MDEP_STAA8 Loading...

Multidrug resistance efflux pump SepA

Involved in multidrug efflux.

AlphaFold DB , UniProt , Accession Q2FW84, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene sepA, Length 157 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
1M61.4Low77.7Confident213 Ų213131.9 Ų131.9100%1.04962%0.623SS**  0-53.90-160.4170.2178.100112.5V3 N4 Y5M1-V3 PolarHBondContact O-N 3.19Å; M1-N4 PolarHBondContact O-N 3.36Å; M1-Y5 PolarHBondContact O-N 3.43Å
2I70.8Confident78.8Confident130 Ų130127.9 Ų127.967%0.66761%0.609SS**Hα-helixtrans-59.6-43.3-179.8-62170.6000113.1N4 Y5 L6I2-N4 PolarHBondContact O-N 3.44Å; I2-Y5 PolarHBondContact O-N 2.92Å; I2-L6 HydrophobicContact CG2-CD1 3.9Å; I2-L6 HydrophobicContact CG2-CG 4.3Å; I2-L6 WeakPolarHBondContact O-CG 3.46Å; I2-L6 PolarHBondContact O-N 3.24Å
3V72.4Confident79.9Confident112 Ų112126.2 Ų126.268%0.67961%0.605SS**Hα-helixtrans-61.6-42.6180179.80000112.2M1 L6 K7M1-V3 PolarHBondContact O-N 3.19Å; V3-L6 PolarHBondContact O-N 3.47Å; V3-K7 VanDerWaalsContact O-CB 3.26Å; V3-K7 WeakPolarHBondContact O-CB 3.42Å; V3-K7 PolarHBondContact O-N 2.94Å
4N73.2Confident80.8Confident120 Ų120122.5 Ų122.564%0.64259%0.589SS**Hα-helixtrans-66.6-38.8176.9-77.7-4.1000111.9M1 I2 K7 H8M1-N4 PolarHBondContact O-N 3.36Å; I2-N4 PolarHBondContact O-N 3.44Å; N4-K7 PolarHBondContact O-N 3.44Å; N4-H8 WeakPolarHBondContact O-CB 3.26Å; N4-H8 PolarHBondContact O-N 2.95Å
5Y73.5Confident81.6Confident156 Ų156119.7 Ų119.761%0.61258%0.582SS**Hα-helixtrans-63.4-46.3175.1176.7-96.4000112M1 I2 H8 K9M1-Y5 PolarHBondContact O-N 3.43Å; I2-Y5 PolarHBondContact O-N 2.92Å; Y5-H8 PolarHBondContact O-N 3.49Å; Y5-K9 PolarHBondContact O-N 3.47Å
6L78.4Confident82.4Confident101 Ų101117.1 Ų117.153%0.52958%0.576SS.*Hα-helixtrans-63.2-42.9176.4-72.5172.8000111.9I2 V3 H8 K9 F10I2-L6 HydrophobicContact CG2-CD1 3.9Å; I2-L6 HydrophobicContact CG2-CG 4.3Å; I2-L6 WeakPolarHBondContact O-CG 3.46Å; I2-L6 PolarHBondContact O-N 3.24Å; V3-L6 PolarHBondContact O-N 3.47Å; L6-H8 PolarHBondContact O-N 3.35Å; L6-K9 PolarHBondContact O-N 3.26Å; L6-F10 WeakPolarHBondContact O-CB 3.42Å; L6-F10 PolarHBondContact O-N 3.29Å
7K78.5Confident83.1Confident117 Ų117117.2 Ų117.251%0.50958%0.577SS.*Hα-helixtrans-59.2-46.4175.7-177.2170.7179.5177.90111.1V3 N4 F10 Y11V3-K7 VanDerWaalsContact O-CB 3.26Å; V3-K7 WeakPolarHBondContact O-CB 3.42Å; V3-K7 PolarHBondContact O-N 2.94Å; N4-K7 PolarHBondContact O-N 3.44Å; K7-F10 PolarHBondContact O-N 3.42Å; K7-Y11 HydrophobicContact CD-CE2 4.02Å; K7-Y11 VanDerWaalsContact CE-CE2 3.44Å; K7-Y11 HydrophobicContact CG-CD2 3.79Å; K7-Y11 HydrophobicContact CG-CE2 3.39Å; K7-Y11 WeakPolarHBondContact O-CD2 3.47Å; K7-Y11 PolarHBondContact O-N 2.8Å
8H81.5Confident83.8Confident119 Ų119115.6 Ų115.655%0.55157%0.57SS**Hα-helixtrans-63.8-41.9176.4-168.3-78.7000112.5N4 Y5 L6 Y11 N12N4-H8 WeakPolarHBondContact O-CB 3.26Å; N4-H8 PolarHBondContact O-N 2.95Å; Y5-H8 PolarHBondContact O-N 3.49Å; L6-H8 PolarHBondContact O-N 3.35Å; H8-Y11 PolarHBondContact O-N 2.91Å; H8-N12 PolarHBondContact CE1-ND2 3.47Å; H8-N12 VanDerWaalsContact CE1-ND2 3.26Å; H8-N12 PolarHBondContact ND1-ND2 2.95Å; H8-N12 WeakPolarHBondContact O-CB 3.07Å; H8-N12 VanDerWaalsContact O-CG 3.32Å; H8-N12 PolarHBondContact O-N 2.88Å; H8-N12 PolarHBondContact O-OD1 3.43Å
9K86.4Confident84.4Confident130 Ų130114.2 Ų114.257%0.56557%0.568SS**Hα-helixtrans-64.1-40.4176.5-169.3175.7-177.5179.30112Y5 L6 N12 L13Y5-K9 PolarHBondContact O-N 3.47Å; L6-K9 PolarHBondContact O-N 3.26Å; K9-N12 PolarHBondContact O-N 3.29Å; K9-L13 WeakPolarHBondContact O-CB 3.36Å; K9-L13 PolarHBondContact O-N 2.94Å
10F89.1Confident84.9Confident131 Ų131113.5 Ų113.558%0.57557%0.566SS**Hα-helixtrans-65.5-44.8175.9-177.3-97.2000111.9L6 K7 N12 L13 L14L6-F10 WeakPolarHBondContact O-CB 3.42Å; L6-F10 PolarHBondContact O-N 3.29Å; K7-F10 PolarHBondContact O-N 3.42Å; F10-N12 PolarHBondContact O-N 3.3Å; F10-L13 PolarHBondContact O-N 3.3Å; F10-L14 WeakPolarHBondContact O-CB 3.44Å; F10-L14 PolarHBondContact O-N 3.31Å
11Y89.2Confident85.4Confident122 Ų122114.5 Ų114.548%0.47857%0.567SS.*Hα-helixtrans-60.2-45.9174.1-78.9-62.5000111.9K7 H8 L13 L14 T15K7-Y11 HydrophobicContact CD-CE2 4.02Å; K7-Y11 VanDerWaalsContact CE-CE2 3.44Å; K7-Y11 HydrophobicContact CG-CD2 3.79Å; K7-Y11 HydrophobicContact CG-CE2 3.39Å; K7-Y11 WeakPolarHBondContact O-CD2 3.47Å; K7-Y11 PolarHBondContact O-N 2.8Å; H8-Y11 PolarHBondContact O-N 2.91Å; Y11-L13 VanDerWaalsContact C-N 3.35Å; Y11-L13 PolarHBondContact O-N 2.9Å; Y11-L14 PolarHBondContact O-N 2.92Å; Y11-T15 WeakPolarHBondContact O-CB 3.41Å; Y11-T15 PolarHBondContact O-N 2.95Å; Y11-T15 PolarHBondContact O-OG1 2.89Å
