A0A077ZAP5_TRITR Loading...

DRBM domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZAP5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 145 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
1M52.8Low71.8Confident247 Ų24768.8 Ų68.8100%1.21738%0.377SS*.  01390-77.8178.9164.400107.8
2L58.9Low72.1Confident109 Ų10965.8 Ų65.857%0.57136%0.361SS*.  trans-68.1140.3172-77.6159.5000108.9L7L2-L7 HydrophobicContact CB-CD2 3.93Å; L2-L7 HydrophobicContact CB-CG 3.92Å; L2-L7 HydrophobicContact CD1-CD2 3.96Å
3S74.7Confident72.4Confident76 Ų7670.3 Ų70.353%0.53138%0.378SS..  trans-63.3162.8167.263.20000109.9S5 G6 L7S3-S5 PolarHBondContact O-N 3.47Å; S3-G6 WeakPolarHBondContact O-CA 3.45Å; S3-G6 PolarHBondContact O-N 2.63Å; S3-G6 PolarHBondContact OG-N 3.43Å; S3-L7 PolarHBondContact O-N 3.2Å
4Q70.4Confident72.5Confident95 Ų9574.6 Ų74.644%0.44439%0.387SS..Hα-helixtrans-54.8-42.3175.3-75.8-174.2-18.500111.8G6 L7 F8 M53 F138Q4-G6 VanDerWaalsContact C-N 3.32Å; Q4-G6 PolarHBondContact O-N 3.02Å; Q4-L7 PolarHBondContact O-N 3.04Å; Q4-F8 PolarHBondContact O-N 3.45Å; Q4-M53 HydrophobicContact CB-CE 3.67Å; Q4-M53 HydrophobicContact CG-CE 3.89Å; Q4-F138 HydrophobicContact CB-CD1 4.08Å; Q4-F138 HydrophobicContact CB-CE1 3.89Å
5S71.6Confident72.6Confident33 Ų3369.7 Ų69.723%0.23136%0.361CS..Hα-helixtrans-60.8-39.9173.8-41.90000112.2S3 F8 L9S3-S5 PolarHBondContact O-N 3.47Å; S5-F8 PolarHBondContact O-N 3.19Å; S5-L9 WeakPolarHBondContact O-CG 3.42Å; S5-L9 PolarHBondContact O-N 2.76Å
6G74.2Confident72.3Confident12 Ų1268.6 Ų68.612%0.12436%0.361CS..Hα-helixtrans-66-40175.700000113.3S3 Q4 F8 L9 C10S3-G6 WeakPolarHBondContact O-CA 3.45Å; S3-G6 PolarHBondContact O-N 2.63Å; S3-G6 PolarHBondContact OG-N 3.43Å; Q4-G6 VanDerWaalsContact C-N 3.32Å; Q4-G6 PolarHBondContact O-N 3.02Å; G6-F8 VanDerWaalsContact C-N 3.34Å; G6-L9 PolarHBondContact O-N 2.88Å; G6-C10 PolarHBondContact O-N 2.96Å; G6-C10 PolarHBondContact O-SG 3.4Å; G6-C10 VanDerWaalsContact O-SG 3.34Å
7L75.7Confident72Confident44 Ų4475.1 Ų75.123%0.2338%0.38CS..Hα-helixtrans-64.4-39.9174.5-71.1173.2000111.8L2 S3 Q4 C10 F11 A52 M53L2-L7 HydrophobicContact CB-CD2 3.93Å; L2-L7 HydrophobicContact CB-CG 3.92Å; L2-L7 HydrophobicContact CD1-CD2 3.96Å; S3-L7 PolarHBondContact O-N 3.2Å; Q4-L7 PolarHBondContact O-N 3.04Å; L7-C10 PolarHBondContact O-N 3.43Å; L7-F11 WeakPolarHBondContact O-CB 3.43Å; L7-F11 PolarHBondContact O-N 2.99Å; L7-A52 HydrophobicContact CD1-CB 4.17Å; L7-A52 WeakPolarHBondContact CD1-O 3.23Å; L7-A52 HydrophobicContact CD2-CB 4.34Å; L7-M53 HydrophobicContact CB-SD 3.61Å; L7-M53 HydrophobicContact CD1-SD 4.01Å; L7-M53 HydrophobicContact CG-SD 4.48Å
8F76.4Confident71.5Confident5 Ų572.3 Ų72.32%0.02236%0.364CS..Hα-helixtrans-66.7-42.3175.8-175.2-105.2000112.5Q4 S5 G6 C10 F11 V12 F49 L130 V133 F135 F138Q4-F8 PolarHBondContact O-N 3.45Å; S5-F8 PolarHBondContact O-N 3.19Å; G6-F8 VanDerWaalsContact C-N 3.34Å; F8-C10 PolarHBondContact O-N 3.15Å; F8-F11 HydrophobicContact CD2-CD1 4.44Å; F8-F11 HydrophobicContact CE2-CD1 4.45Å; F8-F11 WeakPolarHBondContact O-CB 3.47Å; F8-F11 PolarHBondContact O-N 3.43Å; F8-F11 VanDerWaalsContact O-N 3.13Å; F8-V12 HydrophobicContact CD1-CG2 4.11Å; F8-V12 HydrophobicContact CE1-CG2 3.67Å; F8-V12 HydrophobicContact CE2-CG2 4.15Å; F8-V12 HydrophobicContact CZ-CG2 3.7Å; F8-V12 WeakPolarHBondContact O-CG2 3.4Å; F8-V12 PolarHBondContact O-N 2.8Å; F8-F49 HydrophobicContact CB-CE2 4.41Å; F8-F49 HydrophobicContact CD2-CE2 4.04Å; F8-F49 AromaticContact CD2-CZ 3.66Å; F8-F49 HydrophobicContact CD2-CZ 3.66Å; F8-F49 HydrophobicContact CE2-CZ 4.4Å; F8-L130 WeakPolarHBondContact CE2-O 2.92Å; F8-L130 VanDerWaalsContact CZ-O 3.23Å; F8-L130 WeakPolarHBondContact CZ-O 3.24Å; F8-V133 VanDerWaalsContact CZ-O 3.24Å; F8-V133 WeakPolarHBondContact CZ-O 3.43Å; F8-F135 HydrophobicContact CD1-CD1 4.23Å; F8-F135 HydrophobicContact CD1-CD2 4.36Å; F8-F135 AromaticContact CD1-CE1 3.72Å; F8-F135 HydrophobicContact CD1-CE1 3.72Å; F8-F135 AromaticContact CD1-CE2 3.86Å; F8-F135 HydrophobicContact CD1-CE2 3.86Å; F8-F135 HydrophobicContact CD1-CG 4.5Å; F8-F135 AromaticContact CD1-CZ 3.47Å; F8-F135 HydrophobicContact CD1-CZ 3.47Å; F8-F135 VanDerWaalsContact CD1-CZ 3.47Å; F8-F135 HydrophobicContact CE1-CD2 4.18Å; F8-F135 HydrophobicContact CE1-CE1 4.45Å; F8-F135 AromaticContact CE1-CE2 3.92Å; F8-F135 HydrophobicContact CE1-CE2 3.92Å; F8-F135 HydrophobicContact CE1-CZ 4.02Å; F8-F138 HydrophobicContact CB-CD2 4.25Å; F8-F138 HydrophobicContact CB-CE2 3.52Å; F8-F138 HydrophobicContact CB-CZ 3.8Å; F8-F138 HydrophobicContact CD1-CD2 4.11Å; F8-F138 AromaticContact CD1-CE2 3.77Å; F8-F138 HydrophobicContact CD1-CE2 3.77Å; F8-F138 AromaticContact CD2-CE2 3.59Å; F8-F138 HydrophobicContact CD2-CE2 3.59Å; F8-F138 HydrophobicContact CD2-CZ 4.12Å; F8-F138 HydrophobicContact CE1-CE2 4.37Å; F8-F138 HydrophobicContact CE2-CE2 4.2Å; F8-F138 HydrophobicContact CG-CD2 4.09Å; F8-F138 AromaticContact CG-CE2 3.33Å; F8-F138 HydrophobicContact CG-CE2 3.33Å; F8-F138 HydrophobicContact CG-CZ 4.01Å
9L77.6Confident70.5Confident87 Ų8774.8 Ų74.846%0.45538%0.379SS..Hα-helixtrans-56.6-49.6171.8-75.9174.1000111.4S5 G6 F11 V12 E13 F135S5-L9 WeakPolarHBondContact O-CG 3.42Å; S5-L9 PolarHBondContact O-N 2.76Å; G6-L9 PolarHBondContact O-N 2.88Å; L9-F11 PolarHBondContact O-N 3.13Å; L9-V12 PolarHBondContact O-N 3.46Å; L9-E13 WeakPolarHBondContact O-CB 3.23Å; L9-E13 WeakPolarHBondContact O-CG 3.44Å; L9-E13 PolarHBondContact O-N 2.91Å; L9-F135 HydrophobicContact CD1-CZ 4.47Å; L9-F135 HydrophobicContact CD2-CE1 4.36Å; L9-F135 HydrophobicContact CD2-CE2 3.72Å; L9-F135 HydrophobicContact CD2-CZ 3.27Å; L9-F135 HydrophobicContact CG-CE1 4.23Å; L9-F135 HydrophobicContact CG-CE2 4.44Å; L9-F135 HydrophobicContact CG-CZ 3.52Å
10C77.2Confident69.4Low43 Ų4378.7 Ų78.729%0.29139%0.393SS..Hα-helixtrans-59.6-35.6177.1-70.30000112.4G6 L7 F8 R14G6-C10 PolarHBondContact O-N 2.96Å; G6-C10 PolarHBondContact O-SG 3.4Å; G6-C10 VanDerWaalsContact O-SG 3.34Å; L7-C10 PolarHBondContact O-N 3.43Å; F8-C10 PolarHBondContact O-N 3.15Å; C10-R14 WeakPolarHBondContact O-CB 3.4Å; C10-R14 WeakPolarHBondContact O-CG 3.38Å; C10-R14 PolarHBondContact O-N 2.97Å
11F79.7Confident68.2Low6 Ų676.8 Ų76.83%0.02638%0.384CS..Hα-helixtrans-65.7-51.9174.8175.6-102.8000111.5L7 F8 L9 E13 R14 L15 T45 F49 C127 L130L7-F11 WeakPolarHBondContact O-CB 3.43Å; L7-F11 PolarHBondContact O-N 2.99Å; F8-F11 HydrophobicContact CD2-CD1 4.44Å; F8-F11 HydrophobicContact CE2-CD1 4.45Å; F8-F11 WeakPolarHBondContact O-CB 3.47Å; F8-F11 PolarHBondContact O-N 3.43Å; F8-F11 VanDerWaalsContact O-N 3.13Å; L9-F11 PolarHBondContact O-N 3.13Å; F11-E13 VanDerWaalsContact C-N 3.31Å; F11-E13 PolarHBondContact O-N 3.42Å; F11-R14 WeakPolarHBondContact O-CB 3.44Å; F11-R14 PolarHBondContact O-N 3.31Å; F11-R14 VanDerWaalsContact O-N 3.09Å; F11-L15 HydrophobicContact CD1-CD1 3.92Å; F11-L15 HydrophobicContact CD1-CG 4.35Å; F11-L15 HydrophobicContact CE1-CD1 3.32Å; F11-L15 HydrophobicContact CE1-CG 4.07Å; F11-L15 HydrophobicContact CE2-CD1 4.32Å; F11-L15 HydrophobicContact CE2-CD2 4.27Å; F11-L15 HydrophobicContact CE2-CG 4.36Å; F11-L15 HydrophobicContact CZ-CD1 3.58Å; F11-L15 HydrophobicContact CZ-CD2 4.2Å; F11-L15 HydrophobicContact CZ-CG 4.1Å; F11-L15 WeakPolarHBondContact O-CG 3.16Å; F11-L15 PolarHBondContact O-N 2.83Å; F11-T45 HydrophobicContact CD2-CG2 4.07Å; F11-T45 HydrophobicContact CE2-CG2 3.87Å; F11-F49 HydrophobicContact CB-CD2 3.46Å; F11-F49 VanDerWaalsContact CB-CD2 3.46Å; F11-F49 HydrophobicContact CB-CE2 3.74Å; F11-F49 HydrophobicContact CB-CG 4.19Å; F11-F49 HydrophobicContact CD1-CD1 4.36Å; F11-F49 HydrophobicContact CD1-CD2 4.14Å; F11-F49 HydrophobicContact CD1-CE1 4.41Å; F11-F49 HydrophobicContact CD1-CE2 4.19Å; F11-F49 HydrophobicContact CD1-CG 4.24Å; F11-F49 HydrophobicContact CD1-CZ 4.35Å; F11-F49 HydrophobicContact CD2-CB 3.43Å; F11-F49 VanDerWaalsContact CD2-CB 3.43Å; F11-F49 HydrophobicContact CD2-CD1 4.1Å; F11-F49 AromaticContact CD2-CD2 3.6Å; F11-F49 HydrophobicContact CD2-CD2 3.6Å; F11-F49 HydrophobicContact CD2-CE2 4.43Å; F11-F49 AromaticContact CD2-CG 3.41Å; F11-F49 HydrophobicContact CD2-CG 3.41Å; F11-F49 VanDerWaalsContact CD2-CG 3.41Å; F11-F49 HydrophobicContact CE1-CD1 4.27Å; F11-F49 HydrophobicContact CE1-CE1 4.44Å; F11-F49 HydrophobicContact CE1-CG 4.48Å; F11-F49 HydrophobicContact CE2-CB 3.56Å; F11-F49 AromaticContact CE2-CD1 3.97Å; F11-F49 HydrophobicContact CE2-CD1 3.97Å; F11-F49 HydrophobicContact CE2-CD2 4.31Å; F11-F49 AromaticContact CE2-CG 3.67Å; F11-F49 HydrophobicContact CE2-CG 3.67Å; F11-F49 HydrophobicContact CG-CB 4.22Å; F11-F49 HydrophobicContact CG-CD1 4.26Å; F11-F49 AromaticContact CG-CD2 3.47Å; F11-F49 HydrophobicContact CG-CD2 3.47Å; F11-F49 VanDerWaalsContact CG-CD2 3.47Å; F11-F49 AromaticContact CG-CE2 3.89Å; F11-F49 HydrophobicContact CG-CE2 3.89Å; F11-F49 AromaticContact CG-CG 3.7Å; F11-F49 HydrophobicContact CG-CG 3.7Å; F11-F49 HydrophobicContact CG-CZ 4.46Å; F11-F49 HydrophobicContact CZ-CB 4.46Å; F11-F49 HydrophobicContact CZ-CD1 4.07Å; F11-F49 HydrophobicContact CZ-CG 4.2Å; F11-C127 HydrophobicContact CZ-CB 4.22Å; F11-L130 HydrophobicContact CE1-CB 3.67Å; F11-L130 HydrophobicContact CE1-CD1 4.21Å; F11-L130 HydrophobicContact CZ-CB 4.22Å; F11-L130 HydrophobicContact CZ-CD1 4.02Å
12V75.6Confident67.6Low32 Ų3269.2 Ų69.219%0.19435%0.347CS..Hα-helixtrans-60-40.2178.2171.90000111.9F8 L9 L15 S16 K131F8-V12 HydrophobicContact CD1-CG2 4.11Å; F8-V12 HydrophobicContact CE1-CG2 3.67Å; F8-V12 HydrophobicContact CE2-CG2 4.15Å; F8-V12 HydrophobicContact CZ-CG2 3.7Å; F8-V12 WeakPolarHBondContact O-CG2 3.4Å; F8-V12 PolarHBondContact O-N 2.8Å; L9-V12 PolarHBondContact O-N 3.46Å; V12-L15 PolarHBondContact O-N 3.26Å; V12-S16 WeakPolarHBondContact O-CB 3.27Å; V12-S16 PolarHBondContact O-N 3.21Å; V12-S16 PolarHBondContact O-OG 3.04Å; V12-K131 HydrophobicContact CG1-CG 4.29Å
13E76.9Confident66.2Low125 Ų12566.9 Ų66.958%0.58434%0.339SS*.Hα-helixtrans-62.8-41.5174.1-76.8-175.8164.100112.1L9 F11 L15 S16L9-E13 WeakPolarHBondContact O-CB 3.23Å; L9-E13 WeakPolarHBondContact O-CG 3.44Å; L9-E13 PolarHBondContact O-N 2.91Å; F11-E13 VanDerWaalsContact C-N 3.31Å; F11-E13 PolarHBondContact O-N 3.42Å; E13-L15 VanDerWaalsContact C-N 3.35Å; E13-S16 PolarHBondContact O-N 3.27Å
