.84Å; Y269-I304 VanDerWaalsContact OH-CD1 3.28Å; Y269-I304 WeakPolarHBondContact OH-CD1 3.35Å; Y269-L316 HydrophobicContact CD1-CD2 4.32Å; Y269-L316 HydrophobicContact CD2-CD2 3.35Å; Y269-L316 HydrophobicContact CE2-CD2 3.68Å; Y269-L316 HydrophobicContact CG-CD2 3.71Å
270F98.9Very high95.1Very high1 Ų128.7 Ų28.70%0.00417%0.166CC..EExtended strand (participates in β ladder)trans-131.8142.2-179.5172.1-103.4000111.1I240 L244 T272 E276 F286 L289 I294 R295 P296 L297I240-F270 HydrophobicContact CB-CD2 3.87Å; I240-F270 HydrophobicContact CG2-CD2 3.7Å; I240-F270 HydrophobicContact CG2-CE2 4.09Å; I240-F270 VanDerWaalsContact O-CA 3.32Å; I240-F270 WeakPolarHBondContact O-CA 3.24Å; I240-F270 WeakPolarHBondContact O-CD2 3.25Å; L244-F270 HydrophobicContact CB-CE2 3.87Å; L244-F270 HydrophobicContact CB-CZ 4.49Å; L244-F270 HydrophobicContact CD2-CE2 4.34Å; F270-T272 HydrophobicContact CE1-CG2 4.08Å; F270-E276 HydrophobicContact CZ-CG 3.94Å; F270-F286 HydrophobicContact CD1-CE1 4.24Å; F270-F286 HydrophobicContact CE1-CD1 4.33Å; F270-F286 AromaticContact CE1-CE1 3.93Å; F270-F286 HydrophobicContact CE1-CE1 3.93Å; F270-L289 HydrophobicContact CB-CD1 4.16Å; F270-L289 HydrophobicContact CD1-CD1 3.49Å; F270-L289 VanDerWaalsContact CD1-CD1 3.49Å; F270-L289 HydrophobicContact CD2-CD1 4.13Å; F270-L289 HydrophobicContact CE1-CD1 3.83Å; F270-L289 HydrophobicContact CE2-CD1 4.43Å; F270-L289 HydrophobicContact CG-CD1 3.65Å; F270-L289 HydrophobicContact CZ-CD1 4.29Å; F270-I294 HydrophobicContact CB-CG2 3.86Å; F270-R295 PolarHBondContact N-O 3.16Å; F270-P296 HydrophobicContact CD1-CB 4.22Å; F270-P296 CarbonylContact O-C 3.34Å; F270-P296 WeakPolarHBondContact O-CA 3.44Å; F270-L297 PolarHBondContact O-N 2.69Å
271V98.9Very high94.7Very high2 Ų227 Ų271%0.01215%0.147CC..EExtended strand (participates in β ladder)trans-125.2151.7161.6-68.10000109.3I240 V241 G242 L297 G318 L352I240-V271 PolarHBondContact O-N 2.59Å; I240-V271 VanDerWaalsContact O-N 3.09Å; V241-V271 HydrophobicContact CB-CG2 4.29Å; V241-V271 HydrophobicContact CG1-CG2 3.97Å; V241-V271 HydrophobicContact CG2-CG2 4.47Å; G242-V271 WeakPolarHBondContact CA-O 3.31Å; G242-V271 PolarHBondContact N-O 2.93Å; V271-L297 HydrophobicContact CG1-CB 4.1Å; V271-G318 VanDerWaalsContact CG1-CA 3.46Å; V271-L352 HydrophobicContact CB-CB 4.45Å; V271-L352 HydrophobicContact CG1-CB 3.72Å; V271-L352 HydrophobicContact CG1-CD1 4.34Å; V271-L352 HydrophobicContact CG2-CB 3.83Å
272T98.6Very high94.5Very high1 Ų122.3 Ų22.31%0.00613%0.125CC..  trans-70147.1176.856.50000111.4F270 E276 Y277 V282 F286 D320 D321 H354F270-T272 HydrophobicContact CE1-CG2 4.08Å; T272-E276 HydrophobicContact CG2-CB 4.27Å; T272-Y277 HydrophobicContact CG2-CE2 4.19Å; T272-Y277 WeakPolarHBondContact OG1-CE2 3.36Å; T272-Y277 PolarHBondContact OG1-OH 2.87Å; T272-V282 HydrophobicContact CG2-CG1 3.82Å; T272-F286 HydrophobicContact CG2-CE1 3.61Å; T272-F286 HydrophobicContact CG2-CZ 3.79Å; T272-D320 WeakPolarHBondContact OG1-CA 3.42Å; T272-D321 PolarHBondContact OG1-N 3.11Å; T272-H354 WeakPolarHBondContact O-CB 3.36Å
273G98.1Very high94.3Very high0 Ų023.7 Ų23.70%014%0.142CC..  trans-104.3-172.2158.100000110.9D243 H275 E276 Y277 D321 H354D243-G273 VanDerWaalsContact OD1-C 3.3Å; D243-G273 WeakPolarHBondContact OD1-CA 3.33Å; G273-H275 VanDerWaalsContact C-N 3.3Å; G273-H275 PolarHBondContact O-N 3.4Å; G273-E276 WeakPolarHBondContact CA-OE2 3.26Å; G273-E276 PolarHBondContact N-OE2 3.41Å; G273-Y277 VanDerWaalsContact O-CD2 3.22Å; G273-Y277 WeakPolarHBondContact O-CD2 3.37Å; G273-Y277 WeakPolarHBondContact O-CE2 3.38Å; G273-D321 VanDerWaalsContact C-CB 3.5Å; G273-H354 WeakPolarHBondContact CA-CD2 3.46Å; G273-H354 VanDerWaalsContact CA-CG 3.48Å
274N95.8Very high94.6Very high8 Ų821 Ų214%0.04313%0.128CC..Hα-helixtrans-69.6-29.1-177.552.7-72.5000112.2D243 E276 Y277 Y278 D321 E323 H354 H376D243-N274 PolarHBondContact OD1-N 2.9Å; D243-N274 PolarHBondContact OD2-OD1 2.88Å; N274-E276 PolarHBondContact O-N 2.93Å; N274-Y277 PolarHBondContact O-N 2.87Å; N274-Y278 HydrophobicContact CB-CE2 4.36Å; N274-Y278 WeakPolarHBondContact ND2-CE2 3.39Å; N274-Y278 PolarHBondContact O-N 2.93Å; N274-D321 WeakPolarHBondContact CB-OD1 3.36Å; N274-E323 HydrophobicContact CB-CB 3.6Å; N274-E323 HydrophobicContact CB-CG 3.86Å; N274-H354 PolarHBondContact OD1-NE2 3.45Å; N274-H376 PolarHBondContact OD1-CE1 3.28Å; N274-H376 PolarHBondContact OD1-ND1 3.47Å
275H94.8Very high94.6Very high36 Ų3620.8 Ų20.817%0.16713%0.125CC..Hα-helixtrans-70.6-31.4-178-78.2-115.3000113.4H213 D243 T245 D246 G273 Y277 Y278 T279H213-H275 AromaticContact CE1-CD2 3.6Å; H213-H275 AromaticContact CE1-CE1 3.56Å; H213-H275 AromaticContact CE1-CG 3.61Å; H213-H275 AromaticContact CE1-ND1 3.59Å; H213-H275 AromaticContact CE1-NE2 3.62Å; H213-H275 AromaticContact ND1-CE1 3.77Å; H213-H275 AromaticContact ND1-CG 3.85Å; H213-H275 AromaticContact ND1-ND1 3.52Å; D243-H275 HydrophobicContact CB-CB 4.47Å; D243-H275 VanDerWaalsContact CG-CD2 3.48Å; D243-H275 WeakPolarHBondContact OD1-CB 3.34Å; D243-H275 IonicContact OD1-CD2 3.72Å; D243-H275 IonicContact OD1-CG 3.65Å; D243-H275 PolarHBondContact OD1-N 3.45Å; D243-H275 IonicContact OD2-CD2 3.6Å; D243-H275 PolarHBondContact OD2-CD2 3.42Å; D243-H275 IonicContact OD2-CG 2.69Å; D243-H275 IonicContact OD2-NE2 3.44Å; T245-H275 WeakPolarHBondContact O-CB 3.48Å; D246-H275 IonicContact OD1-CE1 3.35Å; D246-H275 IonicContact OD1-CG 3.04Å; D246-H275 IonicContact OD1-ND1 3.79Å; D246-H275 PolarHBondContact OD1-ND1 3.18Å; G273-H275 VanDerWaalsContact C-N 3.3Å; G273-H275 PolarHBondContact O-N 3.4Å; H275-Y277 PolarHBondContact O-N 3.22Å; H275-Y278 PolarHBondContact O-N 3.25Å; H275-Y278 VanDerWaalsContact O-N 3.08Å; H275-T279 WeakPolarHBondContact O-CG2 3.44Å; H275-T279 PolarHBondContact O-N 3.25Å; H275-T279 VanDerWaalsContact O-N 3.12Å
276E94.5Very high94.6Very high1 Ų116.8 Ų16.81%0.00510%0.097CC..Hα-helixtrans-57.6-36.6172.1-81.375.2-131.400111.5D243 L244 T245 F270 T272 G273 N274 T279 S280 V282D243-E276 PolarHBondContact N-OE2 3.47Å; L244-E276 PolarHBondContact N-OE1 3.32Å; T245-E276 HydrophobicContact CG2-CG 4.28Å; T245-E276 PolarHBondContact N-OE1 2.94Å; T245-E276 VanDerWaalsContact N-OE1 3.14Å; F270-E276 HydrophobicContact CZ-CG 3.94Å; T272-E276 HydrophobicContact CG2-CB 4.27Å; G273-E276 WeakPolarHBondContact CA-OE2 3.26Å; G273-E276 PolarHBondContact N-OE2 3.41Å; N274-E276 PolarHBondContact O-N 2.93Å; E276-T279 PolarHBondContact O-OG1 3.24Å; E276-S280 PolarHBondContact O-N 3.02Å; E276-V282 HydrophobicContact CB-CG2 4.23Å; E276-V282 WeakPolarHBondContact O-CG2 3.37Å
277Y92.5Very high94.6Very high0 Ų020.7 Ų20.70%012%0.115CC..Hα-helixtrans-77.8-28176.8-60.5-75.6000113.5T272 G273 N274 H275 T279 S280 V282 D320 D321 A324 Y329 H332T272-Y277 HydrophobicContact CG2-CE2 4.19Å; T272-Y277 WeakPolarHBondContact OG1-CE2 3.36Å; T272-Y277 PolarHBondContact OG1-OH 2.87Å; G273-Y277 VanDerWaalsContact O-CD2 3.22Å; G273-Y277 WeakPolarHBondContact O-CD2 3.37Å; G273-Y277 WeakPolarHBondContact O-CE2 3.38Å; N274-Y277 PolarHBondContact O-N 2.87Å; H275-Y277 PolarHBondContact O-N 3.22Å; Y277-T279 VanDerWaalsContact C-N 3.34Å; Y277-S280 WeakPolarHBondContact O-CA 3.39Å; Y277-S280 PolarHBondContact O-N 2.77Å; Y277-S280 PolarHBondContact O-OG 2.96Å; Y277-V282 HydrophobicContact CD1-CG2 3.71Å; Y277-V282 HydrophobicContact CE1-CG2 3.77Å; Y277-V282 HydrophobicContact CG-CG2 4.36Å; Y277-D320 WeakPolarHBondContact OH-CB 3.4Å; Y277-D320 VanDerWaalsContact OH-CG 3.24Å; Y277-D320 PolarHBondContact OH-OD2 3.49Å; Y277-D321 HydrophobicContact CD2-CB 4.01Å; Y277-D321 HydrophobicContact CE2-CB 3.55Å; Y277-A324 HydrophobicContact CD1-CB 3.73Å; Y277-A324 HydrophobicContact CD2-CB 4.16Å; Y277-A324 HydrophobicContact CE1-CB 3.47Å; Y277-A324 VanDerWaalsContact CE1-CB 3.47Å; Y277-A324 HydrophobicContact CE2-CB 3.95Å; Y277-A324 HydrophobicContact CG-CB 4.08Å; Y277-Y329 HydrophobicContact CD1-CD1 4.29Å; Y277-Y329 HydrophobicContact CD1-CD2 4.03Å; Y277-Y329 AromaticContact CD1-CG 3.89Å; Y277-Y329 HydrophobicContact CD1-CG 3.89Å; Y277-Y329 HydrophobicContact CE1-CD1 4.34Å; Y277-Y329 HydrophobicContact CE1-CG 4.34Å; Y277-H332 HydrophobicContact CE1-CB 3.61Å; Y277-H332 AromaticContact CE1-CG 3.7Å; Y277-H332 AromaticContact CE1-ND1 3.66Å; Y277-H332 AromaticContact CZ-ND1 3.91Å; Y277-H332 PolarHBondContact OH-ND1 3.45Å
278Y88.2Confident94.5Very high59 Ų5919.9 Ų19.923%0.23111%0.105CC..Hα-helixtrans-67.5-32.5173.6-62-22000113.1N274 H275 E323 L327N274-Y278 HydrophobicContact CB-CE2 4.36Å; N274-Y278 WeakPolarHBondContact ND2-CE2 3.39Å; N274-Y278 PolarHBondContact O-N 2.93Å; H275-Y278 PolarHBondContact O-N 3.25Å; H275-Y278 VanDerWaalsContact O-N 3.08Å; Y278-E323 HydrophobicContact CD1-CG 4.49Å; Y278-E323 HydrophobicContact CE1-CG 3.58Å; Y278-E323 WeakPolarHBondContact CE1-OE1 3.1Å; Y278-E323 PolarHBondContact OH-OE1 3.01Å; Y278-L327 HydrophobicContact CD1-CD1 3.92Å; Y278-L327 HydrophobicContact CE1-CD1 4.07Å
279T83.9Confident94.5Very high2 Ų219.7 Ų19.71%0.01210%0.104CC..Hα-helixtrans-72.2-25.7168.773.30000111.6S247 H275 E276 Y277 D281S247-T279 WeakPolarHBondContact O-CG2 3.19Å; H275-T279 WeakPolarHBondContact O-CG2 3.44Å; H275-T279 PolarHBondContact O-N 3.25Å; H275-T279 VanDerWaalsContact O-N 3.12Å; E276-T279 PolarHBondContact O-OG1 3.24Å; Y277-T279 VanDerWaalsContact C-N 3.34Å; T279-D281 PolarHBondContact O-N 2.81Å; T279-D281 PolarHBondContact OG1-N 2.67Å
280S82.7Confident94.5Very high12 Ų1223.4 Ų23.48%0.08412%0.121CC..THydrogen-bonded Turntrans57.924.7-176-66.60000113.6R41 E276 Y277 Y329R41-S280 VanDerWaalsContact CD-CB 3.43Å; R41-S280 WeakPolarHBondContact CD-O 3.5Å; E276-S280 PolarHBondContact O-N 3.02Å; Y277-S280 WeakPolarHBondContact O-CA 3.39Å; Y277-S280 PolarHBondContact O-N 2.77Å; Y277-S280 PolarHBondContact O-OG 2.96Å; S280-Y329 PolarHBondContact O-OH 3.31Å; S280-Y329 VanDerWaalsContact O-OH 3.09Å
281D89.1Confident94.4Very high5 Ų526.6 Ų26.63%0.02714%0.143CC..  trans-115.125.2-175.2-16046.5000112.8R41 E248 A249 T279 G283 N284 W285R41-D281 IonicContact NH1-OD1 2.83Å; R41-D281 PolarHBondContact NH1-OD1 3.39Å; E248-D281 HydrophobicContact CB-CB 4.3Å; E248-D281 HydrophobicContact CG-CB 4.08Å; A249-D281 PolarHBondContact N-OD2 3.4Å; T279-D281 PolarHBondContact O-N 2.81Å; T279-D281 PolarHBondContact OG1-N 2.67Å; D281-G283 VanDerWaalsContact C-N 3.3Å; D281-G283 PolarHBondContact O-N 2.88Å; D281-N284 PolarHBondContact O-N 3.25Å; D281-N284 VanDerWaalsContact O-N 3.11Å; D281-N284 PolarHBondContact OD1-ND2 2.9Å; D281-N284 WeakPolarHBondContact OD2-CB 3.45Å; D281-W285 PolarHBondContact O-N 3.14Å; D281-W285 VanDerWaalsContact O-N 3.1Å
282V93.4Very high94.3Very high0 Ų028 Ų280%015%0.149CC..Hα-helixtrans-53.5-42.7-171.2-173.10000112.9T272 E276 Y277 N284 W285 F286T272-V282 HydrophobicContact CG2-CG1 3.82Å; E276-V282 HydrophobicContact CB-CG2 4.23Å; E276-V282 WeakPolarHBondContact O-CG2 3.37Å; Y277-V282 HydrophobicContact CD1-CG2 3.71Å; Y277-V282 HydrophobicContact CE1-CG2 3.77Å; Y277-V282 HydrophobicContact CG-CG2 4.36Å; V282-N284 PolarHBondContact O-N 2.66Å; V282-W285 WeakPolarHBondContact O-CB 3.25Å; V282-W285 PolarHBondContact O-N 3.41Å; V282-F286 HydrophobicContact CG1-CD1 4.08Å; V282-F286 HydrophobicContact CG1-CE1 3.59Å; V282-F286 HydrophobicContact CG1-CE2 4.15Å; V282-F286 HydrophobicContact CG1-CZ 3.64Å; V282-F286 WeakPolarHBondContact O-CD1 3.18Å; V282-F286 WeakPolarHBondContact O-CG 3.21Å; V282-F286 PolarHBondContact O-N 2.95Å
283G93.6Very high94.3Very high38 Ų3834.9 Ų34.939%0.39219%0.186SC..Hα-helixtrans-61.2-44.6179.300000113.2D281 W285 F286 E287D281-G283 VanDerWaalsContact C-N 3.3Å; D281-G283 PolarHBondContact O-N 2.88Å; G283-W285 VanDerWaalsContact C-N 3.32Å; G283-W285 PolarHBondContact O-N 2.81Å; G283-F286 PolarHBondContact O-N 3.16Å; G283-E287 PolarHBondContact O-N 3.04Å; G283-E287 VanDerWaalsContact O-N 3.1Å
284N94.9Very high94.3Very high88 Ų8835 Ų3547%0.47119%0.186SC..Hα-helixtrans-67.8-35.7177.3-73.2-31.9000111.6A249 D281 V282 E287 L288A249-N284 HydrophobicContact CB-CB 4.09Å; D281-N284 PolarHBondContact O-N 3.25Å; D281-N284 VanDerWaalsContact O-N 3.11Å; D281-N284 PolarHBondContact OD1-ND2 2.9Å; D281-N284 WeakPolarHBondContact OD2-CB 3.45Å; V282-N284 PolarHBondContact O-N 2.66Å; N284-E287 PolarHBondContact O-N 3.16Å; N284-L288 WeakPolarHBondContact O-CB 3.32Å; N284-L288 PolarHBondContact O-N 3.34Å
285W96.7Very high94.4Very high2 Ų239.4 Ų39.41%0.00820%0.202CC..Hα-helixtrans-61.7-43.9171.7-88.2107.3000112.6L244 T245 S247 A249 I252 V256 D281 V282 G283 E287 L288 L289L244-W285 HydrophobicContact CD2-CE3 4.33Å; L244-W285 HydrophobicContact CD2-CZ3 4Å; T245-W285 HydrophobicContact CG2-CD2 3.85Å; T245-W285 HydrophobicContact CG2-CE3 4.48Å; T245-W285 HydrophobicContact CG2-CG 4.33Å; T245-W285 HydrophobicContact CG2-CH2 4.03Å; T245-W285 HydrophobicContact CG2-CZ2 3.37Å; T245-W285 VanDerWaalsContact CG2-NE1 3.33Å; T245-W285 WeakPolarHBondContact OG1-CZ2 3.38Å; S247-W285 PolarHBondContact O-NE1 3.34Å; A249-W285 HydrophobicContact CB-CD2 3.89Å; A249-W285 HydrophobicContact CB-CG 4.01Å; A249-W285 HydrophobicContact CB-CZ2 4.29Å; I252-W285 HydrophobicContact CD1-CH2 3.63Å; I252-W285 HydrophobicContact CD1-CZ2 3.54Å; I252-W285 HydrophobicContact CG1-CH2 4Å; I252-W285 HydrophobicContact CG1-CZ2 3.8Å; V256-W285 HydrophobicContact CG1-CH2 4.48Å; V256-W285 HydrophobicContact CG1-CZ3 3.99Å; V256-W285 HydrophobicContact CG2-CH2 3.44Å; V256-W285 VanDerWaalsContact CG2-CH2 3.44Å; V256-W285 HydrophobicContact CG2-CZ3 3.78Å; D281-W285 PolarHBondContact O-N 3.14Å; D281-W285 VanDerWaalsContact O-N 3.1Å; V282-W285 WeakPolarHBondContact O-CB 3.25Å; V282-W285 PolarHBondContact O-N 3.41Å; G283-W285 VanDerWaalsContact C-N 3.32Å; G283-W285 PolarHBondContact O-N 2.81Å; W285-E287 PolarHBondContact O-N 3.26Å; W285-L288 HydrophobicContact CE3-CD2 4.17Å; W285-L288 HydrophobicContact CH2-CD2 4.46Å; W285-L288 HydrophobicContact CZ3-CD2 3.97Å; W285-L288 PolarHBondContact O-N 2.61Å; W285-L289 HydrophobicContact CE3-CG 4.46Å; W285-L289 WeakPolarHBondContact O-CB 3.37Å; W285-L289 VanDerWaalsContact O-CG 3.26Å; W285-L289 WeakPolarHBondContact O-CG 3.29Å; W285-L289 PolarHBondContact O-N 3.13Å
286F97.6Very high94.6Very high19 Ų1938 Ų388%0.08320%0.197CC..Hα-helixtrans-60-45.2175.6-75.54.7000111.7F270 T272 V282 G283 L289 K290 P296 H298 H332F270-F286 HydrophobicContact CD1-CE1 4.24Å; F270-F286 HydrophobicContact CE1-CD1 4.33Å; F270-F286 AromaticContact CE1-CE1 3.93Å; F270-F286 HydrophobicContact CE1-CE1 3.93Å; T272-F286 HydrophobicContact CG2-CE1 3.61Å; T272-F286 HydrophobicContact CG2-CZ 3.79Å; V282-F286 HydrophobicContact CG1-CD1 4.08Å; V282-F286 HydrophobicContact CG1-CE1 3.59Å; V282-F286 HydrophobicContact CG1-CE2 4.15Å; V282-F286 HydrophobicContact CG1-CZ 3.64Å; V282-F286 WeakPolarHBondContact O-CD1 3.18Å; V282-F286 WeakPolarHBondContact O-CG 3.21Å; V282-F286 PolarHBondContact O-N 2.95Å; G283-F286 PolarHBondContact O-N 3.16Å; F286-L289 PolarHBondContact O-N 3.32Å; F286-K290 WeakPolarHBondContact O-CB 3.46Å; F286-K290 WeakPolarHBondContact O-CG 3.44Å; F286-K290 PolarHBondContact O-N 3.27Å; F286-P296 HydrophobicContact CB-CB 4.49Å; F286-P296 HydrophobicContact CB-CG 3.92Å; F286-P296 HydrophobicContact CD1-CB 3.67Å; F286-P296 HydrophobicContact CD1-CG 3.77Å; F286-P296 HydrophobicContact CD2-CB 4.2Å; F286-P296 HydrophobicContact CE1-CB 3.82Å; F286-P296 HydrophobicContact CE1-CG 4.42Å; F286-P296 HydrophobicContact CE2-CB 4.35Å; F286-P296 HydrophobicContact CG-CB 3.87Å; F286-P296 HydrophobicContact CG-CG 3.82Å; F286-P296 HydrophobicContact CZ-CB 4.16Å; F286-H298 HydrophobicContact CE2-CB 3.69Å; F286-H298 AromaticContact CE2-CG 3.83Å; F286-H298 HydrophobicContact CZ-CB 4.11Å; F286-H332 AromaticContact CE2-CE1 3.97Å