12N91.2Very high87.1Confident84 Ų84109.2 Ų109.245%0.44954%0.542SS..Hα-helixtrans-59.6-45.5177.1-74.81.1000111.8H8 K9 F10 L14 T15 T16H8-N12 PolarHBondContact CE1-ND2 3.47Å; H8-N12 VanDerWaalsContact CE1-ND2 3.26Å; H8-N12 PolarHBondContact ND1-ND2 2.95Å; H8-N12 WeakPolarHBondContact O-CB 3.07Å; H8-N12 VanDerWaalsContact O-CG 3.32Å; H8-N12 PolarHBondContact O-N 2.88Å; H8-N12 PolarHBondContact O-OD1 3.43Å; K9-N12 PolarHBondContact O-N 3.29Å; F10-N12 PolarHBondContact O-N 3.3Å; N12-L14 PolarHBondContact O-N 3.33Å; N12-T15 PolarHBondContact O-N 3.5Å; N12-T16 WeakPolarHBondContact O-CB 3.3Å; N12-T16 PolarHBondContact O-N 3.37Å; N12-T16 PolarHBondContact O-OG1 2.99Å
13L92.6Very high88.2Confident106 Ų106110.3 Ų110.356%0.55554%0.543SS*.Hα-helixtrans-59.5-47.6176.6-171.782.9000111.2K9 F10 Y11 T16 M17K9-L13 WeakPolarHBondContact O-CB 3.36Å; K9-L13 PolarHBondContact O-N 2.94Å; F10-L13 PolarHBondContact O-N 3.3Å; Y11-L13 VanDerWaalsContact C-N 3.35Å; Y11-L13 PolarHBondContact O-N 2.9Å; L13-T16 PolarHBondContact O-N 3.25Å; L13-M17 WeakPolarHBondContact O-CG 3.44Å; L13-M17 PolarHBondContact O-N 3.23Å
14L93Very high89.3Confident74 Ų74109.5 Ų109.539%0.38754%0.538SS..Hα-helixtrans-61.9-45.5179.1-175.869.6000111.3F10 Y11 N12 T16 M17 I18F10-L14 WeakPolarHBondContact O-CB 3.44Å; F10-L14 PolarHBondContact O-N 3.31Å; Y11-L14 PolarHBondContact O-N 2.92Å; N12-L14 PolarHBondContact O-N 3.33Å; L14-T16 PolarHBondContact O-N 3.01Å; L14-M17 PolarHBondContact O-N 2.9Å; L14-I18 HydrophobicContact CG-CD1 4.02Å; L14-I18 VanDerWaalsContact O-CG1 3.3Å; L14-I18 WeakPolarHBondContact O-CG1 3.48Å; L14-I18 PolarHBondContact O-N 3.39Å
15T93.3Very high90.3Very high80 Ų80108 Ų10849%0.49153%0.529SS..Hα-helixtrans-60.6-45.5176-59.90000110.9Y11 N12 M17 I18 V19Y11-T15 WeakPolarHBondContact O-CB 3.41Å; Y11-T15 PolarHBondContact O-N 2.95Å; Y11-T15 PolarHBondContact O-OG1 2.89Å; N12-T15 PolarHBondContact O-N 3.5Å; T15-M17 VanDerWaalsContact C-N 3.32Å; T15-M17 PolarHBondContact O-N 3.43Å; T15-I18 PolarHBondContact O-N 3.5Å; T15-V19 HydrophobicContact CG2-CG2 4.4Å; T15-V19 VanDerWaalsContact O-CG2 3.31Å; T15-V19 WeakPolarHBondContact O-CG2 3.34Å; T15-V19 PolarHBondContact O-N 2.82Å
16T93.4Very high91.3Very high79 Ų79104.1 Ų104.149%0.48553%0.525SS..Hα-helixtrans-60.3-42.2175.6-58.60000111.5N12 L13 L14 V19 L20N12-T16 WeakPolarHBondContact O-CB 3.3Å; N12-T16 PolarHBondContact O-N 3.37Å; N12-T16 PolarHBondContact O-OG1 2.99Å; L13-T16 PolarHBondContact O-N 3.25Å; L14-T16 PolarHBondContact O-N 3.01Å; T16-V19 PolarHBondContact O-N 2.82Å; T16-L20 HydrophobicContact CG2-CD1 3.93Å; T16-L20 HydrophobicContact CG2-CG 4.37Å; T16-L20 WeakPolarHBondContact O-CB 3.41Å; T16-L20 VanDerWaalsContact O-CG 3.26Å; T16-L20 WeakPolarHBondContact O-CG 3.39Å; T16-L20 PolarHBondContact O-N 3.21Å
17M94.6Very high91.7Very high119 Ų119100.8 Ų100.859%0.58652%0.515SS*.Hα-helixtrans-63.4-42176-72.9-177.671.700112.5L13 L14 T15 L20 F21L13-M17 WeakPolarHBondContact O-CG 3.44Å; L13-M17 PolarHBondContact O-N 3.23Å; L14-M17 PolarHBondContact O-N 2.9Å; T15-M17 VanDerWaalsContact C-N 3.32Å; T15-M17 PolarHBondContact O-N 3.43Å; M17-L20 PolarHBondContact O-N 2.89Å; M17-F21 VanDerWaalsContact O-CB 3.28Å; M17-F21 WeakPolarHBondContact O-CB 3.36Å; M17-F21 PolarHBondContact O-N 3.4Å
18I95.6Very high92.1Very high88 Ų8897.5 Ų97.545%0.45151%0.509SS..Hα-helixtrans-63.7-45.8176.8-69166000110.5L14 T15 F21 I22L14-I18 HydrophobicContact CG-CD1 4.02Å; L14-I18 VanDerWaalsContact O-CG1 3.3Å; L14-I18 WeakPolarHBondContact O-CG1 3.48Å; L14-I18 PolarHBondContact O-N 3.39Å; T15-I18 PolarHBondContact O-N 3.5Å; I18-F21 PolarHBondContact O-N 2.9Å; I18-I22 HydrophobicContact CG2-CD1 3.84Å; I18-I22 HydrophobicContact CG2-CG1 4.49Å; I18-I22 VanDerWaalsContact O-CG1 3.32Å; I18-I22 WeakPolarHBondContact O-CG1 3.31Å; I18-I22 PolarHBondContact O-N 3.5Å
19V96.1Very high92.5Very high89 Ų8995.9 Ų95.954%0.53950%0.504SS..Hα-helixtrans-62.3-45.4177.9171.90000110.9T15 T16 F21 I22 F23T15-V19 HydrophobicContact CG2-CG2 4.4Å; T15-V19 VanDerWaalsContact O-CG2 3.31Å; T15-V19 WeakPolarHBondContact O-CG2 3.34Å; T15-V19 PolarHBondContact O-N 2.82Å; T16-V19 PolarHBondContact O-N 2.82Å; V19-F21 VanDerWaalsContact C-N 3.32Å; V19-F21 PolarHBondContact O-N 3.25Å; V19-I22 PolarHBondContact O-N 3.3Å; V19-F23 WeakPolarHBondContact O-CB 2.91Å; V19-F23 PolarHBondContact O-N 2.89Å
20L94.2Very high92.5Very high99 Ų9996 Ų9652%0.51850%0.504SS..Hα-helixtrans-60.6-42.4175.3-76.2169.8000111.6T16 M17 F23 V24T16-L20 HydrophobicContact CG2-CD1 3.93Å; T16-L20 HydrophobicContact CG2-CG 4.37Å; T16-L20 WeakPolarHBondContact O-CB 3.41Å; T16-L20 VanDerWaalsContact O-CG 3.26Å; T16-L20 WeakPolarHBondContact O-CG 3.39Å; T16-L20 PolarHBondContact O-N 3.21Å; M17-L20 PolarHBondContact O-N 2.89Å; L20-F23 PolarHBondContact O-N 3.13Å; L20-V24 VanDerWaalsContact O-CG2 3.29Å; L20-V24 WeakPolarHBondContact O-CG2 3.35Å; L20-V24 PolarHBondContact O-N 3.12Å