14R73.3Confident64.2Low131 Ų13171 Ų7149%0.49434%0.343SS..Hα-helixtrans-62.5-42.5174.2-76.2171.7-177.3-171.51.2111.4C10 F11 S16 R17C10-R14 WeakPolarHBondContact O-CB 3.4Å; C10-R14 WeakPolarHBondContact O-CG 3.38Å; C10-R14 PolarHBondContact O-N 2.97Å; F11-R14 WeakPolarHBondContact O-CB 3.44Å; F11-R14 PolarHBondContact O-N 3.31Å; F11-R14 VanDerWaalsContact O-N 3.09Å; R14-S16 VanDerWaalsContact C-N 3.32Å; R14-R17 WeakPolarHBondContact O-CB 3.42Å; R14-R17 PolarHBondContact O-N 3.43Å
15L73.3Confident62.1Low0 Ų071 Ų710%035%0.353CS..Hα-helixtrans-67.5-32.1176.9-62.9-171.4000112.7F11 V12 E13 R17 W18 T45 C127 K131F11-L15 HydrophobicContact CD1-CD1 3.92Å; F11-L15 HydrophobicContact CD1-CG 4.35Å; F11-L15 HydrophobicContact CE1-CD1 3.32Å; F11-L15 HydrophobicContact CE1-CG 4.07Å; F11-L15 HydrophobicContact CE2-CD1 4.32Å; F11-L15 HydrophobicContact CE2-CD2 4.27Å; F11-L15 HydrophobicContact CE2-CG 4.36Å; F11-L15 HydrophobicContact CZ-CD1 3.58Å; F11-L15 HydrophobicContact CZ-CD2 4.2Å; F11-L15 HydrophobicContact CZ-CG 4.1Å; F11-L15 WeakPolarHBondContact O-CG 3.16Å; F11-L15 PolarHBondContact O-N 2.83Å; V12-L15 PolarHBondContact O-N 3.26Å; E13-L15 VanDerWaalsContact C-N 3.35Å; L15-R17 PolarHBondContact O-N 2.85Å; L15-W18 HydrophobicContact CD2-CD2 3.75Å; L15-W18 HydrophobicContact CD2-CE3 3.4Å; L15-W18 HydrophobicContact CD2-CH2 3.29Å; L15-W18 HydrophobicContact CD2-CZ2 3.63Å; L15-W18 HydrophobicContact CD2-CZ3 3.21Å; L15-W18 WeakPolarHBondContact O-CA 3.38Å; L15-W18 WeakPolarHBondContact O-CB 3.32Å; L15-W18 PolarHBondContact O-N 3.37Å; L15-T45 HydrophobicContact CD2-CG2 4.29Å; L15-C127 HydrophobicContact CD1-CB 3.93Å; L15-C127 WeakPolarHBondContact CD1-O 3.46Å; L15-C127 HydrophobicContact CD2-CB 3.73Å; L15-K131 HydrophobicContact CB-CD 4.19Å; L15-K131 HydrophobicContact CD1-CB 3.8Å; L15-K131 HydrophobicContact CD1-CG 4.38Å
16S68.6Low60.3Low52 Ų5272.4 Ų72.436%0.36436%0.363SS..Hα-helixtrans-63.3-22.8177.6-61.70000112.5V12 E13 R14 W18 N19V12-S16 WeakPolarHBondContact O-CB 3.27Å; V12-S16 PolarHBondContact O-N 3.21Å; V12-S16 PolarHBondContact O-OG 3.04Å; E13-S16 PolarHBondContact O-N 3.27Å; R14-S16 VanDerWaalsContact C-N 3.32Å; S16-W18 VanDerWaalsContact C-N 3.26Å; S16-W18 PolarHBondContact O-N 3.34Å; S16-N19 VanDerWaalsContact O-CG 3.31Å; S16-N19 PolarHBondContact O-ND2 3.29Å
17R67Low58.7Low179 Ų17977.3 Ų77.368%0.67540%0.402SS*.G310 helixtrans-73.2-16.8171.6-58.2-178-175.8-164.8-0.2113R14 L15 N19R14-R17 WeakPolarHBondContact O-CB 3.42Å; R14-R17 PolarHBondContact O-N 3.43Å; L15-R17 PolarHBondContact O-N 2.85Å; R17-N19 PolarHBondContact O-N 2.96Å
18W62.9Low57.2Low25 Ų2585.3 Ų85.310%0.09544%0.435CS..G310 helixtrans-77.1-3.1177.9-60.8-6.1000113.8L15 S16 K20 L21 P42 T45 Y124 C127L15-W18 HydrophobicContact CD2-CD2 3.75Å; L15-W18 HydrophobicContact CD2-CE3 3.4Å; L15-W18 HydrophobicContact CD2-CH2 3.29Å; L15-W18 HydrophobicContact CD2-CZ2 3.63Å; L15-W18 HydrophobicContact CD2-CZ3 3.21Å; L15-W18 WeakPolarHBondContact O-CA 3.38Å; L15-W18 WeakPolarHBondContact O-CB 3.32Å; L15-W18 PolarHBondContact O-N 3.37Å; S16-W18 VanDerWaalsContact C-N 3.26Å; S16-W18 PolarHBondContact O-N 3.34Å; W18-K20 PolarHBondContact O-N 3.48Å; W18-L21 PolarHBondContact O-N 3.06Å; W18-P42 VanDerWaalsContact CH2-CA 3.43Å; W18-P42 HydrophobicContact CH2-CB 3.56Å; W18-P42 HydrophobicContact CH2-CG 3.99Å; W18-P42 HydrophobicContact CZ2-CB 4.22Å; W18-P42 HydrophobicContact CZ2-CG 4.28Å; W18-P42 HydrophobicContact CZ3-CB 3.95Å; W18-P42 HydrophobicContact CZ3-CG 4.25Å; W18-T45 HydrophobicContact CH2-CG2 4.2Å; W18-T45 HydrophobicContact CZ2-CG2 3.89Å; W18-Y124 HydrophobicContact CB-CE2 4.27Å; W18-Y124 HydrophobicContact CD2-CD2 4.4Å; W18-Y124 HydrophobicContact CD2-CE2 4.35Å; W18-Y124 AromaticContact CE3-CD2 3.4Å; W18-Y124 HydrophobicContact CE3-CD2 3.4Å; W18-Y124 AromaticContact CE3-CE2 3.47Å; W18-Y124 HydrophobicContact CE3-CE2 3.47Å; W18-Y124 VanDerWaalsContact CE3-CE2 3.47Å; W18-Y124 AromaticContact CZ3-CD2 3.61Å; W18-Y124 HydrophobicContact CZ3-CD2 3.61Å; W18-Y124 HydrophobicContact CZ3-CE2 4.13Å; W18-C127 HydrophobicContact CE3-CB 4.47Å; W18-C127 HydrophobicContact CH2-CB 3.93Å; W18-C127 HydrophobicContact CZ3-CB 3.46Å; W18-C127 VanDerWaalsContact CZ3-CB 3.46Å
19N52.5Low55.3Low121 Ų12186.9 Ų86.965%0.64745%0.449SS*.G310 helixtrans-54.2-8.7177.8-78.8-14.5000114.8S16 R17 L21S16-N19 VanDerWaalsContact O-CG 3.31Å; S16-N19 PolarHBondContact O-ND2 3.29Å; R17-N19 PolarHBondContact O-N 2.96Å; N19-L21 PolarHBondContact O-N 3.07Å
20K47.7Very low53.4Low152 Ų15292.6 Ų92.666%0.66147%0.47SS*.G310 helixtrans-81.818.5168.7-72.2-176.6-179.6173.80114.3W18 I22W18-K20 PolarHBondContact O-N 3.48Å; K20-I22 PolarHBondContact O-N 2.83Å
21L46Very low51.6Low38 Ų3897.9 Ų97.920%0.19949%0.488CS..  trans-74.977.7170.4-118.8140.3000110.5W18 N19 C23 L34 W121 Y124W18-L21 PolarHBondContact O-N 3.06Å; N19-L21 PolarHBondContact O-N 3.07Å; L21-C23 PolarHBondContact O-N 3.32Å; L21-L34 HydrophobicContact CD1-CD1 3.37Å; L21-L34 HydrophobicContact CD1-CG 3.79Å; L21-L34 HydrophobicContact CD2-CB 4.26Å; L21-L34 HydrophobicContact CD2-CD1 3.75Å; L21-L34 HydrophobicContact CD2-CG 4.01Å; L21-L34 HydrophobicContact CG-CD1 3.99Å; L21-L34 HydrophobicContact CG-CG 4.09Å; L21-W121 HydrophobicContact CD2-CH2 3.28Å; L21-W121 HydrophobicContact CD2-CZ2 4.27Å; L21-W121 HydrophobicContact CD2-CZ3 3.66Å; L21-Y124 HydrophobicContact CD1-CD1 4.34Å; L21-Y124 HydrophobicContact CD1-CD2 3.51Å; L21-Y124 HydrophobicContact CD1-CE1 4Å; L21-Y124 HydrophobicContact CD1-CE2 3.14Å; L21-Y124 HydrophobicContact CD1-CG 4.12Å; L21-Y124 VanDerWaalsContact CD1-CZ 3.42Å; L21-Y124 HydrophobicContact CG-CE2 4.44Å
22I38.9Very low49.8Very low89 Ų89102.8 Ų102.846%0.45651%0.509SS..  trans-66.7100176.1-54.1175.2000107.2K20 R24K20-I22 PolarHBondContact O-N 2.83Å; I22-R24 HydrophobicContact CB-CG 4.48Å; I22-R24 HydrophobicContact CG2-CG 3.53Å; I22-R24 PolarHBondContact O-N 3.38Å
23C29.7Very low48.6Very low60 Ų60104.9 Ų104.941%0.40552%0.522SS..  trans-6684160.7-1700000107.2L21 C25L21-C23 PolarHBondContact O-N 3.32Å; C23-C25 PolarHBondContact O-N 3.21Å; C23-C25 PolarHBondContact SG-SG 2.88Å
24R32.4Very low47.1Very low161 Ų161100.1 Ų100.161%0.60850%0.501SS*.  trans-68.779.3168.6-74.8-166.8-179.6160.64.6108I22 S26I22-R24 HydrophobicContact CB-CG 4.48Å; I22-R24 HydrophobicContact CG2-CG 3.53Å; I22-R24 PolarHBondContact O-N 3.38Å; R24-S26 PolarHBondContact O-N 3.47Å
25C26.4Very low45.9Very low95 Ų9598.9 Ų98.964%0.64250%0.501SS*.  trans-6973.5161-73.70000107.8C23 A27C23-C25 PolarHBondContact O-N 3.21Å; C23-C25 PolarHBondContact SG-SG 2.88Å; C25-A27 PolarHBondContact O-N 2.91Å
26S33.9Very low44.4Very low63 Ų63101.8 Ų101.844%0.44152%0.521SS..BIsolated β-bridgetrans-67.7132.8163.475.90000107R24 K28 A29R24-S26 PolarHBondContact O-N 3.47Å; S26-K28 PolarHBondContact O-N 3.3Å; S26-A29 CarbonylContact O-C 3.57Å; S26-A29 PolarHBondContact O-N 2.87Å; S26-A29 VanDerWaalsContact O-O 3.13Å; S26-A29 WeakPolarHBondContact OG-CB 3.5Å; S26-A29 PolarHBondContact OG-N 2.87Å; S26-A29 VanDerWaalsContact OG-N 3.16Å; S26-A29 PolarHBondContact OG-O 3.17Å
27A41.8Very low43.3Very low116 Ų116102.2 Ų102.296%0.95953%0.534SS*.THydrogen-bonded Turntrans-56.7-11.7-176.700000114.1C25C25-A27 PolarHBondContact O-N 2.91Å
28K42.8Very low42.4Very low211 Ų21198.9 Ų98.992%0.91753%0.529SS*.THydrogen-bonded Turntrans-111.4-5177.3-66.1-168.1175.5-176.40114.9S26S26-K28 PolarHBondContact O-N 3.3Å
29A37.3Very low41.8Very low38 Ų38107.3 Ų107.331%0.31457%0.569SS.*BIsolated β-bridgetrans-147.5104.4173.800000109.4S26 K31S26-A29 CarbonylContact O-C 3.57Å; S26-A29 PolarHBondContact O-N 2.87Å; S26-A29 VanDerWaalsContact O-O 3.13Å; S26-A29 WeakPolarHBondContact OG-CB 3.5Å; S26-A29 PolarHBondContact OG-N 2.87Å; S26-A29 VanDerWaalsContact OG-N 3.16Å; S26-A29 PolarHBondContact OG-O 3.17Å; A29-K31 HydrophobicContact CB-CG 4.45Å; A29-K31 PolarHBondContact O-N 3.29Å
30K37Very low42.2Very low207 Ų207104 Ų10490%0.955%0.552SS**  trans-70.345.6167.2-75.1-178.2173.5176.40111.2
31K40Very low43.3Very low155 Ų15599.9 Ų99.967%0.67453%0.534SS*.  trans-94.4103.8176.9-72.9-171.7176.9-178.80108.6A29 V33A29-K31 HydrophobicContact CB-CG 4.45Å; A29-K31 PolarHBondContact O-N 3.29Å; K31-V33 PolarHBondContact O-N 2.93Å
32K42.3Very low44.8Very low108 Ų10898.2 Ų98.247%0.4753%0.526SS..  trans-70.7113.2165.8-59.6-167.8176.2-1770106.6W121K32-W121 HydrophobicContact CB-CH2 3.55Å; K32-W121 HydrophobicContact CB-CZ2 3.42Å; K32-W121 VanDerWaalsContact CB-CZ2 3.42Å; K32-W121 HydrophobicContact CB-CZ3 4.47Å; K32-W121 HydrophobicContact CD-CH2 4.28Å; K32-W121 HydrophobicContact CD-CZ3 4.49Å; K32-W121 VanDerWaalsContact O-CZ2 3.24Å; K32-W121 WeakPolarHBondContact O-CZ2 3.2Å
33V49.2Very low46.9Very low77 Ų7797 Ų9747%0.46752%0.518SS..  trans-104.1122.3174.7178.70000107.7K31 E35K31-V33 PolarHBondContact O-N 2.93Å; V33-E35 HydrophobicContact CG1-CG 4.42Å; V33-E35 PolarHBondContact O-N 3.09Å
34L45.9Very low49.5Very low25 Ų2595.9 Ų95.913%0.13152%0.516CS..  trans-8488.5176.4-165.7125.5000108.2L21 S36 P42 K120 W121 Y124L21-L34 HydrophobicContact CD1-CD1 3.37Å; L21-L34 HydrophobicContact CD1-CG 3.79Å; L21-L34 HydrophobicContact CD2-CB 4.26Å; L21-L34 HydrophobicContact CD2-CD1 3.75Å; L21-L34 HydrophobicContact CD2-CG 4.01Å; L21-L34 HydrophobicContact CG-CD1 3.99Å; L21-L34 HydrophobicContact CG-CG 4.09Å; L34-S36 VanDerWaalsContact C-N 3.34Å; L34-S36 PolarHBondContact O-N 2.96Å; L34-P42 HydrophobicContact CD2-CG 4.13Å; L34-K120 HydrophobicContact CD2-CB 4.42Å; L34-K120 HydrophobicContact CD2-CD 4.3Å; L34-W121 HydrophobicContact CB-CH2 4.23Å; L34-W121 HydrophobicContact CB-CZ2 3.79Å; L34-W121 HydrophobicContact CD1-CD2 4.33Å; L34-W121 HydrophobicContact CD1-CE3 4.11Å; L34-W121 HydrophobicContact CD1-CH2 4.11Å; L34-W121 HydrophobicContact CD1-CZ2 4.3Å; L34-W121 HydrophobicContact CD1-CZ3 4.01Å; L34-Y124 HydrophobicContact CD1-CD2 4.26Å; L34-Y124 HydrophobicContact CD1-CG 4.08Å
35E48.8Very low52Low105 Ų10588.7 Ų88.749%0.49149%0.49SS..  trans-72.191.6166.8-72-170.4162.600107.8V33 G37V33-E35 HydrophobicContact CG1-CG 4.42Å; V33-E35 PolarHBondContact O-N 3.09Å; E35-G37 PolarHBondContact O-N 3.06Å
36S42.5Very low54.8Low61 Ų6184.2 Ų84.243%0.42746%0.459SS..  trans-72.389.6166.970.30000107.7L34 D38L34-S36 VanDerWaalsContact C-N 3.34Å; L34-S36 PolarHBondContact O-N 2.96Å; S36-D38 PolarHBondContact O-N 3.22Å; S36-D38 VanDerWaalsContact O-N 3.15Å
37G44.5Very low57.3Low61 Ų6183.7 Ų83.763%0.62945%0.45SS*.SBendtrans-65.1-7.5178.900000114.7E35E35-G37 PolarHBondContact O-N 3.06Å