287E97.8Very high94.8Very high112 Ų11238 Ų3852%0.52320%0.197SC..Hα-helixtrans-65.7-40.6177.8-66.3-52.5122.300112.5G283 N284 W285 K290 S291G283-E287 PolarHBondContact O-N 3.04Å; G283-E287 VanDerWaalsContact O-N 3.1Å; N284-E287 PolarHBondContact O-N 3.16Å; W285-E287 PolarHBondContact O-N 3.26Å; E287-K290 PolarHBondContact O-N 3.25Å; E287-K290 IonicContact OE1-NZ 2.76Å; E287-K290 PolarHBondContact OE1-NZ 3.28Å; E287-S291 PolarHBondContact O-N 3.36Å; E287-S291 VanDerWaalsContact O-N 3.08Å
288L97.7Very high95.1Very high6 Ų639.9 Ų39.93%0.03121%0.205CC..Hα-helixtrans-61-47.7174.9178.360.4000111.5A249 R253 V256 N284 W285 S291 F292A249-L288 HydrophobicContact CB-CD2 4.01Å; R253-L288 HydrophobicContact CG-CD1 4.25Å; R253-L288 VanDerWaalsContact NH2-CD1 3.33Å; V256-L288 HydrophobicContact CB-CD2 4.21Å; V256-L288 HydrophobicContact CG1-CD2 4.07Å; V256-L288 HydrophobicContact CG1-CG 4.5Å; V256-L288 HydrophobicContact CG2-CD2 4.15Å; N284-L288 WeakPolarHBondContact O-CB 3.32Å; N284-L288 PolarHBondContact O-N 3.34Å; W285-L288 HydrophobicContact CE3-CD2 4.17Å; W285-L288 HydrophobicContact CH2-CD2 4.46Å; W285-L288 HydrophobicContact CZ3-CD2 3.97Å; W285-L288 PolarHBondContact O-N 2.61Å; L288-S291 WeakPolarHBondContact O-CB 3.46Å; L288-S291 PolarHBondContact O-N 2.82Å; L288-S291 PolarHBondContact O-OG 2.99Å; L288-F292 HydrophobicContact CD1-CD2 4.4Å; L288-F292 HydrophobicContact CD1-CE2 3.59Å; L288-F292 HydrophobicContact CD1-CZ 3.92Å; L288-F292 HydrophobicContact CG-CD2 4.46Å; L288-F292 HydrophobicContact CG-CE2 3.92Å; L288-F292 WeakPolarHBondContact O-CD2 3.33Å; L288-F292 PolarHBondContact O-N 3.13Å
289L98.1Very high95.6Very high0 Ų037.4 Ų37.40%020%0.196CC..Hα-helixtrans-64.4-41.8179.9-71.1175.3000112.1L244 L259 F270 W285 F286 S291 F292 N293 I294 P296L244-L289 HydrophobicContact CD2-CD1 4.19Å; L244-L289 HydrophobicContact CD2-CD2 3.76Å; L244-L289 HydrophobicContact CD2-CG 4.48Å; L259-L289 HydrophobicContact CD1-CD2 3.83Å; F270-L289 HydrophobicContact CB-CD1 4.16Å; F270-L289 HydrophobicContact CD1-CD1 3.49Å; F270-L289 VanDerWaalsContact CD1-CD1 3.49Å; F270-L289 HydrophobicContact CD2-CD1 4.13Å; F270-L289 HydrophobicContact CE1-CD1 3.83Å; F270-L289 HydrophobicContact CE2-CD1 4.43Å; F270-L289 HydrophobicContact CG-CD1 3.65Å; F270-L289 HydrophobicContact CZ-CD1 4.29Å; W285-L289 HydrophobicContact CE3-CG 4.46Å; W285-L289 WeakPolarHBondContact O-CB 3.37Å; W285-L289 VanDerWaalsContact O-CG 3.26Å; W285-L289 WeakPolarHBondContact O-CG 3.29Å; W285-L289 PolarHBondContact O-N 3.13Å; F286-L289 PolarHBondContact O-N 3.32Å; L289-S291 PolarHBondContact O-N 3.3Å; L289-F292 CarbonylContact O-C 3.58Å; L289-F292 WeakPolarHBondContact O-CA 3.49Å; L289-F292 WeakPolarHBondContact O-CB 3.5Å; L289-F292 PolarHBondContact O-N 2.94Å; L289-N293 PolarHBondContact O-N 3.42Å; L289-I294 CarbonylContact C-O 3.22Å; L289-I294 VanDerWaalsContact C-O 3.22Å; L289-I294 HydrophobicContact CB-CB 4.1Å; L289-I294 HydrophobicContact CB-CG2 4.24Å; L289-I294 HydrophobicContact CD2-CB 4.37Å; L289-I294 HydrophobicContact CD2-CD1 4.04Å; L289-I294 HydrophobicContact CD2-CG2 4.29Å; L289-I294 WeakPolarHBondContact O-CB 3.32Å; L289-I294 PolarHBondContact O-N 3Å; L289-P296 HydrophobicContact CB-CG 4.49Å
290K97.9Very high96.3Very high100 Ų10040.8 Ų40.844%0.43521%0.212SC..Hα-helixtrans-58.4-38173.6-73171.2-166.6169.90111.8F286 E287 F292 N293 I294 P296F286-K290 WeakPolarHBondContact O-CB 3.46Å; F286-K290 WeakPolarHBondContact O-CG 3.44Å; F286-K290 PolarHBondContact O-N 3.27Å; E287-K290 PolarHBondContact O-N 3.25Å; E287-K290 IonicContact OE1-NZ 2.76Å; E287-K290 PolarHBondContact OE1-NZ 3.28Å; K290-F292 PolarHBondContact O-N 3.31Å; K290-F292 VanDerWaalsContact O-N 3.16Å; K290-N293 PolarHBondContact O-N 2.75Å; K290-I294 WeakPolarHBondContact CA-O 3.45Å; K290-I294 PolarHBondContact N-O 2.9Å; K290-P296 HydrophobicContact CG-CG 4.43Å
291S97.3Very high97Very high68 Ų6842 Ų4248%0.47622%0.217SC..Hα-helixtrans-63.6-17.617681.60000113.7E287 L288 L289E287-S291 PolarHBondContact O-N 3.36Å; E287-S291 VanDerWaalsContact O-N 3.08Å; L288-S291 WeakPolarHBondContact O-CB 3.46Å; L288-S291 PolarHBondContact O-N 2.82Å; L288-S291 PolarHBondContact O-OG 2.99Å; L289-S291 PolarHBondContact O-N 3.3Å
292F97.5Very high97.5Very high32 Ų3242.9 Ų42.914%0.1422%0.223CC..THydrogen-bonded Turntrans-100.914.4172.9-62.1-41.6000113.4V256 L259 L288 L289 K290 I294V256-F292 HydrophobicContact CB-CE2 4.28Å; V256-F292 HydrophobicContact CG1-CD2 4.27Å; V256-F292 HydrophobicContact CG1-CE2 3.76Å; L259-F292 HydrophobicContact CB-CD2 4.34Å; L288-F292 HydrophobicContact CD1-CD2 4.4Å; L288-F292 HydrophobicContact CD1-CE2 3.59Å; L288-F292 HydrophobicContact CD1-CZ 3.92Å; L288-F292 HydrophobicContact CG-CD2 4.46Å; L288-F292 HydrophobicContact CG-CE2 3.92Å; L288-F292 WeakPolarHBondContact O-CD2 3.33Å; L288-F292 PolarHBondContact O-N 3.13Å; L289-F292 CarbonylContact O-C 3.58Å; L289-F292 WeakPolarHBondContact O-CA 3.49Å; L289-F292 WeakPolarHBondContact O-CB 3.5Å; L289-F292 PolarHBondContact O-N 2.94Å; K290-F292 PolarHBondContact O-N 3.31Å; K290-F292 VanDerWaalsContact O-N 3.16Å; F292-I294 HydrophobicContact CB-CD1 4.37Å; F292-I294 HydrophobicContact CB-CG1 4.39Å; F292-I294 PolarHBondContact O-N 2.91Å
293N97.8Very high97.7Very high145 Ų14548.4 Ų48.478%0.77525%0.247SC*.THydrogen-bonded Turntrans58.524.3-173.9-58.6-55.2000114.3L289 K290L289-N293 PolarHBondContact O-N 3.42Å; K290-N293 PolarHBondContact O-N 2.75Å
294I98.6Very high97.9Very high1 Ų146.7 Ų46.71%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-94.7118.6170.7-60.5175.2000107.1I240 L259 L262 T268 F270 L289 K290 F292 P296I240-I294 HydrophobicContact CD1-CD1 4.23Å; L259-I294 HydrophobicContact CB-CD1 3.78Å; L259-I294 HydrophobicContact CD1-CD1 4.08Å; L259-I294 HydrophobicContact CG-CD1 4.37Å; L262-I294 HydrophobicContact CD1-CD1 4.33Å; T268-I294 HydrophobicContact CG2-CB 4.36Å; T268-I294 HydrophobicContact CG2-CD1 4.29Å; T268-I294 HydrophobicContact CG2-CG1 3.76Å; T268-I294 HydrophobicContact CG2-CG2 4.09Å; F270-I294 HydrophobicContact CB-CG2 3.86Å; L289-I294 CarbonylContact C-O 3.22Å; L289-I294 VanDerWaalsContact C-O 3.22Å; L289-I294 HydrophobicContact CB-CB 4.1Å; L289-I294 HydrophobicContact CB-CG2 4.24Å; L289-I294 HydrophobicContact CD2-CB 4.37Å; L289-I294 HydrophobicContact CD2-CD1 4.04Å; L289-I294 HydrophobicContact CD2-CG2 4.29Å; L289-I294 WeakPolarHBondContact O-CB 3.32Å; L289-I294 PolarHBondContact O-N 3Å; K290-I294 WeakPolarHBondContact CA-O 3.45Å; K290-I294 PolarHBondContact N-O 2.9Å; F292-I294 HydrophobicContact CB-CD1 4.37Å; F292-I294 HydrophobicContact CB-CG1 4.39Å; F292-I294 PolarHBondContact O-N 2.91Å; I294-P296 VanDerWaalsContact O-CD 3.26Å; I294-P296 WeakPolarHBondContact O-CD 3.2Å
295R98.5Very high98.1Very high101 Ų10145.5 Ų45.538%0.38122%0.224SC..EExtended strand (participates in β ladder)trans-90.4113.7-177-179.2176.3175.4-171.4-6.3110.9T268 Y269 F270 L297 E300T268-R295 PolarHBondContact O-N 3.28Å; Y269-R295 WeakPolarHBondContact CA-O 3.44Å; Y269-R295 HydrophobicContact CD1-CB 4.01Å; Y269-R295 HydrophobicContact CD1-CG 4.43Å; Y269-R295 HydrophobicContact CE1-CB 4.31Å; F270-R295 PolarHBondContact N-O 3.16Å; R295-L297 HydrophobicContact CG-CD2 4.33Å; R295-E300 IonicContact CZ-OE2 2.86Å; R295-E300 IonicContact NE-OE2 3.01Å; R295-E300 IonicContact NH2-OE2 2.75Å; R295-E300 PolarHBondContact NH2-OE2 3.24Å
296P98.6Very high98.1Very high8 Ų845.7 Ų45.75%0.05223%0.226CC..EExtended strand (participates in β ladder)trans-65.7133.3166.5-17.733.4000110.3F270 F286 L289 K290 I294F270-P296 HydrophobicContact CD1-CB 4.22Å; F270-P296 CarbonylContact O-C 3.34Å; F270-P296 WeakPolarHBondContact O-CA 3.44Å; F286-P296 HydrophobicContact CB-CB 4.49Å; F286-P296 HydrophobicContact CB-CG 3.92Å; F286-P296 HydrophobicContact CD1-CB 3.67Å; F286-P296 HydrophobicContact CD1-CG 3.77Å; F286-P296 HydrophobicContact CD2-CB 4.2Å; F286-P296 HydrophobicContact CE1-CB 3.82Å; F286-P296 HydrophobicContact CE1-CG 4.42Å; F286-P296 HydrophobicContact CE2-CB 4.35Å; F286-P296 HydrophobicContact CG-CB 3.87Å; F286-P296 HydrophobicContact CG-CG 3.82Å; F286-P296 HydrophobicContact CZ-CB 4.16Å; L289-P296 HydrophobicContact CB-CG 4.49Å; K290-P296 HydrophobicContact CG-CG 4.43Å; I294-P296 VanDerWaalsContact O-CD 3.26Å; I294-P296 WeakPolarHBondContact O-CD 3.2Å
297L98.7Very high97.8Very high1 Ų149.9 Ų49.91%0.00526%0.255CS..  trans-100.978.6172.8-61.9-176.9000109.1Y269 F270 V271 R295 N299 E300 L316 G318 L352Y269-L297 HydrophobicContact CD1-CD1 4.2Å; Y269-L297 HydrophobicContact CD1-CD2 3.99Å; Y269-L297 HydrophobicContact CD1-CG 4.17Å; Y269-L297 HydrophobicContact CG-CD1 4.37Å; F270-L297 PolarHBondContact O-N 2.69Å; V271-L297 HydrophobicContact CG1-CB 4.1Å; R295-L297 HydrophobicContact CG-CD2 4.33Å; L297-N299 PolarHBondContact O-N 3.3Å; L297-E300 HydrophobicContact CD2-CB 4.48Å; L297-L316 HydrophobicContact CD1-CD2 4.46Å; L297-L316 HydrophobicContact CD1-CG 4.23Å; L297-G318 CarbonylContact O-C 3.52Å; L297-L352 HydrophobicContact CD1-CD1 4.19Å
298H98.1Very high97.7Very high39 Ų3952 Ų5218%0.18126%0.262CS..SBendtrans-79.379.9-177.117447.3000112F286 E300 D320 G331 H332F286-H298 HydrophobicContact CE2-CB 3.69Å; F286-H298 AromaticContact CE2-CG 3.83Å; F286-H298 HydrophobicContact CZ-CB 4.11Å; H298-E300 PolarHBondContact O-N 3.38Å; H298-D320 WeakPolarHBondContact CA-OD1 3.44Å; H298-D320 IonicContact CE1-OD1 3.5Å; H298-D320 IonicContact CE1-OD2 3.52Å; H298-D320 PolarHBondContact CE1-OD2 2.96Å; H298-D320 IonicContact CG-OD1 2.72Å; H298-D320 IonicContact ND1-OD1 2.78Å; H298-D320 PolarHBondContact ND1-OD1 3.31Å; H298-D320 IonicContact ND1-OD2 3.87Å; H298-D320 PolarHBondContact ND1-OD2 3Å; H298-G331 PolarHBondContact CE1-O 2.98Å; H298-G331 VanDerWaalsContact CE1-O 3.3Å; H298-G331 PolarHBondContact NE2-O 3.45Å; H298-H332 AromaticContact CE1-CE1 3.67Å; H298-H332 AromaticContact CE1-CG 3.96Å; H298-H332 AromaticContact CE1-ND1 3.45Å; H298-H332 PolarHBondContact CE1-ND1 2.86Å; H298-H332 AromaticContact ND1-CE1 3.85Å; H298-H332 AromaticContact ND1-ND1 3.68Å
299N98.6Very high97.5Very high6 Ų654.5 Ų54.53%0.03228%0.276CS..SBendtrans51.248.2-166.2-60.6-55.4000111L297 G318 V319 D320 G333 D335 K338 A339L297-N299 PolarHBondContact O-N 3.3Å; N299-G318 CarbonylContact C-O 3.52Å; N299-G318 WeakPolarHBondContact CA-O 3.21Å; N299-G318 PolarHBondContact N-O 2.99Å; N299-V319 WeakPolarHBondContact OD1-CA 3.43Å; N299-D320 PolarHBondContact OD1-N 3.25Å; N299-G333 PolarHBondContact ND2-O 3.25Å; N299-G333 PolarHBondContact OD1-O 3.46Å; N299-D335 HydrophobicContact CB-CB 4.13Å; N299-D335 PolarHBondContact OD1-N 3.31Å; N299-K338 HydrophobicContact CB-CB 4.44Å; N299-K338 HydrophobicContact CB-CD 4.02Å; N299-K338 HydrophobicContact CB-CG 4.5Å; N299-K338 CarbonylContact O-C 3.41Å; N299-K338 WeakPolarHBondContact O-CG 3.28Å; N299-A339 HydrophobicContact CB-CB 4.42Å; N299-A339 WeakPolarHBondContact O-CA 3.36Å; N299-A339 PolarHBondContact O-N 3.46Å
300E98.6Very high97.3Very high74 Ų7458.2 Ų58.235%0.34631%0.307SS..EExtended strand (participates in β ladder)trans-128.6163.1-174.5-77.3-171.6-169.900111.4R295 L297 H298 A317 G318R295-E300 IonicContact CZ-OE2 2.86Å; R295-E300 IonicContact NE-OE2 3.01Å; R295-E300 IonicContact NH2-OE2 2.75Å; R295-E300 PolarHBondContact NH2-OE2 3.24Å; L297-E300 HydrophobicContact CD2-CB 4.48Å; H298-E300 PolarHBondContact O-N 3.38Å; E300-A317 WeakPolarHBondContact O-CA 3.26Å; E300-G318 PolarHBondContact N-O 3.4Å; E300-G318 VanDerWaalsContact N-O 3.15Å; E300-G318 PolarHBondContact O-N 2.81Å
301N98.7Very high97.1Very high38 Ų3859.8 Ų59.820%0.20332%0.32CS..EExtended strand (participates in β ladder)trans-127.2164.5170.958.986000112.2L316 A317 A339 G342N301-L316 CarbonylContact C-O 3.5Å; N301-L316 VanDerWaalsContact CA-O 3.26Å; N301-L316 WeakPolarHBondContact CA-O 3.47Å; N301-A317 HydrophobicContact CB-CB 4Å; N301-A339 VanDerWaalsContact CB-O 3.25Å; N301-A339 WeakPolarHBondContact CB-O 3.28Å; N301-A339 PolarHBondContact ND2-O 3.43Å; N301-G342 PolarHBondContact ND2-N 3.22Å
302V98.5Very high97.1Very high22 Ų2258.5 Ų58.513%0.13331%0.307CS..EExtended strand (participates in β ladder)trans-140.4143171.964.10000109.1Y269 I304 L316Y269-V302 HydrophobicContact CD1-CG1 4.25Å; Y269-V302 HydrophobicContact CE1-CB 4.38Å; Y269-V302 HydrophobicContact CE1-CG1 3.62Å; Y269-V302 HydrophobicContact CE1-CG2 4.47Å; V302-I304 HydrophobicContact CG1-CD1 3.73Å; V302-I304 HydrophobicContact CG1-CG1 4.42Å; V302-L316 HydrophobicContact CG1-CB 3.88Å; V302-L316 HydrophobicContact CG1-CD2 4.23Å; V302-L316 HydrophobicContact CG1-CG 4.37Å; V302-L316 PolarHBondContact N-O 3.5Å; V302-L316 PolarHBondContact O-N 3.01Å
303K98.1Very high97.1Very high116 Ų11658.3 Ų58.350%0.50431%0.306SS..EExtended strand (participates in β ladder)trans-82.1119.1169.2-60.8-168.8175.3-173.80108.7V305 W313K303-V305 PolarHBondContact O-N 3.49Å; K303-W313 HydrophobicContact CB-CD2 4.16Å; K303-W313 HydrophobicContact CB-CE3 3.7Å; K303-W313 HydrophobicContact CB-CZ3 4.23Å; K303-W313 HydrophobicContact CD-CD2 3.86Å; K303-W313 HydrophobicContact CD-CE3 3.79Å; K303-W313 HydrophobicContact CD-CH2 3.96Å; K303-W313 HydrophobicContact CD-CZ2 3.98Å; K303-W313 HydrophobicContact CD-CZ3 3.86Å; K303-W313 HydrophobicContact CG-CD2 4.11Å; K303-W313 HydrophobicContact CG-CE3 3.55Å; K303-W313 HydrophobicContact CG-CH2 4.15Å; K303-W313 HydrophobicContact CG-CZ3 3.59Å
304I98.5Very high97.2Very high3 Ų351.5 Ų51.52%0.01527%0.269CS..EExtended strand (participates in β ladder)trans-90.9105.4172.8-54.2-60.2000108.1M201 I237 L266 Y269 V302 W313 F314 L316M201-I304 HydrophobicContact CE-CG2 3.94Å; M201-I304 WeakPolarHBondContact CE-O 3.44Å; I237-I304 HydrophobicContact CD1-CG1 4.28Å; I237-I304 HydrophobicContact CD1-CG2 3.88Å; L266-I304 HydrophobicContact CB-CG2 4.14Å; L266-I304 HydrophobicContact CD1-CG2 3.89Å; L266-I304 HydrophobicContact CG-CG2 4.45Å; Y269-I304 HydrophobicContact CE2-CD1 3.84Å; Y269-I304 VanDerWaalsContact OH-CD1 3.28Å; Y269-I304 WeakPolarHBondContact OH-CD1 3.35Å; V302-I304 HydrophobicContact CG1-CD1 3.73Å; V302-I304 HydrophobicContact CG1-CG1 4.42Å; I304-W313 WeakPolarHBondContact O-CA 3.36Å; I304-W313 WeakPolarHBondContact O-CB 3.1Å; I304-F314 HydrophobicContact CB-CD1 3.97Å; I304-F314 HydrophobicContact CB-CE1 3.56Å; I304-F314 HydrophobicContact CB-CE2 4.25Å; I304-F314 HydrophobicContact CB-CG 4.47Å; I304-F314 HydrophobicContact CB-CZ 3.72Å; I304-F314 HydrophobicContact CG1-CE1 4.12Å; I304-F314 HydrophobicContact CG1-CE2 3.99Å; I304-F314 HydrophobicContact CG1-CZ 3.71Å; I304-F314 HydrophobicContact CG2-CD1 4.32Å; I304-F314 HydrophobicContact CG2-CE1 3.61Å; I304-F314 HydrophobicContact CG2-CZ 3.97Å; I304-F314 PolarHBondContact N-O 3.03Å; I304-F314 PolarHBondContact O-N 3.13Å; I304-F314 VanDerWaalsContact O-N 3.15Å; I304-L316 HydrophobicContact CD1-CB 4.21Å; I304-L316 HydrophobicContact CD1-CD2 4.16Å; I304-L316 HydrophobicContact CG1-CB 3.71Å; I304-L316 HydrophobicContact CG1-CD2 4.35Å