21F95.6Very high92.1Very high135 Ų13594.6 Ų94.659%0.59250%0.503SS*.Hα-helixtrans-62.5-47177.8178.8-100.4000111.9M17 I18 V19 F23 V24 L25M17-F21 VanDerWaalsContact O-CB 3.28Å; M17-F21 WeakPolarHBondContact O-CB 3.36Å; M17-F21 PolarHBondContact O-N 3.4Å; I18-F21 PolarHBondContact O-N 2.9Å; V19-F21 VanDerWaalsContact C-N 3.32Å; V19-F21 PolarHBondContact O-N 3.25Å; F21-F23 VanDerWaalsContact C-N 3.3Å; F21-F23 PolarHBondContact O-N 3.19Å; F21-V24 PolarHBondContact O-N 2.92Å; F21-L25 HydrophobicContact CE1-CD2 4.32Å; F21-L25 WeakPolarHBondContact O-CB 3.46Å; F21-L25 PolarHBondContact O-N 3.24Å
22I96.2Very high91.8Very high103 Ų10392.7 Ų92.753%0.52850%0.504SS..Hα-helixtrans-60.5-42.9176.5-67.6167000110.4I18 V19 L25 S26I18-I22 HydrophobicContact CG2-CD1 3.84Å; I18-I22 HydrophobicContact CG2-CG1 4.49Å; I18-I22 VanDerWaalsContact O-CG1 3.32Å; I18-I22 WeakPolarHBondContact O-CG1 3.31Å; I18-I22 PolarHBondContact O-N 3.5Å; V19-I22 PolarHBondContact O-N 3.3Å; I22-L25 PolarHBondContact O-N 2.86Å; I22-S26 VanDerWaalsContact O-CB 3.27Å; I22-S26 WeakPolarHBondContact O-CB 3.26Å; I22-S26 PolarHBondContact O-N 3.08Å
23F95.1Very high91.5Very high153 Ų15395.7 Ų95.767%0.67151%0.513SS*.Hα-helixtrans-61.4-48.4177.4177.7-99.3000112.1V19 L20 F21 L25 S26 G27V19-F23 WeakPolarHBondContact O-CB 2.91Å; V19-F23 PolarHBondContact O-N 2.89Å; L20-F23 PolarHBondContact O-N 3.13Å; F21-F23 VanDerWaalsContact C-N 3.3Å; F21-F23 PolarHBondContact O-N 3.19Å; F23-L25 PolarHBondContact O-N 3.45Å; F23-S26 PolarHBondContact O-N 2.87Å; F23-G27 PolarHBondContact O-N 3.18Å
24V94.3Very high91Very high95 Ų9594 Ų9458%0.57650%0.504SS*.Hα-helixtrans-62.2-44177.8170.90000111L20 F21 G27 A28L20-V24 VanDerWaalsContact O-CG2 3.29Å; L20-V24 WeakPolarHBondContact O-CG2 3.35Å; L20-V24 PolarHBondContact O-N 3.12Å; F21-V24 PolarHBondContact O-N 2.92Å; V24-G27 PolarHBondContact O-N 2.83Å; V24-A28 WeakPolarHBondContact O-CB 3.32Å; V24-A28 PolarHBondContact O-N 2.78Å
25L94.7Very high90.3Very high87 Ų8792.2 Ų92.246%0.45550%0.504SS..Hα-helixtrans-64.1-43.6178.6-173.367.9000111.6F21 I22 F23 A28 I29F21-L25 HydrophobicContact CE1-CD2 4.32Å; F21-L25 WeakPolarHBondContact O-CB 3.46Å; F21-L25 PolarHBondContact O-N 3.24Å; I22-L25 PolarHBondContact O-N 2.86Å; F23-L25 PolarHBondContact O-N 3.45Å; L25-A28 PolarHBondContact O-N 3.46Å; L25-I29 HydrophobicContact CG-CD1 4.14Å; L25-I29 VanDerWaalsContact O-CG1 3.31Å; L25-I29 WeakPolarHBondContact O-CG1 3.28Å; L25-I29 PolarHBondContact O-N 3.26Å
26S94Very high89.8Confident75 Ų7595.1 Ų95.152%0.52451%0.51SS..Hα-helixtrans-61.2-44.5175.6178.70000111.5I22 F23 A28 I29 F30I22-S26 VanDerWaalsContact O-CB 3.27Å; I22-S26 WeakPolarHBondContact O-CB 3.26Å; I22-S26 PolarHBondContact O-N 3.08Å; F23-S26 PolarHBondContact O-N 2.87Å; S26-A28 PolarHBondContact O-N 2.86Å; S26-I29 PolarHBondContact O-N 2.94Å; S26-F30 WeakPolarHBondContact O-CB 3.39Å; S26-F30 PolarHBondContact O-N 3.37Å
27G87.7Confident89.4Confident31 Ų3193.7 Ų93.732%0.3251%0.511SS..Hα-helixtrans-61-42.3174.700000112.7F23 V24 F30 L31F23-G27 PolarHBondContact O-N 3.18Å; V24-G27 PolarHBondContact O-N 2.83Å; G27-F30 PolarHBondContact O-N 2.92Å; G27-L31 WeakPolarHBondContact O-CG 3.46Å; G27-L31 PolarHBondContact O-N 3.2Å
28A86.7Confident88.9Confident48 Ų4890.5 Ų90.540%0.39750%0.496SS..Hα-helixtrans-64-42.8177.600000112.7V24 L25 S26 L31 T32V24-A28 WeakPolarHBondContact O-CB 3.32Å; V24-A28 PolarHBondContact O-N 2.78Å; L25-A28 PolarHBondContact O-N 3.46Å; S26-A28 PolarHBondContact O-N 2.86Å; A28-L31 PolarHBondContact O-N 2.96Å; A28-T32 PolarHBondContact O-N 3.33Å; A28-T32 PolarHBondContact O-OG1 2.88Å
29I90Very high88.4Confident86 Ų8692.6 Ų92.644%0.44150%0.499SS..Hα-helixtrans-62.4-45.9175.5-69.2166000110.2L25 S26 L31 T32 F33L25-I29 HydrophobicContact CG-CD1 4.14Å; L25-I29 VanDerWaalsContact O-CG1 3.31Å; L25-I29 WeakPolarHBondContact O-CG1 3.28Å; L25-I29 PolarHBondContact O-N 3.26Å; S26-I29 PolarHBondContact O-N 2.94Å; I29-L31 PolarHBondContact O-N 3.45Å; I29-T32 WeakPolarHBondContact O-CB 3.42Å; I29-T32 PolarHBondContact O-N 3.45Å; I29-F33 HydrophobicContact CG2-CD2 3.76Å; I29-F33 HydrophobicContact CG2-CE2 3.5Å; I29-F33 VanDerWaalsContact O-CD2 3.3Å; I29-F33 WeakPolarHBondContact O-CD2 3.43Å; I29-F33 PolarHBondContact O-N 3.35Å
30F85.4Confident87.9Confident131 Ų13189.8 Ų89.858%0.57549%0.489SS*.Hα-helixtrans-58.7-47176.7175.3-101.1000112.1S26 G27 T32 F33 L34S26-F30 WeakPolarHBondContact O-CB 3.39Å; S26-F30 PolarHBondContact O-N 3.37Å; G27-F30 PolarHBondContact O-N 2.92Å; F30-T32 VanDerWaalsContact C-N 3.25Å; F30-T32 PolarHBondContact O-N 2.89Å; F30-F33 PolarHBondContact O-N 2.99Å; F30-L34 HydrophobicContact CE1-CD1 4.1Å; F30-L34 HydrophobicContact CZ-CD1 4.12Å; F30-L34 WeakPolarHBondContact O-CB 3.42Å; F30-L34 PolarHBondContact O-N 3.3Å