38D47.6Very low59.4Low109 Ų10981.2 Ų81.258%0.58343%0.425SS*.SBendtrans-141.5147.6173.3-73.9-60.5000107.6S36 L40S36-D38 PolarHBondContact O-N 3.22Å; S36-D38 VanDerWaalsContact O-N 3.15Å; D38-L40 PolarHBondContact O-N 3.31Å
39E50.7Low61.5Low201 Ų20171.7 Ų71.794%0.93938%0.384SS*.SBendtrans-51.86.5-171.5-64.9174.4139.300117.6H41E39-H41 PolarHBondContact O-N 3.46Å
40L61.4Low63.8Low53 Ų5369.9 Ų69.928%0.27737%0.369SS..  trans-80.789.1-178.3-74.9145.8000110.9D38 P42D38-L40 PolarHBondContact O-N 3.31Å; L40-P42 WeakPolarHBondContact O-CD 3.39Å
41H71.1Confident66.2Low64 Ų6466.9 Ų66.930%0.29636%0.358SS..  trans-65.8121.2172.2-168.3-60000110.2E39 K43 G44 T45 K120E39-H41 PolarHBondContact O-N 3.46Å; H41-K43 VanDerWaalsContact C-N 3.29Å; H41-K43 VanDerWaalsContact CE1-CB 3.48Å; H41-K43 WeakPolarHBondContact CE1-CB 3.2Å; H41-K43 VanDerWaalsContact ND1-CB 3.34Å; H41-K43 WeakPolarHBondContact ND1-CB 3.46Å; H41-K43 PolarHBondContact ND1-N 3.15Å; H41-K43 PolarHBondContact O-N 3.03Å; H41-K43 VanDerWaalsContact O-N 3.12Å; H41-G44 WeakPolarHBondContact O-CA 3.48Å; H41-G44 PolarHBondContact O-N 2.98Å; H41-T45 PolarHBondContact O-N 3.31Å; H41-T45 PolarHBondContact O-OG1 3.38Å; H41-K120 WeakPolarHBondContact CD2-CE 3.5Å; H41-K120 WeakPolarHBondContact CE1-CG 3.34Å; H41-K120 WeakPolarHBondContact NE2-CE 3.36Å; H41-K120 WeakPolarHBondContact NE2-CG 3.08Å
42P77.4Confident68.3Low3 Ų361.9 Ų61.92%0.01935%0.345CS..Hα-helixtrans-54.2-41-173.1-30.335000114.7W18 L34 L40 G44 T45 L46 A123W18-P42 VanDerWaalsContact CH2-CA 3.43Å; W18-P42 HydrophobicContact CH2-CB 3.56Å; W18-P42 HydrophobicContact CH2-CG 3.99Å; W18-P42 HydrophobicContact CZ2-CB 4.22Å; W18-P42 HydrophobicContact CZ2-CG 4.28Å; W18-P42 HydrophobicContact CZ3-CB 3.95Å; W18-P42 HydrophobicContact CZ3-CG 4.25Å; L34-P42 HydrophobicContact CD2-CG 4.13Å; L40-P42 WeakPolarHBondContact O-CD 3.39Å; P42-G44 PolarHBondContact O-N 3.26Å; P42-T45 PolarHBondContact O-N 3.44Å; P42-L46 WeakPolarHBondContact O-CB 3.45Å; P42-L46 PolarHBondContact O-N 3.02Å; P42-A123 HydrophobicContact CB-CB 4.16Å
43K83.1Confident70.1Confident65 Ų6556.9 Ų56.928%0.28332%0.324SS..Hα-helixtrans-54.7-48.7171-176.7-178.3172175.70112.8H41 L46 F47 L60 E119 A123H41-K43 VanDerWaalsContact C-N 3.29Å; H41-K43 VanDerWaalsContact CE1-CB 3.48Å; H41-K43 WeakPolarHBondContact CE1-CB 3.2Å; H41-K43 VanDerWaalsContact ND1-CB 3.34Å; H41-K43 WeakPolarHBondContact ND1-CB 3.46Å; H41-K43 PolarHBondContact ND1-N 3.15Å; H41-K43 PolarHBondContact O-N 3.03Å; H41-K43 VanDerWaalsContact O-N 3.12Å; K43-L46 PolarHBondContact O-N 3.44Å; K43-F47 HydrophobicContact CG-CD2 4.05Å; K43-F47 HydrophobicContact CG-CE2 3.98Å; K43-F47 WeakPolarHBondContact O-CD2 3.18Å; K43-F47 PolarHBondContact O-N 3.02Å; K43-L60 HydrophobicContact CD-CD1 3.83Å; K43-L60 HydrophobicContact CG-CD1 4.04Å; K43-E119 IonicContact NZ-OE2 2.71Å; K43-E119 PolarHBondContact NZ-OE2 2.86Å; K43-A123 HydrophobicContact CB-CB 4.12Å
44G83.8Confident71.7Confident36 Ų3664.1 Ų64.137%0.37134%0.343SS..Hα-helixtrans-62.8-46.4179.200000111.2H41 P42 L46 F47 S48H41-G44 WeakPolarHBondContact O-CA 3.48Å; H41-G44 PolarHBondContact O-N 2.98Å; P42-G44 PolarHBondContact O-N 3.26Å; G44-L46 PolarHBondContact O-N 3.22Å; G44-F47 PolarHBondContact O-N 3.39Å; G44-S48 VanDerWaalsContact O-CB 3.3Å; G44-S48 WeakPolarHBondContact O-CB 3.1Å; G44-S48 PolarHBondContact O-N 3.08Å; G44-S48 PolarHBondContact O-OG 3.44Å; G44-S48 VanDerWaalsContact O-OG 3.07Å
45T84.7Confident73.5Confident10 Ų1064.3 Ų64.36%0.06134%0.342CS..Hα-helixtrans-59.7-44.4178.2-54.50000112.4F11 L15 W18 H41 P42 F49F11-T45 HydrophobicContact CD2-CG2 4.07Å; F11-T45 HydrophobicContact CE2-CG2 3.87Å; L15-T45 HydrophobicContact CD2-CG2 4.29Å; W18-T45 HydrophobicContact CH2-CG2 4.2Å; W18-T45 HydrophobicContact CZ2-CG2 3.89Å; H41-T45 PolarHBondContact O-N 3.31Å; H41-T45 PolarHBondContact O-OG1 3.38Å; P42-T45 PolarHBondContact O-N 3.44Å; T45-F49 VanDerWaalsContact O-CB 3.23Å; T45-F49 WeakPolarHBondContact O-CB 3.38Å; T45-F49 PolarHBondContact O-N 3.33Å
46L84.5Confident75.3Confident0 Ų064.4 Ų64.40%034%0.342CS..Hα-helixtrans-60.9-52.7176.5-173.871.2000111.1P42 K43 G44 S48 F49 F50 P58 V93 A123 A126 L130P42-L46 WeakPolarHBondContact O-CB 3.45Å; P42-L46 PolarHBondContact O-N 3.02Å; K43-L46 PolarHBondContact O-N 3.44Å; G44-L46 PolarHBondContact O-N 3.22Å; L46-S48 PolarHBondContact O-N 2.92Å; L46-F49 WeakPolarHBondContact O-CB 3.26Å; L46-F49 PolarHBondContact O-N 2.87Å; L46-F50 HydrophobicContact CD1-CD2 4.1Å; L46-F50 HydrophobicContact CD1-CE2 3.6Å; L46-F50 HydrophobicContact CG-CD2 4.28Å; L46-F50 HydrophobicContact CG-CE2 4.17Å; L46-F50 VanDerWaalsContact O-CD2 3.26Å; L46-F50 WeakPolarHBondContact O-CD2 3.46Å; L46-F50 PolarHBondContact O-N 2.93Å; L46-P58 HydrophobicContact CD2-CB 4.26Å; L46-P58 HydrophobicContact CD2-CG 4.04Å; L46-P58 HydrophobicContact CG-CG 4.1Å; L46-V93 HydrophobicContact CD2-CG1 3.88Å; L46-A123 HydrophobicContact CD2-CB 4.28Å; L46-A126 HydrophobicContact CD1-CB 4.13Å; L46-A126 HydrophobicContact CD2-CB 3.9Å; L46-L130 HydrophobicContact CD1-CD1 3.51Å
47F87.8Confident77.4Confident53 Ų5364.8 Ų64.823%0.23234%0.342CS..Hα-helixtrans-66.3-42.9-175.4-81.2-116.6000111.8K43 G44 F49 F50 Q51 V57 P58 L60K43-F47 HydrophobicContact CG-CD2 4.05Å; K43-F47 HydrophobicContact CG-CE2 3.98Å; K43-F47 WeakPolarHBondContact O-CD2 3.18Å; K43-F47 PolarHBondContact O-N 3.02Å; G44-F47 PolarHBondContact O-N 3.39Å; F47-F49 VanDerWaalsContact C-N 3.28Å; F47-F49 PolarHBondContact O-N 3.12Å; F47-F50 PolarHBondContact O-N 3.29Å; F47-Q51 WeakPolarHBondContact O-CB 3.48Å; F47-Q51 PolarHBondContact O-N 3.35Å; F47-V57 HydrophobicContact CD1-CG1 3.35Å; F47-V57 HydrophobicContact CE1-CG1 3.56Å; F47-V57 HydrophobicContact CG-CG1 4.26Å; F47-P58 VanDerWaalsContact CE1-O 3.29Å; F47-P58 WeakPolarHBondContact CE1-O 3.38Å; F47-P58 HydrophobicContact CE2-CB 4.22Å; F47-P58 HydrophobicContact CZ-CB 4.26Å; F47-P58 WeakPolarHBondContact CZ-O 3.47Å; F47-L60 HydrophobicContact CE2-CD1 3.71Å; F47-L60 HydrophobicContact CE2-CG 4.27Å; F47-L60 HydrophobicContact CZ-CD1 3.53Å; F47-L60 HydrophobicContact CZ-CG 4.03Å
48S85.9Confident79.5Confident64 Ų6462.2 Ų62.245%0.44831%0.314SS..Hα-helixtrans-62.9-35.7175.2-64.20000112.1G44 L46 A52G44-S48 VanDerWaalsContact O-CB 3.3Å; G44-S48 WeakPolarHBondContact O-CB 3.1Å; G44-S48 PolarHBondContact O-N 3.08Å; G44-S48 PolarHBondContact O-OG 3.44Å; G44-S48 VanDerWaalsContact O-OG 3.07Å; L46-S48 PolarHBondContact O-N 2.92Å; S48-A52 VanDerWaalsContact O-CB 3.27Å; S48-A52 WeakPolarHBondContact O-CB 3.45Å; S48-A52 PolarHBondContact O-N 2.98Å
49F85.4Confident81.6Confident10 Ų1063.1 Ų63.14%0.04431%0.313CS..Hα-helixtrans-63.7-52.8174.4172.8-108.7000111.2F8 F11 T45 L46 F47 Q51 A52 M53 W55 L130F8-F49 HydrophobicContact CB-CE2 4.41Å; F8-F49 HydrophobicContact CD2-CE2 4.04Å; F8-F49 AromaticContact CD2-CZ 3.66Å; F8-F49 HydrophobicContact CD2-CZ 3.66Å; F8-F49 HydrophobicContact CE2-CZ 4.4Å; F11-F49 HydrophobicContact CB-CD2 3.46Å; F11-F49 VanDerWaalsContact CB-CD2 3.46Å; F11-F49 HydrophobicContact CB-CE2 3.74Å; F11-F49 HydrophobicContact CB-CG 4.19Å; F11-F49 HydrophobicContact CD1-CD1 4.36Å; F11-F49 HydrophobicContact CD1-CD2 4.14Å; F11-F49 HydrophobicContact CD1-CE1 4.41Å; F11-F49 HydrophobicContact CD1-CE2 4.19Å; F11-F49 HydrophobicContact CD1-CG 4.24Å; F11-F49 HydrophobicContact CD1-CZ 4.35Å; F11-F49 HydrophobicContact CD2-CB 3.43Å; F11-F49 VanDerWaalsContact CD2-CB 3.43Å; F11-F49 HydrophobicContact CD2-CD1 4.1Å; F11-F49 AromaticContact CD2-CD2 3.6Å; F11-F49 HydrophobicContact CD2-CD2 3.6Å; F11-F49 HydrophobicContact CD2-CE2 4.43Å; F11-F49 AromaticContact CD2-CG 3.41Å; F11-F49 HydrophobicContact CD2-CG 3.41Å; F11-F49 VanDerWaalsContact CD2-CG 3.41Å; F11-F49 HydrophobicContact CE1-CD1 4.27Å; F11-F49 HydrophobicContact CE1-CE1 4.44Å; F11-F49 HydrophobicContact CE1-CG 4.48Å; F11-F49 HydrophobicContact CE2-CB 3.56Å; F11-F49 AromaticContact CE2-CD1 3.97Å; F11-F49 HydrophobicContact CE2-CD1 3.97Å; F11-F49 HydrophobicContact CE2-CD2 4.31Å; F11-F49 AromaticContact CE2-CG 3.67Å; F11-F49 HydrophobicContact CE2-CG 3.67Å; F11-F49 HydrophobicContact CG-CB 4.22Å; F11-F49 HydrophobicContact CG-CD1 4.26Å; F11-F49 AromaticContact CG-CD2 3.47Å; F11-F49 HydrophobicContact CG-CD2 3.47Å; F11-F49 VanDerWaalsContact CG-CD2 3.47Å; F11-F49 AromaticContact CG-CE2 3.89Å; F11-F49 HydrophobicContact CG-CE2 3.89Å; F11-F49 AromaticContact CG-CG 3.7Å; F11-F49 HydrophobicContact CG-CG 3.7Å; F11-F49 HydrophobicContact CG-CZ 4.46Å; F11-F49 HydrophobicContact CZ-CB 4.46Å; F11-F49 HydrophobicContact CZ-CD1 4.07Å; F11-F49 HydrophobicContact CZ-CG 4.2Å; T45-F49 VanDerWaalsContact O-CB 3.23Å; T45-F49 WeakPolarHBondContact O-CB 3.38Å; T45-F49 PolarHBondContact O-N 3.33Å; L46-F49 WeakPolarHBondContact O-CB 3.26Å; L46-F49 PolarHBondContact O-N 2.87Å; F47-F49 VanDerWaalsContact C-N 3.28Å; F47-F49 PolarHBondContact O-N 3.12Å; F49-Q51 VanDerWaalsContact C-N 3.28Å; F49-Q51 PolarHBondContact O-N 3.21Å; F49-A52 PolarHBondContact O-N 3.41Å; F49-A52 VanDerWaalsContact O-N 3.08Å; F49-M53 HydrophobicContact CD1-CG 4.42Å; F49-M53 HydrophobicContact CD2-CG 3.87Å; F49-M53 HydrophobicContact CD2-SD 4.37Å; F49-M53 HydrophobicContact CE1-CG 3.98Å; F49-M53 HydrophobicContact CE2-CG 3.38Å; F49-M53 HydrophobicContact CE2-SD 3.61Å; F49-M53 HydrophobicContact CG-CG 4.36Å; F49-M53 HydrophobicContact CZ-CG 3.41Å; F49-M53 VanDerWaalsContact CZ-CG 3.41Å; F49-M53 HydrophobicContact CZ-SD 3.99Å; F49-M53 VanDerWaalsContact O-CG 3.27Å; F49-M53 WeakPolarHBondContact O-CG 3.27Å; F49-M53 PolarHBondContact O-N 3.49Å; F49-W55 HydrophobicContact CE1-CE3 4.28Å; F49-W55 HydrophobicContact CE1-CH2 4.35Å; F49-W55 AromaticContact CE1-CZ3 3.79Å; F49-W55 HydrophobicContact CE1-CZ3 3.79Å; F49-W55 HydrophobicContact CZ-CH2 4.28Å; F49-W55 HydrophobicContact CZ-CZ3 4.17Å; F49-L130 HydrophobicContact CD1-CD1 4.29Å; F49-L130 HydrophobicContact CE1-CD1 4.28Å