305V98Very high97.2Very high63 Ų6351.4 Ų51.438%0.38227%0.269SS..EExtended strand (participates in β ladder)trans-86.4138.4-176.2-177.30000110.4K303 A310 W313K303-V305 PolarHBondContact O-N 3.49Å; V305-A310 WeakPolarHBondContact CG1-O 2.9Å; V305-W313 HydrophobicContact CG2-CB 4.3Å
306S96.8Very high97.2Very high5 Ų546.8 Ų46.84%0.03525%0.252CS..EExtended strand (participates in β ladder)trans-66.4130.4176.7-179.10000110.9T200 K308 N309 D312T200-S306 WeakPolarHBondContact CB-OG 3.23Å; T200-S306 WeakPolarHBondContact OG1-CB 3.48Å; T200-S306 PolarHBondContact OG1-OG 3.49Å; S306-K308 PolarHBondContact O-N 2.95Å; S306-K308 VanDerWaalsContact O-N 3.08Å; S306-K308 PolarHBondContact OG-N 3.07Å; S306-N309 WeakPolarHBondContact CB-O 3.48Å; S306-N309 CarbonylContact O-C 3.52Å; S306-N309 PolarHBondContact O-N 3.34Å; S306-D312 WeakPolarHBondContact CB-O 3.44Å; S306-D312 PolarHBondContact N-O 3.31Å
307P91.9Very high97.2Very high107 Ų10746.4 Ų46.470%0.69525%0.249SC*.THydrogen-bonded Turntrans-60.8-18.2172.1-24.133.6000113.8L266L266-P307 HydrophobicContact CD2-CG 3.97Å
308K94.9Very high97.2Very high157 Ų15746.4 Ų46.468%0.68325%0.249SC*.THydrogen-bonded Turntrans-94.4-23.1-176.3-58.3177-169.5154.90113T200 S306T200-K308 HydrophobicContact CG2-CB 4.39Å; T200-K308 WeakPolarHBondContact O-CD 3.46Å; T200-K308 PolarHBondContact O-NZ 2.72Å; S306-K308 PolarHBondContact O-N 2.95Å; S306-K308 VanDerWaalsContact O-N 3.08Å; S306-K308 PolarHBondContact OG-N 3.07Å
309N95Very high97.2Very high58 Ų5844.6 Ų44.631%0.3124%0.241SC..EExtended strand (participates in β ladder)trans-155.8120.3-177.6-178.24.1000110.5T200 S306 D311 D312T200-N309 HydrophobicContact CG2-CB 4.27Å; S306-N309 WeakPolarHBondContact CB-O 3.48Å; S306-N309 CarbonylContact O-C 3.52Å; S306-N309 PolarHBondContact O-N 3.34Å; N309-D311 PolarHBondContact O-N 3.31Å; N309-D311 PolarHBondContact OD1-N 3.34Å; N309-D311 VanDerWaalsContact OD1-N 3.14Å; N309-D312 HydrophobicContact CB-CB 4.12Å; N309-D312 WeakPolarHBondContact CB-OD2 3.47Å; N309-D312 VanDerWaalsContact ND2-CG 3.33Å; N309-D312 PolarHBondContact ND2-OD2 2.88Å; N309-D312 VanDerWaalsContact ND2-OD2 3.16Å; N309-D312 PolarHBondContact O-N 2.9Å
310A92.9Very high97.2Very high79 Ų7944.4 Ų44.465%0.65324%0.24SC*.EExtended strand (participates in β ladder)trans-67.6-22.1-176.600000114V305V305-A310 WeakPolarHBondContact CG1-O 2.9Å
311D94.3Very high97.2Very high133 Ų13341 Ų4171%0.71122%0.224SC*.EExtended strand (participates in β ladder)trans-83.2-17.2177.9-64.7-36.2000112.7N309N309-D311 PolarHBondContact O-N 3.31Å; N309-D311 PolarHBondContact OD1-N 3.34Å; N309-D311 VanDerWaalsContact OD1-N 3.14Å
312D96.9Very high97.2Very high40 Ų4040 Ų4021%0.21422%0.219CC..EExtended strand (participates in β ladder)trans-89.8122178.4-72.7-20.9000110.3P198 T200 S306 N309P198-D312 HydrophobicContact CB-CB 3.72Å; P198-D312 HydrophobicContact CG-CB 4.03Å; T200-D312 WeakPolarHBondContact CB-OD2 3.48Å; T200-D312 WeakPolarHBondContact CG2-OD2 3.32Å; T200-D312 WeakPolarHBondContact OG1-CB 3.36Å; T200-D312 PolarHBondContact OG1-OD2 3.42Å; S306-D312 WeakPolarHBondContact CB-O 3.44Å; S306-D312 PolarHBondContact N-O 3.31Å; N309-D312 HydrophobicContact CB-CB 4.12Å; N309-D312 WeakPolarHBondContact CB-OD2 3.47Å; N309-D312 VanDerWaalsContact ND2-CG 3.33Å; N309-D312 PolarHBondContact ND2-OD2 2.88Å; N309-D312 VanDerWaalsContact ND2-OD2 3.16Å; N309-D312 PolarHBondContact O-N 2.9Å
313W97.7Very high97Very high29 Ų2940.7 Ų40.711%0.1122%0.22CC..EExtended strand (participates in β ladder)trans-155.2162.4177.463.7-81.1000112K303 I304 V305 C315 H347K303-W313 HydrophobicContact CB-CD2 4.16Å; K303-W313 HydrophobicContact CB-CE3 3.7Å; K303-W313 HydrophobicContact CB-CZ3 4.23Å; K303-W313 HydrophobicContact CD-CD2 3.86Å; K303-W313 HydrophobicContact CD-CE3 3.79Å; K303-W313 HydrophobicContact CD-CH2 3.96Å; K303-W313 HydrophobicContact CD-CZ2 3.98Å; K303-W313 HydrophobicContact CD-CZ3 3.86Å; K303-W313 HydrophobicContact CG-CD2 4.11Å; K303-W313 HydrophobicContact CG-CE3 3.55Å; K303-W313 HydrophobicContact CG-CH2 4.15Å; K303-W313 HydrophobicContact CG-CZ3 3.59Å; I304-W313 WeakPolarHBondContact O-CA 3.36Å; I304-W313 WeakPolarHBondContact O-CB 3.1Å; V305-W313 HydrophobicContact CG2-CB 4.3Å; W313-C315 HydrophobicContact CZ3-CB 4.05Å; W313-H347 AromaticContact CE2-CD2 3.79Å; W313-H347 AromaticContact CE2-CE1 3.52Å; W313-H347 AromaticContact CE2-CG 3.83Å; W313-H347 AromaticContact CE2-ND1 3.66Å; W313-H347 AromaticContact CE2-NE2 3.58Å; W313-H347 HydrophobicContact CH2-CB 4.22Å; W313-H347 AromaticContact CH2-CD2 3.58Å; W313-H347 AromaticContact CH2-CG 3.83Å; W313-H347 HydrophobicContact CZ2-CB 4.47Å; W313-H347 AromaticContact CZ2-CD2 3.21Å; W313-H347 WeakPolarHBondContact CZ2-CD2 3.27Å; W313-H347 AromaticContact CZ2-CE1 3.71Å; W313-H347 AromaticContact CZ2-CG 3.62Å; W313-H347 AromaticContact CZ2-ND1 3.9Å; W313-H347 AromaticContact CZ2-NE2 3.26Å; W313-H347 VanDerWaalsContact CZ2-NE2 3.26Å; W313-H347 WeakPolarHBondContact CZ2-NE2 3.17Å; W313-H347 HydrophobicContact CZ3-CB 4.29Å; W313-H347 AromaticContact NE1-CE1 3.35Å; W313-H347 PolarHBondContact NE1-CE1 3.3Å; W313-H347 VanDerWaalsContact NE1-CE1 3.35Å; W313-H347 AromaticContact NE1-ND1 3.78Å; W313-H347 AromaticContact NE1-NE2 3.7Å; W313-H347 PolarHBondContact O-ND1 2.91Å
314F98.6Very high96.8Very high1 Ų135.1 Ų35.10%0.00420%0.196CC..EExtended strand (participates in β ladder)trans-126.4157.7165.876-90.5000110.8L197 M201 L204 I237 I304 L316 A348 V350 L434L197-F314 HydrophobicContact CD1-CB 4.34Å; L197-F314 HydrophobicContact CD1-CD1 4Å; L197-F314 HydrophobicContact CD1-CG 4.31Å; M201-F314 HydrophobicContact CE-CD1 3.47Å; M201-F314 VanDerWaalsContact CE-CD1 3.47Å; M201-F314 HydrophobicContact CE-CE1 3.58Å; M201-F314 HydrophobicContact SD-CD1 3.84Å; L204-F314 HydrophobicContact CD1-CE1 4.01Å; I237-F314 HydrophobicContact CD1-CE1 4.26Å; I237-F314 HydrophobicContact CD1-CZ 3.72Å; I304-F314 HydrophobicContact CB-CD1 3.97Å; I304-F314 HydrophobicContact CB-CE1 3.56Å; I304-F314 HydrophobicContact CB-CE2 4.25Å; I304-F314 HydrophobicContact CB-CG 4.47Å; I304-F314 HydrophobicContact CB-CZ 3.72Å; I304-F314 HydrophobicContact CG1-CE1 4.12Å; I304-F314 HydrophobicContact CG1-CE2 3.99Å; I304-F314 HydrophobicContact CG1-CZ 3.71Å; I304-F314 HydrophobicContact CG2-CD1 4.32Å; I304-F314 HydrophobicContact CG2-CE1 3.61Å; I304-F314 HydrophobicContact CG2-CZ 3.97Å; I304-F314 PolarHBondContact N-O 3.03Å; I304-F314 PolarHBondContact O-N 3.13Å; I304-F314 VanDerWaalsContact O-N 3.15Å; F314-L316 HydrophobicContact CE2-CB 4.1Å; F314-A348 HydrophobicContact CB-CB 3.79Å; F314-A348 WeakPolarHBondContact CB-O 3.38Å; F314-V350 HydrophobicContact CD2-CB 4.3Å; F314-V350 HydrophobicContact CD2-CG2 3.77Å; F314-V350 HydrophobicContact CE2-CB 4.02Å; F314-V350 HydrophobicContact CE2-CG2 3.66Å; F314-L434 HydrophobicContact CE1-CD1 4.37Å; F314-L434 HydrophobicContact CZ-CD1 4.25Å
315C98.7Very high96.4Very high0 Ų039.4 Ų39.40%022%0.219CC..EExtended strand (participates in β ladder)trans-86.1122177.6-148.20000110.4W313 C343 A348 I349 V350W313-C315 HydrophobicContact CZ3-CB 4.05Å; C315-C343 HydrophobicContact CB-CB 3.67Å; C315-C343 WeakPolarHBondContact CB-SG 3.42Å; C315-C343 WeakPolarHBondContact SG-CA 3.46Å; C315-C343 WeakPolarHBondContact SG-CB 3.37Å; C315-C343 CovalentContact SG-SG 2.03Å; C315-C343 PolarHBondContact SG-SG 3.38Å; C315-A348 PolarHBondContact N-O 2.99Å; C315-I349 HydrophobicContact CB-CG1 4.37Å; C315-V350 PolarHBondContact O-N 3.41Å
316L98.9Very high95.8Very high4 Ų440.3 Ų40.32%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-102.6119.2164.9-179.967000108.2V239 Y269 L297 N301 V302 I304 F314 V350 L352V239-L316 HydrophobicContact CG1-CD2 4.49Å; Y269-L316 HydrophobicContact CD1-CD2 4.32Å; Y269-L316 HydrophobicContact CD2-CD2 3.35Å; Y269-L316 HydrophobicContact CE2-CD2 3.68Å; Y269-L316 HydrophobicContact CG-CD2 3.71Å; L297-L316 HydrophobicContact CD1-CD2 4.46Å; L297-L316 HydrophobicContact CD1-CG 4.23Å; N301-L316 CarbonylContact C-O 3.5Å; N301-L316 VanDerWaalsContact CA-O 3.26Å; N301-L316 WeakPolarHBondContact CA-O 3.47Å; V302-L316 HydrophobicContact CG1-CB 3.88Å; V302-L316 HydrophobicContact CG1-CD2 4.23Å; V302-L316 HydrophobicContact CG1-CG 4.37Å; V302-L316 PolarHBondContact N-O 3.5Å; V302-L316 PolarHBondContact O-N 3.01Å; I304-L316 HydrophobicContact CD1-CB 4.21Å; I304-L316 HydrophobicContact CD1-CD2 4.16Å; I304-L316 HydrophobicContact CG1-CB 3.71Å; I304-L316 HydrophobicContact CG1-CD2 4.35Å; F314-L316 HydrophobicContact CE2-CB 4.1Å; L316-V350 WeakPolarHBondContact CA-O 3.43Å; L316-V350 HydrophobicContact CD1-CB 4.04Å; L316-V350 HydrophobicContact CD1-CG1 3.89Å; L316-L352 HydrophobicContact CD1-CD1 4.33Å; L316-L352 HydrophobicContact CD1-CD2 4.07Å; L316-L352 HydrophobicContact CD1-CG 4Å
317A98.9Very high95.2Very high0 Ų040.5 Ų40.50%023%0.225CC..EExtended strand (participates in β ladder)trans-119.4155.2178.900000111E300 N301 L340 V350 L351 L352E300-A317 WeakPolarHBondContact O-CA 3.26Å; N301-A317 HydrophobicContact CB-CB 4Å; A317-L340 HydrophobicContact CB-CD2 3.54Å; A317-V350 PolarHBondContact N-O 3.37Å; A317-L351 HydrophobicContact CB-CD1 3.97Å; A317-L351 CarbonylContact O-C 3.53Å; A317-L351 WeakPolarHBondContact O-CA 3.43Å; A317-L352 PolarHBondContact O-N 2.89Å
318G98.8Very high94.8Very high0 Ų043.5 Ų43.50%022%0.223CC..EExtended strand (participates in β ladder)trans-137.8142.6173.400000111.2V271 L297 N299 E300 A339 L352V271-G318 VanDerWaalsContact CG1-CA 3.46Å; L297-G318 CarbonylContact O-C 3.52Å; N299-G318 CarbonylContact C-O 3.52Å; N299-G318 WeakPolarHBondContact CA-O 3.21Å; N299-G318 PolarHBondContact N-O 2.99Å; E300-G318 PolarHBondContact N-O 3.4Å; E300-G318 VanDerWaalsContact N-O 3.15Å; E300-G318 PolarHBondContact O-N 2.81Å; G318-A339 WeakPolarHBondContact O-CB 3.4Å; G318-L352 WeakPolarHBondContact CA-O 3.22Å
319V98.8Very high94.3Very high1 Ų138 Ų381%0.00620%0.198CC..  trans-112.8151172.8-70.20000110.5N299 M334 L336 A339 L351 L352 A353N299-V319 WeakPolarHBondContact OD1-CA 3.43Å; V319-M334 HydrophobicContact CB-CG 4.06Å; V319-M334 HydrophobicContact CG1-CG 4.24Å; V319-M334 HydrophobicContact CG2-CG 4.25Å; V319-L336 HydrophobicContact CG1-CD1 4.15Å; V319-A339 HydrophobicContact CG1-CB 3.6Å; V319-L351 HydrophobicContact CG1-CD1 4.21Å; V319-L352 PolarHBondContact N-O 2.7Å; V319-L352 VanDerWaalsContact N-O 3.16Å; V319-A353 HydrophobicContact CG2-CB 3.71Å
320D98.7Very high93.9Very high2 Ų240.8 Ų40.81%0.01122%0.222CC..  trans-66158.4167.3-81.310.1000111.4T272 Y277 H298 N299 H332 G333T272-D320 WeakPolarHBondContact OG1-CA 3.42Å; Y277-D320 WeakPolarHBondContact OH-CB 3.4Å; Y277-D320 VanDerWaalsContact OH-CG 3.24Å; Y277-D320 PolarHBondContact OH-OD2 3.49Å; H298-D320 WeakPolarHBondContact CA-OD1 3.44Å; H298-D320 IonicContact CE1-OD1 3.5Å; H298-D320 IonicContact CE1-OD2 3.52Å; H298-D320 PolarHBondContact CE1-OD2 2.96Å; H298-D320 IonicContact CG-OD1 2.72Å; H298-D320 IonicContact ND1-OD1 2.78Å; H298-D320 PolarHBondContact ND1-OD1 3.31Å; H298-D320 IonicContact ND1-OD2 3.87Å; H298-D320 PolarHBondContact ND1-OD2 3Å; N299-D320 PolarHBondContact OD1-N 3.25Å; D320-H332 IonicContact OD2-CE1 3.95Å; D320-H332 IonicContact OD2-CG 2.83Å; D320-H332 IonicContact OD2-ND1 3.93Å; D320-H332 PolarHBondContact OD2-ND1 3.39Å; D320-G333 WeakPolarHBondContact CB-O 3.3Å
321D98.4Very high93.8Very high3 Ų340 Ų402%0.01622%0.222CC..  trans-70.4142.4178.1-163.1-97.5000112T272 G273 N274 Y277 E323 A324 H354 Q355T272-D321 PolarHBondContact OG1-N 3.11Å; G273-D321 VanDerWaalsContact C-CB 3.5Å; N274-D321 WeakPolarHBondContact CB-OD1 3.36Å; Y277-D321 HydrophobicContact CD2-CB 4.01Å; Y277-D321 HydrophobicContact CE2-CB 3.55Å; D321-E323 PolarHBondContact O-N 2.88Å; D321-E323 WeakPolarHBondContact OD1-CB 3.41Å; D321-E323 PolarHBondContact OD1-N 3.39Å; D321-A324 VanDerWaalsContact O-CB 3.31Å; D321-A324 WeakPolarHBondContact O-CB 3.34Å; D321-A324 PolarHBondContact O-N 2.83Å; D321-A324 VanDerWaalsContact O-N 3.16Å; D321-H354 IonicContact OD2-CD2 3.81Å; D321-H354 PolarHBondContact OD2-CD2 3.43Å; D321-H354 IonicContact OD2-CG 3.47Å; D321-Q355 PolarHBondContact OD1-NE2 2.97Å; D321-Q355 WeakPolarHBondContact OD2-CG 3.32Å; D321-Q355 PolarHBondContact OD2-NE2 3.3Å
322I97.4Very high93.8Very high18 Ų1835.3 Ų35.39%0.09220%0.195CC..THydrogen-bonded Turntrans-65.6-20-179.860.7172.8000113A324 D325 M334 Q355 V357 A358 W361I322-A324 PolarHBondContact O-N 3Å; I322-D325 PolarHBondContact O-N 3.31Å; I322-M334 HydrophobicContact CG2-CB 3.77Å; I322-M334 HydrophobicContact CG2-CG 4.36Å; I322-M334 HydrophobicContact CG2-SD 3.74Å; I322-Q355 HydrophobicContact CD1-CB 4.43Å; I322-V357 HydrophobicContact CD1-CB 4.17Å; I322-V357 HydrophobicContact CD1-CG1 4.08Å; I322-A358 HydrophobicContact CG2-CB 3.86Å; I322-W361 HydrophobicContact CB-CZ3 4.01Å; I322-W361 HydrophobicContact CD1-CH2 3.98Å; I322-W361 HydrophobicContact CD1-CZ3 3.86Å; I322-W361 HydrophobicContact CG2-CE3 3.95Å; I322-W361 HydrophobicContact CG2-CZ3 3.58Å
323E94.4Very high93.8Very high35 Ų3533.6 Ų33.616%0.16419%0.188CC..Hα-helixtrans-64.5-24.8175.9-169.865.2-165.100112N274 Y278 D321 D325 V326 L327N274-E323 HydrophobicContact CB-CB 3.6Å; N274-E323 HydrophobicContact CB-CG 3.86Å; Y278-E323 HydrophobicContact CD1-CG 4.49Å; Y278-E323 HydrophobicContact CE1-CG 3.58Å; Y278-E323 WeakPolarHBondContact CE1-OE1 3.1Å; Y278-E323 PolarHBondContact OH-OE1 3.01Å; D321-E323 PolarHBondContact O-N 2.88Å; D321-E323 WeakPolarHBondContact OD1-CB 3.41Å; D321-E323 PolarHBondContact OD1-N 3.39Å; E323-D325 VanDerWaalsContact C-N 3.31Å; E323-D325 PolarHBondContact O-N 2.9Å; E323-V326 WeakPolarHBondContact O-CB 3.4Å; E323-V326 PolarHBondContact O-N 3.01Å; E323-L327 HydrophobicContact CG-CD1 3.81Å; E323-L327 HydrophobicContact CG-CG 4.08Å; E323-L327 WeakPolarHBondContact O-CB 3.47Å; E323-L327 VanDerWaalsContact O-CG 3.3Å; E323-L327 WeakPolarHBondContact O-CG 3.42Å; E323-L327 PolarHBondContact O-N 3.35Å
324A93.5Very high93.8Very high0 Ų033.9 Ų33.90%019%0.19CC..Hα-helixtrans-58.5-42.2175.800000112.3Y277 D321 I322 L327 R328 Y329 H332Y277-A324 HydrophobicContact CD1-CB 3.73Å; Y277-A324 HydrophobicContact CD2-CB 4.16Å; Y277-A324 HydrophobicContact CE1-CB 3.47Å; Y277-A324 VanDerWaalsContact CE1-CB 3.47Å; Y277-A324 HydrophobicContact CE2-CB 3.95Å; Y277-A324 HydrophobicContact CG-CB 4.08Å; D321-A324 VanDerWaalsContact O-CB 3.31Å; D321-A324 WeakPolarHBondContact O-CB 3.34Å; D321-A324 PolarHBondContact O-N 2.83Å; D321-A324 VanDerWaalsContact O-N 3.16Å; I322-A324 PolarHBondContact O-N 3Å; A324-L327 CarbonylContact O-C 3.6Å; A324-L327 PolarHBondContact O-N 3.31Å; A324-R328 PolarHBondContact O-N 3.14Å; A324-Y329 PolarHBondContact O-N 3.21Å; A324-H332 HydrophobicContact CB-CB 3.78Å
325D90.1Very high93.8Very high92 Ų9237.1 Ų37.149%0.49221%0.208SC..Hα-helixtrans-67.7-42.6177.4-72.4-46.9000111.2I322 E323 L327 R328 G333 M334I322-D325 PolarHBondContact O-N 3.31Å; E323-D325 VanDerWaalsContact C-N 3.31Å; E323-D325 PolarHBondContact O-N 2.9Å; D325-L327 VanDerWaalsContact C-N 3.27Å; D325-L327 PolarHBondContact O-N 3.25Å; D325-R328 PolarHBondContact O-N 3.43Å; D325-G333 WeakPolarHBondContact OD2-CA 3.49Å; D325-M334 PolarHBondContact OD2-N 2.98Å