31L81.3Confident87.7Confident103 Ų10387.9 Ų87.954%0.53948%0.478SS..Hα-helixtrans-62.2-33.4177.5-72.6173.5000112.5G27 A28 I29 L34 G35G27-L31 WeakPolarHBondContact O-CG 3.46Å; G27-L31 PolarHBondContact O-N 3.2Å; A28-L31 PolarHBondContact O-N 2.96Å; I29-L31 PolarHBondContact O-N 3.45Å; L31-L34 PolarHBondContact O-N 3.47Å; L31-G35 PolarHBondContact O-N 2.89Å
32T83.1Confident87.4Confident81 Ų8182.5 Ų82.550%0.49746%0.458SS..Hα-helixtrans-66.8-46.8175.2-60.40000111.1A28 I29 F30 L34 G35 F36A28-T32 PolarHBondContact O-N 3.33Å; A28-T32 PolarHBondContact O-OG1 2.88Å; I29-T32 WeakPolarHBondContact O-CB 3.42Å; I29-T32 PolarHBondContact O-N 3.45Å; F30-T32 VanDerWaalsContact C-N 3.25Å; F30-T32 PolarHBondContact O-N 2.89Å; T32-L34 VanDerWaalsContact C-N 3.33Å; T32-L34 PolarHBondContact O-N 3.04Å; T32-G35 PolarHBondContact O-N 3.49Å; T32-F36 HydrophobicContact CG2-CD2 3.95Å; T32-F36 HydrophobicContact CG2-CE2 3.75Å; T32-F36 VanDerWaalsContact O-CD2 3.28Å; T32-F36 WeakPolarHBondContact O-CD2 3.4Å; T32-F36 PolarHBondContact O-N 3.14Å
33F84.3Confident87Confident148 Ų14884.2 Ų84.265%0.64946%0.457SS*.Hα-helixtrans-62.2-40.2175.1-78.6-62.2000112.7I29 F30 G35 F36 G37I29-F33 HydrophobicContact CG2-CD2 3.76Å; I29-F33 HydrophobicContact CG2-CE2 3.5Å; I29-F33 VanDerWaalsContact O-CD2 3.3Å; I29-F33 WeakPolarHBondContact O-CD2 3.43Å; I29-F33 PolarHBondContact O-N 3.35Å; F30-F33 PolarHBondContact O-N 2.99Å; F33-G35 VanDerWaalsContact C-N 3.33Å; F33-F36 PolarHBondContact O-N 3.34Å; F33-G37 PolarHBondContact O-N 2.9Å
34L82Confident86.9Confident71 Ų7181.3 Ų81.337%0.37245%0.448SS..Hα-helixtrans-59.6-46.7173.9-173.3129.2000110.4F30 L31 T32 F36 G37 L38 I70F30-L34 HydrophobicContact CE1-CD1 4.1Å; F30-L34 HydrophobicContact CZ-CD1 4.12Å; F30-L34 WeakPolarHBondContact O-CB 3.42Å; F30-L34 PolarHBondContact O-N 3.3Å; L31-L34 PolarHBondContact O-N 3.47Å; T32-L34 VanDerWaalsContact C-N 3.33Å; T32-L34 PolarHBondContact O-N 3.04Å; L34-F36 VanDerWaalsContact C-N 3.34Å; L34-F36 PolarHBondContact O-N 3.36Å; L34-G37 PolarHBondContact O-N 2.74Å; L34-L38 HydrophobicContact CD2-CD1 3.34Å; L34-L38 HydrophobicContact CG-CD1 3.78Å; L34-L38 VanDerWaalsContact O-CD1 3.27Å; L34-L38 WeakPolarHBondContact O-CD1 3.29Å; L34-L38 WeakPolarHBondContact O-CG 3.5Å; L34-L38 PolarHBondContact O-N 3.43Å; L34-I70 HydrophobicContact CD2-CG2 4.15Å
35G79.9Confident86.9Confident36 Ų3677.1 Ų77.137%0.37142%0.423SS..Hα-helixtrans-56.9-42.317400000113.4L31 T32 F33 L38 Y39L31-G35 PolarHBondContact O-N 2.89Å; T32-G35 PolarHBondContact O-N 3.49Å; F33-G35 VanDerWaalsContact C-N 3.33Å; G35-L38 PolarHBondContact O-N 3.43Å; G35-Y39 WeakPolarHBondContact O-CB 3.27Å; G35-Y39 PolarHBondContact O-N 3.37Å
36F82.6Confident86.7Confident140 Ų14076.2 Ų76.261%0.61442%0.417SS*.Hα-helixtrans-63.1-44.9174-86.1-69.5000112.7T32 F33 L34 L38 Y39 G40T32-F36 HydrophobicContact CG2-CD2 3.95Å; T32-F36 HydrophobicContact CG2-CE2 3.75Å; T32-F36 VanDerWaalsContact O-CD2 3.28Å; T32-F36 WeakPolarHBondContact O-CD2 3.4Å; T32-F36 PolarHBondContact O-N 3.14Å; F33-F36 PolarHBondContact O-N 3.34Å; L34-F36 VanDerWaalsContact C-N 3.34Å; L34-F36 PolarHBondContact O-N 3.36Å; F36-L38 VanDerWaalsContact C-N 3.27Å; F36-L38 PolarHBondContact O-N 3.33Å; F36-Y39 PolarHBondContact O-N 3.07Å; F36-G40 PolarHBondContact O-N 3.35Å
37G84Confident86.7Confident50 Ų5081.5 Ų81.552%0.51543%0.427SS..Hα-helixtrans-59.4-40.5176.300000112F33 L34 G40 L41F33-G37 PolarHBondContact O-N 2.9Å; L34-G37 PolarHBondContact O-N 2.74Å; G37-G40 PolarHBondContact O-N 3.27Å; G37-L41 WeakPolarHBondContact O-CB 3.32Å; G37-L41 PolarHBondContact O-N 2.85Å
38L84.1Confident87Confident51 Ų5186.2 Ų86.227%0.26744%0.439SS..Hα-helixtrans-73.3-35.3179.2-71.1155.6000112.9L34 G35 F36 G40 L41 S42 I70L34-L38 HydrophobicContact CD2-CD1 3.34Å; L34-L38 HydrophobicContact CG-CD1 3.78Å; L34-L38 VanDerWaalsContact O-CD1 3.27Å; L34-L38 WeakPolarHBondContact O-CD1 3.29Å; L34-L38 WeakPolarHBondContact O-CG 3.5Å; L34-L38 PolarHBondContact O-N 3.43Å; G35-L38 PolarHBondContact O-N 3.43Å; F36-L38 VanDerWaalsContact C-N 3.27Å; F36-L38 PolarHBondContact O-N 3.33Å; L38-G40 VanDerWaalsContact C-N 3.33Å; L38-L41 HydrophobicContact CD2-CD2 4.37Å; L38-L41 PolarHBondContact O-N 2.87Å; L38-S42 PolarHBondContact O-N 2.92Å; L38-I70 HydrophobicContact CB-CD1 4.03Å; L38-I70 HydrophobicContact CD1-CB 4.34Å; L38-I70 HydrophobicContact CD1-CD1 3.51Å; L38-I70 HydrophobicContact CD1-CG1 3.98Å; L38-I70 HydrophobicContact CD1-CG2 3.61Å; L38-I70 HydrophobicContact CD2-CD1 4.04Å; L38-I70 HydrophobicContact CD2-CG1 4.11Å; L38-I70 HydrophobicContact CG-CD1 4.06Å