50F87.1Confident83.5Confident0 Ų055.9 Ų55.90%028%0.28CS..Hα-helixtrans-58.7-41.3178.5-84.8-109.3000112.3L46 F47 M53 R54 W55 E56 P58 F95 L130L46-F50 HydrophobicContact CD1-CD2 4.1Å; L46-F50 HydrophobicContact CD1-CE2 3.6Å; L46-F50 HydrophobicContact CG-CD2 4.28Å; L46-F50 HydrophobicContact CG-CE2 4.17Å; L46-F50 VanDerWaalsContact O-CD2 3.26Å; L46-F50 WeakPolarHBondContact O-CD2 3.46Å; L46-F50 PolarHBondContact O-N 2.93Å; F47-F50 PolarHBondContact O-N 3.29Å; F50-M53 CarbonylContact O-C 3.36Å; F50-M53 PolarHBondContact O-N 3.03Å; F50-R54 PolarHBondContact O-N 3.29Å; F50-W55 HydrophobicContact CD1-CB 3.73Å; F50-W55 HydrophobicContact CD1-CE3 4.06Å; F50-W55 HydrophobicContact CE1-CB 4.37Å; F50-W55 AromaticContact CE1-CE3 3.88Å; F50-W55 HydrophobicContact CE1-CE3 3.88Å; F50-W55 HydrophobicContact CG-CB 4.42Å; F50-W55 HydrophobicContact CZ-CE3 4.18Å; F50-W55 PolarHBondContact O-N 2.95Å; F50-E56 WeakPolarHBondContact CD1-O 3.17Å; F50-P58 HydrophobicContact CB-CG 4.44Å; F50-P58 HydrophobicContact CD1-CG 3.88Å; F50-P58 HydrophobicContact CD2-CG 3.78Å; F50-P58 HydrophobicContact CE1-CG 4.02Å; F50-P58 HydrophobicContact CE2-CG 3.93Å; F50-P58 HydrophobicContact CG-CG 3.75Å; F50-P58 HydrophobicContact CZ-CG 4.06Å; F50-F95 HydrophobicContact CE1-CB 3.73Å; F50-F95 AromaticContact CE1-CD2 3.67Å; F50-F95 HydrophobicContact CE1-CD2 3.67Å; F50-F95 HydrophobicContact CE1-CE2 4.45Å; F50-F95 AromaticContact CE1-CG 3.81Å; F50-F95 HydrophobicContact CE1-CG 3.81Å; F50-F95 HydrophobicContact CZ-CB 3.96Å; F50-F95 HydrophobicContact CZ-CD1 4.1Å; F50-F95 AromaticContact CZ-CD2 3.32Å; F50-F95 HydrophobicContact CZ-CD2 3.32Å; F50-F95 HydrophobicContact CZ-CE1 4.44Å; F50-F95 AromaticContact CZ-CE2 3.71Å; F50-F95 HydrophobicContact CZ-CE2 3.71Å; F50-F95 AromaticContact CZ-CG 3.52Å; F50-F95 HydrophobicContact CZ-CG 3.52Å; F50-F95 HydrophobicContact CZ-CZ 4.25Å; F50-L130 HydrophobicContact CE2-CD1 3.6Å; F50-L130 HydrophobicContact CZ-CD1 4.13Å
51Q87.4Confident84.8Confident144 Ų14456.2 Ų56.267%0.67329%0.287SS*.Hα-helixtrans-62.6-44.4175.5-174179.1-0.300111.9F47 F49 M53 R54F47-Q51 WeakPolarHBondContact O-CB 3.48Å; F47-Q51 PolarHBondContact O-N 3.35Å; F49-Q51 VanDerWaalsContact C-N 3.28Å; F49-Q51 PolarHBondContact O-N 3.21Å; Q51-M53 VanDerWaalsContact C-N 3.31Å; Q51-M53 PolarHBondContact O-N 3.08Å; Q51-R54 PolarHBondContact O-N 2.95Å; Q51-R54 VanDerWaalsContact O-N 3.08Å
52A82.8Confident85.6Confident50 Ų5054.7 Ų54.741%0.41328%0.282SS..Hα-helixtrans-64.5-36.5177.400000112L7 S48 F49 R54L7-A52 HydrophobicContact CD1-CB 4.17Å; L7-A52 WeakPolarHBondContact CD1-O 3.23Å; L7-A52 HydrophobicContact CD2-CB 4.34Å; S48-A52 VanDerWaalsContact O-CB 3.27Å; S48-A52 WeakPolarHBondContact O-CB 3.45Å; S48-A52 PolarHBondContact O-N 2.98Å; F49-A52 PolarHBondContact O-N 3.41Å; F49-A52 VanDerWaalsContact O-N 3.08Å; A52-R54 PolarHBondContact O-N 2.92Å
53M80.2Confident85.9Confident3 Ų357.9 Ų57.92%0.01530%0.302CS..Hα-helixtrans-74.7-9.7174.4-62.2-51.8-64.100113.6Q4 L7 F49 F50 Q51 W55 F138Q4-M53 HydrophobicContact CB-CE 3.67Å; Q4-M53 HydrophobicContact CG-CE 3.89Å; L7-M53 HydrophobicContact CB-SD 3.61Å; L7-M53 HydrophobicContact CD1-SD 4.01Å; L7-M53 HydrophobicContact CG-SD 4.48Å; F49-M53 HydrophobicContact CD1-CG 4.42Å; F49-M53 HydrophobicContact CD2-CG 3.87Å; F49-M53 HydrophobicContact CD2-SD 4.37Å; F49-M53 HydrophobicContact CE1-CG 3.98Å; F49-M53 HydrophobicContact CE2-CG 3.38Å; F49-M53 HydrophobicContact CE2-SD 3.61Å; F49-M53 HydrophobicContact CG-CG 4.36Å; F49-M53 HydrophobicContact CZ-CG 3.41Å; F49-M53 VanDerWaalsContact CZ-CG 3.41Å; F49-M53 HydrophobicContact CZ-SD 3.99Å; F49-M53 VanDerWaalsContact O-CG 3.27Å; F49-M53 WeakPolarHBondContact O-CG 3.27Å; F49-M53 PolarHBondContact O-N 3.49Å; F50-M53 CarbonylContact O-C 3.36Å; F50-M53 PolarHBondContact O-N 3.03Å; Q51-M53 VanDerWaalsContact C-N 3.31Å; Q51-M53 PolarHBondContact O-N 3.08Å; M53-W55 HydrophobicContact CB-CB 4.42Å; M53-W55 HydrophobicContact CB-CD2 3.65Å; M53-W55 HydrophobicContact CB-CE3 4.3Å; M53-W55 HydrophobicContact CB-CG 3.69Å; M53-W55 HydrophobicContact CB-CZ2 4.35Å; M53-W55 HydrophobicContact CE-CZ2 3.8Å; M53-W55 HydrophobicContact CG-CD2 4.29Å; M53-W55 HydrophobicContact CG-CZ2 4.42Å; M53-W55 VanDerWaalsContact O-CD1 3.24Å; M53-W55 PolarHBondContact O-N 2.93Å; M53-F138 HydrophobicContact CE-CE1 3.25Å; M53-F138 HydrophobicContact CE-CZ 3.39Å
54R82.7Confident85.9Confident230 Ų23060.4 Ų60.487%0.86831%0.313SS*.THydrogen-bonded Turntrans57.931-170.9-53.6178.763.6-173.4-1113.1F50 Q51 A52F50-R54 PolarHBondContact O-N 3.29Å; Q51-R54 PolarHBondContact O-N 2.95Å; Q51-R54 VanDerWaalsContact O-N 3.08Å; A52-R54 PolarHBondContact O-N 2.92Å
55W84.5Confident85.3Confident28 Ų2862 Ų6211%0.10632%0.315CS..PPolyproline II helixtrans-85.5164.3174.8-64.1-7.3000111F49 F50 M53 V57 L97 P98 L137 F138F49-W55 HydrophobicContact CE1-CE3 4.28Å; F49-W55 HydrophobicContact CE1-CH2 4.35Å; F49-W55 AromaticContact CE1-CZ3 3.79Å; F49-W55 HydrophobicContact CE1-CZ3 3.79Å; F49-W55 HydrophobicContact CZ-CH2 4.28Å; F49-W55 HydrophobicContact CZ-CZ3 4.17Å; F50-W55 HydrophobicContact CD1-CB 3.73Å; F50-W55 HydrophobicContact CD1-CE3 4.06Å; F50-W55 HydrophobicContact CE1-CB 4.37Å; F50-W55 AromaticContact CE1-CE3 3.88Å; F50-W55 HydrophobicContact CE1-CE3 3.88Å; F50-W55 HydrophobicContact CG-CB 4.42Å; F50-W55 HydrophobicContact CZ-CE3 4.18Å; F50-W55 PolarHBondContact O-N 2.95Å; M53-W55 HydrophobicContact CB-CB 4.42Å; M53-W55 HydrophobicContact CB-CD2 3.65Å; M53-W55 HydrophobicContact CB-CE3 4.3Å; M53-W55 HydrophobicContact CB-CG 3.69Å; M53-W55 HydrophobicContact CB-CZ2 4.35Å; M53-W55 HydrophobicContact CE-CZ2 3.8Å; M53-W55 HydrophobicContact CG-CD2 4.29Å; M53-W55 HydrophobicContact CG-CZ2 4.42Å; M53-W55 VanDerWaalsContact O-CD1 3.24Å; M53-W55 PolarHBondContact O-N 2.93Å; W55-V57 PolarHBondContact O-N 3.45Å; W55-L97 HydrophobicContact CE3-CD2 4.5Å; W55-L97 HydrophobicContact CH2-CD2 4.4Å; W55-L97 HydrophobicContact CZ3-CD2 3.85Å; W55-P98 HydrophobicContact CD2-CG 4.22Å; W55-P98 VanDerWaalsContact CE2-CD 3.45Å; W55-P98 VanDerWaalsContact CE2-CG 3.49Å; W55-P98 HydrophobicContact CH2-CG 4.1Å; W55-P98 HydrophobicContact CZ2-CG 3.44Å; W55-P98 VanDerWaalsContact CZ2-CG 3.44Å; W55-L137 HydrophobicContact CH2-CD1 4.32Å; W55-F138 AromaticContact CH2-CZ 3.94Å; W55-F138 HydrophobicContact CH2-CZ 3.94Å; W55-F138 HydrophobicContact CZ2-CE1 4.04Å; W55-F138 AromaticContact CZ2-CZ 3.79Å; W55-F138 HydrophobicContact CZ2-CZ 3.79Å
56E85.7Confident84.3Confident107 Ų10763 Ų6350%0.533%0.329SS..PPolyproline II helixtrans-61.8122.1173.5-171.7-176.7169.600109.8F50 K59F50-E56 WeakPolarHBondContact CD1-O 3.17Å; E56-K59 IonicContact OE1-NZ 3.64Å
57V87.6Confident82.6Confident70 Ų7068.7 Ų68.742%0.42437%0.366SS..PPolyproline II helixtrans-62.3134.9-175.1-178.30000110.5F47 W55F47-V57 HydrophobicContact CD1-CG1 3.35Å; F47-V57 HydrophobicContact CE1-CG1 3.56Å; F47-V57 HydrophobicContact CG-CG1 4.26Å; W55-V57 PolarHBondContact O-N 3.45Å
58P88.7Confident80.7Confident6 Ų672.4 Ų72.44%0.03939%0.394CS..PPolyproline II helixtrans-58.4145.1-179.9-24.834.4000112.8L46 F47 F50 V93 T94 F95L46-P58 HydrophobicContact CD2-CB 4.26Å; L46-P58 HydrophobicContact CD2-CG 4.04Å; L46-P58 HydrophobicContact CG-CG 4.1Å; F47-P58 VanDerWaalsContact CE1-O 3.29Å; F47-P58 WeakPolarHBondContact CE1-O 3.38Å; F47-P58 HydrophobicContact CE2-CB 4.22Å; F47-P58 HydrophobicContact CZ-CB 4.26Å; F47-P58 WeakPolarHBondContact CZ-O 3.47Å; F50-P58 HydrophobicContact CB-CG 4.44Å; F50-P58 HydrophobicContact CD1-CG 3.88Å; F50-P58 HydrophobicContact CD2-CG 3.78Å; F50-P58 HydrophobicContact CE1-CG 4.02Å; F50-P58 HydrophobicContact CE2-CG 3.93Å; F50-P58 HydrophobicContact CG-CG 3.75Å; F50-P58 HydrophobicContact CZ-CG 4.06Å; P58-V93 HydrophobicContact CB-CG1 4.1Å; P58-T94 CarbonylContact C-O 3.59Å; P58-T94 WeakPolarHBondContact CA-O 3.43Å; P58-F95 HydrophobicContact CB-CB 3.95Å; P58-F95 HydrophobicContact CB-CD1 4.39Å; P58-F95 HydrophobicContact CG-CB 3.96Å; P58-F95 HydrophobicContact CG-CD1 4.41Å; P58-F95 HydrophobicContact CG-CG 4.44Å
59K92Very high78.7Confident129 Ų12978.5 Ų78.556%0.56141%0.412SS*.EExtended strand (participates in β ladder)trans-97.9140.4173.5-62.3177.4-173.8166.90109.9E56 V93 T94E56-K59 IonicContact OE1-NZ 3.64Å; K59-V93 CarbonylContact O-C 3.49Å; K59-V93 WeakPolarHBondContact O-CA 3.39Å; K59-T94 PolarHBondContact N-O 3.38Å; K59-T94 PolarHBondContact O-N 3.47Å
60L89.8Confident76.7Confident48 Ų4883.5 Ų83.525%0.25145%0.446SS..EExtended strand (participates in β ladder)trans-114124.5177.5-81.9160.4000109.3K43 F47 C91 Q92 V93 E119K43-L60 HydrophobicContact CD-CD1 3.83Å; K43-L60 HydrophobicContact CG-CD1 4.04Å; F47-L60 HydrophobicContact CE2-CD1 3.71Å; F47-L60 HydrophobicContact CE2-CG 4.27Å; F47-L60 HydrophobicContact CZ-CD1 3.53Å; F47-L60 HydrophobicContact CZ-CG 4.03Å; L60-C91 WeakPolarHBondContact CD2-SG 3.3Å; L60-Q92 CarbonylContact C-O 3.6Å; L60-Q92 WeakPolarHBondContact CA-O 3.08Å; L60-V93 HydrophobicContact CD2-CB 4.43Å; L60-V93 HydrophobicContact CD2-CG2 3.25Å; L60-V93 HydrophobicContact CG-CG2 4.14Å; L60-E119 HydrophobicContact CD2-CG 4.3Å
61S88.2Confident74.7Confident61 Ų6193.2 Ų93.243%0.42749%0.488SS..EExtended strand (participates in β ladder)trans-115115.2169.3-177.80000108.7C91 Q92S61-C91 CarbonylContact O-C 3.59Å; S61-C91 WeakPolarHBondContact O-CA 3.22Å; S61-Q92 PolarHBondContact N-O 2.91Å; S61-Q92 PolarHBondContact O-N 3.42Å
62T87.9Confident72.6Confident32 Ų3297.5 Ų97.520%0.19650%0.498CS..EExtended strand (participates in β ladder)trans-119.2116.4-178.1-50.20000109.8W89 H90 C91 K115 E119T62-W89 HydrophobicContact CG2-CE3 3.6Å; T62-W89 HydrophobicContact CG2-CZ3 4.03Å; T62-H90 CarbonylContact C-O 3.57Å; T62-H90 VanDerWaalsContact CA-O 3.31Å; T62-H90 WeakPolarHBondContact CA-O 3.2Å; T62-C91 HydrophobicContact CG2-CB 4.19Å; T62-C91 PolarHBondContact OG1-SG 3.46Å; T62-K115 HydrophobicContact CG2-CB 4.41Å; T62-K115 HydrophobicContact CG2-CD 4.26Å; T62-K115 HydrophobicContact CG2-CG 3.71Å; T62-E119 WeakPolarHBondContact OG1-CG 3.34Å; T62-E119 PolarHBondContact OG1-OE1 3.37Å
63T84.6Confident70.7Confident70 Ų70100 Ų10043%0.42952%0.519SS..EExtended strand (participates in β ladder)trans-115.7143.7-177.755.70000110.6H90T63-H90 PolarHBondContact N-O 2.88Å; T63-H90 PolarHBondContact O-N 3.48Å; T63-H90 VanDerWaalsContact O-O 3.13Å
64K81.8Confident69.1Low117 Ų117103.4 Ų103.451%0.50955%0.547SS..EExtended strand (participates in β ladder)trans-104120.2174.2-170.9-177.6-178.7-178.10108.4P87 A88 W89K64-P87 HydrophobicContact CD-CB 4.24Å; K64-P87 HydrophobicContact CG-CB 4.12Å; K64-A88 CarbonylContact C-O 3.53Å; K64-A88 WeakPolarHBondContact CA-O 3.46Å; K64-W89 HydrophobicContact CB-CD2 4.09Å; K64-W89 HydrophobicContact CB-CE3 3.87Å; K64-W89 HydrophobicContact CB-CH2 4.1Å; K64-W89 HydrophobicContact CB-CZ2 4.27Å; K64-W89 HydrophobicContact CB-CZ3 3.89Å; K64-W89 HydrophobicContact CD-CH2 4.23Å; K64-W89 HydrophobicContact CD-CZ2 3.77Å; K64-W89 HydrophobicContact CG-CD2 4.18Å; K64-W89 HydrophobicContact CG-CE3 4.46Å; K64-W89 HydrophobicContact CG-CZ2 4.22Å