326V86.4Confident93.8Very high83 Ų8337.5 Ų37.550%0.50321%0.21SC..Hα-helixtrans-57.3-45.4175177.70000109.8R28 E323 R328R28-V326 VanDerWaalsContact NH2-C 3.33Å; R28-V326 PolarHBondContact NH2-O 3.04Å; E323-V326 WeakPolarHBondContact O-CB 3.4Å; E323-V326 PolarHBondContact O-N 3.01Å; V326-R328 VanDerWaalsContact C-N 3.27Å; V326-R328 PolarHBondContact O-N 2.99Å
327L83.3Confident93.7Very high9 Ų945.8 Ų45.85%0.04725%0.246CC..Hα-helixtrans-76.4-7.5179-66.1173.9000114.3R40 L44 Y278 E323 A324 D325 Y329R40-L327 PolarHBondContact NH2-O 3.03Å; L44-L327 HydrophobicContact CD2-CD2 4.29Å; Y278-L327 HydrophobicContact CD1-CD1 3.92Å; Y278-L327 HydrophobicContact CE1-CD1 4.07Å; E323-L327 HydrophobicContact CG-CD1 3.81Å; E323-L327 HydrophobicContact CG-CG 4.08Å; E323-L327 WeakPolarHBondContact O-CB 3.47Å; E323-L327 VanDerWaalsContact O-CG 3.3Å; E323-L327 WeakPolarHBondContact O-CG 3.42Å; E323-L327 PolarHBondContact O-N 3.35Å; A324-L327 CarbonylContact O-C 3.6Å; A324-L327 PolarHBondContact O-N 3.31Å; D325-L327 VanDerWaalsContact C-N 3.27Å; D325-L327 PolarHBondContact O-N 3.25Å; L327-Y329 VanDerWaalsContact C-N 3.26Å; L327-Y329 PolarHBondContact O-N 3.09Å
328R84.1Confident93.7Very high169 Ų16950.7 Ų50.764%0.63827%0.267SS*.THydrogen-bonded Turntrans50.949.1-171.3-58.2179.9177.3178.9-3.8110.9R40 A324 D325 V326 S330R40-R328 PolarHBondContact NH2-O 2.82Å; A324-R328 PolarHBondContact O-N 3.14Å; D325-R328 PolarHBondContact O-N 3.43Å; V326-R328 VanDerWaalsContact C-N 3.27Å; V326-R328 PolarHBondContact O-N 2.99Å; R328-S330 PolarHBondContact O-N 3.08Å
329Y85.5Confident93.7Very high42 Ų4250.7 Ų50.717%0.16527%0.267CS..  trans-79.4115.3176.7-158.9-76.7000108.6Y277 S280 A324 L327 G331 H332Y277-Y329 HydrophobicContact CD1-CD1 4.29Å; Y277-Y329 HydrophobicContact CD1-CD2 4.03Å; Y277-Y329 AromaticContact CD1-CG 3.89Å; Y277-Y329 HydrophobicContact CD1-CG 3.89Å; Y277-Y329 HydrophobicContact CE1-CD1 4.34Å; Y277-Y329 HydrophobicContact CE1-CG 4.34Å; S280-Y329 PolarHBondContact O-OH 3.31Å; S280-Y329 VanDerWaalsContact O-OH 3.09Å; A324-Y329 PolarHBondContact O-N 3.21Å; L327-Y329 VanDerWaalsContact C-N 3.26Å; L327-Y329 PolarHBondContact O-N 3.09Å; Y329-G331 PolarHBondContact O-N 2.65Å; Y329-H332 HydrophobicContact CD1-CB 3.89Å; Y329-H332 AromaticContact CD1-CD2 3.36Å; Y329-H332 WeakPolarHBondContact CD1-CD2 3.06Å; Y329-H332 AromaticContact CD1-CG 3.78Å; Y329-H332 AromaticContact CE1-CD2 3.42Å; Y329-H332 VanDerWaalsContact CE1-CD2 3.42Å; Y329-H332 WeakPolarHBondContact CE1-CD2 3.13Å; Y329-H332 AromaticContact CE1-NE2 3.86Å; Y329-H332 PolarHBondContact O-N 2.72Å
330S85.8Confident93.6Very high116 Ų11650.8 Ų50.881%0.81127%0.268SS*.THydrogen-bonded Turntrans-63.5132.6-171.6-171.10000111.7R328 H332R328-S330 PolarHBondContact O-N 3.08Å; S330-H332 PolarHBondContact O-CD2 3.42Å; S330-H332 PolarHBondContact O-N 2.97Å
331G90.4Very high93.5Very high63 Ų6353.9 Ų53.965%0.64930%0.3SS*.THydrogen-bonded Turntrans77.90.1177.600000115.2H298 Y329H298-G331 PolarHBondContact CE1-O 2.98Å; H298-G331 VanDerWaalsContact CE1-O 3.3Å; H298-G331 PolarHBondContact NE2-O 3.45Å; Y329-G331 PolarHBondContact O-N 2.65Å
332H95Very high93.2Very high34 Ų3455.5 Ų55.516%0.15732%0.317CS..  trans-120.9165.1177.9-71.1-96.6000110.6Y277 F286 H298 D320 A324 Y329 S330Y277-H332 HydrophobicContact CE1-CB 3.61Å; Y277-H332 AromaticContact CE1-CG 3.7Å; Y277-H332 AromaticContact CE1-ND1 3.66Å; Y277-H332 AromaticContact CZ-ND1 3.91Å; Y277-H332 PolarHBondContact OH-ND1 3.45Å; F286-H332 AromaticContact CE2-CE1 3.97Å; H298-H332 AromaticContact CE1-CE1 3.67Å; H298-H332 AromaticContact CE1-CG 3.96Å; H298-H332 AromaticContact CE1-ND1 3.45Å; H298-H332 PolarHBondContact CE1-ND1 2.86Å; H298-H332 AromaticContact ND1-CE1 3.85Å; H298-H332 AromaticContact ND1-ND1 3.68Å; D320-H332 IonicContact OD2-CE1 3.95Å; D320-H332 IonicContact OD2-CG 2.83Å; D320-H332 IonicContact OD2-ND1 3.93Å; D320-H332 PolarHBondContact OD2-ND1 3.39Å; A324-H332 HydrophobicContact CB-CB 3.78Å; Y329-H332 HydrophobicContact CD1-CB 3.89Å; Y329-H332 AromaticContact CD1-CD2 3.36Å; Y329-H332 WeakPolarHBondContact CD1-CD2 3.06Å; Y329-H332 AromaticContact CD1-CG 3.78Å; Y329-H332 AromaticContact CE1-CD2 3.42Å; Y329-H332 VanDerWaalsContact CE1-CD2 3.42Å; Y329-H332 WeakPolarHBondContact CE1-CD2 3.13Å; Y329-H332 AromaticContact CE1-NE2 3.86Å; Y329-H332 PolarHBondContact O-N 2.72Å; S330-H332 PolarHBondContact O-CD2 3.42Å; S330-H332 PolarHBondContact O-N 2.97Å
333G96.6Very high93.2Very high5 Ų555 Ų555%0.05232%0.315CS..SBendtrans132.9154.2-171.400000110.5N299 D320 D325 D335N299-G333 PolarHBondContact ND2-O 3.25Å; N299-G333 PolarHBondContact OD1-O 3.46Å; D320-G333 WeakPolarHBondContact CB-O 3.3Å; D325-G333 WeakPolarHBondContact OD2-CA 3.49Å; G333-D335 PolarHBondContact O-N 3.33Å; G333-D335 VanDerWaalsContact O-N 3.12Å
334M97.8Very high93.1Very high34 Ų3455.9 Ų55.917%0.16733%0.325CS..  trans-68.5112.1-178.3176.7-179.9170.500109.8V319 I322 D325 L336 A358 W361 A362V319-M334 HydrophobicContact CB-CG 4.06Å; V319-M334 HydrophobicContact CG1-CG 4.24Å; V319-M334 HydrophobicContact CG2-CG 4.25Å; I322-M334 HydrophobicContact CG2-CB 3.77Å; I322-M334 HydrophobicContact CG2-CG 4.36Å; I322-M334 HydrophobicContact CG2-SD 3.74Å; D325-M334 PolarHBondContact OD2-N 2.98Å; M334-L336 HydrophobicContact CE-CB 4.19Å; M334-L336 HydrophobicContact CE-CD1 4.33Å; M334-A358 HydrophobicContact SD-CB 3.77Å; M334-W361 HydrophobicContact CE-CB 4.46Å; M334-W361 HydrophobicContact SD-CE3 4.26Å; M334-A362 HydrophobicContact CE-CB 4.02Å
335D98.2Very high93.1Very high70 Ų7058.6 Ų58.637%0.37434%0.344SS..  trans-119.686.2173.2-173.2-18.3000109.9N299 G333 K337 K338 A339N299-D335 HydrophobicContact CB-CB 4.13Å; N299-D335 PolarHBondContact OD1-N 3.31Å; G333-D335 PolarHBondContact O-N 3.33Å; G333-D335 VanDerWaalsContact O-N 3.12Å; D335-K337 VanDerWaalsContact C-N 3.3Å; D335-K337 PolarHBondContact O-N 2.82Å; D335-K337 PolarHBondContact OD1-N 3.11Å; D335-K338 HydrophobicContact CB-CB 4.08Å; D335-K338 PolarHBondContact O-N 3.08Å; D335-K338 WeakPolarHBondContact OD1-CB 3.47Å; D335-K338 PolarHBondContact OD1-N 3.47Å; D335-K338 WeakPolarHBondContact OD2-CB 3.42Å; D335-A339 WeakPolarHBondContact O-CB 3.42Å; D335-A339 PolarHBondContact O-N 3.21Å
336L98.3Very high93.3Very high7 Ų760.1 Ų60.14%0.03735%0.348CS..Hα-helixtrans-64.5-35.8-178.1-17368.6000112.4V319 M334 A339 L340 L351 A362 E365 R366V319-L336 HydrophobicContact CG1-CD1 4.15Å; M334-L336 HydrophobicContact CE-CB 4.19Å; M334-L336 HydrophobicContact CE-CD1 4.33Å; L336-A339 PolarHBondContact O-N 3.27Å; L336-L340 HydrophobicContact CD1-CD1 3.63Å; L336-L340 HydrophobicContact CD1-CG 4.09Å; L336-L340 HydrophobicContact CD2-CD1 4.49Å; L336-L340 HydrophobicContact CG-CD1 3.87Å; L336-L340 HydrophobicContact CG-CG 4.46Å; L336-L340 WeakPolarHBondContact O-CB 3.47Å; L336-L340 PolarHBondContact O-N 2.74Å; L336-L351 HydrophobicContact CD1-CD1 4.49Å; L336-L351 HydrophobicContact CD1-CD2 3.93Å; L336-A362 HydrophobicContact CD1-CB 3.94Å; L336-A362 HydrophobicContact CD2-CB 4.07Å; L336-E365 HydrophobicContact CD2-CB 3.75Å; L336-R366 HydrophobicContact CD2-CB 4.36Å; L336-R366 HydrophobicContact CD2-CG 4.1Å
337K97.9Very high93.7Very high179 Ų17958.7 Ų58.778%0.77834%0.336SS*.Hα-helixtrans-65-44.2-179.4-176.9-178.9177.4-176.90110.5D335 G341D335-K337 VanDerWaalsContact C-N 3.3Å; D335-K337 PolarHBondContact O-N 2.82Å; D335-K337 PolarHBondContact OD1-N 3.11Å; K337-G341 WeakPolarHBondContact O-CA 3.43Å; K337-G341 PolarHBondContact O-N 2.61Å
338K98.3Very high94.5Very high102 Ų10258.2 Ų58.244%0.44333%0.333SS..Hα-helixtrans-66-47.5174.5-173-170.5171.8-161.30110.9N299 D335 L340 G341N299-K338 HydrophobicContact CB-CB 4.44Å; N299-K338 HydrophobicContact CB-CD 4.02Å; N299-K338 HydrophobicContact CB-CG 4.5Å; N299-K338 CarbonylContact O-C 3.41Å; N299-K338 WeakPolarHBondContact O-CG 3.28Å; D335-K338 HydrophobicContact CB-CB 4.08Å; D335-K338 PolarHBondContact O-N 3.08Å; D335-K338 WeakPolarHBondContact OD1-CB 3.47Å; D335-K338 PolarHBondContact OD1-N 3.47Å; D335-K338 WeakPolarHBondContact OD2-CB 3.42Å; K338-L340 VanDerWaalsContact C-N 3.27Å; K338-L340 PolarHBondContact O-N 2.84Å; K338-G341 PolarHBondContact O-N 3.25Å; K338-G341 VanDerWaalsContact O-N 3.16Å
339A98.4Very high95.2Very high0 Ų050.2 Ų50.20%030%0.303CS..Hα-helixtrans-56.7-40179.600000112.5N299 N301 G318 V319 D335 L336N299-A339 HydrophobicContact CB-CB 4.42Å; N299-A339 WeakPolarHBondContact O-CA 3.36Å; N299-A339 PolarHBondContact O-N 3.46Å; N301-A339 VanDerWaalsContact CB-O 3.25Å; N301-A339 WeakPolarHBondContact CB-O 3.28Å; N301-A339 PolarHBondContact ND2-O 3.43Å; G318-A339 WeakPolarHBondContact O-CB 3.4Å; V319-A339 HydrophobicContact CG1-CB 3.6Å; D335-A339 WeakPolarHBondContact O-CB 3.42Å; D335-A339 PolarHBondContact O-N 3.21Å; L336-A339 PolarHBondContact O-N 3.27Å
340L98.1Very high95.8Very high4 Ų448.5 Ų48.52%0.02130%0.297CS..THydrogen-bonded Turntrans-998.1-178.5-62177000114.4A317 L336 K338 G342 C343 I349 R366 I369A317-L340 HydrophobicContact CB-CD2 3.54Å; L336-L340 HydrophobicContact CD1-CD1 3.63Å; L336-L340 HydrophobicContact CD1-CG 4.09Å; L336-L340 HydrophobicContact CD2-CD1 4.49Å; L336-L340 HydrophobicContact CG-CD1 3.87Å; L336-L340 HydrophobicContact CG-CG 4.46Å; L336-L340 WeakPolarHBondContact O-CB 3.47Å; L336-L340 PolarHBondContact O-N 2.74Å; K338-L340 VanDerWaalsContact C-N 3.27Å; K338-L340 PolarHBondContact O-N 2.84Å; L340-G342 PolarHBondContact O-N 2.89Å; L340-G342 VanDerWaalsContact O-N 3.09Å; L340-C343 HydrophobicContact CB-CB 4.36Å; L340-C343 HydrophobicContact CD2-CB 4.06Å; L340-C343 PolarHBondContact O-N 3.23Å; L340-I349 HydrophobicContact CD2-CG2 3.75Å; L340-R366 HydrophobicContact CD1-CB 4.05Å; L340-R366 HydrophobicContact CD1-CG 3.79Å; L340-I369 HydrophobicContact CD1-CD1 4.05Å; L340-I369 HydrophobicContact CD1-CG1 4.23Å
341G96.1Very high96.4Very high67 Ų6743 Ų4369%0.69126%0.258SS*.THydrogen-bonded Turntrans-60-23.7-175.700000114.6K337 K338K337-G341 WeakPolarHBondContact O-CA 3.43Å; K337-G341 PolarHBondContact O-N 2.61Å; K338-G341 PolarHBondContact O-N 3.25Å; K338-G341 VanDerWaalsContact O-N 3.16Å
342G92.4Very high96.8Very high36 Ų3640 Ų4037%0.37123%0.227SC..THydrogen-bonded Turntrans-100.6-1.8174.800000114.9N301 L340N301-G342 PolarHBondContact ND2-N 3.22Å; L340-G342 PolarHBondContact O-N 2.89Å; L340-G342 VanDerWaalsContact O-N 3.09Å
343C96.1Very high97Very high8 Ų838.3 Ų38.35%0.05422%0.22CC..  trans-98.5102-176-57.70000111C315 L340 I349 R366C315-C343 HydrophobicContact CB-CB 3.67Å; C315-C343 WeakPolarHBondContact CB-SG 3.42Å; C315-C343 WeakPolarHBondContact SG-CA 3.46Å; C315-C343 WeakPolarHBondContact SG-CB 3.37Å; C315-C343 CovalentContact SG-SG 2.03Å; C315-C343 PolarHBondContact SG-SG 3.38Å; L340-C343 HydrophobicContact CB-CB 4.36Å; L340-C343 HydrophobicContact CD2-CB 4.06Å; L340-C343 PolarHBondContact O-N 3.23Å; C343-I349 HydrophobicContact CB-CD1 4Å; C343-I349 HydrophobicContact CB-CG1 4.18Å; C343-R366 PolarHBondContact O-NH2 3.43Å
344S93.8Very high97.1Very high54 Ų5438.2 Ų38.238%0.37822%0.218SC..  trans-71144.7170.7173.50000111.1E346 H347S344-E346 PolarHBondContact O-N 3.38Å; S344-E346 VanDerWaalsContact O-N 3.13Å; S344-E346 PolarHBondContact OG-N 2.94Å; S344-H347 PolarHBondContact O-N 3.49Å
345S92.3Very high97.1Very high56 Ų5637.4 Ų37.439%0.39221%0.214SC..THydrogen-bonded Turntrans-63.8-11.4173.2550000113.6K196 D368K196-S345 WeakPolarHBondContact CD-O 3.34Å; K196-S345 PolarHBondContact NZ-O 2.87Å; S345-D368 WeakPolarHBondContact CB-OD2 3.3Å
346E93.8Very high97.1Very high124 Ų12434.1 Ų34.158%0.57920%0.196SC*.THydrogen-bonded Turntrans-81.2-12.4177.4-60.6-43.8133.900114.7K196 S344K196-E346 IonicContact NZ-OE1 3.99Å; K196-E346 IonicContact NZ-OE2 3.76Å; K196-E346 PolarHBondContact NZ-OE2 3.01Å; S344-E346 PolarHBondContact O-N 3.38Å; S344-E346 VanDerWaalsContact O-N 3.13Å; S344-E346 PolarHBondContact OG-N 2.94Å
347H96.6Very high97.1Very high53 Ų5335.3 Ų35.325%0.24520%0.204CC..SBendtrans-111.3156.4174.5-63.6-82.7000110.2W313 S344 I349W313-H347 AromaticContact CE2-CD2 3.79Å; W313-H347 AromaticContact CE2-CE1 3.52Å; W313-H347 AromaticContact CE2-CG 3.83Å; W313-H347 AromaticContact CE2-ND1 3.66Å; W313-H347 AromaticContact CE2-NE2 3.58Å; W313-H347 HydrophobicContact CH2-CB 4.22Å; W313-H347 AromaticContact CH2-CD2 3.58Å; W313-H347 AromaticContact CH2-CG 3.83Å; W313-H347 HydrophobicContact CZ2-CB 4.47Å; W313-H347 AromaticContact CZ2-CD2 3.21Å; W313-H347 WeakPolarHBondContact CZ2-CD2 3.27Å; W313-H347 AromaticContact CZ2-CE1 3.71Å; W313-H347 AromaticContact CZ2-CG 3.62Å; W313-H347 AromaticContact CZ2-ND1 3.9Å; W313-H347 AromaticContact CZ2-NE2 3.26Å; W313-H347 VanDerWaalsContact CZ2-NE2 3.26Å; W313-H347 WeakPolarHBondContact CZ2-NE2 3.17Å; W313-H347 HydrophobicContact CZ3-CB 4.29Å; W313-H347 AromaticContact NE1-CE1 3.35Å; W313-H347 PolarHBondContact NE1-CE1 3.3Å; W313-H347 VanDerWaalsContact NE1-CE1 3.35Å; W313-H347 AromaticContact NE1-ND1 3.78Å; W313-H347 AromaticContact NE1-NE2 3.7Å; W313-H347 PolarHBondContact O-ND1 2.91Å; S344-H347 PolarHBondContact O-N 3.49Å; H347-I349 PolarHBondContact O-N 2.9Å
348A98.3Very high97.1Very high0 Ų026.9 Ų26.90%017%0.167CC..  trans-57.3138.516900000111V194 H195 K196 L197 F314 C315 N370V194-A348 HydrophobicContact CG1-CB 3.75Å; H195-A348 WeakPolarHBondContact O-CB 3.48Å; K196-A348 HydrophobicContact CB-CB 4.47Å; K196-A348 PolarHBondContact O-N 3.43Å; L197-A348 HydrophobicContact CB-CB 4.4Å; F314-A348 HydrophobicContact CB-CB 3.79Å; F314-A348 WeakPolarHBondContact CB-O 3.38Å; C315-A348 PolarHBondContact N-O 2.99Å; A348-N370 VanDerWaalsContact CA-OD1 3.28Å; A348-N370 WeakPolarHBondContact CA-OD1 3.38Å
349I98.7Very high97.1Very high1 Ų122 Ų221%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-119.3119.1177-56.3175.8000109C315 L340 C343 H347 I369 N370 L371C315-I349 HydrophobicContact CB-CG1 4.37Å; L340-I349 HydrophobicContact CD2-CG2 3.75Å; C343-I349 HydrophobicContact CB-CD1 4Å; C343-I349 HydrophobicContact CB-CG1 4.18Å; H347-I349 PolarHBondContact O-N 2.9Å; I349-I369 HydrophobicContact CG2-CG1 4.13Å; I349-I369 HydrophobicContact CG2-CG2 4.4Å; I349-N370 PolarHBondContact N-OD1 3.42Å; I349-N370 PolarHBondContact O-N 2.93Å; I349-L371 PolarHBondContact O-N 3.29Å
350V98.9Very high97.1Very high5 Ų526.6 Ų26.63%0.0317%0.166CC..EExtended strand (participates in β ladder)trans-108.7122169.7-176.90000108.1F314 C315 L316 A317 L371 L373F314-V350 HydrophobicContact CD2-CB 4.3Å; F314-V350 HydrophobicContact CD2-CG2 3.77Å; F314-V350 HydrophobicContact CE2-CB 4.02Å; F314-V350 HydrophobicContact CE2-CG2 3.66Å; C315-V350 PolarHBondContact O-N 3.41Å; L316-V350 WeakPolarHBondContact CA-O 3.43Å; L316-V350 HydrophobicContact CD1-CB 4.04Å; L316-V350 HydrophobicContact CD1-CG1 3.89Å; A317-V350 PolarHBondContact N-O 3.37Å; V350-L371 CarbonylContact C-O 3.57Å; V350-L371 VanDerWaalsContact CA-O 3.31Å; V350-L371 WeakPolarHBondContact CA-O 3.44Å; V350-L371 HydrophobicContact CG1-CB 4.36Å; V350-L371 HydrophobicContact CG1-CD2 4.22Å; V350-L371 HydrophobicContact CG1-CG 4.24Å; V350-L371 HydrophobicContact CG2-CB 4.27Å; V350-L371 HydrophobicContact CG2-CD2 4.47Å; V350-L373 HydrophobicContact CG1-CD1 4.42Å; V350-L373 HydrophobicContact CG1-CG 4.48Å