39Y85.2Confident87.4Confident132 Ų13295 Ų9552%0.51846%0.462SS..Hα-helixtrans-63.3-40.6170.1179.7-99.8000111.6G35 F36 S42 R43G35-Y39 WeakPolarHBondContact O-CB 3.27Å; G35-Y39 PolarHBondContact O-N 3.37Å; F36-Y39 PolarHBondContact O-N 3.07Å; Y39-S42 PolarHBondContact O-N 2.88Å; Y39-S42 PolarHBondContact O-OG 2.84Å; Y39-R43 HydrophobicContact CE1-CG 4.34Å; Y39-R43 WeakPolarHBondContact O-CG 3.42Å; Y39-R43 PolarHBondContact O-N 3.31Å; Y39-R43 PolarHBondContact OH-NE 3.28Å; Y39-R43 PolarHBondContact OH-NH2 2.97Å
40G86.2Confident87.6Confident31 Ų3193.2 Ų93.232%0.3245%0.453SS..Hα-helixtrans-61.6-46.5171.900000111.8F36 G37 L38 S42 R43 I44F36-G40 PolarHBondContact O-N 3.35Å; G37-G40 PolarHBondContact O-N 3.27Å; L38-G40 VanDerWaalsContact C-N 3.33Å; G40-S42 PolarHBondContact O-N 2.89Å; G40-R43 PolarHBondContact O-N 3.48Å; G40-I44 WeakPolarHBondContact O-CG1 3.14Å; G40-I44 PolarHBondContact O-N 2.92Å
41L89.1Confident87.8Confident58 Ų5887.2 Ų87.230%0.30443%0.428SS..Hα-helixtrans-59-44.2177.7-176.264.8000111.8G37 L38 R43 I44 L45 I135G37-L41 WeakPolarHBondContact O-CB 3.32Å; G37-L41 PolarHBondContact O-N 2.85Å; L38-L41 HydrophobicContact CD2-CD2 4.37Å; L38-L41 PolarHBondContact O-N 2.87Å; L41-R43 VanDerWaalsContact C-N 3.31Å; L41-R43 PolarHBondContact O-N 3.37Å; L41-I44 PolarHBondContact O-N 3.48Å; L41-L45 HydrophobicContact CD1-CG 4.49Å; L41-L45 HydrophobicContact CG-CD1 4.1Å; L41-L45 HydrophobicContact CG-CG 4.44Å; L41-L45 VanDerWaalsContact O-CG 3.3Å; L41-L45 WeakPolarHBondContact O-CG 3.28Å; L41-L45 PolarHBondContact O-N 3.49Å; L41-I135 HydrophobicContact CD2-CG2 4.16Å
42S88.6Confident88.3Confident23 Ų2386.7 Ų86.716%0.16143%0.426CS..Hα-helixtrans-62.5-38.6179.170.80000112L38 Y39 G40 L45 I46L38-S42 PolarHBondContact O-N 2.92Å; Y39-S42 PolarHBondContact O-N 2.88Å; Y39-S42 PolarHBondContact O-OG 2.84Å; G40-S42 PolarHBondContact O-N 2.89Å; S42-L45 PolarHBondContact O-N 3.44Å; S42-I46 WeakPolarHBondContact O-CD1 3.42Å; S42-I46 VanDerWaalsContact O-CG1 3.23Å; S42-I46 WeakPolarHBondContact O-CG1 3.21Å; S42-I46 PolarHBondContact O-N 3.25Å
43R89.6Confident88.7Confident138 Ų13885.2 Ų85.252%0.52141%0.413SS..Hα-helixtrans-65.6-39.9174.7-66.8-60.6-173.5-176.80.3112.8Y39 G40 L41 I46 Y47Y39-R43 HydrophobicContact CE1-CG 4.34Å; Y39-R43 WeakPolarHBondContact O-CG 3.42Å; Y39-R43 PolarHBondContact O-N 3.31Å; Y39-R43 PolarHBondContact OH-NE 3.28Å; Y39-R43 PolarHBondContact OH-NH2 2.97Å; G40-R43 PolarHBondContact O-N 3.48Å; L41-R43 VanDerWaalsContact C-N 3.31Å; L41-R43 PolarHBondContact O-N 3.37Å; R43-I46 PolarHBondContact O-N 2.97Å; R43-Y47 VanDerWaalsContact O-CB 3.28Å; R43-Y47 WeakPolarHBondContact O-CB 3.34Å; R43-Y47 PolarHBondContact O-N 3.44Å
44I92.3Very high89.1Confident92 Ų9282.5 Ų82.547%0.47241%0.408SS..Hα-helixtrans-62-46.5174.7-68.1167.6000109.9G40 L41 I46 Y47 F48G40-I44 WeakPolarHBondContact O-CG1 3.14Å; G40-I44 PolarHBondContact O-N 2.92Å; L41-I44 PolarHBondContact O-N 3.48Å; I44-I46 PolarHBondContact O-N 2.73Å; I44-Y47 PolarHBondContact O-N 3.33Å; I44-F48 HydrophobicContact CG2-CD2 3.78Å; I44-F48 HydrophobicContact CG2-CE2 3.94Å; I44-F48 VanDerWaalsContact O-CD2 3.29Å; I44-F48 WeakPolarHBondContact O-CD2 3.43Å; I44-F48 PolarHBondContact O-N 3.29Å
45L93.4Very high89.4Confident8 Ų881.2 Ų81.24%0.04240%0.399CS..Hα-helixtrans-61.3-44.9179.3-69.4172.2000112.2L41 S42 F48 R49 L50 G51 F53 I127 V131 I135L41-L45 HydrophobicContact CD1-CG 4.49Å; L41-L45 HydrophobicContact CG-CD1 4.1Å; L41-L45 HydrophobicContact CG-CG 4.44Å; L41-L45 VanDerWaalsContact O-CG 3.3Å; L41-L45 WeakPolarHBondContact O-CG 3.28Å; L41-L45 PolarHBondContact O-N 3.49Å; S42-L45 PolarHBondContact O-N 3.44Å; L45-F48 PolarHBondContact O-N 3.32Å; L45-R49 PolarHBondContact O-N 3.37Å; L45-R49 VanDerWaalsContact O-N 3.16Å; L45-L50 HydrophobicContact CD2-CB 3.74Å; L45-L50 HydrophobicContact CD2-CD1 4.27Å; L45-L50 PolarHBondContact O-N 2.68Å; L45-G51 PolarHBondContact O-N 2.78Å; L45-F53 HydrophobicContact CB-CE2 4.07Å; L45-F53 HydrophobicContact CD1-CE2 4.28Å; L45-F53 HydrophobicContact CD1-CZ 3.91Å; L45-I127 HydrophobicContact CD1-CD1 4.25Å; L45-V131 HydrophobicContact CD2-CG1 3.63Å; L45-I135 HydrophobicContact CD1-CD1 3.98Å; L45-I135 HydrophobicContact CD2-CD1 4.04Å
46I91.9Very high89.8Confident68 Ų6886.3 Ų86.335%0.34942%0.418SS..Hα-helixtrans-62.4-45.5175.7-67163.4000110.6S42 R43 I44 F48 R49 F53S42-I46 WeakPolarHBondContact O-CD1 3.42Å; S42-I46 VanDerWaalsContact O-CG1 3.23Å; S42-I46 WeakPolarHBondContact O-CG1 3.21Å; S42-I46 PolarHBondContact O-N 3.25Å; R43-I46 PolarHBondContact O-N 2.97Å; I44-I46 PolarHBondContact O-N 2.73Å; I46-F48 VanDerWaalsContact C-N 3.32Å; I46-F48 PolarHBondContact O-N 3.48Å; I46-R49 PolarHBondContact O-N 3.35Å; I46-F53 HydrophobicContact CD1-CD2 3.77Å; I46-F53 HydrophobicContact CD1-CE2 4.49Å; I46-F53 HydrophobicContact CG1-CD2 3.66Å; I46-F53 HydrophobicContact CG1-CE2 4.12Å