65T72.8Confident67.6Low69 Ų6999.5 Ų99.542%0.42354%0.543SS..EExtended strand (participates in β ladder)trans-112.7142.6174.856.80000110.1P87 A88 H90T65-P87 CarbonylContact O-C 3.54Å; T65-P87 WeakPolarHBondContact O-CA 3.19Å; T65-A88 PolarHBondContact N-O 2.83Å; T65-A88 PolarHBondContact O-N 2.97Å; T65-H90 PolarHBondContact OG1-CD2 3.04Å; T65-H90 PolarHBondContact OG1-NE2 3.33Å
66G62.3Low65.7Low33 Ų33106.7 Ų106.734%0.3458%0.584SS.*  trans116.363.8-167.300000109.7
67C49.8Very low63.8Low118 Ų118106.7 Ų106.780%0.79760%0.596SS**  trans-82.6121.6166.9-77.10000107.9F69C67-F69 PolarHBondContact O-N 2.84Å; C67-F69 VanDerWaalsContact O-N 3.15Å
68V48Very low61.6Low132 Ų132114.1 Ų114.180%0.862%0.618SS**  trans-52.2114.9164.41780000107.1P70V68-P70 WeakPolarHBondContact O-CD 3.38Å
69F43.5Very low59.2Low192 Ų192118.6 Ų118.684%0.84265%0.649SS**  trans-59.5123.9166.1-77-83.8000107.2C67 K71C67-F69 PolarHBondContact O-N 2.84Å; C67-F69 VanDerWaalsContact O-N 3.15Å; F69-K71 PolarHBondContact O-N 2.8Å
70P44Very low56.7Low115 Ų115121.7 Ų121.775%0.74766%0.663SS**  trans-59.9114.8172.423.3-30.1000107.2V68 R72V68-P70 WeakPolarHBondContact O-CD 3.38Å; P70-R72 VanDerWaalsContact C-N 3.34Å; P70-R72 PolarHBondContact O-N 2.84Å
71K43.5Very low54.6Low203 Ų203125.4 Ų125.488%0.88369%0.688SS**  trans-58.199.6172-165.6178-173.7179.30106.3F69 A73F69-K71 PolarHBondContact O-N 2.8Å; K71-A73 VanDerWaalsContact C-N 3.34Å; K71-A73 PolarHBondContact O-N 3.34Å
72R45.1Very low52.3Low235 Ų235123.6 Ų123.689%0.88768%0.679SS**  trans-63104.2165.8-93-175.6-170.9154.63.3105.6P70 A74P70-R72 VanDerWaalsContact C-N 3.34Å; P70-R72 PolarHBondContact O-N 2.84Å; R72-A74 PolarHBondContact O-N 2.83Å
73A41.6Very low50.3Low103 Ų103126.5 Ų126.585%0.85170%0.698SS**  trans-70.988.5167.100000107.1K71K71-A73 VanDerWaalsContact C-N 3.34Å; K71-A73 PolarHBondContact O-N 3.34Å
74A47.6Very low48.7Very low74 Ų74128 Ų12861%0.61272%0.717SS**  trans-148.5109.9164.700000106.3R72R72-A74 PolarHBondContact O-N 2.83Å
75D50.8Low47.5Very low147 Ų147129.3 Ų129.379%0.78673%0.725SS**  trans64.686.5162.9-55.3-25000118.2S77D75-S77 VanDerWaalsContact C-N 3.27Å; D75-S77 PolarHBondContact O-N 3.05Å
76D44.6Very low46.8Very low179 Ų179130.7 Ų130.796%0.95774%0.738SS**SBendtrans28.534.9131-72.6-14.8000121.4
77S45.4Very low46.9Very low107 Ų107132 Ų13275%0.74874%0.74SS**  trans-148.4127.1168.263.20000114D75D75-S77 VanDerWaalsContact C-N 3.27Å; D75-S77 PolarHBondContact O-N 3.05Å
78Y42.2Very low48.1Very low227 Ų227127.1 Ų127.189%0.8971%0.709SS**  trans66.893.2171.9-109.5-99.8000118.2F80Y78-F80 PolarHBondContact O-N 2.82Å; Y78-F80 VanDerWaalsContact O-N 3.07Å
79S38.4Very low49.8Very low100 Ų100123.6 Ų123.670%0.69968%0.681SS**  trans-57.796.3161.554.70000112.2T81S79-T81 VanDerWaalsContact C-N 3.29Å; S79-T81 PolarHBondContact O-N 3.13Å
80F39.6Very low51.6Low193 Ų193116.5 Ų116.585%0.84665%0.65SS**  trans-81.284.1155.5-168.8-102.3000108Y78 G82Y78-F80 PolarHBondContact O-N 2.82Å; Y78-F80 VanDerWaalsContact O-N 3.07Å; F80-G82 VanDerWaalsContact CE1-CA 3.49Å; F80-G82 PolarHBondContact O-N 3.12Å
81T43.9Very low53.6Low126 Ų126111.1 Ų111.177%0.77362%0.615SS**  trans-72.763.6160.251.90000108.1S79S79-T81 VanDerWaalsContact C-N 3.29Å; S79-T81 PolarHBondContact O-N 3.13Å
82G40.3Very low55.8Low23 Ų23104.4 Ų104.424%0.23759%0.587CS.*  trans-54.8133.4156.500000106.3F80 A84F80-G82 VanDerWaalsContact CE1-CA 3.49Å; F80-G82 PolarHBondContact O-N 3.12Å; G82-A84 PolarHBondContact O-N 3.36Å
83P47.5Very low57.9Low93 Ų9393.2 Ų93.260%0.60455%0.545SS*.  trans-50.3124.8-179.420.6-30.8000106.7H85P83-H85 PolarHBondContact O-CD2 2.95Å; P83-H85 PolarHBondContact O-N 3.34Å
84A50.9Low60.3Low101 Ų10189.9 Ų89.984%0.83551%0.514SS*.  trans-54.795.7172.900000105.5G82 S86G82-A84 PolarHBondContact O-N 3.36Å; A84-S86 VanDerWaalsContact C-N 3.3Å; A84-S86 PolarHBondContact O-N 3.47Å
85H55.2Low62.2Low146 Ų14686.8 Ų86.868%0.67649%0.487SS*.  trans-64.3104.8-175.8-76.1-71.5000104P83P83-H85 PolarHBondContact O-CD2 2.95Å; P83-H85 PolarHBondContact O-N 3.34Å
86S58.5Low63.7Low97 Ų9785 Ų8568%0.67847%0.469SS*.PPolyproline II helixtrans-51.3130176.650.90000106.3A84 A88A84-S86 VanDerWaalsContact C-N 3.3Å; A84-S86 PolarHBondContact O-N 3.47Å; S86-A88 PolarHBondContact O-N 3.28Å
87P65.6Low65.5Low61 Ų6177.2 Ų77.240%0.39643%0.427SS..PPolyproline II helixtrans-55.4118.2-17619.5-30.9000110K64 T65K64-P87 HydrophobicContact CD-CB 4.24Å; K64-P87 HydrophobicContact CG-CB 4.12Å; T65-P87 CarbonylContact O-C 3.54Å; T65-P87 WeakPolarHBondContact O-CA 3.19Å
88A74.4Confident66.9Low16 Ų1673.8 Ų73.813%0.13240%0.403CS..EExtended strand (participates in β ladder)trans-96.2137.9178.600000109.2K64 T65 S86K64-A88 CarbonylContact C-O 3.53Å; K64-A88 WeakPolarHBondContact CA-O 3.46Å; T65-A88 PolarHBondContact N-O 2.83Å; T65-A88 PolarHBondContact O-N 2.97Å; S86-A88 PolarHBondContact O-N 3.28Å
89W82.3Confident68.3Low58 Ų5870.2 Ų70.222%0.2240%0.399CS..EExtended strand (participates in β ladder)trans-95133.5171-71.390.6000109.9T62 K64 S112 T114 K115 A118T62-W89 HydrophobicContact CG2-CE3 3.6Å; T62-W89 HydrophobicContact CG2-CZ3 4.03Å; K64-W89 HydrophobicContact CB-CD2 4.09Å; K64-W89 HydrophobicContact CB-CE3 3.87Å; K64-W89 HydrophobicContact CB-CH2 4.1Å; K64-W89 HydrophobicContact CB-CZ2 4.27Å; K64-W89 HydrophobicContact CB-CZ3 3.89Å; K64-W89 HydrophobicContact CD-CH2 4.23Å; K64-W89 HydrophobicContact CD-CZ2 3.77Å; K64-W89 HydrophobicContact CG-CD2 4.18Å; K64-W89 HydrophobicContact CG-CE3 4.46Å; K64-W89 HydrophobicContact CG-CZ2 4.22Å; W89-S112 PolarHBondContact N-O 2.8Å; W89-S112 WeakPolarHBondContact O-CB 3.47Å; W89-S112 PolarHBondContact O-N 2.8Å; W89-T114 VanDerWaalsContact CD1-C 3.46Å; W89-K115 HydrophobicContact CD2-CB 3.79Å; W89-K115 HydrophobicContact CE3-CB 3.82Å; W89-K115 HydrophobicContact CE3-CG 4.27Å; W89-K115 HydrophobicContact CG-CB 4.38Å; W89-K115 HydrophobicContact CH2-CB 4.08Å; W89-K115 HydrophobicContact CH2-CD 4.19Å; W89-K115 HydrophobicContact CZ2-CB 4.08Å; W89-K115 HydrophobicContact CZ3-CB 3.96Å; W89-K115 HydrophobicContact CZ3-CD 4Å; W89-K115 HydrophobicContact CZ3-CG 4.2Å; W89-A118 HydrophobicContact CB-CB 3.85Å
90H82.5Confident70.2Confident42 Ų4267 Ų6719%0.19438%0.376CS..EExtended strand (participates in β ladder)trans-118.4132.5172.3-61.3-90.8000108T62 T63 T65 I110T62-H90 CarbonylContact C-O 3.57Å; T62-H90 VanDerWaalsContact CA-O 3.31Å; T62-H90 WeakPolarHBondContact CA-O 3.2Å; T63-H90 PolarHBondContact N-O 2.88Å; T63-H90 PolarHBondContact O-N 3.48Å; T63-H90 VanDerWaalsContact O-O 3.13Å; T65-H90 PolarHBondContact OG1-CD2 3.04Å; T65-H90 PolarHBondContact OG1-NE2 3.33Å; H90-I110 VanDerWaalsContact CE1-C 3.48Å; H90-I110 VanDerWaalsContact CE1-CA 3.5Å; H90-I110 WeakPolarHBondContact CE1-CA 3.29Å; H90-I110 PolarHBondContact CE1-O 2.73Å; H90-I110 PolarHBondContact NE2-O 2.86Å
91C85.7Confident72Confident2 Ų266 Ų661%0.01437%0.374CS..EExtended strand (participates in β ladder)trans-123.4143.1173.3-172.90000109.7L60 S61 T62 H107 S108 A118 E119 A122L60-C91 WeakPolarHBondContact CD2-SG 3.3Å; S61-C91 CarbonylContact O-C 3.59Å; S61-C91 WeakPolarHBondContact O-CA 3.22Å; T62-C91 HydrophobicContact CG2-CB 4.19Å; T62-C91 PolarHBondContact OG1-SG 3.46Å; C91-H107 CarbonylContact O-C 3.58Å; C91-H107 WeakPolarHBondContact O-CA 3.37Å; C91-S108 PolarHBondContact N-OG 3.15Å; C91-S108 PolarHBondContact O-N 2.68Å; C91-A118 VanDerWaalsContact CB-C 3.42Å; C91-A118 HydrophobicContact CB-CB 3.63Å; C91-A118 WeakPolarHBondContact CB-O 3.4Å; C91-E119 HydrophobicContact CB-CG 4.35Å; C91-A122 HydrophobicContact CB-CB 3.97Å
92Q89.6Confident73.8Confident63 Ų6365.5 Ų65.529%0.29437%0.367SS..EExtended strand (participates in β ladder)trans-122.5126.4172.4-175.4-175.523.800107.9L60 S61 T94 S105 F106 H107L60-Q92 CarbonylContact C-O 3.6Å; L60-Q92 WeakPolarHBondContact CA-O 3.08Å; S61-Q92 PolarHBondContact N-O 2.91Å; S61-Q92 PolarHBondContact O-N 3.42Å; Q92-T94 HydrophobicContact CG-CG2 4.04Å; Q92-S105 WeakPolarHBondContact CG-OG 3.33Å; Q92-S105 PolarHBondContact NE2-OG 2.93Å; Q92-F106 CarbonylContact C-O 3.56Å; Q92-F106 WeakPolarHBondContact CA-O 3.41Å; Q92-H107 PolarHBondContact NE2-CE1 3.06Å
93V89.9Confident76Confident0 Ų069.8 Ų69.80%038%0.383CS..EExtended strand (participates in β ladder)trans-99131.8166.7170.30000107.6L46 P58 K59 L60 F95 S105 F106 A122 A123 A126L46-V93 HydrophobicContact CD2-CG1 3.88Å; P58-V93 HydrophobicContact CB-CG1 4.1Å; K59-V93 CarbonylContact O-C 3.49Å; K59-V93 WeakPolarHBondContact O-CA 3.39Å; L60-V93 HydrophobicContact CD2-CB 4.43Å; L60-V93 HydrophobicContact CD2-CG2 3.25Å; L60-V93 HydrophobicContact CG-CG2 4.14Å; V93-F95 HydrophobicContact CG1-CD1 3.94Å; V93-F95 HydrophobicContact CG1-CE1 4.33Å; V93-S105 CarbonylContact O-C 3.53Å; V93-S105 WeakPolarHBondContact O-CA 3.37Å; V93-F106 PolarHBondContact N-O 3.05Å; V93-F106 PolarHBondContact O-N 3.21Å; V93-A122 HydrophobicContact CB-CB 4.38Å; V93-A122 HydrophobicContact CG2-CB 3.68Å; V93-A123 HydrophobicContact CG2-CB 4.47Å; V93-A126 HydrophobicContact CG1-CB 4.05Å
94T90.6Very high77.9Confident33 Ų3367.2 Ų67.220%0.20236%0.364CS..EExtended strand (participates in β ladder)trans-127.1137.1172.157.20000111P58 K59 Q92 I103 L104 S105P58-T94 CarbonylContact C-O 3.59Å; P58-T94 WeakPolarHBondContact CA-O 3.43Å; K59-T94 PolarHBondContact N-O 3.38Å; K59-T94 PolarHBondContact O-N 3.47Å; Q92-T94 HydrophobicContact CG-CG2 4.04Å; T94-I103 HydrophobicContact CG2-CG2 4.44Å; T94-L104 CarbonylContact C-O 3.57Å; T94-L104 WeakPolarHBondContact CA-O 3.23Å; T94-S105 WeakPolarHBondContact CG2-OG 3.39Å