351L98.9Very high97.1Very high0 Ų031.9 Ų31.90%019%0.186CC..EExtended strand (participates in β ladder)trans-109.4132.8179.6178.166.5000110.8A317 V319 L336 A353 A362 I369 L371 I372 L373A317-L351 HydrophobicContact CB-CD1 3.97Å; A317-L351 CarbonylContact O-C 3.53Å; A317-L351 WeakPolarHBondContact O-CA 3.43Å; V319-L351 HydrophobicContact CG1-CD1 4.21Å; L336-L351 HydrophobicContact CD1-CD1 4.49Å; L336-L351 HydrophobicContact CD1-CD2 3.93Å; L351-A353 HydrophobicContact CD2-CB 4.41Å; L351-A353 HydrophobicContact CG-CB 4.39Å; L351-A362 HydrophobicContact CD2-CB 3.55Å; L351-I369 HydrophobicContact CB-CG2 4.11Å; L351-I369 HydrophobicContact CD2-CD1 3.91Å; L351-L371 PolarHBondContact N-O 3.14Å; L351-I372 HydrophobicContact CB-CG1 4.23Å; L351-I372 HydrophobicContact CD2-CD1 4.2Å; L351-I372 HydrophobicContact CD2-CG1 4.42Å; L351-I372 CarbonylContact O-C 3.56Å; L351-I372 VanDerWaalsContact O-CA 3.28Å; L351-I372 WeakPolarHBondContact O-CA 3.3Å; L351-L373 PolarHBondContact O-N 3.41Å
352L98.9Very high97.2Very high0 Ų028.7 Ų28.70%015%0.153CC..EExtended strand (participates in β ladder)trans-95.6117167.4-51.4-175.3000108.4V239 V241 V271 L297 L316 A317 G318 V319 L373V239-L352 HydrophobicContact CB-CD1 3.94Å; V239-L352 HydrophobicContact CB-CD2 4.12Å; V239-L352 HydrophobicContact CG1-CD1 3.87Å; V239-L352 HydrophobicContact CG1-CD2 4.1Å; V239-L352 HydrophobicContact CG2-CD2 4.17Å; V241-L352 HydrophobicContact CG2-CB 4.3Å; V241-L352 HydrophobicContact CG2-CD2 3.97Å; V241-L352 HydrophobicContact CG2-CG 4.48Å; V271-L352 HydrophobicContact CB-CB 4.45Å; V271-L352 HydrophobicContact CG1-CB 3.72Å; V271-L352 HydrophobicContact CG1-CD1 4.34Å; V271-L352 HydrophobicContact CG2-CB 3.83Å; L297-L352 HydrophobicContact CD1-CD1 4.19Å; L316-L352 HydrophobicContact CD1-CD1 4.33Å; L316-L352 HydrophobicContact CD1-CD2 4.07Å; L316-L352 HydrophobicContact CD1-CG 4Å; A317-L352 PolarHBondContact O-N 2.89Å; G318-L352 WeakPolarHBondContact CA-O 3.22Å; V319-L352 PolarHBondContact N-O 2.7Å; V319-L352 VanDerWaalsContact N-O 3.16Å; L352-L373 HydrophobicContact CD2-CB 3.94Å; L352-L373 HydrophobicContact CD2-CD1 3.87Å; L352-L373 HydrophobicContact CD2-CG 4.25Å
353A98.8Very high97.4Very high0 Ų028.1 Ų28.10%014%0.141CC..  trans-143.1115.3177.200000108.5V319 L351 Q355 A358 I372 L373 S374V319-A353 HydrophobicContact CG2-CB 3.71Å; L351-A353 HydrophobicContact CD2-CB 4.41Å; L351-A353 HydrophobicContact CG-CB 4.39Å; A353-Q355 PolarHBondContact O-N 3.5Å; A353-A358 HydrophobicContact CB-CB 4.29Å; A353-I372 HydrophobicContact CB-CG2 4.08Å; A353-L373 PolarHBondContact N-O 2.79Å; A353-L373 VanDerWaalsContact N-O 3.07Å; A353-S374 VanDerWaalsContact O-CA 3.24Å; A353-S374 WeakPolarHBondContact O-CA 3.37Å; A353-S374 VanDerWaalsContact O-CB 3.23Å; A353-S374 WeakPolarHBondContact O-CB 3.42Å; A353-S374 PolarHBondContact O-OG 2.83Å
354H98.7Very high97.4Very high3 Ų334 Ų341%0.01417%0.168CC..SBendtrans-59.7-52.9-168.9178.266.5000113.1D211 V241 G242 D243 T272 G273 N274 D321 G375 H376D211-H354 IonicContact OD1-CE1 3.28Å; D211-H354 PolarHBondContact OD1-CE1 3Å; V241-H354 HydrophobicContact CG1-CB 4.39Å; V241-H354 PolarHBondContact O-ND1 3.28Å; G242-H354 WeakPolarHBondContact CA-ND1 3.31Å; D243-H354 VanDerWaalsContact CG-NE2 3.25Å; D243-H354 IonicContact OD1-NE2 3.81Å; D243-H354 IonicContact OD2-CE1 2.79Å; D243-H354 IonicContact OD2-NE2 3.62Å; D243-H354 PolarHBondContact OD2-NE2 2.82Å; T272-H354 WeakPolarHBondContact O-CB 3.36Å; G273-H354 WeakPolarHBondContact CA-CD2 3.46Å; G273-H354 VanDerWaalsContact CA-CG 3.48Å; N274-H354 PolarHBondContact OD1-NE2 3.45Å; D321-H354 IonicContact OD2-CD2 3.81Å; D321-H354 PolarHBondContact OD2-CD2 3.43Å; D321-H354 IonicContact OD2-CG 3.47Å; H354-G375 CarbonylContact O-C 3.58Å; H354-G375 PolarHBondContact O-N 2.91Å; H354-H376 AromaticContact CD2-ND1 3.91Å; H354-H376 PolarHBondContact CE1-N 3.46Å; H354-H376 WeakPolarHBondContact NE2-CB 3.49Å; H354-H376 AromaticContact NE2-CG 3.86Å; H354-H376 AromaticContact NE2-ND1 3.51Å
355Q98.4Very high97.6Very high17 Ų1737.7 Ų37.78%0.07918%0.179CC..SBendtrans-84.6137.5-178.4-63.1-169.737.300113.3D321 I322 A353 V357 A358 A359 H376D321-Q355 PolarHBondContact OD1-NE2 2.97Å; D321-Q355 WeakPolarHBondContact OD2-CG 3.32Å; D321-Q355 PolarHBondContact OD2-NE2 3.3Å; I322-Q355 HydrophobicContact CD1-CB 4.43Å; A353-Q355 PolarHBondContact O-N 3.5Å; Q355-V357 PolarHBondContact O-N 2.99Å; Q355-V357 VanDerWaalsContact O-N 3.13Å; Q355-A358 HydrophobicContact CB-CB 4.43Å; Q355-A358 WeakPolarHBondContact O-CB 3.26Å; Q355-A358 PolarHBondContact O-N 3.46Å; Q355-A359 PolarHBondContact O-N 3.32Å; Q355-A359 VanDerWaalsContact O-N 3.1Å; Q355-H376 HydrophobicContact CG-CB 4.1Å
356P98.1Very high97.7Very high0 Ų037.9 Ų37.90%017%0.171CC..Hα-helixtrans-56-28.3171.1-29.736.7000114.6A359 K360 T377 N393 P394 F395 V410P356-A359 WeakPolarHBondContact O-CB 3.44Å; P356-A359 PolarHBondContact O-N 3.43Å; P356-K360 PolarHBondContact O-N 3.3Å; P356-T377 HydrophobicContact CG-CG2 3.58Å; P356-N393 HydrophobicContact CB-CB 4.42Å; P356-P394 HydrophobicContact CB-CG 4.04Å; P356-P394 VanDerWaalsContact O-CG 3.24Å; P356-P394 WeakPolarHBondContact O-CG 3.46Å; P356-F395 HydrophobicContact CB-CB 4.15Å; P356-F395 HydrophobicContact CB-CD2 4.26Å; P356-F395 WeakPolarHBondContact CB-O 3.06Å; P356-F395 WeakPolarHBondContact CG-O 3.45Å; P356-V410 HydrophobicContact CG-CG1 4.02Å; P356-V410 HydrophobicContact CG-CG2 4.14Å
357V97.8Very high97.8Very high33 Ų3336.5 Ų36.520%0.217%0.173CC..Hα-helixtrans-65.2-44.6174.3176.70000111I322 Q355 A359 K360 W361 P394I322-V357 HydrophobicContact CD1-CB 4.17Å; I322-V357 HydrophobicContact CD1-CG1 4.08Å; Q355-V357 PolarHBondContact O-N 2.99Å; Q355-V357 VanDerWaalsContact O-N 3.13Å; V357-A359 VanDerWaalsContact C-N 3.32Å; V357-A359 PolarHBondContact O-N 3.48Å; V357-K360 WeakPolarHBondContact O-CB 3.49Å; V357-K360 PolarHBondContact O-N 3.33Å; V357-W361 HydrophobicContact CG1-CD2 4.08Å; V357-W361 HydrophobicContact CG1-CH2 4Å; V357-W361 HydrophobicContact CG1-CZ2 3.46Å; V357-W361 VanDerWaalsContact CG1-CZ2 3.46Å; V357-W361 PolarHBondContact O-N 2.88Å; V357-P394 HydrophobicContact CG2-CG 4.32Å
358A98.1Very high97.7Very high1 Ų136 Ų361%0.00817%0.172CC..Hα-helixtrans-62.3-40.1174.500000111.3I322 M334 A353 Q355 K360 W361 A362I322-A358 HydrophobicContact CG2-CB 3.86Å; M334-A358 HydrophobicContact SD-CB 3.77Å; A353-A358 HydrophobicContact CB-CB 4.29Å; Q355-A358 HydrophobicContact CB-CB 4.43Å; Q355-A358 WeakPolarHBondContact O-CB 3.26Å; Q355-A358 PolarHBondContact O-N 3.46Å; A358-K360 VanDerWaalsContact C-N 3.33Å; A358-K360 PolarHBondContact O-N 3.47Å; A358-W361 PolarHBondContact O-N 2.99Å; A358-A362 WeakPolarHBondContact O-CB 3.37Å; A358-A362 PolarHBondContact O-N 3.46Å
359A98.2Very high97.7Very high0 Ų036 Ų360%017%0.172CC..Hα-helixtrans-58.1-44.8173.300000112Q355 P356 V357 A362 L363 I372 V408Q355-A359 PolarHBondContact O-N 3.32Å; Q355-A359 VanDerWaalsContact O-N 3.1Å; P356-A359 WeakPolarHBondContact O-CB 3.44Å; P356-A359 PolarHBondContact O-N 3.43Å; V357-A359 VanDerWaalsContact C-N 3.32Å; V357-A359 PolarHBondContact O-N 3.48Å; A359-A362 PolarHBondContact O-N 3.2Å; A359-L363 WeakPolarHBondContact O-CG 3.41Å; A359-L363 PolarHBondContact O-N 2.81Å; A359-L363 VanDerWaalsContact O-N 3.12Å; A359-I372 HydrophobicContact CB-CB 4.36Å; A359-I372 HydrophobicContact CB-CD1 4.06Å; A359-I372 HydrophobicContact CB-CG2 3.69Å; A359-I372 WeakPolarHBondContact O-CD1 3.45Å; A359-V408 HydrophobicContact CB-CG1 4.21Å
360K97.9Very high97.7Very high96 Ų9636.2 Ų36.242%0.41717%0.173SC..Hα-helixtrans-61.4-45.4176.1178.9179.1174.7-177.20112P356 V357 A358 L363 Q364 P394 F395P356-K360 PolarHBondContact O-N 3.3Å; V357-K360 WeakPolarHBondContact O-CB 3.49Å; V357-K360 PolarHBondContact O-N 3.33Å; A358-K360 VanDerWaalsContact C-N 3.33Å; A358-K360 PolarHBondContact O-N 3.47Å; K360-L363 PolarHBondContact O-N 3.07Å; K360-Q364 WeakPolarHBondContact O-CG 3.3Å; K360-Q364 PolarHBondContact O-N 2.94Å; K360-P394 HydrophobicContact CB-CB 4.29Å; K360-P394 HydrophobicContact CB-CG 4.01Å; K360-P394 HydrophobicContact CD-CB 3.78Å; K360-P394 HydrophobicContact CD-CG 4.19Å; K360-F395 HydrophobicContact CB-CE2 4.24Å
361W97.9Very high97.7Very high116 Ų11636 Ų3644%0.43917%0.172SC..Hα-helixtrans-63.1-42.4178-63.5-18.5000111.7I322 M334 V357 A358 L363 Q364 E365I322-W361 HydrophobicContact CB-CZ3 4.01Å; I322-W361 HydrophobicContact CD1-CH2 3.98Å; I322-W361 HydrophobicContact CD1-CZ3 3.86Å; I322-W361 HydrophobicContact CG2-CE3 3.95Å; I322-W361 HydrophobicContact CG2-CZ3 3.58Å; M334-W361 HydrophobicContact CE-CB 4.46Å; M334-W361 HydrophobicContact SD-CE3 4.26Å; V357-W361 HydrophobicContact CG1-CD2 4.08Å; V357-W361 HydrophobicContact CG1-CH2 4Å; V357-W361 HydrophobicContact CG1-CZ2 3.46Å; V357-W361 VanDerWaalsContact CG1-CZ2 3.46Å; V357-W361 PolarHBondContact O-N 2.88Å; A358-W361 PolarHBondContact O-N 2.99Å; W361-L363 VanDerWaalsContact C-N 3.31Å; W361-L363 PolarHBondContact O-N 3.39Å; W361-Q364 WeakPolarHBondContact O-CB 3.3Å; W361-Q364 PolarHBondContact O-N 2.89Å; W361-Q364 VanDerWaalsContact O-N 3.09Å; W361-E365 PolarHBondContact O-N 3.49Å
362A98.1Very high97.7Very high0 Ų036 Ų360%017%0.172CC..Hα-helixtrans-58.5-41.8176.900000112.6M334 L336 L351 A358 A359 Q364 E365 R366 I369 I372M334-A362 HydrophobicContact CE-CB 4.02Å; L336-A362 HydrophobicContact CD1-CB 3.94Å; L336-A362 HydrophobicContact CD2-CB 4.07Å; L351-A362 HydrophobicContact CD2-CB 3.55Å; A358-A362 WeakPolarHBondContact O-CB 3.37Å; A358-A362 PolarHBondContact O-N 3.46Å; A359-A362 PolarHBondContact O-N 3.2Å; A362-Q364 VanDerWaalsContact C-N 3.33Å; A362-Q364 PolarHBondContact O-N 3.44Å; A362-E365 PolarHBondContact O-N 2.91Å; A362-R366 WeakPolarHBondContact O-CA 3.17Å; A362-R366 PolarHBondContact O-N 3.34Å; A362-I369 HydrophobicContact CB-CD1 4.03Å; A362-I372 HydrophobicContact CB-CD1 4.16Å
363L97.5Very high97.7Very high23 Ų2336 Ų3612%0.1217%0.172CC..Hα-helixtrans-70-27.4177.2-66.6-180000114A359 K360 W361 E365 I369 I372 V402 T406 V408A359-L363 WeakPolarHBondContact O-CG 3.41Å; A359-L363 PolarHBondContact O-N 2.81Å; A359-L363 VanDerWaalsContact O-N 3.12Å; K360-L363 PolarHBondContact O-N 3.07Å; W361-L363 VanDerWaalsContact C-N 3.31Å; W361-L363 PolarHBondContact O-N 3.39Å; L363-E365 VanDerWaalsContact C-N 3.34Å; L363-I369 HydrophobicContact CD2-CB 4.19Å; L363-I372 HydrophobicContact CD1-CD1 4.2Å; L363-I372 HydrophobicContact CD2-CD1 3.64Å; L363-I372 HydrophobicContact CD2-CG1 4.37Å; L363-I372 HydrophobicContact CG-CD1 3.61Å; L363-V402 HydrophobicContact CD1-CB 4.17Å; L363-V402 HydrophobicContact CD1-CG1 3.95Å; L363-V402 HydrophobicContact CD1-CG2 4.25Å; L363-T406 HydrophobicContact CD1-CG2 4.28Å; L363-T406 HydrophobicContact CD2-CG2 3.49Å; L363-T406 VanDerWaalsContact CD2-CG2 3.49Å; L363-V408 HydrophobicContact CD1-CG2 3.7Å
364Q96.4Very high97.7Very high132 Ų13236 Ų3662%0.61717%0.172SC*.Hα-helixtrans-70.2-34.1175.1-71.5173.6-36.200111.5K360 W361 A362K360-Q364 WeakPolarHBondContact O-CG 3.3Å; K360-Q364 PolarHBondContact O-N 2.94Å; W361-Q364 WeakPolarHBondContact O-CB 3.3Å; W361-Q364 PolarHBondContact O-N 2.89Å; W361-Q364 VanDerWaalsContact O-N 3.09Å; A362-Q364 VanDerWaalsContact C-N 3.33Å; A362-Q364 PolarHBondContact O-N 3.44Å
365E96.5Very high97.7Very high132 Ų13235.9 Ų35.962%0.61717%0.171SC*.Hα-helixtrans-89-36.7179.2-67.2-175.6-160.600113.4L336 W361 A362 L363L336-E365 HydrophobicContact CD2-CB 3.75Å; W361-E365 PolarHBondContact O-N 3.49Å; A362-E365 PolarHBondContact O-N 2.91Å; L363-E365 VanDerWaalsContact C-N 3.34Å
366R95.7Very high97.6Very high59 Ų5937.3 Ų37.322%0.22318%0.178CC..  trans-132.777.6-174.7-73.8-67.7-58.8-88.93.4111.1L336 L340 C343 A362 D368 I369L336-R366 HydrophobicContact CD2-CB 4.36Å; L336-R366 HydrophobicContact CD2-CG 4.1Å; L340-R366 HydrophobicContact CD1-CB 4.05Å; L340-R366 HydrophobicContact CD1-CG 3.79Å; C343-R366 PolarHBondContact O-NH2 3.43Å; A362-R366 WeakPolarHBondContact O-CA 3.17Å; A362-R366 PolarHBondContact O-N 3.34Å; R366-D368 IonicContact CZ-OD1 3.72Å; R366-D368 IonicContact CZ-OD2 2.82Å; R366-D368 IonicContact NE-OD1 2.8Å; R366-D368 PolarHBondContact NE-OD1 2.87Å; R366-D368 IonicContact NE-OD2 3.91Å; R366-D368 PolarHBondContact NE-OD2 3.16Å; R366-D368 IonicContact NH2-OD1 2.74Å; R366-D368 IonicContact NH2-OD2 3.79Å; R366-D368 PolarHBondContact NH2-OD2 3.04Å; R366-D368 PolarHBondContact O-N 3.26Å; R366-D368 VanDerWaalsContact O-N 3.12Å; R366-I369 HydrophobicContact CB-CD1 3.72Å; R366-I369 HydrophobicContact CB-CG1 3.95Å; R366-I369 WeakPolarHBondContact O-CD1 3.24Å; R366-I369 WeakPolarHBondContact O-CG1 3.29Å; R366-I369 PolarHBondContact O-N 3.14Å
367P94.5Very high97.6Very high95 Ų9537.7 Ų37.762%0.61718%0.18SC*.THydrogen-bonded Turntrans-68.7-7.5-17929.4-36.6000113.9I369P367-I369 VanDerWaalsContact C-N 3.35Å
368D95.5Very high97.5Very high42 Ų4236.5 Ų36.523%0.22517%0.173CC..THydrogen-bonded Turntrans-82.9-7175.661.8-49.1000113.9S345 R366 N370S345-D368 WeakPolarHBondContact CB-OD2 3.3Å; R366-D368 IonicContact CZ-OD1 3.72Å; R366-D368 IonicContact CZ-OD2 2.82Å; R366-D368 IonicContact NE-OD1 2.8Å; R366-D368 PolarHBondContact NE-OD1 2.87Å; R366-D368 IonicContact NE-OD2 3.91Å; R366-D368 PolarHBondContact NE-OD2 3.16Å; R366-D368 IonicContact NH2-OD1 2.74Å; R366-D368 IonicContact NH2-OD2 3.79Å; R366-D368 PolarHBondContact NH2-OD2 3.04Å; R366-D368 PolarHBondContact O-N 3.26Å; R366-D368 VanDerWaalsContact O-N 3.12Å; D368-N370 PolarHBondContact O-N 3.46Å; D368-N370 PolarHBondContact O-ND2 2.77Å; D368-N370 PolarHBondContact O-OD1 3.49Å
369I98.3Very high97.4Very high0 Ų036.6 Ų36.60%017%0.174CC..  trans-60131.4169.7-62.8163.2000109.3L340 I349 L351 A362 L363 R366 P367 I372 T406L340-I369 HydrophobicContact CD1-CD1 4.05Å; L340-I369 HydrophobicContact CD1-CG1 4.23Å; I349-I369 HydrophobicContact CG2-CG1 4.13Å; I349-I369 HydrophobicContact CG2-CG2 4.4Å; L351-I369 HydrophobicContact CB-CG2 4.11Å; L351-I369 HydrophobicContact CD2-CD1 3.91Å; A362-I369 HydrophobicContact CB-CD1 4.03Å; L363-I369 HydrophobicContact CD2-CB 4.19Å; R366-I369 HydrophobicContact CB-CD1 3.72Å; R366-I369 HydrophobicContact CB-CG1 3.95Å; R366-I369 WeakPolarHBondContact O-CD1 3.24Å; R366-I369 WeakPolarHBondContact O-CG1 3.29Å; R366-I369 PolarHBondContact O-N 3.14Å; P367-I369 VanDerWaalsContact C-N 3.35Å; I369-I372 HydrophobicContact CG2-CD1 4.23Å; I369-I372 HydrophobicContact CG2-CG1 3.66Å; I369-T406 WeakPolarHBondContact O-CB 3.48Å; I369-T406 WeakPolarHBondContact O-CG2 3.43Å; I369-T406 PolarHBondContact O-OG1 3.47Å
370N98.4Very high97.2Very high6 Ų636.9 Ų36.93%0.03218%0.177CC..  trans-96.2-31.3-174.1-52.2108.7000113V194 H195 A348 I349 D368 T406 F407V194-N370 HydrophobicContact CG1-CB 3.78Å; H195-N370 PolarHBondContact O-OD1 3.15Å; A348-N370 VanDerWaalsContact CA-OD1 3.28Å; A348-N370 WeakPolarHBondContact CA-OD1 3.38Å; I349-N370 PolarHBondContact N-OD1 3.42Å; I349-N370 PolarHBondContact O-N 2.93Å; D368-N370 PolarHBondContact O-N 3.46Å; D368-N370 PolarHBondContact O-ND2 2.77Å; D368-N370 PolarHBondContact O-OD1 3.49Å; N370-T406 CarbonylContact O-C 3.59Å; N370-T406 WeakPolarHBondContact O-CA 3.19Å; N370-F407 PolarHBondContact O-N 3.28Å