47Y94.1Very high90.2Very high185 Ų18587.7 Ų87.773%0.72542%0.419SS*.Hα-helixtrans-59.2-43-177.8179.6-97.9000112.2R43 I44 R49R43-Y47 VanDerWaalsContact O-CB 3.28Å; R43-Y47 WeakPolarHBondContact O-CB 3.34Å; R43-Y47 PolarHBondContact O-N 3.44Å; I44-Y47 PolarHBondContact O-N 3.33Å; Y47-R49 VanDerWaalsContact C-N 3.29Å; Y47-R49 PolarHBondContact O-N 3.03Å
48F94.5Very high90.5Very high131 Ų13187.9 Ų87.958%0.57541%0.412SS*.THydrogen-bonded Turntrans-85.85.7178-70-68.5000114.1I44 L45 I46 L50I44-F48 HydrophobicContact CG2-CD2 3.78Å; I44-F48 HydrophobicContact CG2-CE2 3.94Å; I44-F48 VanDerWaalsContact O-CD2 3.29Å; I44-F48 WeakPolarHBondContact O-CD2 3.43Å; I44-F48 PolarHBondContact O-N 3.29Å; L45-F48 PolarHBondContact O-N 3.32Å; I46-F48 VanDerWaalsContact C-N 3.32Å; I46-F48 PolarHBondContact O-N 3.48Å; F48-L50 HydrophobicContact CB-CD1 3.77Å; F48-L50 HydrophobicContact CB-CG 3.69Å; F48-L50 PolarHBondContact O-N 2.58Å
49R93.3Very high90.4Very high231 Ų23192 Ų9287%0.87243%0.432SS*.THydrogen-bonded Turntrans54.735.2-175-54.9-179.3177.6-179-2.2112.9L45 I46 Y47L45-R49 PolarHBondContact O-N 3.37Å; L45-R49 VanDerWaalsContact O-N 3.16Å; I46-R49 PolarHBondContact O-N 3.35Å; Y47-R49 VanDerWaalsContact C-N 3.29Å; Y47-R49 PolarHBondContact O-N 3.03Å
50L94Very high90.5Very high49 Ų4993.4 Ų93.426%0.25744%0.437SS..SBendtrans-94.6-9.8178.2-62179.3000112.6L45 F48 W130 V131L45-L50 HydrophobicContact CD2-CB 3.74Å; L45-L50 HydrophobicContact CD2-CD1 4.27Å; L45-L50 PolarHBondContact O-N 2.68Å; F48-L50 HydrophobicContact CB-CD1 3.77Å; F48-L50 HydrophobicContact CB-CG 3.69Å; F48-L50 PolarHBondContact O-N 2.58Å; L50-W130 HydrophobicContact CD2-CH2 3.47Å; L50-W130 VanDerWaalsContact CD2-CH2 3.47Å; L50-W130 HydrophobicContact CD2-CZ2 3.55Å; L50-V131 HydrophobicContact CB-CG1 4.06Å; L50-V131 HydrophobicContact CB-CG2 4.05Å; L50-V131 HydrophobicContact CD2-CG2 4.06Å
51G90.7Very high90.6Very high5 Ų595.1 Ų95.15%0.05244%0.439CS..EExtended strand (participates in β ladder)trans-170.5151.5171.400000113.4L45 N126L45-G51 PolarHBondContact O-N 2.78Å; G51-N126 CarbonylContact C-O 3.58Å; G51-N126 WeakPolarHBondContact CA-O 3.43Å
52D91.8Very high90.5Very high92 Ų9293.9 Ų93.949%0.49243%0.433SS..EExtended strand (participates in β ladder)trans-113.5134.1178.7-64-46000110.6T54 I125 N126D52-T54 HydrophobicContact CB-CG2 4.42Å; D52-I125 WeakPolarHBondContact O-CA 3.26Å; D52-N126 HydrophobicContact CB-CB 4.26Å; D52-N126 PolarHBondContact N-O 3.17Å; D52-N126 PolarHBondContact O-N 3.07Å
53F91.8Very high90.3Very high50 Ų5098.5 Ų98.522%0.21946%0.455CS..EExtended strand (participates in β ladder)trans-123.293.5179.2-59.1-92.6000108.1L45 I46 Y66 Y124 I125 I127L45-F53 HydrophobicContact CB-CE2 4.07Å; L45-F53 HydrophobicContact CD1-CE2 4.28Å; L45-F53 HydrophobicContact CD1-CZ 3.91Å; I46-F53 HydrophobicContact CD1-CD2 3.77Å; I46-F53 HydrophobicContact CD1-CE2 4.49Å; I46-F53 HydrophobicContact CG1-CD2 3.66Å; I46-F53 HydrophobicContact CG1-CE2 4.12Å; F53-Y66 HydrophobicContact CB-CE1 4.06Å; F53-Y66 HydrophobicContact CD1-CD1 4.19Å; F53-Y66 AromaticContact CD1-CE1 3.76Å; F53-Y66 HydrophobicContact CD1-CE1 3.76Å; F53-Y66 HydrophobicContact CG-CE1 4.39Å; F53-Y124 WeakPolarHBondContact CA-O 3.4Å; F53-I125 HydrophobicContact CD1-CG1 4.21Å; F53-I125 HydrophobicContact CD1-CG2 4.19Å; F53-I125 HydrophobicContact CE1-CG2 3.92Å; F53-I127 HydrophobicContact CE1-CD1 4.17Å; F53-I127 HydrophobicContact CZ-CD1 3.88Å; F53-I127 HydrophobicContact CZ-CG1 4.42Å
54T91.4Very high90.2Very high91 Ų9197.7 Ų97.756%0.55846%0.46SS*.  trans-98.5-4.1-168.3580000113.5D52 N56 Y124D52-T54 HydrophobicContact CB-CG2 4.42Å; T54-N56 PolarHBondContact O-N 2.81Å; T54-N56 VanDerWaalsContact O-N 3.15Å; T54-Y124 PolarHBondContact N-O 3.05Å; T54-Y124 WeakPolarHBondContact OG1-CA 3.49Å; T54-Y124 PolarHBondContact OG1-O 3.16Å
55Y89.6Confident90.1Very high44 Ų4495.1 Ų95.117%0.17345%0.445CS..  trans-73.7109.4176-165.8-107.7000109.5R57 D61 N62 Y65 Y66 Y124Y55-R57 HydrophobicContact CD2-CG 4.42Å; Y55-R57 HydrophobicContact CE1-CB 3.94Å; Y55-R57 HydrophobicContact CE1-CG 3.99Å; Y55-R57 HydrophobicContact CE2-CG 3.81Å; Y55-D61 HydrophobicContact CE1-CB 3.93Å; Y55-D61 WeakPolarHBondContact CE1-O 3.42Å; Y55-N62 WeakPolarHBondContact CD1-OD1 3.43Å; Y55-N62 WeakPolarHBondContact CE1-OD1 3.31Å; Y55-N62 PolarHBondContact O-OD1 3.25Å; Y55-Y65 AromaticContact CD1-CD1 3.92Å; Y55-Y65 HydrophobicContact CD1-CD1 3.92Å; Y55-Y65 AromaticContact CD1-CG 3.8Å; Y55-Y65 HydrophobicContact CD1-CG 3.8Å; Y55-Y65 HydrophobicContact CD2-CD1 4.41Å; Y55-Y65 HydrophobicContact CD2-CD2 4.49Å; Y55-Y65 HydrophobicContact CD2-CG 4.34Å; Y55-Y65 HydrophobicContact CE1-CG 4.01Å; Y55-Y65 HydrophobicContact CE2-CD2 4.43Å; Y55-Y65 AromaticContact CG-CD1 