95F87.7Confident79.6Confident9 Ų964.6 Ų64.64%0.03934%0.34CS..EExtended strand (participates in β ladder)trans-152.7164.1172.759.2-93.6000111.1F50 P58 V93 L97 L104 F106 A126 F129 L130F50-F95 HydrophobicContact CE1-CB 3.73Å; F50-F95 AromaticContact CE1-CD2 3.67Å; F50-F95 HydrophobicContact CE1-CD2 3.67Å; F50-F95 HydrophobicContact CE1-CE2 4.45Å; F50-F95 AromaticContact CE1-CG 3.81Å; F50-F95 HydrophobicContact CE1-CG 3.81Å; F50-F95 HydrophobicContact CZ-CB 3.96Å; F50-F95 HydrophobicContact CZ-CD1 4.1Å; F50-F95 AromaticContact CZ-CD2 3.32Å; F50-F95 HydrophobicContact CZ-CD2 3.32Å; F50-F95 HydrophobicContact CZ-CE1 4.44Å; F50-F95 AromaticContact CZ-CE2 3.71Å; F50-F95 HydrophobicContact CZ-CE2 3.71Å; F50-F95 AromaticContact CZ-CG 3.52Å; F50-F95 HydrophobicContact CZ-CG 3.52Å; F50-F95 HydrophobicContact CZ-CZ 4.25Å; P58-F95 HydrophobicContact CB-CB 3.95Å; P58-F95 HydrophobicContact CB-CD1 4.39Å; P58-F95 HydrophobicContact CG-CB 3.96Å; P58-F95 HydrophobicContact CG-CD1 4.41Å; P58-F95 HydrophobicContact CG-CG 4.44Å; V93-F95 HydrophobicContact CG1-CD1 3.94Å; V93-F95 HydrophobicContact CG1-CE1 4.33Å; F95-L97 HydrophobicContact CD2-CD2 4.37Å; F95-L97 HydrophobicContact CE2-CD2 3.93Å; F95-L97 HydrophobicContact CE2-CG 4.24Å; F95-L104 HydrophobicContact CD2-CD1 4.44Å; F95-L104 HydrophobicContact CE2-CB 4.28Å; F95-L104 HydrophobicContact CE2-CD1 3.73Å; F95-L104 HydrophobicContact CZ-CB 4.42Å; F95-L104 HydrophobicContact CZ-CD1 4.2Å; F95-L104 PolarHBondContact N-O 2.8Å; F95-L104 PolarHBondContact O-N 3.07Å; F95-F106 HydrophobicContact CD1-CD2 4.38Å; F95-F106 HydrophobicContact CD1-CE2 4.33Å; F95-F106 AromaticContact CE1-CD2 3.54Å; F95-F106 HydrophobicContact CE1-CD2 3.54Å; F95-F106 AromaticContact CE1-CE2 3.31Å; F95-F106 HydrophobicContact CE1-CE2 3.31Å; F95-F106 HydrophobicContact CE1-CZ 4.44Å; F95-F106 HydrophobicContact CE2-CE2 4.38Å; F95-F106 HydrophobicContact CZ-CD2 4.08Å; F95-F106 AromaticContact CZ-CE2 3.36Å; F95-F106 HydrophobicContact CZ-CE2 3.36Å; F95-F106 HydrophobicContact CZ-CZ 4.16Å; F95-A126 HydrophobicContact CE1-CB 3.67Å; F95-A126 HydrophobicContact CZ-CB 4.44Å; F95-F129 HydrophobicContact CZ-CD1 4.33Å; F95-L130 HydrophobicContact CE2-CD2 4.11Å; F95-L130 HydrophobicContact CZ-CD1 4.33Å; F95-L130 HydrophobicContact CZ-CD2 4.27Å; F95-L130 HydrophobicContact CZ-CG 4.22Å
96R83.8Confident81.2Confident108 Ų10859.1 Ų59.141%0.40831%0.314SS..EExtended strand (participates in β ladder)trans-111.2137.8173.3-179.1177.8-81.5168.1-9.1108.9S100 E101R96-S100 WeakPolarHBondContact CD-O 3.49Å; R96-S100 WeakPolarHBondContact CG-O 3.17Å; R96-E101 PolarHBondContact NE-O 3.35Å; R96-E101 PolarHBondContact NH2-O 3.48Å
97L82.3Confident82.3Confident16 Ų1659.9 Ų59.98%0.08431%0.307CS..  trans-82.4152.9170.8-68.9172.4000109.8W55 F95 D99 S100 L104 F129 L130 L137W55-L97 HydrophobicContact CE3-CD2 4.5Å; W55-L97 HydrophobicContact CH2-CD2 4.4Å; W55-L97 HydrophobicContact CZ3-CD2 3.85Å; F95-L97 HydrophobicContact CD2-CD2 4.37Å; F95-L97 HydrophobicContact CE2-CD2 3.93Å; F95-L97 HydrophobicContact CE2-CG 4.24Å; L97-D99 PolarHBondContact O-N 2.77Å; L97-S100 PolarHBondContact O-N 3.12Å; L97-L104 HydrophobicContact CD1-CD1 3.64Å; L97-L104 HydrophobicContact CG-CD1 3.89Å; L97-F129 HydrophobicContact CD1-CE1 4.27Å; L97-L130 HydrophobicContact CD2-CD2 3.76Å; L97-L137 HydrophobicContact CB-CD1 4.48Å; L97-L137 HydrophobicContact CB-CD2 4.48Å; L97-L137 HydrophobicContact CD1-CD1 3.94Å; L97-L137 HydrophobicContact CD1-CD2 4.49Å; L97-L137 HydrophobicContact CD2-CD1 3.87Å; L97-L137 HydrophobicContact CG-CD1 4.31Å
98P73.4Confident82.8Confident36 Ų3657.3 Ų57.323%0.23429%0.29CS..THydrogen-bonded Turntrans-54.4142.916928.3-37.1000109.7W55 S100W55-P98 HydrophobicContact CD2-CG 4.22Å; W55-P98 VanDerWaalsContact CE2-CD 3.45Å; W55-P98 VanDerWaalsContact CE2-CG 3.49Å; W55-P98 HydrophobicContact CH2-CG 4.1Å; W55-P98 HydrophobicContact CZ2-CG 3.44Å; W55-P98 VanDerWaalsContact CZ2-CG 3.44Å; P98-S100 PolarHBondContact O-N 3.31Å
99D73.3Confident82.5Confident152 Ų15259.1 Ų59.181%0.81330%0.301SS*.THydrogen-bonded Turntrans60.211.7177-44.7-45.7000115.5L97L97-D99 PolarHBondContact O-N 2.77Å
100S76.7Confident81.4Confident32 Ų3262.3 Ų62.322%0.22432%0.321CS..  trans-111.3126.3172.2-178.50000110R96 L97 P98 N102R96-S100 WeakPolarHBondContact CD-O 3.49Å; R96-S100 WeakPolarHBondContact CG-O 3.17Å; L97-S100 PolarHBondContact O-N 3.12Å; P98-S100 PolarHBondContact O-N 3.31Å; S100-N102 PolarHBondContact O-N 3.06Å; S100-N102 PolarHBondContact OG-N 2.82Å
101E78.4Confident80.6Confident172 Ų17268.2 Ų68.280%0.80435%0.348SS*.  trans-72.9-20.8171.3-61.3-169.3159.900111.8R96R96-E101 PolarHBondContact NE-O 3.35Å; R96-E101 PolarHBondContact NH2-O 3.48Å
102N81.1Confident79.8Confident115 Ų11568.3 Ų68.362%0.61535%0.349SS*.PPolyproline II helixtrans-76.2128.3-173.2-62.8-53.7000111.7S100S100-N102 PolarHBondContact O-N 3.06Å; S100-N102 PolarHBondContact OG-N 2.82Å
103I85.8Confident79Confident113 Ų11368.7 Ų68.758%0.57936%0.363SS*.EExtended strand (participates in β ladder)trans-83117.6169.2-60.8170.6000107.5T94T94-I103 HydrophobicContact CG2-CG2 4.44Å
104L87.4Confident78.5Confident39 Ų3972.1 Ų72.120%0.20438%0.384CS..EExtended strand (participates in β ladder)trans-83.6142.9174-59.9178.3000109.8T94 F95 L97 F106 F129T94-L104 CarbonylContact C-O 3.57Å; T94-L104 WeakPolarHBondContact CA-O 3.23Å; F95-L104 HydrophobicContact CD2-CD1 4.44Å; F95-L104 HydrophobicContact CE2-CB 4.28Å; F95-L104 HydrophobicContact CE2-CD1 3.73Å; F95-L104 HydrophobicContact CZ-CB 4.42Å; F95-L104 HydrophobicContact CZ-CD1 4.2Å; F95-L104 PolarHBondContact N-O 2.8Å; F95-L104 PolarHBondContact O-N 3.07Å; L97-L104 HydrophobicContact CD1-CD1 3.64Å; L97-L104 HydrophobicContact CG-CD1 3.89Å; L104-F106 HydrophobicContact CB-CE2 3.68Å; L104-F106 HydrophobicContact CB-CZ 4.18Å; L104-F106 HydrophobicContact CD1-CE2 4.47Å; L104-F106 HydrophobicContact CD1-CZ 4.49Å; L104-F129 HydrophobicContact CD1-CD1 4.12Å; L104-F129 HydrophobicContact CD1-CE1 3.26Å; L104-F129 HydrophobicContact CD1-CZ 3.66Å
105S88Confident78.2Confident47 Ų4775.4 Ų75.433%0.32940%0.395SS..EExtended strand (participates in β ladder)trans-135130.3-179-167.60000112.2Q92 V93 T94Q92-S105 WeakPolarHBondContact CG-OG 3.33Å; Q92-S105 PolarHBondContact NE2-OG 2.93Å; V93-S105 CarbonylContact O-C 3.53Å; V93-S105 WeakPolarHBondContact O-CA 3.37Å; T94-S105 WeakPolarHBondContact CG2-OG 3.39Å
106F87.2Confident77.9Confident31 Ų3177.5 Ų77.514%0.13641%0.411CS..EExtended strand (participates in β ladder)trans-126.6129.4-177.5-59.7-85.5000109.9Q92 V93 F95 L104 A126 F129Q92-F106 CarbonylContact C-O 3.56Å; Q92-F106 WeakPolarHBondContact CA-O 3.41Å; V93-F106 PolarHBondContact N-O 3.05Å; V93-F106 PolarHBondContact O-N 3.21Å; F95-F106 HydrophobicContact CD1-CD2 4.38Å; F95-F106 HydrophobicContact CD1-CE2 4.33Å; F95-F106 AromaticContact CE1-CD2 3.54Å; F95-F106 HydrophobicContact CE1-CD2 3.54Å; F95-F106 AromaticContact CE1-CE2 3.31Å; F95-F106 HydrophobicContact CE1-CE2 3.31Å; F95-F106 HydrophobicContact CE1-CZ 4.44Å; F95-F106 HydrophobicContact CE2-CE2 4.38Å; F95-F106 HydrophobicContact CZ-CD2 4.08Å; F95-F106 AromaticContact CZ-CE2 3.36Å; F95-F106 HydrophobicContact CZ-CE2 3.36Å; F95-F106 HydrophobicContact CZ-CZ 4.16Å; L104-F106 HydrophobicContact CB-CE2 3.68Å; L104-F106 HydrophobicContact CB-CZ 4.18Å; L104-F106 HydrophobicContact CD1-CE2 4.47Å; L104-F106 HydrophobicContact CD1-CZ 4.49Å; F106-A126 HydrophobicContact CB-CB 4.28Å; F106-A126 HydrophobicContact CD2-CB 3.81Å; F106-A126 HydrophobicContact CE2-CB 4.41Å; F106-A126 HydrophobicContact CG-CB 4.02Å; F106-F129 HydrophobicContact CD1-CB 4.39Å; F106-F129 HydrophobicContact CE1-CB 3.42Å; F106-F129 VanDerWaalsContact CE1-CB 3.42Å; F106-F129 HydrophobicContact CE1-CD1 4.25Å; F106-F129 AromaticContact CE1-CD2 4Å; F106-F129 HydrophobicContact CE1-CD2 4Å; F106-F129 AromaticContact CE1-CG 3.62Å; F106-F129 HydrophobicContact CE1-CG 3.62Å; F106-F129 HydrophobicContact CE2-CD1 4.28Å; F106-F129 HydrophobicContact CE2-CG 4.46Å; F106-F129 HydrophobicContact CZ-CB 3.55Å; F106-F129 AromaticContact CZ-CD1 3.5Å; F106-F129 HydrophobicContact CZ-CD1 3.5Å; F106-F129 VanDerWaalsContact CZ-CD1 3.5Å; F106-F129 AromaticContact CZ-CD2 3.9Å; F106-F129 HydrophobicContact CZ-CD2 3.9Å; F106-F129 HydrophobicContact CZ-CE1 4.14Å; F106-F129 HydrophobicContact CZ-CE2 4.48Å; F106-F129 AromaticContact CZ-CG 3.34Å; F106-F129 HydrophobicContact CZ-CG 3.34Å
107H82.8Confident77.7Confident113 Ų11375 Ų7552%0.52340%0.404SS..EExtended strand (participates in β ladder)trans-106.6146.5-176.6-64.9-96.6000111.3C91 Q92C91-H107 CarbonylContact O-C 3.58Å; C91-H107 WeakPolarHBondContact O-CA 3.37Å; Q92-H107 PolarHBondContact NE2-CE1 3.06Å
108S75.8Confident77.7Confident7 Ų774.2 Ų74.25%0.04940%0.4CS..  trans-67.3151163.872.30000109.8C91 A118C91-S108 PolarHBondContact N-OG 3.15Å; C91-S108 PolarHBondContact O-N 2.68Å; S108-A118 VanDerWaalsContact CB-O 3.23Å; S108-A118 WeakPolarHBondContact CB-O 3.17Å
109P68.2Low78.3Confident54 Ų5473.4 Ų73.435%0.35139%0.393SS..  trans-57.6151.7167.725.3-29.8000110.3E111 W121P109-E111 PolarHBondContact O-N 3.39Å; P109-W121 VanDerWaalsContact CD-CB 3.42Å; P109-W121 HydrophobicContact CG-CB 4.23Å; P109-W121 HydrophobicContact CG-CD2 4.2Å; P109-W121 HydrophobicContact CG-CG 3.96Å
110I59Low78.7Confident124 Ų12468.7 Ų68.764%0.63637%0.366SS*.THydrogen-bonded Turntrans-64.9-3.4-161.2-74.5169.6000114.8H90H90-I110 VanDerWaalsContact CE1-C 3.48Å; H90-I110 VanDerWaalsContact CE1-CA 3.5Å; H90-I110 WeakPolarHBondContact CE1-CA 3.29Å; H90-I110 PolarHBondContact CE1-O 2.73Å; H90-I110 PolarHBondContact NE2-O 2.86Å
111E66.6Low79Confident167 Ų16768 Ų6878%0.7836%0.358SS*.THydrogen-bonded Turntrans-141.251.2-170.2-59.2-178.3-178.400113.3P109P109-E111 PolarHBondContact O-N 3.39Å
112S67.5Low79.3Confident3 Ų359.8 Ų59.82%0.02132%0.32CS..BIsolated β-bridgetrans-75.8131.2174.2-56.90000110.5W89 T114 A118W89-S112 PolarHBondContact N-O 2.8Å; W89-S112 WeakPolarHBondContact O-CB 3.47Å; W89-S112 PolarHBondContact O-N 2.8Å; S112-T114 VanDerWaalsContact C-N 3.3Å; S112-T114 PolarHBondContact O-N 2.85Å; S112-A118 WeakPolarHBondContact OG-CA 3.24Å
113A74.1Confident79.5Confident72 Ų7254.3 Ų54.360%0.59529%0.29SS*.SBendtrans-74.4-25.8-176.800000112.1E117A113-E117 PolarHBondContact N-OE2 3.24Å
114T79.3Confident79.4Confident71 Ų7150.7 Ų50.744%0.43627%0.27SS..SBendtrans-130.1154.6-179.169.60000111.9W89 S112 S116 E117 A118W89-T114 VanDerWaalsContact CD1-C 3.46Å; S112-T114 VanDerWaalsContact C-N 3.3Å; S112-T114 PolarHBondContact O-N 2.85Å; T114-S116 VanDerWaalsContact C-N 3.29Å; T114-S116 PolarHBondContact O-N 2.97Å; T114-E117 PolarHBondContact O-N 2.96Å; T114-E117 VanDerWaalsContact OG1-CB 3.23Å; T114-E117 WeakPolarHBondContact OG1-CB 3.44Å; T114-E117 PolarHBondContact OG1-N 2.96Å; T114-E117 VanDerWaalsContact OG1-N 3.14Å; T114-A118 PolarHBondContact O-N 2.87Å; T114-A118 VanDerWaalsContact O-N 3.08Å