371L98.8Very high97.1Very high0 Ų032.4 Ų32.40%016%0.157CC..EExtended strand (participates in β ladder)trans-145.5131.6178.2176.157.1000110.4V192 V194 I349 V350 L351 L373 F407 I432 L434V192-L371 HydrophobicContact CG1-CD1 4.2Å; V192-L371 HydrophobicContact CG1-CD2 4.4Å; V194-L371 HydrophobicContact CG2-CD2 4.28Å; I349-L371 PolarHBondContact O-N 3.29Å; V350-L371 CarbonylContact C-O 3.57Å; V350-L371 VanDerWaalsContact CA-O 3.31Å; V350-L371 WeakPolarHBondContact CA-O 3.44Å; V350-L371 HydrophobicContact CG1-CB 4.36Å; V350-L371 HydrophobicContact CG1-CD2 4.22Å; V350-L371 HydrophobicContact CG1-CG 4.24Å; V350-L371 HydrophobicContact CG2-CB 4.27Å; V350-L371 HydrophobicContact CG2-CD2 4.47Å; L351-L371 PolarHBondContact N-O 3.14Å; L371-L373 HydrophobicContact CD1-CD2 3.85Å; L371-L373 HydrophobicContact CD2-CD2 4Å; L371-L373 HydrophobicContact CG-CD2 3.89Å; L371-L373 HydrophobicContact CG-CG 4.32Å; L371-F407 CarbonylContact C-O 3.59Å; L371-F407 VanDerWaalsContact CA-O 3.3Å; L371-F407 WeakPolarHBondContact CA-O 3.33Å; L371-F407 HydrophobicContact CD1-CB 3.94Å; L371-I432 HydrophobicContact CD2-CG2 4.22Å; L371-L434 HydrophobicContact CD2-CD2 3.79Å
372I98.9Very high96.9Very high0 Ų026.9 Ų26.90%014%0.136CC..EExtended strand (participates in β ladder)trans-114.6130.5167.2-50.5-175.2000109.2L351 A353 A359 A362 L363 I369 F407 V408 Y409L351-I372 HydrophobicContact CB-CG1 4.23Å; L351-I372 HydrophobicContact CD2-CD1 4.2Å; L351-I372 HydrophobicContact CD2-CG1 4.42Å; L351-I372 CarbonylContact O-C 3.56Å; L351-I372 VanDerWaalsContact O-CA 3.28Å; L351-I372 WeakPolarHBondContact O-CA 3.3Å; A353-I372 HydrophobicContact CB-CG2 4.08Å; A359-I372 HydrophobicContact CB-CB 4.36Å; A359-I372 HydrophobicContact CB-CD1 4.06Å; A359-I372 HydrophobicContact CB-CG2 3.69Å; A359-I372 WeakPolarHBondContact O-CD1 3.45Å; A362-I372 HydrophobicContact CB-CD1 4.16Å; L363-I372 HydrophobicContact CD1-CD1 4.2Å; L363-I372 HydrophobicContact CD2-CD1 3.64Å; L363-I372 HydrophobicContact CD2-CG1 4.37Å; L363-I372 HydrophobicContact CG-CD1 3.61Å; I369-I372 HydrophobicContact CG2-CD1 4.23Å; I369-I372 HydrophobicContact CG2-CG1 3.66Å; I372-F407 PolarHBondContact N-O 3.1Å; I372-V408 HydrophobicContact CB-CG1 4.48Å; I372-V408 HydrophobicContact CB-CG2 4.28Å; I372-V408 CarbonylContact O-C 3.53Å; I372-V408 WeakPolarHBondContact O-CA 3.26Å; I372-Y409 PolarHBondContact O-N 2.87Å
373L98.9Very high96.6Very high1 Ų130.2 Ų30.21%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-106.2126.8173-55.7-178.6000108.9V206 L208 V239 V241 V350 L351 L352 A353 L371 I432V206-L373 HydrophobicContact CG1-CD1 4.32Å; L208-L373 HydrophobicContact CD1-CB 4.34Å; L208-L373 HydrophobicContact CD2-CB 4.33Å; L208-L373 HydrophobicContact CD2-CD2 4.49Å; V239-L373 HydrophobicContact CG2-CD1 3.98Å; V241-L373 WeakPolarHBondContact CG1-O 3.42Å; V241-L373 HydrophobicContact CG2-CB 4.45Å; V350-L373 HydrophobicContact CG1-CD1 4.42Å; V350-L373 HydrophobicContact CG1-CG 4.48Å; L351-L373 PolarHBondContact O-N 3.41Å; L352-L373 HydrophobicContact CD2-CB 3.94Å; L352-L373 HydrophobicContact CD2-CD1 3.87Å; L352-L373 HydrophobicContact CD2-CG 4.25Å; A353-L373 PolarHBondContact N-O 2.79Å; A353-L373 VanDerWaalsContact N-O 3.07Å; L371-L373 HydrophobicContact CD1-CD2 3.85Å; L371-L373 HydrophobicContact CD2-CD2 4Å; L371-L373 HydrophobicContact CG-CD2 3.89Å; L371-L373 HydrophobicContact CG-CG 4.32Å; L373-I432 HydrophobicContact CD2-CD1 4.48Å; L373-I432 HydrophobicContact CD2-CG1 4.17Å
374S98.8Very high96.3Very high0 Ų030.3 Ų30.30%015%0.153CC..EExtended strand (participates in β ladder)trans-137.2166-175.3-63.20000112A353 Y409 V410 S411A353-S374 VanDerWaalsContact O-CA 3.24Å; A353-S374 WeakPolarHBondContact O-CA 3.37Å; A353-S374 VanDerWaalsContact O-CB 3.23Å; A353-S374 WeakPolarHBondContact O-CB 3.42Å; A353-S374 PolarHBondContact O-OG 2.83Å; S374-Y409 PolarHBondContact N-O 3.32Å; S374-V410 WeakPolarHBondContact O-CA 3.32Å; S374-S411 PolarHBondContact O-N 3.22Å
375G98.3Very high96.1Very high0 Ų027.2 Ų27.20%014%0.14CC..  trans-136.7-124.8175.900000111.3S210 H354 T377S210-G375 VanDerWaalsContact OG-CA 3.31Å; S210-G375 WeakPolarHBondContact OG-CA 3.29Å; H354-G375 CarbonylContact O-C 3.58Å; H354-G375 PolarHBondContact O-N 2.91Å; G375-T377 PolarHBondContact O-N 3.41Å
376H97.9Very high96Very high48 Ų4822.6 Ų22.622%0.22212%0.12CC..  trans72.1-37.2168.7-17673.8000115.8D211 N274 H354 Q355 H378D211-H376 VanDerWaalsContact OD1-CA 3.25Å; D211-H376 WeakPolarHBondContact OD1-CA 3.33Å; D211-H376 PolarHBondContact OD1-N 3.35Å; D211-H376 VanDerWaalsContact OD1-N 3.15Å; D211-H376 PolarHBondContact OD2-N 3.02Å; N274-H376 PolarHBondContact OD1-CE1 3.28Å; N274-H376 PolarHBondContact OD1-ND1 3.47Å; H354-H376 AromaticContact CD2-ND1 3.91Å; H354-H376 PolarHBondContact CE1-N 3.46Å; H354-H376 WeakPolarHBondContact NE2-CB 3.49Å; H354-H376 AromaticContact NE2-CG 3.86Å; H354-H376 AromaticContact NE2-ND1 3.51Å; Q355-H376 HydrophobicContact CG-CB 4.1Å; H376-H378 VanDerWaalsContact C-N 3.28Å; H376-H378 PolarHBondContact O-CD2 3.05Å; H376-H378 PolarHBondContact O-N 3.3Å
377T96.6Very high95.8Very high7 Ų722 Ų224%0.04313%0.128CC..SBendtrans-75-21.3-171.671.90000112.9P356 G375 G379 G380 N393 F396 V410P356-T377 HydrophobicContact CG-CG2 3.58Å; G375-T377 PolarHBondContact O-N 3.41Å; T377-G379 PolarHBondContact O-N 2.9Å; T377-G379 PolarHBondContact OG1-N 2.65Å; T377-G379 VanDerWaalsContact OG1-N 3.16Å; T377-G380 WeakPolarHBondContact O-CA 3.28Å; T377-G380 PolarHBondContact O-N 3.29Å; T377-N393 HydrophobicContact CG2-CB 4.23Å; T377-F396 WeakPolarHBondContact CB-O 3.25Å; T377-F396 WeakPolarHBondContact CG2-O 3.4Å; T377-F396 PolarHBondContact OG1-O 2.94Å; T377-V410 HydrophobicContact CG2-CG1 3.8Å
378H96.4Very high95.6Very high8 Ų819 Ų194%0.03712%0.115CC..G310 helixtrans5415.1-168.8-74.9-100.8000114.7D211 H213 H376 G380 Q381 P412 F417 R422D211-H378 WeakPolarHBondContact CB-CE1 3.44Å; D211-H378 WeakPolarHBondContact CB-NE2 3.44Å; D211-H378 IonicContact OD1-CD2 3.77Å; D211-H378 PolarHBondContact OD1-CD2 3.21Å; D211-H378 IonicContact OD1-CE1 2.73Å; D211-H378 IonicContact OD1-NE2 3.63Å; D211-H378 PolarHBondContact OD1-NE2 3.46Å; H213-H378 AromaticContact CD2-CE1 3.48Å; H213-H378 PolarHBondContact CD2-CE1 3.46Å; H213-H378 VanDerWaalsContact CD2-CE1 3.48Å; H213-H378 AromaticContact CD2-NE2 3.71Å; H213-H378 AromaticContact NE2-CE1 3.3Å; H213-H378 PolarHBondContact NE2-CE1 3.13Å; H213-H378 VanDerWaalsContact NE2-CE1 3.3Å; H213-H378 AromaticContact NE2-NE2 3Å; H213-H378 PolarHBondContact NE2-NE2 3.02Å; H376-H378 VanDerWaalsContact C-N 3.28Å; H376-H378 PolarHBondContact O-CD2 3.05Å; H376-H378 PolarHBondContact O-N 3.3Å; H378-G380 PolarHBondContact O-N 3.38Å; H378-G380 VanDerWaalsContact O-N 3.16Å; H378-Q381 HydrophobicContact CB-CB 3.88Å; H378-Q381 PolarHBondContact ND1-OE1 2.93Å; H378-Q381 PolarHBondContact O-N 2.68Å; H378-P412 CarbonylContact C-O 3.52Å; H378-P412 WeakPolarHBondContact CA-O 3.47Å; H378-F417 AromaticContact CE1-CD1 3.98Å; H378-F417 PolarHBondContact CE1-N 2.96Å; H378-F417 AromaticContact NE2-CD1 3.91Å; H378-R422 PolarHBondContact O-NH1 2.72Å
379G95.4Very high95.4Very high4 Ų418 Ų184%0.04111%0.111CC..G310 helixtrans54.828.2-163.400000112.2T377 Q381 F396 S425T377-G379 PolarHBondContact O-N 2.9Å; T377-G379 PolarHBondContact OG1-N 2.65Å; T377-G379 VanDerWaalsContact OG1-N 3.16Å; G379-Q381 VanDerWaalsContact C-N 3.33Å; G379-F396 WeakPolarHBondContact O-CZ 3.34Å; G379-S425 WeakPolarHBondContact O-CB 2.81Å
380G94.3Very high95.2Very high6 Ų624.2 Ų24.26%0.06214%0.136CC..G310 helixtrans81.72.2-174.900000116.4T377 H378 M382 N386T377-G380 WeakPolarHBondContact O-CA 3.28Å; T377-G380 PolarHBondContact O-N 3.29Å; H378-G380 PolarHBondContact O-N 3.38Å; H378-G380 VanDerWaalsContact O-N 3.16Å; G380-M382 PolarHBondContact O-N 2.89Å; G380-N386 VanDerWaalsContact CA-CA 3.5Å; G380-N386 PolarHBondContact O-N 2.99Å
381Q95.1Very high95Very high1 Ų131.7 Ų31.71%0.00517%0.168CC..SBendtrans48-66.7-174.4-169.6158.8-7400115H378 G379 F417 I419 M421 R422 L423 S425H378-Q381 HydrophobicContact CB-CB 3.88Å; H378-Q381 PolarHBondContact ND1-OE1 2.93Å; H378-Q381 PolarHBondContact O-N 2.68Å; G379-Q381 VanDerWaalsContact C-N 3.33Å; Q381-F417 HydrophobicContact CB-CE1 4.22Å; Q381-F417 PolarHBondContact NE2-O 3.48Å; Q381-I419 PolarHBondContact NE2-O 3.29Å; Q381-M421 VanDerWaalsContact CG-O 3.3Å; Q381-M421 WeakPolarHBondContact CG-O 3.18Å; Q381-R422 CarbonylContact O-C 3.54Å; Q381-R422 VanDerWaalsContact O-CA 3.28Å; Q381-R422 WeakPolarHBondContact O-CA 3.44Å; Q381-L423 PolarHBondContact O-N 3.33Å; Q381-S425 PolarHBondContact O-OG 3.46Å
382M95.2Very high94.7Very high0 Ų038.3 Ų38.30%020%0.203CC..BIsolated β-bridgetrans-140.9144.5-178.357.9174.2-77.500112.7G123 I126 I127 G380 L385 N386 I419 L423G123-M382 WeakPolarHBondContact O-CE 3.48Å; I126-M382 HydrophobicContact CB-CE 4.39Å; I126-M382 HydrophobicContact CG2-CE 4.39Å; I127-M382 HydrophobicContact CD1-CE 3.74Å; I127-M382 HydrophobicContact CG1-CE 3.49Å; I127-M382 VanDerWaalsContact CG1-CE 3.49Å; G380-M382 PolarHBondContact O-N 2.89Å; M382-L385 HydrophobicContact CG-CD1 4.01Å; M382-L385 HydrophobicContact CG-CG 4.38Å; M382-L385 WeakPolarHBondContact O-CA 3.45Å; M382-L385 VanDerWaalsContact O-CB 3.28Å; M382-L385 WeakPolarHBondContact O-CB 3.34Å; M382-L385 PolarHBondContact O-N 2.89Å; M382-N386 PolarHBondContact O-N 3.13Å; M382-I419 HydrophobicContact SD-CB 4.44Å; M382-I419 HydrophobicContact SD-CD1 3.98Å; M382-I419 HydrophobicContact SD-CG2 3.71Å; M382-L423 CarbonylContact C-O 3.59Å; M382-L423 WeakPolarHBondContact CA-O 3.39Å; M382-L423 HydrophobicContact CB-CB 4.03Å
383F90.4Very high94.6Very high71 Ų7139.6 Ų39.631%0.31121%0.21SC..THydrogen-bonded Turntrans-59137.9165.9-179.6-92.7000111.4F130 F131 N386 L423F130-F383 AromaticContact CD1-CE1 3.57Å; F130-F383 HydrophobicContact CD1-CE1 3.57Å; F130-F383 HydrophobicContact CD1-CZ 4.04Å; F130-F383 AromaticContact CE1-CE1 3.28Å; F130-F383 HydrophobicContact CE1-CE1 3.28Å; F130-F383 AromaticContact CE1-CZ 3.29Å; F130-F383 HydrophobicContact CE1-CZ 3.29Å; F130-F383 HydrophobicContact CE2-CZ 4.29Å; F130-F383 HydrophobicContact CG-CE1 4.41Å; F130-F383 AromaticContact CZ-CE1 3.88Å; F130-F383 HydrophobicContact CZ-CE1 3.88Å; F130-F383 HydrophobicContact CZ-CE2 4.43Å; F130-F383 AromaticContact CZ-CZ 3.44Å; F130-F383 HydrophobicContact CZ-CZ 3.44Å; F130-F383 VanDerWaalsContact CZ-CZ 3.44Å; F131-F383 HydrophobicContact CE2-CE1 4.5Å; F131-F383 HydrophobicContact CZ-CE1 4.18Å; F383-N386 WeakPolarHBondContact CA-OD1 3.25Å; F383-L423 HydrophobicContact CB-CB 4.37Å; F383-L423 PolarHBondContact N-O 2.91Å; F383-L423 VanDerWaalsContact N-O 3.08Å
384P91.9Very high94.5Very high24 Ų2442 Ų4216%0.15623%0.226CC..THydrogen-bonded Turncis-92.35.7240.1-40.6000114.7F130 N386 A387F130-P384 HydrophobicContact CB-CG 3.86Å; F130-P384 HydrophobicContact CD1-CB 4.49Å; F130-P384 HydrophobicContact CD2-CB 3.59Å; F130-P384 HydrophobicContact CD2-CG 3.54Å; F130-P384 HydrophobicContact CE2-CB 3.77Å; F130-P384 HydrophobicContact CE2-CG 4.25Å; F130-P384 HydrophobicContact CG-CB 3.97Å; F130-P384 HydrophobicContact CG-CG 3.7Å; F130-P384 HydrophobicContact CZ-CB 4.33Å; P384-N386 PolarHBondContact O-N 3.47Å; P384-N386 PolarHBondContact O-OD1 3.11Å; P384-A387 PolarHBondContact O-N 3.5Å
385L92.9Very high94.4Very high67 Ų6743.2 Ų43.235%0.35123%0.231SC..Hα-helixtrans-61.6-27.9-177.2-55.4-178.4000112.1I126 M382 A387 G388 A389I126-L385 HydrophobicContact CD1-CD1 4.35Å; I126-L385 HydrophobicContact CG2-CD2 4.09Å; I126-L385 HydrophobicContact CG2-CG 4.36Å; M382-L385 HydrophobicContact CG-CD1 4.01Å; M382-L385 HydrophobicContact CG-CG 4.38Å; M382-L385 WeakPolarHBondContact O-CA 3.45Å; M382-L385 VanDerWaalsContact O-CB 3.28Å; M382-L385 WeakPolarHBondContact O-CB 3.34Å; M382-L385 PolarHBondContact O-N 2.89Å; L385-A387 VanDerWaalsContact C-N 3.31Å; L385-A387 PolarHBondContact O-N 2.91Å; L385-G388 PolarHBondContact O-N 3.46Å; L385-G388 VanDerWaalsContact O-N 3.13Å; L385-A389 PolarHBondContact O-N 3.47Å
386N92.9Very high94.3Very high35 Ų3544.9 Ų44.919%0.18724%0.238CC..Hα-helixtrans-56.9-37.2176.465.3-18000115.1G380 M382 F383 P384 A389 Y390G380-N386 VanDerWaalsContact CA-CA 3.5Å; G380-N386 PolarHBondContact O-N 2.99Å; M382-N386 PolarHBondContact O-N 3.13Å; F383-N386 WeakPolarHBondContact CA-OD1 3.25Å; P384-N386 PolarHBondContact O-N 3.47Å; P384-N386 PolarHBondContact O-OD1 3.11Å; N386-A389 PolarHBondContact O-N 3.04Å; N386-Y390 WeakPolarHBondContact O-CB 3.38Å; N386-Y390 PolarHBondContact O-N 3.39Å
387A91.4Very high94.3Very high47 Ų4745.2 Ų45.239%0.38824%0.244SC..Hα-helixtrans-64.1-43.6176.100000111.1P384 L385 Y390 F391P384-A387 PolarHBondContact O-N 3.5Å; L385-A387 VanDerWaalsContact C-N 3.31Å; L385-A387 PolarHBondContact O-N 2.91Å; A387-Y390 PolarHBondContact O-N 2.79Å; A387-F391 WeakPolarHBondContact O-CD2 3.38Å; A387-F391 PolarHBondContact O-N 2.92Å
388G90.9Very high94.4Very high33 Ų3345.8 Ų45.834%0.3425%0.251SS..Hα-helixtrans-62.1-48.3176.100000111.8L385 Y390 F391 L392L385-G388 PolarHBondContact O-N 3.46Å; L385-G388 VanDerWaalsContact O-N 3.13Å; G388-Y390 VanDerWaalsContact C-N 3.27Å; G388-Y390 PolarHBondContact O-N 2.87Å; G388-F391 PolarHBondContact O-N 3.18Å; G388-F391 VanDerWaalsContact O-N 3.16Å; G388-L392 WeakPolarHBondContact O-CB 3.4Å; G388-L392 VanDerWaalsContact O-CG 3.23Å; G388-L392 WeakPolarHBondContact O-CG 3.45Å; G388-L392 PolarHBondContact O-N 3.39Å
389A92.6Very high94.5Very high19 Ų1948.6 Ų48.616%0.15727%0.266CS..Hα-helixtrans-58.4-38.1178.100000112.7L385 N386 N393 F396L385-A389 PolarHBondContact O-N 3.47Å; N386-A389 PolarHBondContact O-N 3.04Å; A389-N393 PolarHBondContact O-N 3.05Å; A389-N393 PolarHBondContact O-ND2 3.17Å; A389-F396 HydrophobicContact CB-CD2 4.46Å; A389-F396 HydrophobicContact CB-CE2 3.85Å
390Y94.1Very high94.6Very high131 Ų13151.8 Ų51.851%0.51428%0.277SS..Hα-helixtrans-62.7-43.5175.8179-96.6000112.9N386 A387 G388 F396N386-Y390 WeakPolarHBondContact O-CB 3.38Å; N386-Y390 PolarHBondContact O-N 3.39Å; A387-Y390 PolarHBondContact O-N 2.79Å; G388-Y390 VanDerWaalsContact C-N 3.27Å; G388-Y390 PolarHBondContact O-N 2.87Å; Y390-F396 HydrophobicContact CD2-CB 3.92Å; Y390-F396 AromaticContact CD2-CD1 3.67Å; Y390-F396 HydrophobicContact CD2-CD1 3.67Å; Y390-F396 HydrophobicContact CD2-CD2 4.46Å; Y390-F396 HydrophobicContact CD2-CE1 4.28Å; Y390-F396 AromaticContact CD2-CG 3.76Å; Y390-F396 HydrophobicContact CD2-CG 3.76Å; Y390-F396 HydrophobicContact CE2-CB 4.49Å; Y390-F396 HydrophobicContact CE2-CD1 4.47Å
391F93.8Very high94.8Very high163 Ų16358 Ų5872%0.71530%0.302SS*.Hα-helixtrans-80.1-24.7-177.9-70.3-62.2000114.1A387 G388A387-F391 WeakPolarHBondContact O-CD2 3.38Å; A387-F391 PolarHBondContact O-N 2.92Å; G388-F391 PolarHBondContact O-N 3.18Å; G388-F391 VanDerWaalsContact O-N 3.16Å
392L92.8Very high94.8Very high140 Ų14060.2 Ų60.273%0.73332%0.316SS*.Hα-helixtrans-88.5-15.3-175.5-67.5172.4000113.6G388G388-L392 WeakPolarHBondContact O-CB 3.4Å; G388-L392 VanDerWaalsContact O-CG 3.23Å; G388-L392 WeakPolarHBondContact O-CG 3.45Å; G388-L392 PolarHBondContact O-N 3.39Å