3.81Å; Y55-Y65 HydrophobicContact CG-CD1 3.81Å; Y55-Y65 HydrophobicContact CG-CE1 4.27Å; Y55-Y65 AromaticContact CG-CG 3.96Å; Y55-Y65 HydrophobicContact CG-CG 3.96Å; Y55-Y66 WeakPolarHBondContact CA-OH 3.46Å; Y55-Y66 VanDerWaalsContact CB-OH 3.31Å; Y55-Y66 WeakPolarHBondContact CB-OH 3.36Å; Y55-Y66 PolarHBondContact N-OH 3.44Å; Y55-Y66 VanDerWaalsContact N-OH 3.14Å; Y55-Y66 PolarHBondContact O-OH 3.29Å; Y55-Y124 HydrophobicContact CD2-CD1 4.36Å; Y55-Y124 AromaticContact CD2-CD2 3.37Å; Y55-Y124 HydrophobicContact CD2-CD2 3.37Å; Y55-Y124 AromaticContact CD2-CE2 3.58Å; Y55-Y124 HydrophobicContact CD2-CE2 3.58Å; Y55-Y124 AromaticContact CD2-CG 3.8Å; Y55-Y124 HydrophobicContact CD2-CG 3.8Å; Y55-Y124 HydrophobicContact CE2-CD2 4.12Å; Y55-Y124 AromaticContact CE2-CE2 3.95Å; Y55-Y124 HydrophobicContact CE2-CE2 3.95Å; Y55-Y124 HydrophobicContact CG-CD2 4.18Å; Y55-Y124 HydrophobicContact CG-CG 4.32Å
56N88.1Confident89.8Confident143 Ų14397.2 Ų97.277%0.76545%0.453SS*.  trans-131.775.6-176.1-171.325000110.4T54T54-N56 PolarHBondContact O-N 2.81Å; T54-N56 VanDerWaalsContact O-N 3.15Å
57R90.9Very high89.6Confident169 Ų16995 Ų9564%0.63845%0.446SS*.SBendtrans-111.2-156.5174.2-66.1-63.1-170.21730.8109.5Y55 D61 N62Y55-R57 HydrophobicContact CD2-CG 4.42Å; Y55-R57 HydrophobicContact CE1-CB 3.94Å; Y55-R57 HydrophobicContact CE1-CG 3.99Å; Y55-R57 HydrophobicContact CE2-CG 3.81Å; R57-D61 HydrophobicContact CB-CB 3.63Å; R57-N62 PolarHBondContact N-OD1 3.37Å; R57-N62 PolarHBondContact O-ND2 3.39Å; R57-N62 VanDerWaalsContact O-ND2 3.09Å
58S89.4Confident89.4Confident55 Ų5588.3 Ų88.339%0.38543%0.427SS..  trans-61162.9176.5770000111.4Y60 D61 N62S58-Y60 PolarHBondContact O-N 2.98Å; S58-D61 WeakPolarHBondContact CB-OD2 3.44Å; S58-D61 PolarHBondContact N-OD2 3.49Å; S58-D61 PolarHBondContact O-N 2.9Å; S58-D61 PolarHBondContact OG-N 3.35Å; S58-D61 VanDerWaalsContact OG-N 3.16Å; S58-D61 PolarHBondContact OG-OD2 2.93Å; S58-N62 WeakPolarHBondContact O-CB 3.2Å; S58-N62 PolarHBondContact O-N 3.35Å; S58-N62 PolarHBondContact O-ND2 2.89Å
59M83.6Confident89.2Confident136 Ų13683 Ų8367%0.6740%0.404SS*.Hα-helixtrans-54-42.9175.7-174.5-174.778.300111.9L63M59-L63 WeakPolarHBondContact O-CB 3.44Å; M59-L63 PolarHBondContact O-N 3.25Å
60Y86Confident88.9Confident163 Ų16374.3 Ų74.364%0.63937%0.373SS*.Hα-helixtrans-68.3-42.6-180-69.6-71.8000112.2S58 N62 L63 L64S58-Y60 PolarHBondContact O-N 2.98Å; Y60-N62 VanDerWaalsContact C-N 3.34Å; Y60-N62 PolarHBondContact O-N 2.97Å; Y60-L63 PolarHBondContact O-N 3.28Å; Y60-L64 WeakPolarHBondContact O-CG 3.47Å; Y60-L64 PolarHBondContact O-N 3.27Å
61D88.9Confident88.6Confident66 Ų6676.4 Ų76.435%0.35338%0.384SS..Hα-helixtrans-62.9-44.4177.5-62.2-41.4000110.8Y55 R57 S58 L63 L64 Y65Y55-D61 HydrophobicContact CE1-CB 3.93Å; Y55-D61 WeakPolarHBondContact CE1-O 3.42Å; R57-D61 HydrophobicContact CB-CB 3.63Å; S58-D61 WeakPolarHBondContact CB-OD2 3.44Å; S58-D61 PolarHBondContact N-OD2 3.49Å; S58-D61 PolarHBondContact O-N 2.9Å; S58-D61 PolarHBondContact OG-N 3.35Å; S58-D61 VanDerWaalsContact OG-N 3.16Å; S58-D61 PolarHBondContact OG-OD2 2.93Å; D61-L63 VanDerWaalsContact C-N 3.34Å; D61-L64 PolarHBondContact O-N 3.07Å; D61-Y65 WeakPolarHBondContact O-CB 3.35Å; D61-Y65 PolarHBondContact O-N 3.49Å
62N85.8Confident88.5Confident33 Ų3380.6 Ų80.618%0.17640%0.401CS..Hα-helixtrans-63.7-43.1178.9-65.5-17.1000110.7Y55 R57 S58 Y60 L64 Y65 Y66Y55-N62 WeakPolarHBondContact CD1-OD1 3.43Å; Y55-N62 WeakPolarHBondContact CE1-OD1 3.31Å; Y55-N62 PolarHBondContact O-OD1 3.25Å; R57-N62 PolarHBondContact N-OD1 3.37Å; R57-N62 PolarHBondContact O-ND2 3.39Å; R57-N62 VanDerWaalsContact O-ND2 3.09Å; S58-N62 WeakPolarHBondContact O-CB 3.2Å; S58-N62 PolarHBondContact O-N 3.35Å; S58-N62 PolarHBondContact O-ND2 2.89Å; Y60-N62 VanDerWaalsContact C-N 3.34Å; Y60-N62 PolarHBondContact O-N 2.97Å; N62-L64 VanDerWaalsContact C-N 3.34Å; N62-L64 PolarHBondContact O-N 3.43Å; N62-Y65 PolarHBondContact O-N 3.39Å; N62-Y66 HydrophobicContact CB-CD2 4.12Å; N62-Y66 HydrophobicContact CB-CE2 4.09Å; N62-Y66 WeakPolarHBondContact O-CB 3.35Å; N62-Y66 WeakPolarHBondContact O-CD2 3.45Å; N62-Y66 PolarHBondContact O-N 3.09Å
63L84.7Confident88.5Confident119 Ų11976.2 Ų76.262%0.62338%0.378SS*.Hα-helixtrans-59.9-44.3176.5-178.865.1000111.5M59 Y60 D61 G67M59-L63 WeakPolarHBondContact O-CB 3.44Å; M59-L63 PolarHBondContact O-N 3.25Å; Y60-L63 PolarHBondContact O-N 3.28Å; D61-L63 VanDerWaalsContact C-N 3.34Å; L63-G67 WeakPolarHBondContact O-CA 3.28Å; L63-G67 PolarHBondContact O-N 2.89Å
64L87.2Confident88.3Confident121 Ų12180.6 Ų80.663%0.63439%0.394SS*.Hα-helixtrans-67.1-44.1177.7-72.8172.7000111.9Y60 D61 N62 S68Y60-L64 WeakPolarHBondContact O-CG 3.47Å; Y60-L64 PolarHBondContact O-N 3.27Å; D61-L64 PolarHBondContact O-N 3.07Å; N62-L64 VanDerWaalsContact C-N 3.34Å; N62-L64 PolarHBondContact O-N 3.43Å; L64-S68 WeakPolarHBondContact O-CB 3.34Å; L64-S68 PolarHBondContact O-N 3.3Å; L64-S68 PolarHBondContact O-OG 2.97Å