115K83Confident79.2Confident102 Ų10250.8 Ų50.844%0.44327%0.274SS..Hα-helixtrans-54.6-45.1172.4173.3167.9-180-1790112T62 W89 E117 A118 E119T62-K115 HydrophobicContact CG2-CB 4.41Å; T62-K115 HydrophobicContact CG2-CD 4.26Å; T62-K115 HydrophobicContact CG2-CG 3.71Å; W89-K115 HydrophobicContact CD2-CB 3.79Å; W89-K115 HydrophobicContact CE3-CB 3.82Å; W89-K115 HydrophobicContact CE3-CG 4.27Å; W89-K115 HydrophobicContact CG-CB 4.38Å; W89-K115 HydrophobicContact CH2-CB 4.08Å; W89-K115 HydrophobicContact CH2-CD 4.19Å; W89-K115 HydrophobicContact CZ2-CB 4.08Å; W89-K115 HydrophobicContact CZ3-CB 3.96Å; W89-K115 HydrophobicContact CZ3-CD 4Å; W89-K115 HydrophobicContact CZ3-CG 4.2Å; K115-E117 PolarHBondContact O-N 3.28Å; K115-A118 PolarHBondContact O-N 3.45Å; K115-E119 WeakPolarHBondContact CE-OE1 3.43Å; K115-E119 WeakPolarHBondContact O-CG 3.26Å; K115-E119 PolarHBondContact O-N 2.84Å
116S82.4Confident79.1Confident54 Ų5448.6 Ų48.638%0.37826%0.258SS..Hα-helixtrans-63.5-41.3-179.4178.40000111.9T114 E119 K120T114-S116 VanDerWaalsContact C-N 3.29Å; T114-S116 PolarHBondContact O-N 2.97Å; S116-E119 PolarHBondContact O-N 2.94Å; S116-K120 WeakPolarHBondContact O-CB 3.48Å; S116-K120 VanDerWaalsContact O-CG 3.26Å; S116-K120 WeakPolarHBondContact O-CG 3.39Å; S116-K120 PolarHBondContact O-N 2.84Å
117E80Confident79Confident55 Ų5547.1 Ų47.126%0.25725%0.252SS..Hα-helixtrans-63.3-44.1176.1-178.4177-15300111.8A113 T114 K115 E119 K120 W121A113-E117 PolarHBondContact N-OE2 3.24Å; T114-E117 PolarHBondContact O-N 2.96Å; T114-E117 VanDerWaalsContact OG1-CB 3.23Å; T114-E117 WeakPolarHBondContact OG1-CB 3.44Å; T114-E117 PolarHBondContact OG1-N 2.96Å; T114-E117 VanDerWaalsContact OG1-N 3.14Å; K115-E117 PolarHBondContact O-N 3.28Å; E117-E119 PolarHBondContact O-N 3.45Å; E117-K120 WeakPolarHBondContact O-CB 3.31Å; E117-K120 PolarHBondContact O-N 3.25Å; E117-W121 PolarHBondContact O-N 3.32Å
118A81.4Confident78.9Confident0 Ų043.7 Ų43.70%024%0.236CC..Hα-helixtrans-58.5-48.3175.600000111.3W89 C91 S108 S112 T114 K115 K120 W121 A122W89-A118 HydrophobicContact CB-CB 3.85Å; C91-A118 VanDerWaalsContact CB-C 3.42Å; C91-A118 HydrophobicContact CB-CB 3.63Å; C91-A118 WeakPolarHBondContact CB-O 3.4Å; S108-A118 VanDerWaalsContact CB-O 3.23Å; S108-A118 WeakPolarHBondContact CB-O 3.17Å; S112-A118 WeakPolarHBondContact OG-CA 3.24Å; T114-A118 PolarHBondContact O-N 2.87Å; T114-A118 VanDerWaalsContact O-N 3.08Å; K115-A118 PolarHBondContact O-N 3.45Å; A118-K120 VanDerWaalsContact C-N 3.34Å; A118-K120 PolarHBondContact O-N 3.29Å; A118-W121 PolarHBondContact O-N 2.86Å; A118-A122 PolarHBondContact O-N 2.91Å
119E85.5Confident79.2Confident19 Ų1946.6 Ų46.69%0.08925%0.248CC..Hα-helixtrans-62.1-40.3177.6-70.8179.9-170.200112.4K43 L60 T62 C91 K115 S116 E117 A123K43-E119 IonicContact NZ-OE2 2.71Å; K43-E119 PolarHBondContact NZ-OE2 2.86Å; L60-E119 HydrophobicContact CD2-CG 4.3Å; T62-E119 WeakPolarHBondContact OG1-CG 3.34Å; T62-E119 PolarHBondContact OG1-OE1 3.37Å; C91-E119 HydrophobicContact CB-CG 4.35Å; K115-E119 WeakPolarHBondContact CE-OE1 3.43Å; K115-E119 WeakPolarHBondContact O-CG 3.26Å; K115-E119 PolarHBondContact O-N 2.84Å; S116-E119 PolarHBondContact O-N 2.94Å; E117-E119 PolarHBondContact O-N 3.45Å; E119-A123 WeakPolarHBondContact O-CB 3.42Å; E119-A123 PolarHBondContact O-N 2.78Å
120K82.8Confident79.8Confident53 Ų5344.1 Ų44.123%0.2323%0.232CC..Hα-helixtrans-59.9-46.8175.3-78.5175.6-178.5-173.50111.2L34 H41 S116 E117 A118 Y124L34-K120 HydrophobicContact CD2-CB 4.42Å; L34-K120 HydrophobicContact CD2-CD 4.3Å; H41-K120 WeakPolarHBondContact CD2-CE 3.5Å; H41-K120 WeakPolarHBondContact CE1-CG 3.34Å; H41-K120 WeakPolarHBondContact NE2-CE 3.36Å; H41-K120 WeakPolarHBondContact NE2-CG 3.08Å; S116-K120 WeakPolarHBondContact O-CB 3.48Å; S116-K120 VanDerWaalsContact O-CG 3.26Å; S116-K120 WeakPolarHBondContact O-CG 3.39Å; S116-K120 PolarHBondContact O-N 2.84Å; E117-K120 WeakPolarHBondContact O-CB 3.31Å; E117-K120 PolarHBondContact O-N 3.25Å; A118-K120 VanDerWaalsContact C-N 3.34Å; A118-K120 PolarHBondContact O-N 3.29Å; K120-Y124 WeakPolarHBondContact O-CB 3.36Å; K120-Y124 PolarHBondContact O-N 3.22Å
121W82Confident80.6Confident16 Ų1640.3 Ų40.36%0.06121%0.21CC..Hα-helixtrans-67.8-44.2-179.6-79.6116.3000113.1L21 K32 L34 P109 E117 A118 A123 Y124 S125L21-W121 HydrophobicContact CD2-CH2 3.28Å; L21-W121 HydrophobicContact CD2-CZ2 4.27Å; L21-W121 HydrophobicContact CD2-CZ3 3.66Å; K32-W121 HydrophobicContact CB-CH2 3.55Å; K32-W121 HydrophobicContact CB-CZ2 3.42Å; K32-W121 VanDerWaalsContact CB-CZ2 3.42Å; K32-W121 HydrophobicContact CB-CZ3 4.47Å; K32-W121 HydrophobicContact CD-CH2 4.28Å; K32-W121 HydrophobicContact CD-CZ3 4.49Å; K32-W121 VanDerWaalsContact O-CZ2 3.24Å; K32-W121 WeakPolarHBondContact O-CZ2 3.2Å; L34-W121 HydrophobicContact CB-CH2 4.23Å; L34-W121 HydrophobicContact CB-CZ2 3.79Å; L34-W121 HydrophobicContact CD1-CD2 4.33Å; L34-W121 HydrophobicContact CD1-CE3 4.11Å; L34-W121 HydrophobicContact CD1-CH2 4.11Å; L34-W121 HydrophobicContact CD1-CZ2 4.3Å; L34-W121 HydrophobicContact CD1-CZ3 4.01Å; P109-W121 VanDerWaalsContact CD-CB 3.42Å; P109-W121 HydrophobicContact CG-CB 4.23Å; P109-W121 HydrophobicContact CG-CD2 4.2Å; P109-W121 HydrophobicContact CG-CG 3.96Å; E117-W121 PolarHBondContact O-N 3.32Å; A118-W121 PolarHBondContact O-N 2.86Å; W121-A123 VanDerWaalsContact C-N 3.33Å; W121-A123 PolarHBondContact O-N 2.94Å; W121-Y124 HydrophobicContact CE3-CD1 4.21Å; W121-Y124 HydrophobicContact CZ3-CD1 4.15Å; W121-Y124 PolarHBondContact O-N 3.26Å; W121-S125 PolarHBondContact O-N 3.49Å; W121-S125 PolarHBondContact O-OG 3.01Å; W121-S125 VanDerWaalsContact O-OG 3.13Å
122A85.3Confident80.9Confident0 Ų038.6 Ų38.60%020%0.202CC..Hα-helixtrans-62.6-42.8177.500000111.2C91 V93 A118 S125 A126C91-A122 HydrophobicContact CB-CB 3.97Å; V93-A122 HydrophobicContact CB-CB 4.38Å; V93-A122 HydrophobicContact CG2-CB 3.68Å; A118-A122 PolarHBondContact O-N 2.91Å; A122-S125 PolarHBondContact O-N 2.78Å; A122-A126 PolarHBondContact O-N 3.39Å; A122-A126 VanDerWaalsContact O-N 3.12Å
123A86.1Confident81Confident0 Ų039.9 Ų39.90%021%0.21CC..Hα-helixtrans-67.8-36.8175.800000112.5P42 K43 L46 V93 E119 W121 A126 C127P42-A123 HydrophobicContact CB-CB 4.16Å; K43-A123 HydrophobicContact CB-CB 4.12Å; L46-A123 HydrophobicContact CD2-CB 4.28Å; V93-A123 HydrophobicContact CG2-CB 4.47Å; E119-A123 WeakPolarHBondContact O-CB 3.42Å; E119-A123 PolarHBondContact O-N 2.78Å; W121-A123 VanDerWaalsContact C-N 3.33Å; W121-A123 PolarHBondContact O-N 2.94Å; A123-A126 WeakPolarHBondContact O-CB 3.31Å; A123-A126 PolarHBondContact O-N 3.33Å; A123-C127 WeakPolarHBondContact O-CB 3.36Å; A123-C127 PolarHBondContact O-N 3.49Å; A123-C127 PolarHBondContact O-SG 3.39Å
124Y83.6Confident80.2Confident37 Ų3744.1 Ų44.115%0.14522%0.215CC..Hα-helixtrans-61.7-48.1174.6177.3-98.7000111.4W18 L21 L34 K120 W121 A126 C127 E128W18-Y124 HydrophobicContact CB-CE2 4.27Å; W18-Y124 HydrophobicContact CD2-CD2 4.4Å; W18-Y124 HydrophobicContact CD2-CE2 4.35Å; W18-Y124 AromaticContact CE3-CD2 3.4Å; W18-Y124 HydrophobicContact CE3-CD2 3.4Å; W18-Y124 AromaticContact CE3-CE2 3.47Å; W18-Y124 HydrophobicContact CE3-CE2 3.47Å; W18-Y124 VanDerWaalsContact CE3-CE2 3.47Å; W18-Y124 AromaticContact CZ3-CD2 3.61Å; W18-Y124 HydrophobicContact CZ3-CD2 3.61Å; W18-Y124 HydrophobicContact CZ3-CE2 4.13Å; L21-Y124 HydrophobicContact CD1-CD1 4.34Å; L21-Y124 HydrophobicContact CD1-CD2 3.51Å; L21-Y124 HydrophobicContact CD1-CE1 4Å; L21-Y124 HydrophobicContact CD1-CE2 3.14Å; L21-Y124 HydrophobicContact CD1-CG 4.12Å; L21-Y124 VanDerWaalsContact CD1-CZ 3.42Å; L21-Y124 HydrophobicContact CG-CE2 4.44Å; L34-Y124 HydrophobicContact CD1-CD2 4.26Å; L34-Y124 HydrophobicContact CD1-CG 4.08Å; K120-Y124 WeakPolarHBondContact O-CB 3.36Å; K120-Y124 PolarHBondContact O-N 3.22Å; W121-Y124 HydrophobicContact CE3-CD1 4.21Å; W121-Y124 HydrophobicContact CZ3-CD1 4.15Å; W121-Y124 PolarHBondContact O-N 3.26Å; Y124-A126 VanDerWaalsContact C-N 3.28Å; Y124-A126 PolarHBondContact O-N 3.08Å; Y124-C127 WeakPolarHBondContact O-CB 3.39Å; Y124-C127 PolarHBondContact O-N 3.27Å; Y124-C127 VanDerWaalsContact O-N 3.12Å; Y124-E128 HydrophobicContact CD1-CG 4.17Å; Y124-E128 HydrophobicContact CD2-CG 4.49Å; Y124-E128 HydrophobicContact CE1-CG 3.59Å; Y124-E128 HydrophobicContact CE2-CG 3.9Å; Y124-E128 WeakPolarHBondContact CE2-OE1 3.39Å; Y124-E128 VanDerWaalsContact CZ-CG 3.4Å; Y124-E128 PolarHBondContact O-N 2.71Å; Y124-E128 VanDerWaalsContact OH-CD 3.26Å; Y124-E128 PolarHBondContact OH-OE1 3.16Å
125S83.4Confident78.9Confident42 Ų4244.1 Ų44.129%0.29421%0.209SC..Hα-helixtrans-57.9-40.9175.8-61.10000112.3W121 A122 F129W121-S125 PolarHBondContact O-N 3.49Å; W121-S125 PolarHBondContact O-OG 3.01Å; W121-S125 VanDerWaalsContact O-OG 3.13Å; A122-S125 PolarHBondContact O-N 2.78Å; S125-F129 PolarHBondContact O-N 2.97Å
126A85.4Confident77.5Confident0 Ų042.6 Ų42.60%022%0.216CC..Hα-helixtrans-62.7-44.2174.400000112.6L46 V93 F95 F106 A122 A123 Y124 F129 L130L46-A126 HydrophobicContact CD1-CB 4.13Å; L46-A126 HydrophobicContact CD2-CB 3.9Å; V93-A126 HydrophobicContact CG1-CB 4.05Å; F95-A126 HydrophobicContact CE1-CB 3.67Å; F95-A126 HydrophobicContact CZ-CB 4.44Å; F106-A126 HydrophobicContact CB-CB 4.28Å; F106-A126 HydrophobicContact CD2-CB 3.81Å; F106-A126 HydrophobicContact CE2-CB 4.41Å; F106-A126 HydrophobicContact CG-CB 4.02Å; A122-A126 PolarHBondContact O-N 3.39Å; A122-A126 VanDerWaalsContact O-N 3.12Å; A123-A126 WeakPolarHBondContact O-CB 3.31Å; A123-A126 PolarHBondContact O-N 3.33Å; Y124-A126 VanDerWaalsContact C-N 3.28Å; Y124-A126 PolarHBondContact O-N 3.08Å; A126-F129 PolarHBondContact O-N 3.14Å; A126-L130 WeakPolarHBondContact O-CG 3.46Å; A126-L130 PolarHBondContact O-N 2.83Å
127C84.2Confident76.2Confident0 Ų041.8 Ų41.80%021%0.207CC..Hα-helixtrans-64.8-44.2176.9-74.70000112.5F11 L15 W18 A123 Y124 F129 L130 K131F11-C127 HydrophobicContact CZ-CB 4.22Å; L15-C127 HydrophobicContact CD1-CB 3.93Å; L15-C127 WeakPolarHBondContact CD1-O 3.46Å; L15-C127 HydrophobicContact CD2-CB 3.73Å; W18-C127 HydrophobicContact CE3-CB 4.47Å; W18-C127 HydrophobicContact CH2-CB 3.93Å; W18-C127 HydrophobicContact CZ3-CB 3.46Å; W18-C127 VanDerWaalsContact CZ3-CB 3.46Å; A123-C127 WeakPolarHBondContact O-CB 3.36Å; A123-C127 PolarHBondContact O-N 3.49Å; A123-C127 PolarHBondContact O-SG 3.39Å; Y124-C127 WeakPolarHBondContact O-CB 3.39Å; Y124-C127 PolarHBondContact O-N 3.27Å; Y124-C127 VanDerWaalsContact O-N 3.12Å; C127-F129 VanDerWaalsContact C-N 3.29Å; C127-F129 PolarHBondContact O-N 2.84Å; C127-L130 PolarHBondContact O-N 2.85Å; C127-L130 VanDerWaalsContact O-N 3.15Å; C127-K131 PolarHBondContact O-N 3.46Å