393N95.4Very high94.5Very high26 Ų2663.3 Ų63.314%0.13935%0.347CS..  trans-111.4138.5-177.4-71.3-81.2000111.9P356 T377 A389 F395P356-N393 HydrophobicContact CB-CB 4.42Å; T377-N393 HydrophobicContact CG2-CB 4.23Å; A389-N393 PolarHBondContact O-N 3.05Å; A389-N393 PolarHBondContact O-ND2 3.17Å; N393-F395 WeakPolarHBondContact CB-O 3.39Å; N393-F395 PolarHBondContact O-N 3.34Å
394P96.5Very high94.4Very high52 Ų5267.4 Ų67.434%0.33837%0.367SS..SBendtrans-66.7-26.8176.827.9-35.9000113.1P356 V357 K360P356-P394 HydrophobicContact CB-CG 4.04Å; P356-P394 VanDerWaalsContact O-CG 3.24Å; P356-P394 WeakPolarHBondContact O-CG 3.46Å; V357-P394 HydrophobicContact CG2-CG 4.32Å; K360-P394 HydrophobicContact CB-CB 4.29Å; K360-P394 HydrophobicContact CB-CG 4.01Å; K360-P394 HydrophobicContact CD-CB 3.78Å; K360-P394 HydrophobicContact CD-CG 4.19Å
395F97.4Very high94.4Very high25 Ų2569.5 Ų69.511%0.1138%0.378CS..SBendtrans-132.3133.2173.5-50.6-74.4000107.6P356 K360 N393 Y400 V402 V408 V410P356-F395 HydrophobicContact CB-CB 4.15Å; P356-F395 HydrophobicContact CB-CD2 4.26Å; P356-F395 WeakPolarHBondContact CB-O 3.06Å; P356-F395 WeakPolarHBondContact CG-O 3.45Å; K360-F395 HydrophobicContact CB-CE2 4.24Å; N393-F395 WeakPolarHBondContact CB-O 3.39Å; N393-F395 PolarHBondContact O-N 3.34Å; F395-Y400 HydrophobicContact CB-CD2 4.01Å; F395-Y400 HydrophobicContact CB-CE2 3.84Å; F395-Y400 AromaticContact CD1-CD1 3.89Å; F395-Y400 HydrophobicContact CD1-CD1 3.89Å; F395-Y400 AromaticContact CD1-CD2 3.96Å; F395-Y400 HydrophobicContact CD1-CD2 3.96Å; F395-Y400 HydrophobicContact CD1-CE1 4.35Å; F395-Y400 HydrophobicContact CD1-CE2 4.41Å; F395-Y400 AromaticContact CD1-CG 3.67Å; F395-Y400 HydrophobicContact CD1-CG 3.67Å; F395-Y400 HydrophobicContact CE1-CG 4.36Å; F395-Y400 HydrophobicContact CG-CD2 4.35Å; F395-Y400 HydrophobicContact CG-CG 4.5Å; F395-V402 HydrophobicContact CE1-CG2 3.77Å; F395-V402 HydrophobicContact CZ-CG2 3.87Å; F395-V408 HydrophobicContact CD2-CB 4.5Å; F395-V408 HydrophobicContact CD2-CG1 3.9Å; F395-V408 HydrophobicContact CE2-CB 4.46Å; F395-V408 HydrophobicContact CE2-CG1 4.21Å; F395-V408 HydrophobicContact CE2-CG2 4.11Å; F395-V408 HydrophobicContact CG-CG1 4.13Å; F395-V408 HydrophobicContact CZ-CG2 4.07Å; F395-V410 HydrophobicContact CB-CG2 3.56Å
396F97.1Very high94.6Very high35 Ų3566.9 Ų66.915%0.15436%0.364CS..  trans-100.5-61.7-171.3179.1-124.4000112.9T377 G379 A389 Y390 Y400 V410T377-F396 WeakPolarHBondContact CB-O 3.25Å; T377-F396 WeakPolarHBondContact CG2-O 3.4Å; T377-F396 PolarHBondContact OG1-O 2.94Å; G379-F396 WeakPolarHBondContact O-CZ 3.34Å; A389-F396 HydrophobicContact CB-CD2 4.46Å; A389-F396 HydrophobicContact CB-CE2 3.85Å; Y390-F396 HydrophobicContact CD2-CB 3.92Å; Y390-F396 AromaticContact CD2-CD1 3.67Å; Y390-F396 HydrophobicContact CD2-CD1 3.67Å; Y390-F396 HydrophobicContact CD2-CD2 4.46Å; Y390-F396 HydrophobicContact CD2-CE1 4.28Å; Y390-F396 AromaticContact CD2-CG 3.76Å; Y390-F396 HydrophobicContact CD2-CG 3.76Å; Y390-F396 HydrophobicContact CE2-CB 4.49Å; Y390-F396 HydrophobicContact CE2-CD1 4.47Å; F396-Y400 PolarHBondContact N-OH 3.39Å; F396-V410 WeakPolarHBondContact O-CG1 3.31Å
397V97.2Very high94.9Very high56 Ų5666 Ų6634%0.33936%0.359SS..SBendtrans-156.8141.7178.967.10000110.1Y400 P412V397-Y400 PolarHBondContact N-OH 2.9Å; V397-Y400 PolarHBondContact O-OH 2.99Å; V397-P412 HydrophobicContact CG2-CB 3.7Å; V397-P412 HydrophobicContact CG2-CG 4.11Å
398G97.7Very high95.3Very high18 Ų1863.8 Ų63.819%0.18634%0.34CS..EExtended strand (participates in β ladder)trans93.9-166174.900000114.4Y400 Y409 V410G398-Y400 WeakPolarHBondContact O-CD2 3.34Å; G398-Y409 WeakPolarHBondContact O-CA 3.47Å; G398-V410 PolarHBondContact N-O 3.47Å; G398-V410 PolarHBondContact O-N 3.44Å
399L98.4Very high95.6Very high67 Ų6762.3 Ų62.335%0.35133%0.325SS..EExtended strand (participates in β ladder)trans-90.6124.5-175.6-173.168.7000111.3V190 V192 F407 Y409V190-L399 HydrophobicContact CG1-CB 4.27Å; V190-L399 HydrophobicContact CG1-CD2 3.86Å; V190-L399 HydrophobicContact CG1-CG 4.46Å; V192-L399 HydrophobicContact CG2-CD1 3.88Å; V192-L399 HydrophobicContact CG2-CD2 4.22Å; L399-F407 HydrophobicContact CD1-CB 3.99Å; L399-F407 HydrophobicContact CD1-CD1 3.99Å; L399-F407 HydrophobicContact CD1-CG 4.38Å; L399-F407 HydrophobicContact CD2-CD1 4.16Å; L399-F407 HydrophobicContact CD2-CE1 4.48Å; L399-F407 HydrophobicContact CG-CD1 4.08Å; L399-Y409 HydrophobicContact CB-CD2 3.97Å; L399-Y409 HydrophobicContact CB-CE2 4.48Å; L399-Y409 HydrophobicContact CD1-CD2 4.12Å
400Y98.4Very high95.9Very high72 Ų7261.4 Ų61.428%0.28232%0.317SS..EExtended strand (participates in β ladder)trans-113.7130.3174.5-63.5-95000109.3F395 F396 V397 G398 F407 V408 V410F395-Y400 HydrophobicContact CB-CD2 4.01Å; F395-Y400 HydrophobicContact CB-CE2 3.84Å; F395-Y400 AromaticContact CD1-CD1 3.89Å; F395-Y400 HydrophobicContact CD1-CD1 3.89Å; F395-Y400 AromaticContact CD1-CD2 3.96Å; F395-Y400 HydrophobicContact CD1-CD2 3.96Å; F395-Y400 HydrophobicContact CD1-CE1 4.35Å; F395-Y400 HydrophobicContact CD1-CE2 4.41Å; F395-Y400 AromaticContact CD1-CG 3.67Å; F395-Y400 HydrophobicContact CD1-CG 3.67Å; F395-Y400 HydrophobicContact CE1-CG 4.36Å; F395-Y400 HydrophobicContact CG-CD2 4.35Å; F395-Y400 HydrophobicContact CG-CG 4.5Å; F396-Y400 PolarHBondContact N-OH 3.39Å; V397-Y400 PolarHBondContact N-OH 2.9Å; V397-Y400 PolarHBondContact O-OH 2.99Å; G398-Y400 WeakPolarHBondContact O-CD2 3.34Å; Y400-F407 CarbonylContact O-C 3.54Å; Y400-F407 VanDerWaalsContact O-CA 3.23Å; Y400-F407 WeakPolarHBondContact O-CA 3.43Å; Y400-V408 PolarHBondContact N-O 2.74Å; Y400-V408 PolarHBondContact O-N 3.14Å; Y400-V410 HydrophobicContact CE2-CG2 4.46Å
401K97.6Very high96.1Very high136 Ų13655.2 Ų55.259%0.59129%0.293SS*.EExtended strand (participates in β ladder)trans-89.5119.5166.2-173.2175.2-179.31720108.7G403 Q404 F407K401-G403 WeakPolarHBondContact CE-O 3.45Å; K401-Q404 WeakPolarHBondContact CE-O 2.96Å; K401-Q404 PolarHBondContact NZ-O 3.39Å; K401-Q404 VanDerWaalsContact NZ-O 3.08Å; K401-F407 HydrophobicContact CB-CD1 4.03Å; K401-F407 HydrophobicContact CB-CE1 3.74Å; K401-F407 HydrophobicContact CB-CZ 4.48Å; K401-F407 HydrophobicContact CD-CE1 4.07Å; K401-F407 HydrophobicContact CD-CZ 4.04Å; K401-F407 HydrophobicContact CG-CD1 4.28Å; K401-F407 HydrophobicContact CG-CE1 3.78Å; K401-F407 HydrophobicContact CG-CZ 4.02Å
402V95.6Very high96.3Very high48 Ų4847.8 Ų47.829%0.29126%0.261SS..EExtended strand (participates in β ladder)trans-112.6113179.6-173.50000107.8L363 F395 T406 V408L363-V402 HydrophobicContact CD1-CB 4.17Å; L363-V402 HydrophobicContact CD1-CG1 3.95Å; L363-V402 HydrophobicContact CD1-CG2 4.25Å; F395-V402 HydrophobicContact CE1-CG2 3.77Å; F395-V402 HydrophobicContact CZ-CG2 3.87Å; V402-T406 PolarHBondContact N-O 3.04Å; V402-T406 VanDerWaalsContact O-CB 3.29Å; V402-T406 WeakPolarHBondContact O-CB 3.49Å; V402-T406 VanDerWaalsContact O-O 3.11Å; V402-V408 HydrophobicContact CG2-CG2 3.96Å
403G90.1Very high96.5Very high64 Ų6441.1 Ų41.166%0.6623%0.226SC*.THydrogen-bonded Turntrans67.7-151-172.600000113.1K401K401-G403 WeakPolarHBondContact CE-O 3.45Å
404Q87.8Confident96.7Very high157 Ų15739.9 Ų39.973%0.73422%0.219SC*.THydrogen-bonded Turntrans-86.3-41.2-173.3-70.8-172.7-11.500113.8K401K401-Q404 WeakPolarHBondContact CE-O 2.96Å; K401-Q404 PolarHBondContact NZ-O 3.39Å; K401-Q404 VanDerWaalsContact NZ-O 3.08Å
405N92.6Very high96.7Very high69 Ų6937.6 Ų37.637%0.36920%0.204SC..THydrogen-bonded Turntrans-127.513.7-164.7-67.7-16.9000113.7H195H195-N405 HydrophobicContact CB-CB 3.79Å
406T97.2Very high96.6Very high11 Ų1136.7 Ų36.77%0.06720%0.2CC..EExtended strand (participates in β ladder)trans-124.3140.2-175.9-54.60000111.5L363 I369 N370 V402L363-T406 HydrophobicContact CD1-CG2 4.28Å; L363-T406 HydrophobicContact CD2-CG2 3.49Å; L363-T406 VanDerWaalsContact CD2-CG2 3.49Å; I369-T406 WeakPolarHBondContact O-CB 3.48Å; I369-T406 WeakPolarHBondContact O-CG2 3.43Å; I369-T406 PolarHBondContact O-OG1 3.47Å; N370-T406 CarbonylContact O-C 3.59Å; N370-T406 WeakPolarHBondContact O-CA 3.19Å; V402-T406 PolarHBondContact N-O 3.04Å; V402-T406 VanDerWaalsContact O-CB 3.29Å; V402-T406 WeakPolarHBondContact O-CB 3.49Å; V402-T406 VanDerWaalsContact O-O 3.11Å
407F98.6Very high96.5Very high17 Ų1738.3 Ų38.38%0.07521%0.207CC..EExtended strand (participates in β ladder)trans-126.5146.8177.6-66.2-91.7000111.1V192 P193 N370 L371 I372 L399 Y400 K401V192-F407 HydrophobicContact CG1-CB 3.89Å; V192-F407 HydrophobicContact CG1-CD1 4.35Å; V192-F407 HydrophobicContact CG1-CD2 3.76Å; V192-F407 HydrophobicContact CG1-CE2 4.4Å; V192-F407 HydrophobicContact CG1-CG 3.74Å; P193-F407 HydrophobicContact CG-CE2 3.81Å; P193-F407 HydrophobicContact CG-CZ 3.64Å; P193-F407 VanDerWaalsContact O-CE2 3.24Å; P193-F407 WeakPolarHBondContact O-CE2 3.34Å; N370-F407 PolarHBondContact O-N 3.28Å; L371-F407 CarbonylContact C-O 3.59Å; L371-F407 VanDerWaalsContact CA-O 3.3Å; L371-F407 WeakPolarHBondContact CA-O 3.33Å; L371-F407 HydrophobicContact CD1-CB 3.94Å; I372-F407 PolarHBondContact N-O 3.1Å; L399-F407 HydrophobicContact CD1-CB 3.99Å; L399-F407 HydrophobicContact CD1-CD1 3.99Å; L399-F407 HydrophobicContact CD1-CG 4.38Å; L399-F407 HydrophobicContact CD2-CD1 4.16Å; L399-F407 HydrophobicContact CD2-CE1 4.48Å; L399-F407 HydrophobicContact CG-CD1 4.08Å; Y400-F407 CarbonylContact O-C 3.54Å; Y400-F407 VanDerWaalsContact O-CA 3.23Å; Y400-F407 WeakPolarHBondContact O-CA 3.43Å; K401-F407 HydrophobicContact CB-CD1 4.03Å; K401-F407 HydrophobicContact CB-CE1 3.74Å; K401-F407 HydrophobicContact CB-CZ 4.48Å; K401-F407 HydrophobicContact CD-CE1 4.07Å; K401-F407 HydrophobicContact CD-CZ 4.04Å; K401-F407 HydrophobicContact CG-CD1 4.28Å; K401-F407 HydrophobicContact CG-CE1 3.78Å; K401-F407 HydrophobicContact CG-CZ 4.02Å
408V98.8Very high96.3Very high0 Ų035.8 Ų35.80%019%0.192CC..EExtended strand (participates in β ladder)trans-123.2125.7168.7-179.30000107.2A359 L363 I372 F395 Y400 V402 V410A359-V408 HydrophobicContact CB-CG1 4.21Å; L363-V408 HydrophobicContact CD1-CG2 3.7Å; I372-V408 HydrophobicContact CB-CG1 4.48Å; I372-V408 HydrophobicContact CB-CG2 4.28Å; I372-V408 CarbonylContact O-C 3.53Å; I372-V408 WeakPolarHBondContact O-CA 3.26Å; F395-V408 HydrophobicContact CD2-CB 4.5Å; F395-V408 HydrophobicContact CD2-CG1 3.9Å; F395-V408 HydrophobicContact CE2-CB 4.46Å; F395-V408 HydrophobicContact CE2-CG1 4.21Å; F395-V408 HydrophobicContact CE2-CG2 4.11Å; F395-V408 HydrophobicContact CG-CG1 4.13Å; F395-V408 HydrophobicContact CZ-CG2 4.07Å; Y400-V408 PolarHBondContact N-O 2.74Å; Y400-V408 PolarHBondContact O-N 3.14Å; V402-V408 HydrophobicContact CG2-CG2 3.96Å; V408-V410 HydrophobicContact CG1-CG2 4.2Å
409Y98.8Very high96.3Very high3 Ų335 Ų351%0.01218%0.184CC..EExtended strand (participates in β ladder)trans-111.6124173.6-174.2-89000109.7N188 V190 L208 I372 S374 G398 L399 E428 T430 I432N188-Y409 PolarHBondContact ND2-OH 3.43Å; V190-Y409 HydrophobicContact CB-CE2 4.49Å; V190-Y409 HydrophobicContact CG1-CD2 4.41Å; V190-Y409 HydrophobicContact CG1-CE2 4.42Å; V190-Y409 HydrophobicContact CG2-CE2 3.85Å; L208-Y409 HydrophobicContact CD2-CD1 3.55Å; L208-Y409 HydrophobicContact CD2-CE1 3.81Å; I372-Y409 PolarHBondContact O-N 2.87Å; S374-Y409 PolarHBondContact N-O 3.32Å; G398-Y409 WeakPolarHBondContact O-CA 3.47Å; L399-Y409 HydrophobicContact CB-CD2 3.97Å; L399-Y409 HydrophobicContact CB-CE2 4.48Å; L399-Y409 HydrophobicContact CD1-CD2 4.12Å; Y409-E428 PolarHBondContact OH-OE1 3.41Å; Y409-T430 HydrophobicContact CD1-CG2 4.42Å; Y409-T430 HydrophobicContact CE1-CG2 3.61Å; Y409-T430 WeakPolarHBondContact CE1-OG1 3.33Å; Y409-T430 HydrophobicContact CE2-CG2 4.14Å; Y409-T430 VanDerWaalsContact CZ-CG2 3.45Å; Y409-T430 WeakPolarHBondContact OH-CG2 3.37Å; Y409-T430 PolarHBondContact OH-OG1 3.25Å; Y409-I432 HydrophobicContact CD1-CD1 4.03Å; Y409-I432 HydrophobicContact CD2-CD1 4.1Å; Y409-I432 HydrophobicContact CE1-CD1 4.37Å; Y409-I432 HydrophobicContact CE2-CD1 4.43Å; Y409-I432 HydrophobicContact CG-CD1 3.9Å
410V98.7Very high96.2Very high0 Ų032.2 Ų32.20%017%0.17CC..EExtended strand (participates in β ladder)trans-110.9111.1176.2-1740000109.5P356 S374 T377 F395 F396 G398 Y400 V408P356-V410 HydrophobicContact CG-CG1 4.02Å; P356-V410 HydrophobicContact CG-CG2 4.14Å; S374-V410 WeakPolarHBondContact O-CA 3.32Å; T377-V410 HydrophobicContact CG2-CG1 3.8Å; F395-V410 HydrophobicContact CB-CG2 3.56Å; F396-V410 WeakPolarHBondContact O-CG1 3.31Å; G398-V410 PolarHBondContact N-O 3.47Å; G398-V410 PolarHBondContact O-N 3.44Å; Y400-V410 HydrophobicContact CE2-CG2 4.46Å; V408-V410 HydrophobicContact CG1-CG2 4.2Å
411S98.4Very high96.1Very high0 Ų028.8 Ų28.80%016%0.157CC..  trans-66.1138.3173.2-178.50000110.2S374 G413S374-S411 PolarHBondContact O-N 3.22Å; S411-G413 PolarHBondContact O-N 2.79Å; S411-G413 VanDerWaalsContact O-N 3.16Å; S411-G413 PolarHBondContact OG-N 3.28Å; S411-G413 VanDerWaalsContact OG-N 3.11Å
412P97.3Very high96.1Very high7 Ų722.4 Ų22.45%0.04513%0.129CC..  trans-72.66.8168.532.2-35000112.6H378 V397 R422 R426 E428H378-P412 CarbonylContact C-O 3.52Å; H378-P412 WeakPolarHBondContact CA-O 3.47Å; V397-P412 HydrophobicContact CG2-CB 3.7Å; V397-P412 HydrophobicContact CG2-CG 4.11Å; P412-R422 PolarHBondContact O-NH1 3.15Å; P412-R422 PolarHBondContact O-NH2 2.93Å; P412-R426 WeakPolarHBondContact CG-O 3.2Å; P412-E428 HydrophobicContact CG-CB 3.55Å; P412-E428 HydrophobicContact CG-CG 4.44Å
413G97.8Very high96.1Very high0 Ų020.8 Ų20.80%012%0.118CC..  trans90141.6-177.900000113S411 R422 A427 E428S411-G413 PolarHBondContact O-N 2.79Å; S411-G413 VanDerWaalsContact O-N 3.16Å; S411-G413 PolarHBondContact OG-N 3.28Å; S411-G413 VanDerWaalsContact OG-N 3.11Å; G413-R422 PolarHBondContact O-NH2 2.9Å; G413-A427 CarbonylContact O-C 3.58Å; G413-A427 WeakPolarHBondContact O-CA 3.3Å; G413-E428 PolarHBondContact O-N 3.46Å
414T98.4Very high96.2Very high0 Ų021.2 Ų21.20%012%0.123CC..SBendtrans-77.9-25.2-178.9-59.60000112.6P185 L209 S210 I212 I226 A427 E428 I429P185-T414 HydrophobicContact CG-CG2 4.29Å; P185-T414 WeakPolarHBondContact CG-O 3.36Å; L209-T414 WeakPolarHBondContact CA-OG1 3.49Å; L209-T414 HydrophobicContact CD2-CG2 4.09Å; S210-T414 PolarHBondContact N-OG1 2.86Å; S210-T414 VanDerWaalsContact N-OG1 3.09Å; S210-T414 WeakPolarHBondContact O-CA 3.45Å; S210-T414 WeakPolarHBondContact O-CB 3.41Å; S210-T414 PolarHBondContact O-N 2.83Å; S210-T414 PolarHBondContact O-OG1 2.87Å; I212-T414 HydrophobicContact CG1-CG2 4.26Å; I226-T414 HydrophobicContact CD1-CG2 3.86Å; I226-T414 HydrophobicContact CG1-CG2 4.05Å; I226-T414 HydrophobicContact CG2-CG2 3.93Å; T414-A427 WeakPolarHBondContact O-CB 3.38Å; T414-E428 WeakPolarHBondContact CA-O 3.43Å; T414-E428 PolarHBondContact OG1-O 3Å; T414-I429 HydrophobicContact CG2-CG1 3.94Å
415M96.9Very high96.5Very high4 Ų414.6 Ų14.62%0.029%0.094CC..SBendtrans-134.4-121.6171.4-74-59.7-4600111P185 D211 V218 K222 I226 R422P185-M415 HydrophobicContact CG-SD 4.17Å; D211-M415 PolarHBondContact O-N 2.9Å; V218-M415 HydrophobicContact CG1-CG 4.41Å; V218-M415 HydrophobicContact CG2-CB 4.47Å; K222-M415 HydrophobicContact CD-CE 3.64Å; K222-M415 HydrophobicContact CD-SD 4.46Å; I226-M415 HydrophobicContact CD1-CG 3.66Å; I226-M415 HydrophobicContact CD1-SD 4.06Å; M415-R422 PolarHBondContact O-NE 3.07Å; M415-R422 PolarHBondContact O-NH2 3.19Å
416Y96.2Very high96.6Very high6 Ų617.3 Ų17.32%0.02410%0.099CC..  trans-155.2150.9-179.651-111.1000107.7A181 V218 K222 I419 P420A181-Y416 HydrophobicContact CB-CD1 3.91Å; A181-Y416 HydrophobicContact CB-CE1 3.84Å; V218-Y416 HydrophobicContact CG2-CD2 4.17Å; V218-Y416 HydrophobicContact CG2-CE2 3.76Å; K222-Y416 VanDerWaalsContact NZ-CZ 3.33Å; K222-Y416 PolarHBondContact NZ-OH 3.08Å; Y416-I419 WeakPolarHBondContact CD2-O 3.25Å; Y416-P420 HydrophobicContact CD2-CB 4.48Å; Y416-P420 HydrophobicContact CE1-CB 4.21Å; Y416-P420 VanDerWaalsContact CE2-CA 3.46Å; Y416-P420 HydrophobicContact CE2-CB 3.69Å; Y416-P420 VanDerWaalsContact CZ-CA 3.47Å; Y416-P420 VanDerWaalsContact CZ-CB 3.49Å; Y416-P420 WeakPolarHBondContact OH-CB 3.36Å
417F93.1Very high96.6Very high69 Ų6917.2 Ų17.230%0.30310%0.099SC..SBendtrans-89.7132.3170.677.8-87.3000109.4H213 H378 Q381 I419H213-F417 WeakPolarHBondContact NE2-CB 3.25Å; H378-F417 AromaticContact CE1-CD1 3.98Å; H378-F417 PolarHBondContact CE1-N 2.96Å; H378-F417 AromaticContact NE2-CD1 3.91Å; Q381-F417 HydrophobicContact CB-CE1 4.22Å; Q381-F417 PolarHBondContact NE2-O 3.48Å; F417-I419 VanDerWaalsContact C-N 3.27Å; F417-I419 PolarHBondContact O-N 3.2Å
418G93.8Very high96.6Very high3 Ų317.3 Ų17.33%0.03110%0.1CC..SBendtrans51.3-71.6171.600000117.1Y119 T217 P420Y119-G418 WeakPolarHBondContact CB-O 3.33Å; Y119-G418 WeakPolarHBondContact CD1-O 3.23Å; Y119-G418 VanDerWaalsContact CG-O 3.23Å; T217-G418 WeakPolarHBondContact CB-O 3.48Å; T217-G418 WeakPolarHBondContact CG2-O 3.45Å; T217-G418 PolarHBondContact OG1-O 3.31Å; T217-G418 VanDerWaalsContact OG1-O 3.05Å; G418-P420 VanDerWaalsContact O-CD 3.29Å; G418-P420 WeakPolarHBondContact O-CD 3.42Å
419I96.9Very high96.6Very high3 Ų317.3 Ų17.32%0.01510%0.1CC..SBendtrans-69.9115.6-179.7-55.7167.4000110Y119 L122 I126 Q381 M382 Y416 F417 M421Y119-I419 HydrophobicContact CD1-CG1 4.42Å; L122-I419 HydrophobicContact CD2-CD1 4.21Å; L122-I419 HydrophobicContact CD2-CG1 3.98Å; L122-I419 HydrophobicContact CG-CD1 4.24Å; L122-I419 HydrophobicContact CG-CG1 4.23Å; I126-I419 HydrophobicContact CD1-CD1 3.75Å; Q381-I419 PolarHBondContact NE2-O 3.29Å; M382-I419 HydrophobicContact SD-CB 4.44Å; M382-I419 HydrophobicContact SD-CD1 3.98Å; M382-I419 HydrophobicContact SD-CG2 3.71Å; Y416-I419 WeakPolarHBondContact CD2-O 3.25Å; F417-I419 VanDerWaalsContact C-N 3.27Å; F417-I419 PolarHBondContact O-N 3.2Å; I419-M421 HydrophobicContact CG2-CB 4Å; I419-M421 HydrophobicContact CG2-CG 3.93Å; I419-M421 HydrophobicContact CG2-SD 4.27Å; I419-M421 PolarHBondContact O-N 3.4Å
420P96.7Very high96.6Very high8 Ų817.1 Ų17.15%0.05210%0.099CC..  trans-79.747.7-175.935.8-38.9000112.9T120 L178 A181 Y416 G418T120-P420 WeakPolarHBondContact OG1-CG 3.46Å; L178-P420 HydrophobicContact CD2-CG 4.07Å; L178-P420 WeakPolarHBondContact CD2-O 3.34Å; A181-P420 VanDerWaalsContact CB-O 3.22Å; A181-P420 WeakPolarHBondContact CB-O 3.4Å; Y416-P420 HydrophobicContact CD2-CB 4.48Å; Y416-P420 HydrophobicContact CE1-CB 4.21Å; Y416-P420 VanDerWaalsContact CE2-CA 3.46Å; Y416-P420 HydrophobicContact CE2-CB 3.69Å; Y416-P420 VanDerWaalsContact CZ-CA 3.47Å; Y416-P420 VanDerWaalsContact CZ-CB 3.49Å; Y416-P420 WeakPolarHBondContact OH-CB 3.36Å; G418-P420 VanDerWaalsContact O-CD 3.29Å; G418-P420 WeakPolarHBondContact O-CD 3.42Å
421M97.3Very high96.6Very high0 Ų017.8 Ų17.80%010%0.102CC..  trans-134.2143.7-176.7-60-175.4-164.700112T120 I127 T174 G177 L178 Q381 I419T120-M421 HydrophobicContact CG2-CE 3.73Å; T120-M421 WeakPolarHBondContact O-CE 3.29Å; I127-M421 HydrophobicContact CD1-SD 4.4Å; T174-M421 HydrophobicContact CG2-CE 3.51Å; T174-M421 HydrophobicContact CG2-SD 4.31Å; G177-M421 WeakPolarHBondContact O-CA 3.33Å; L178-M421 HydrophobicContact CD2-CE 4.33Å; L178-M421 HydrophobicContact CD2-CG 4.09Å; L178-M421 HydrophobicContact CG-CE 4.32Å; L178-M421 HydrophobicContact CG-CG 4.17Å; Q381-M421 VanDerWaalsContact CG-O 3.3Å; Q381-M421 WeakPolarHBondContact CG-O 3.18Å; I419-M421 HydrophobicContact CG2-CB 4Å; I419-M421 HydrophobicContact CG2-CG 3.93Å; I419-M421 HydrophobicContact CG2-SD 4.27Å; I419-M421 PolarHBondContact O-N 3.4Å
422R97.3Very high96.6Very high2 Ų217.8 Ų17.81%0.00810%0.102CC..  trans-129.4116.9168.6-78.1-165.6160.6-115.110.9112.2G177 N180 A181 H378 Q381 P412 G413 M415 S425 R426 A427G177-R422 WeakPolarHBondContact CA-O 3.46Å; G177-R422 PolarHBondContact O-N 3.44Å; N180-R422 HydrophobicContact CB-CB 4.39Å; N180-R422 WeakPolarHBondContact CB-O 3.3Å; N180-R422 PolarHBondContact ND2-O 3.26Å; A181-R422 HydrophobicContact CB-CB 4.38Å; A181-R422 HydrophobicContact CB-CG 4.36Å; H378-R422 PolarHBondContact O-NH1 2.72Å; Q381-R422 CarbonylContact O-C 3.54Å; Q381-R422 VanDerWaalsContact O-CA 3.28Å; Q381-R422 WeakPolarHBondContact O-CA 3.44Å; P412-R422 PolarHBondContact O-NH1 3.15Å; P412-R422 PolarHBondContact O-NH2 2.93Å; G413-R422 PolarHBondContact O-NH2 2.9Å; M415-R422 PolarHBondContact O-NE 3.07Å; M415-R422 PolarHBondContact O-NH2 3.19Å; R422-S425 VanDerWaalsContact NH1-CB 3.34Å; R422-S425 PolarHBondContact NH1-OG 2.66Å; R422-R426 VanDerWaalsContact CZ-C 3.44Å; R422-R426 VanDerWaalsContact NH1-N 3.16Å; R422-R426 PolarHBondContact NH1-O 3.18Å; R422-A427 VanDerWaalsContact CZ-N 3.32Å
423L95.7Very high96.7Very high13 Ų1318.5 Ų18.57%0.06811%0.105CC..BIsolated β-bridgetrans-130.8110.9-178.9-71.5174.7000110.3I127 L173 V176 Q381 M382 F383 S425I127-L423 HydrophobicContact CD1-CD1 3.71Å; L173-L423 HydrophobicContact CB-CD1 3.94Å; L173-L423 HydrophobicContact CD2-CD2 4.43Å; L173-L423 WeakPolarHBondContact O-CD1 3.48Å; L173-L423 WeakPolarHBondContact O-CD2 3.3Å; V176-L423 HydrophobicContact CB-CD2 4.14Å; V176-L423 HydrophobicContact CG1-CD2 3.86Å; Q381-L423 PolarHBondContact O-N 3.33Å; M382-L423 CarbonylContact C-O 3.59Å; M382-L423 WeakPolarHBondContact CA-O 3.39Å; M382-L423 HydrophobicContact CB-CB 4.03Å; F383-L423 HydrophobicContact CB-CB 4.37Å; F383-L423 PolarHBondContact N-O 2.91Å; F383-L423 VanDerWaalsContact N-O 3.08Å; L423-S425 VanDerWaalsContact C-N 3.26Å
424G92Very high96.7Very high74 Ų7418.5 Ų18.576%0.76311%0.105SC*.SBendtrans76.813.7-173.600000113.8
425S94Very high96.7Very high17 Ų1721.7 Ų21.712%0.11912%0.117CC..  trans-142.6165.6173.179.80000109.5N180 G379 Q381 R422 L423N180-S425 PolarHBondContact ND2-O 2.98Å; G379-S425 WeakPolarHBondContact O-CB 2.81Å; Q381-S425 PolarHBondContact O-OG 3.46Å; R422-S425 VanDerWaalsContact NH1-CB 3.34Å; R422-S425 PolarHBondContact NH1-OG 2.66Å; L423-S425 VanDerWaalsContact C-N 3.26Å
426R95.4Very high96.7Very high127 Ų12723.1 Ų23.148%0.47913%0.128SC..  trans-142139.3173.8-166.2171.3-171.1-174.6-5.1110.8T186 P412 R422T186-R426 HydrophobicContact CG2-CG 4.49Å; T186-R426 VanDerWaalsContact CG2-NH1 3.35Å; P412-R426 WeakPolarHBondContact CG-O 3.2Å; R422-R426 VanDerWaalsContact CZ-C 3.44Å; R422-R426 VanDerWaalsContact NH1-N 3.16Å; R422-R426 PolarHBondContact NH1-O 3.18Å
427A97.5Very high96.3Very high8 Ų829 Ų297%0.06617%0.166CC..  trans-65.814217800000110.2P185 T186 G413 T414 R422P185-A427 CarbonylContact C-O 3.59Å; P185-A427 WeakPolarHBondContact CA-O 3.44Å; P185-A427 HydrophobicContact CB-CB 4.11Å; P185-A427 HydrophobicContact CG-CB 4.22Å; T186-A427 PolarHBondContact N-O 3.47Å; T186-A427 PolarHBondContact OG1-O 3.39Å; T186-A427 VanDerWaalsContact OG1-O 3.14Å; G413-A427 CarbonylContact O-C 3.58Å; G413-A427 WeakPolarHBondContact O-CA 3.3Å; T414-A427 WeakPolarHBondContact O-CB 3.38Å; R422-A427 VanDerWaalsContact CZ-N 3.32Å
428E97.7Very high96.5Very high19 Ų1927 Ų279%0.08916%0.16CC..EExtended strand (participates in β ladder)trans-139.5139.4-171.3-163.8-178.6120.100113.8T186 N188 Y409 P412 G413 T414 T430T186-E428 CarbonylContact O-C 3.53Å; T186-E428 WeakPolarHBondContact O-CA 3.47Å; T186-E428 WeakPolarHBondContact O-CG 3.41Å; N188-E428 HydrophobicContact CB-CG 3.67Å; N188-E428 WeakPolarHBondContact CB-OE1 3.05Å; N188-E428 VanDerWaalsContact ND2-CD 3.32Å; N188-E428 PolarHBondContact ND2-OE1 2.92Å; N188-E428 PolarHBondContact ND2-OE2 3.26Å; Y409-E428 PolarHBondContact OH-OE1 3.41Å; P412-E428 HydrophobicContact CG-CB 3.55Å; P412-E428 HydrophobicContact CG-CG 4.44Å; G413-E428 PolarHBondContact O-N 3.46Å; T414-E428 WeakPolarHBondContact CA-O 3.43Å; T414-E428 PolarHBondContact OG1-O 3Å; E428-T430 WeakPolarHBondContact OE1-CB 3.09Å; E428-T430 WeakPolarHBondContact OE1-CG2 3.42Å; E428-T430 PolarHBondContact OE1-OG1 2.99Å
429I98.8Very high96.6Very high0 Ų028.2 Ų28.20%017%0.166CC..EExtended strand (participates in β ladder)trans-106117.7157.3-64.9170.6000106P185 T186 V187 N188 V207 L209 I226 M229 V230 L233 T414P185-I429 HydrophobicContact CB-CD1 4.37Å; P185-I429 HydrophobicContact CB-CG1 4.02Å; T186-I429 PolarHBondContact O-N 3.1Å; V187-I429 WeakPolarHBondContact CA-O 3.42Å; N188-I429 PolarHBondContact N-O 3.1Å; V207-I429 HydrophobicContact CG1-CG2 3.69Å; L209-I429 HydrophobicContact CD2-CB 4.32Å; L209-I429 HydrophobicContact CD2-CD1 4.4Å; L209-I429 HydrophobicContact CD2-CG1 3.8Å; L209-I429 HydrophobicContact CD2-CG2 3.91Å; I226-I429 HydrophobicContact CG2-CD1 4.07Å; M229-I429 HydrophobicContact CB-CD1 3.76Å; M229-I429 HydrophobicContact CE-CD1 4.27Å; M229-I429 HydrophobicContact SD-CD1 4.27Å; V230-I429 HydrophobicContact CG2-CD1 4.35Å; V230-I429 HydrophobicContact CG2-CG2 4.32Å; L233-I429 HydrophobicContact CD1-CG2 3.88Å; T414-I429 HydrophobicContact CG2-CG1 3.94Å
430T98.8Very high96.6Very high0 Ų029.6 Ų29.60%018%0.175CC..EExtended strand (participates in β ladder)trans-96.2127-176.7-40.70000110.2N188 V190 V207 L208 Y409 E428 I432N188-T430 CarbonylContact O-C 2.97Å; N188-T430 WeakPolarHBondContact O-CA 3.48Å; N188-T430 WeakPolarHBondContact O-CG2 3.38Å; V190-T430 HydrophobicContact CG2-CG2 4Å; V207-T430 WeakPolarHBondContact CA-O 3.17Å; L208-T430 PolarHBondContact N-O 3.21Å; L208-T430 PolarHBondContact O-N 2.89Å; Y409-T430 HydrophobicContact CD1-CG2 4.42Å; Y409-T430 HydrophobicContact CE1-CG2 3.61Å; Y409-T430 WeakPolarHBondContact CE1-OG1 3.33Å; Y409-T430 HydrophobicContact CE2-CG2 4.14Å; Y409-T430 VanDerWaalsContact CZ-CG2 3.45Å; Y409-T430 WeakPolarHBondContact OH-CG2 3.37Å; Y409-T430 PolarHBondContact OH-OG1 3.25Å; E428-T430 WeakPolarHBondContact OE1-CB 3.09Å; E428-T430 WeakPolarHBondContact OE1-CG2 3.42Å; E428-T430 PolarHBondContact OE1-OG1 2.99Å; T430-I432 HydrophobicContact CG2-CD1 3.48Å; T430-I432 VanDerWaalsContact CG2-CD1 3.48Å; T430-I432 HydrophobicContact CG2-CG1 4.18Å
431E98.8Very high96.6Very high14 Ų1430.9 Ų30.97%0.06518%0.182CC..EExtended strand (participates in β ladder)trans-97.1100.2168.6-175.2-171.6-140.800108.5N188 S189 V190 K205 I433N188-E431 PolarHBondContact O-N 2.95Å; S189-E431 CarbonylContact C-O 3.54Å; S189-E431 VanDerWaalsContact CA-O 3.3Å; S189-E431 WeakPolarHBondContact CA-O 3.49Å; S189-E431 PolarHBondContact OG-OE2 2.95Å; V190-E431 PolarHBondContact N-O 3.44Å; K205-E431 WeakPolarHBondContact CD-OE1 3.29Å; K205-E431 WeakPolarHBondContact CE-OE1 3.5Å; K205-E431 IonicContact NZ-OE1 3.13Å; K205-E431 PolarHBondContact NZ-OE1 3.38Å; E431-I433 HydrophobicContact CG-CG1 4.39Å
432I98.8Very high96.5Very high0 Ų032.8 Ų32.80%019%0.193CC..EExtended strand (participates in β ladder)trans-84.6117.9175.4-53.3-63.7000108.8V190 V192 V206 L371 L373 Y409 T430 L434V190-I432 HydrophobicContact CB-CD1 4.06Å; V190-I432 CarbonylContact O-C 3.54Å; V190-I432 WeakPolarHBondContact O-CA 3.46Å; V192-I432 HydrophobicContact CB-CG2 4.46Å; V192-I432 HydrophobicContact CG2-CG2 3.92Å; V206-I432 HydrophobicContact CB-CB 4.26Å; V206-I432 PolarHBondContact N-O 3.07Å; V206-I432 PolarHBondContact O-N 3.39Å; L371-I432 HydrophobicContact CD2-CG2 4.22Å; L373-I432 HydrophobicContact CD2-CD1 4.48Å; L373-I432 HydrophobicContact CD2-CG1 4.17Å; Y409-I432 HydrophobicContact CD1-CD1 4.03Å; Y409-I432 HydrophobicContact CD2-CD1 4.1Å; Y409-I432 HydrophobicContact CE1-CD1 4.37Å; Y409-I432 HydrophobicContact CE2-CD1 4.43Å; Y409-I432 HydrophobicContact CG-CD1 3.9Å; T430-I432 HydrophobicContact CG2-CD1 3.48Å; T430-I432 VanDerWaalsContact CG2-CD1 3.48Å; T430-I432 HydrophobicContact CG2-CG1 4.18Å; I432-L434 HydrophobicContact CG2-CD2 3.71Å
433I98.8Very high96.5Very high21 Ų2134.9 Ų34.911%0.10821%0.206CC..EExtended strand (participates in β ladder)trans-99.7110.8176.4-57.5172.2000108.1V190 E191 V192 E431 R435V190-I433 PolarHBondContact O-N 3.12Å; E191-I433 WeakPolarHBondContact CA-O 3.27Å; E191-I433 HydrophobicContact CG-CB 4.24Å; E191-I433 HydrophobicContact CG-CD1 4.3Å; V192-I433 PolarHBondContact N-O 3.01Å; E431-I433 HydrophobicContact CG-CG1 4.39Å; I433-R435 PolarHBondContact O-N 3.23Å
434L98.7Very high96.5Very high1 Ų136.4 Ų36.41%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-76.4122.2178.5-49-173.4000109.8V194 L197 N203 L204 V206 F314 L371 I432V194-L434 HydrophobicContact CG2-CB 4.35Å; V194-L434 HydrophobicContact CG2-CD2 3.9Å; L197-L434 HydrophobicContact CD1-CD1 4.36Å; L197-L434 HydrophobicContact CD2-CB 3.64Å; N203-L434 WeakPolarHBondContact CA-O 3.43Å; N203-L434 PolarHBondContact N-O 2.85Å; L204-L434 HydrophobicContact CB-CB 4.39Å; L204-L434 HydrophobicContact CB-CD1 4.48Å; L204-L434 HydrophobicContact CD2-CD1 3.94Å; L204-L434 HydrophobicContact CD2-CG 4.37Å; L204-L434 PolarHBondContact O-N 3.4Å; V206-L434 HydrophobicContact CG2-CD1 4.02Å; V206-L434 HydrophobicContact CG2-CD2 4.38Å; V206-L434 HydrophobicContact CG2-CG 4.11Å; F314-L434 HydrophobicContact CE1-CD1 4.37Å; F314-L434 HydrophobicContact CZ-CD1 4.25Å; L371-L434 HydrophobicContact CD2-CD2 3.79Å; I432-L434 HydrophobicContact CG2-CD2 3.71Å
435R98.3Very high96.9Very high66 Ų6633.5 Ų33.525%0.24917%0.174CC..EExtended strand (participates in β ladder)trans-103.5130.8176.6-61.6-64.2-168.5-178.5-9.5109.3E191 V192 P193 V194 N202 N203 I433 P437E191-R435 HydrophobicContact CB-CG 4.13Å; E191-R435 VanDerWaalsContact CD-NE 3.33Å; E191-R435 IonicContact OE1-CZ 2.77Å; E191-R435 IonicContact OE1-NE 3.97Å; E191-R435 IonicContact OE1-NH2 3.43Å; E191-R435 PolarHBondContact OE1-NH2 3.06Å; E191-R435 IonicContact OE2-CZ 2.99Å; E191-R435 VanDerWaalsContact OE2-CZ 3.28Å; E191-R435 IonicContact OE2-NE 3.77Å; E191-R435 PolarHBondContact OE2-NE 2.85Å; E191-R435 IonicContact OE2-NH2 3.87Å; E191-R435 PolarHBondContact OE2-NH2 2.93Å; E191-R435 VanDerWaalsContact OE2-NH2 3.13Å; V192-R435 PolarHBondContact O-N 3.36Å; P193-R435 WeakPolarHBondContact CA-O 3.34Å; V194-R435 PolarHBondContact N-O 2.9Å; N202-R435 WeakPolarHBondContact OD1-CA 3.17Å; N203-R435 PolarHBondContact OD1-NH1 3.07Å; I433-R435 PolarHBondContact O-N 3.23Å; R435-P437 VanDerWaalsContact O-CD 3.3Å; R435-P437 WeakPolarHBondContact O-CD 3.2Å
436S96.4Very high97.1Very high34 Ų3434.9 Ų34.924%0.23818%0.178CC..  trans-80.4111.7166.8178.90000107.4L197 N202L197-S436 PolarHBondContact O-OG 3.05Å; L197-S436 VanDerWaalsContact O-OG 3.09Å; N202-S436 PolarHBondContact OD1-N 3.32Å
437P87.6Confident97.3Very high129 Ų12926.5 Ų26.584%0.83815%0.151SC*.  trans-73.90-178.231.6-34.7000113.6P193 V194 R435P193-P437 HydrophobicContact CB-CB 4.19Å; V194-P437 WeakPolarHBondContact O-CD 3.48Å; R435-P437 VanDerWaalsContact O-CD 3.3Å; R435-P437 WeakPolarHBondContact O-CD 3.2Å

Retrieved 437 of 437 residues in 882.2 ms (Link to these results)

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