128E80.5Confident75Confident42 Ų4239.7 Ų39.720%0.19620%0.197CC..Hα-helixtrans-60.8-40.9175.3-73.9-64.913800111Y124 L130 K131 E132Y124-E128 HydrophobicContact CD1-CG 4.17Å; Y124-E128 HydrophobicContact CD2-CG 4.49Å; Y124-E128 HydrophobicContact CE1-CG 3.59Å; Y124-E128 HydrophobicContact CE2-CG 3.9Å; Y124-E128 WeakPolarHBondContact CE2-OE1 3.39Å; Y124-E128 VanDerWaalsContact CZ-CG 3.4Å; Y124-E128 PolarHBondContact O-N 2.71Å; Y124-E128 VanDerWaalsContact OH-CD 3.26Å; Y124-E128 PolarHBondContact OH-OE1 3.16Å; E128-L130 PolarHBondContact O-N 2.88Å; E128-K131 WeakPolarHBondContact O-CB 3.46Å; E128-K131 PolarHBondContact O-N 3.33Å; E128-K131 IonicContact OE2-NZ 3.8Å; E128-E132 WeakPolarHBondContact O-CG 3.23Å; E128-E132 PolarHBondContact O-N 2.81Å
129F82.9Confident73.5Confident68 Ų6846.1 Ų46.130%0.29823%0.227SC..Hα-helixtrans-58.8-46.9172.4172.9-93.7000111.9F95 L97 L104 F106 S125 A126 C127 K131 E132 V133F95-F129 HydrophobicContact CZ-CD1 4.33Å; L97-F129 HydrophobicContact CD1-CE1 4.27Å; L104-F129 HydrophobicContact CD1-CD1 4.12Å; L104-F129 HydrophobicContact CD1-CE1 3.26Å; L104-F129 HydrophobicContact CD1-CZ 3.66Å; F106-F129 HydrophobicContact CD1-CB 4.39Å; F106-F129 HydrophobicContact CE1-CB 3.42Å; F106-F129 VanDerWaalsContact CE1-CB 3.42Å; F106-F129 HydrophobicContact CE1-CD1 4.25Å; F106-F129 AromaticContact CE1-CD2 4Å; F106-F129 HydrophobicContact CE1-CD2 4Å; F106-F129 AromaticContact CE1-CG 3.62Å; F106-F129 HydrophobicContact CE1-CG 3.62Å; F106-F129 HydrophobicContact CE2-CD1 4.28Å; F106-F129 HydrophobicContact CE2-CG 4.46Å; F106-F129 HydrophobicContact CZ-CB 3.55Å; F106-F129 AromaticContact CZ-CD1 3.5Å; F106-F129 HydrophobicContact CZ-CD1 3.5Å; F106-F129 VanDerWaalsContact CZ-CD1 3.5Å; F106-F129 AromaticContact CZ-CD2 3.9Å; F106-F129 HydrophobicContact CZ-CD2 3.9Å; F106-F129 HydrophobicContact CZ-CE1 4.14Å; F106-F129 HydrophobicContact CZ-CE2 4.48Å; F106-F129 AromaticContact CZ-CG 3.34Å; F106-F129 HydrophobicContact CZ-CG 3.34Å; S125-F129 PolarHBondContact O-N 2.97Å; A126-F129 PolarHBondContact O-N 3.14Å; C127-F129 VanDerWaalsContact C-N 3.29Å; C127-F129 PolarHBondContact O-N 2.84Å; F129-K131 PolarHBondContact O-N 2.98Å; F129-E132 CarbonylContact O-C 3.6Å; F129-E132 PolarHBondContact O-N 2.79Å; F129-V133 HydrophobicContact CD1-CG2 3.82Å; F129-V133 HydrophobicContact CD2-CG2 4.35Å; F129-V133 HydrophobicContact CE1-CG2 3.27Å; F129-V133 HydrophobicContact CE2-CG2 3.87Å; F129-V133 HydrophobicContact CG-CG2 4.33Å; F129-V133 HydrophobicContact CZ-CG2 3.3Å; F129-V133 WeakPolarHBondContact O-CG2 3.49Å; F129-V133 PolarHBondContact O-N 2.98Å
130L80Confident71.8Confident1 Ų148.5 Ų48.51%0.00525%0.246CC..Hα-helixtrans-64.1-29.8178.4-70.3165.5000113.1F8 F11 L46 F49 F50 F95 L97 A126 C127 E128 E132F8-L130 WeakPolarHBondContact CE2-O 2.92Å; F8-L130 VanDerWaalsContact CZ-O 3.23Å; F8-L130 WeakPolarHBondContact CZ-O 3.24Å; F11-L130 HydrophobicContact CE1-CB 3.67Å; F11-L130 HydrophobicContact CE1-CD1 4.21Å; F11-L130 HydrophobicContact CZ-CB 4.22Å; F11-L130 HydrophobicContact CZ-CD1 4.02Å; L46-L130 HydrophobicContact CD1-CD1 3.51Å; F49-L130 HydrophobicContact CD1-CD1 4.29Å; F49-L130 HydrophobicContact CE1-CD1 4.28Å; F50-L130 HydrophobicContact CE2-CD1 3.6Å; F50-L130 HydrophobicContact CZ-CD1 4.13Å; F95-L130 HydrophobicContact CE2-CD2 4.11Å; F95-L130 HydrophobicContact CZ-CD1 4.33Å; F95-L130 HydrophobicContact CZ-CD2 4.27Å; F95-L130 HydrophobicContact CZ-CG 4.22Å; L97-L130 HydrophobicContact CD2-CD2 3.76Å; A126-L130 WeakPolarHBondContact O-CG 3.46Å; A126-L130 PolarHBondContact O-N 2.83Å; C127-L130 PolarHBondContact O-N 2.85Å; C127-L130 VanDerWaalsContact O-N 3.15Å; E128-L130 PolarHBondContact O-N 2.88Å; L130-E132 VanDerWaalsContact C-N 3.34Å
131K76.9Confident70Confident44 Ų4449 Ų4919%0.19126%0.256CS..Hα-helixtrans-65.9-39.1172.5-171-174.3169.3-169.10111.5V12 L15 C127 E128 F129V12-K131 HydrophobicContact CG1-CG 4.29Å; L15-K131 HydrophobicContact CB-CD 4.19Å; L15-K131 HydrophobicContact CD1-CB 3.8Å; L15-K131 HydrophobicContact CD1-CG 4.38Å; C127-K131 PolarHBondContact O-N 3.46Å; E128-K131 WeakPolarHBondContact O-CB 3.46Å; E128-K131 PolarHBondContact O-N 3.33Å; E128-K131 IonicContact OE2-NZ 3.8Å; F129-K131 PolarHBondContact O-N 2.98Å
132E73.5Confident68.2Low131 Ų13154 Ų5461%0.61228%0.283SS*.Hα-helixtrans-79.6-29.1179.4-68.3-59.9142.900113.2E128 F129 L130 K134E128-E132 WeakPolarHBondContact O-CG 3.23Å; E128-E132 PolarHBondContact O-N 2.81Å; F129-E132 CarbonylContact O-C 3.6Å; F129-E132 PolarHBondContact O-N 2.79Å; L130-E132 VanDerWaalsContact C-N 3.34Å; E132-K134 PolarHBondContact O-N 2.9Å
133V68.6Low66.4Low31 Ų3159 Ų5919%0.18832%0.318CS..SBendtrans-66.787.6167.3-179.70000107.3F8 F129 L137F8-V133 VanDerWaalsContact CZ-O 3.24Å; F8-V133 WeakPolarHBondContact CZ-O 3.43Å; F129-V133 HydrophobicContact CD1-CG2 3.82Å; F129-V133 HydrophobicContact CD2-CG2 4.35Å; F129-V133 HydrophobicContact CE1-CG2 3.27Å; F129-V133 HydrophobicContact CE2-CG2 3.87Å; F129-V133 HydrophobicContact CG-CG2 4.33Å; F129-V133 HydrophobicContact CZ-CG2 3.3Å; F129-V133 WeakPolarHBondContact O-CG2 3.49Å; F129-V133 PolarHBondContact O-N 2.98Å; V133-L137 HydrophobicContact CG1-CD1 3.6Å; V133-L137 HydrophobicContact CG1-CG 3.94Å
134K58.1Low64.5Low161 Ų16167.3 Ų67.370%0.736%0.357SS*.  trans-53.6165.7174.3-64.4-177.5-177.9179.10109.9E132 A136E132-K134 PolarHBondContact O-N 2.9Å; K134-A136 PolarHBondContact O-N 2.65Å
135F52Low62.5Low70 Ų7076.9 Ų76.931%0.30740%0.403SS..THydrogen-bonded Turntrans-43-0175.5-78.9-88.8000118.1F8 L9 L137 F138 E139F8-F135 HydrophobicContact CD1-CD1 4.23Å; F8-F135 HydrophobicContact CD1-CD2 4.36Å; F8-F135 AromaticContact CD1-CE1 3.72Å; F8-F135 HydrophobicContact CD1-CE1 3.72Å; F8-F135 AromaticContact CD1-CE2 3.86Å; F8-F135 HydrophobicContact CD1-CE2 3.86Å; F8-F135 HydrophobicContact CD1-CG 4.5Å; F8-F135 AromaticContact CD1-CZ 3.47Å; F8-F135 HydrophobicContact CD1-CZ 3.47Å; F8-F135 VanDerWaalsContact CD1-CZ 3.47Å; F8-F135 HydrophobicContact CE1-CD2 4.18Å; F8-F135 HydrophobicContact CE1-CE1 4.45Å; F8-F135 AromaticContact CE1-CE2 3.92Å; F8-F135 HydrophobicContact CE1-CE2 3.92Å; F8-F135 HydrophobicContact CE1-CZ 4.02Å; L9-F135 HydrophobicContact CD1-CZ 4.47Å; L9-F135 HydrophobicContact CD2-CE1 4.36Å; L9-F135 HydrophobicContact CD2-CE2 3.72Å; L9-F135 HydrophobicContact CD2-CZ 3.27Å; L9-F135 HydrophobicContact CG-CE1 4.23Å; L9-F135 HydrophobicContact CG-CE2 4.44Å; L9-F135 HydrophobicContact CG-CZ 3.52Å; F135-L137 PolarHBondContact O-N 3.15Å; F135-L137 VanDerWaalsContact O-N 3.15Å; F135-F138 HydrophobicContact CD1-CB 4.23Å; F135-F138 HydrophobicContact CD1-CD2 4.09Å; F135-F138 WeakPolarHBondContact O-CA 3.41Å; F135-F138 PolarHBondContact O-N 3.18Å; F135-E139 PolarHBondContact O-N 3.07Å
136A53.5Low61.5Low70 Ų7078.6 Ų78.658%0.57941%0.409SS*.Hα-helixtrans-51.7-31.9172.400000113.4K134 F138 S140K134-A136 PolarHBondContact O-N 2.65Å; A136-F138 VanDerWaalsContact C-N 3.27Å; A136-F138 PolarHBondContact O-N 3.02Å; A136-S140 PolarHBondContact O-OG 2.72Å
137L55.3Low60.2Low37 Ų3782.7 Ų82.719%0.19443%0.43CS..Hα-helixtrans-69-22.5172.3-75.8171.6000113.8W55 L97 V133 F135W55-L137 HydrophobicContact CH2-CD1 4.32Å; L97-L137 HydrophobicContact CB-CD1 4.48Å; L97-L137 HydrophobicContact CB-CD2 4.48Å; L97-L137 HydrophobicContact CD1-CD1 3.94Å; L97-L137 HydrophobicContact CD1-CD2 4.49Å; L97-L137 HydrophobicContact CD2-CD1 3.87Å; L97-L137 HydrophobicContact CG-CD1 4.31Å; V133-L137 HydrophobicContact CG1-CD1 3.6Å; V133-L137 HydrophobicContact CG1-CG 3.94Å; F135-L137 PolarHBondContact O-N 3.15Å; F135-L137 VanDerWaalsContact O-N 3.15Å
138F53.4Low58.9Low11 Ų1187.3 Ų87.35%0.04845%0.454CS..Hα-helixtrans-103.2-23.1-173.9-65.7-68.9000113.7Q4 F8 M53 W55 F135 A136 S140 S141Q4-F138 HydrophobicContact CB-CD1 4.08Å; Q4-F138 HydrophobicContact CB-CE1 3.89Å; F8-F138 HydrophobicContact CB-CD2 4.25Å; F8-F138 HydrophobicContact CB-CE2 3.52Å; F8-F138 HydrophobicContact CB-CZ 3.8Å; F8-F138 HydrophobicContact CD1-CD2 4.11Å; F8-F138 AromaticContact CD1-CE2 3.77Å; F8-F138 HydrophobicContact CD1-CE2 3.77Å; F8-F138 AromaticContact CD2-CE2 3.59Å; F8-F138 HydrophobicContact CD2-CE2 3.59Å; F8-F138 HydrophobicContact CD2-CZ 4.12Å; F8-F138 HydrophobicContact CE1-CE2 4.37Å; F8-F138 HydrophobicContact CE2-CE2 4.2Å; F8-F138 HydrophobicContact CG-CD2 4.09Å; F8-F138 AromaticContact CG-CE2 3.33Å; F8-F138 HydrophobicContact CG-CE2 3.33Å; F8-F138 HydrophobicContact CG-CZ 4.01Å; M53-F138 HydrophobicContact CE-CE1 3.25Å; M53-F138 HydrophobicContact CE-CZ 3.39Å; W55-F138 AromaticContact CH2-CZ 3.94Å; W55-F138 HydrophobicContact CH2-CZ 3.94Å; W55-F138 HydrophobicContact CZ2-CE1 4.04Å; W55-F138 AromaticContact CZ2-CZ 3.79Å; W55-F138 HydrophobicContact CZ2-CZ 3.79Å; F135-F138 HydrophobicContact CD1-CB 4.23Å; F135-F138 HydrophobicContact CD1-CD2 4.09Å; F135-F138 WeakPolarHBondContact O-CA 3.41Å; F135-F138 PolarHBondContact O-N 3.18Å; A136-F138 VanDerWaalsContact C-N 3.27Å; A136-F138 PolarHBondContact O-N 3.02Å; F138-S140 VanDerWaalsContact C-N 3.32Å; F138-S141 PolarHBondContact O-N 2.98Å
139E50.1Low57.6Low135 Ų13590 Ų9063%0.63147%0.469SS*.Hα-helixtrans-71.1-27.3176.7-77.4-163.7155.900113F135 S141 L142 S143F135-E139 PolarHBondContact O-N 3.07Å; E139-S141 PolarHBondContact O-N 2.86Å; E139-L142 PolarHBondContact O-N 2.95Å; E139-S143 PolarHBondContact O-N 3Å
140S49.6Very low56Low70 Ų7091.4 Ų91.449%0.4948%0.48SS..THydrogen-bonded Turntrans-57.7-33.8175.7-47.40000112.1A136 F138A136-S140 PolarHBondContact O-OG 2.72Å; F138-S140 VanDerWaalsContact C-N 3.32Å
141S45.1Very low54.4Low62 Ų6297.4 Ų97.443%0.43451%0.511SS..THydrogen-bonded Turntrans-82-12178.3-56.80000114.6F138 E139F138-S141 PolarHBondContact O-N 2.98Å; E139-S141 PolarHBondContact O-N 2.86Å
142L44.6Very low52.8Low122 Ų122101.2 Ų101.264%0.63953%0.534SS*.THydrogen-bonded Turntrans-89.9-16.4176.7-96151.3000112.9E139E139-L142 PolarHBondContact O-N 2.95Å
143S47.7Very low51.3Low105 Ų10598.9 Ų98.973%0.73453%0.528SS*.SBendtrans-91.3-6.1179-56.50000113.9E139E139-S143 PolarHBondContact O-N 3Å
144E45.3Very low49.8Very low174 Ų174104.6 Ų104.681%0.81356%0.557SS**  trans-101.713.7179.3-70.7-169.9104.800114.2
145Q42.9Very low49Very low238 Ų23899.5 Ų99.5100%1.11254%0.544SS*.  trans-111.10167.5-76.7-173.65.600111

Retrieved 145 of 145 residues in 44.1 ms (Link to these results)

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