65Y90.4Very high88.3Confident39 Ų3981.9 Ų81.915%0.15339%0.392CS..Hα-helixtrans-66-56.5-178.4-171.4-97.2000111.7Y55 D61 N62 S68 Y69 Y122 V123 Y124 I125Y55-Y65 AromaticContact CD1-CD1 3.92Å; Y55-Y65 HydrophobicContact CD1-CD1 3.92Å; Y55-Y65 AromaticContact CD1-CG 3.8Å; Y55-Y65 HydrophobicContact CD1-CG 3.8Å; Y55-Y65 HydrophobicContact CD2-CD1 4.41Å; Y55-Y65 HydrophobicContact CD2-CD2 4.49Å; Y55-Y65 HydrophobicContact CD2-CG 4.34Å; Y55-Y65 HydrophobicContact CE1-CG 4.01Å; Y55-Y65 HydrophobicContact CE2-CD2 4.43Å; Y55-Y65 AromaticContact CG-CD1 3.81Å; Y55-Y65 HydrophobicContact CG-CD1 3.81Å; Y55-Y65 HydrophobicContact CG-CE1 4.27Å; Y55-Y65 AromaticContact CG-CG 3.96Å; Y55-Y65 HydrophobicContact CG-CG 3.96Å; D61-Y65 WeakPolarHBondContact O-CB 3.35Å; D61-Y65 PolarHBondContact O-N 3.49Å; N62-Y65 PolarHBondContact O-N 3.39Å; Y65-S68 PolarHBondContact O-N 3.46Å; Y65-S68 PolarHBondContact O-OG 2.91Å; Y65-Y69 PolarHBondContact O-N 2.92Å; Y65-Y122 HydrophobicContact CD1-CD1 4.27Å; Y65-Y122 HydrophobicContact CD2-CD1 4.34Å; Y65-Y122 HydrophobicContact CD2-CE1 4.34Å; Y65-Y122 AromaticContact CE1-CD1 3.72Å; Y65-Y122 HydrophobicContact CE1-CD1 3.72Å; Y65-Y122 HydrophobicContact CE1-CE1 4.49Å; Y65-Y122 AromaticContact CE2-CD1 3.79Å; Y65-Y122 HydrophobicContact CE2-CD1 3.79Å; Y65-Y122 HydrophobicContact CE2-CE1 4.15Å; Y65-Y122 AromaticContact CZ-CD1 3.44Å; Y65-Y122 VanDerWaalsContact CZ-CD1 3.44Å; Y65-Y122 WeakPolarHBondContact O-CE1 3.33Å; Y65-Y122 VanDerWaalsContact OH-CA 3.26Å; Y65-Y122 WeakPolarHBondContact OH-CA 3.47Å; Y65-V123 PolarHBondContact OH-N 3.25Å; Y65-Y124 HydrophobicContact CE1-CD2 4.14Å; Y65-Y124 HydrophobicContact CE1-CG 4.46Å; Y65-Y124 HydrophobicContact CE2-CD2 4.03Å; Y65-Y124 AromaticContact CZ-CD2 3.62Å; Y65-Y124 WeakPolarHBondContact OH-CD2 3.3Å; Y65-Y124 PolarHBondContact OH-N 2.95Å; Y65-Y124 VanDerWaalsContact OH-N 3.17Å; Y65-I125 HydrophobicContact CE1-CD1 4.11Å; Y65-I125 HydrophobicContact CE1-CG1 4.04Å
66Y88.7Confident88.4Confident51 Ų5180.9 Ų80.920%0.239%0.389CS..Hα-helixtrans-69.5-37.3179-61.2-59.7000111.9F53 Y55 N62 S68 Y69 I70 I125F53-Y66 HydrophobicContact CB-CE1 4.06Å; F53-Y66 HydrophobicContact CD1-CD1 4.19Å; F53-Y66 AromaticContact CD1-CE1 3.76Å; F53-Y66 HydrophobicContact CD1-CE1 3.76Å; F53-Y66 HydrophobicContact CG-CE1 4.39Å; Y55-Y66 WeakPolarHBondContact CA-OH 3.46Å; Y55-Y66 VanDerWaalsContact CB-OH 3.31Å; Y55-Y66 WeakPolarHBondContact CB-OH 3.36Å; Y55-Y66 PolarHBondContact N-OH 3.44Å; Y55-Y66 VanDerWaalsContact N-OH 3.14Å; Y55-Y66 PolarHBondContact O-OH 3.29Å; N62-Y66 HydrophobicContact CB-CD2 4.12Å; N62-Y66 HydrophobicContact CB-CE2 4.09Å; N62-Y66 WeakPolarHBondContact O-CB 3.35Å; N62-Y66 WeakPolarHBondContact O-CD2 3.45Å; N62-Y66 PolarHBondContact O-N 3.09Å; Y66-S68 PolarHBondContact O-N 2.91Å; Y66-Y69 WeakPolarHBondContact O-CB 3.35Å; Y66-Y69 PolarHBondContact O-N 3.24Å; Y66-I70 VanDerWaalsContact O-CD1 3.23Å; Y66-I70 WeakPolarHBondContact O-CD1 3.33Å; Y66-I70 WeakPolarHBondContact O-CG1 3.46Å; Y66-I70 PolarHBondContact O-N 3.2Å; Y66-I125 HydrophobicContact CD1-CD1 3.81Å; Y66-I125 HydrophobicContact CD1-CG1 4.05Å; Y66-I125 HydrophobicContact CE1-CD1 4.15Å; Y66-I125 HydrophobicContact CE1-CG1 3.85Å
67G86.9Confident88.6Confident21 Ų2176.4 Ų76.422%0.21637%0.365CS..Hα-helixtrans-61.9-43.8176.400000112.4L63 Y69 I70 I71L63-G67 WeakPolarHBondContact O-CA 3.28Å; L63-G67 PolarHBondContact O-N 2.89Å; G67-Y69 VanDerWaalsContact C-N 3.35Å; G67-Y69 PolarHBondContact O-N 3.08Å; G67-I70 PolarHBondContact O-N 2.89Å; G67-I71 WeakPolarHBondContact O-CB 3.39Å; G67-I71 VanDerWaalsContact O-CG1 3.29Å; G67-I71 WeakPolarHBondContact O-CG1 3.42Å; G67-I71 PolarHBondContact O-N 2.91Å
68S89.8Confident88.5Confident46 Ų4673.3 Ų73.332%0.32236%0.356SS..Hα-helixtrans-64.6-37.5176.962.50000112.5L64 Y65 Y66 I70 I71 F72 Y122L64-S68 WeakPolarHBondContact O-CB 3.34Å; L64-S68 PolarHBondContact O-N 3.3Å; L64-S68 PolarHBondContact O-OG 2.97Å; Y65-S68 PolarHBondContact O-N 3.46Å; Y65-S68 PolarHBondContact O-OG 2.91Å; Y66-S68 PolarHBondContact O-N 2.91Å; S68-I70 VanDerWaalsContact C-N 3.29Å; S68-I70 PolarHBondContact O-N 2.94Å; S68-I71 PolarHBondContact O-N 3.36Å; S68-F72 WeakPolarHBondContact O-CB 3.46Å; S68-F72 PolarHBondContact O-N 3.42Å; S68-Y122 VanDerWaalsContact CB-OH 3.29Å; S68-Y122 WeakPolarHBondContact CB-OH 3.18Å; S68-Y122 PolarHBondContact O-OH 3.45Å; S68-Y122 PolarHBondContact OG-OH 3.31Å
69Y90.9Very high88.7Confident20 Ų2073.1 Ų73.18%0.07836%0.358CS..Hα-helixtrans-54.8-47173.7175-102.4000111.7Y65 Y66 G67 G73 F114 I118 H119 Y122 I125Y65-Y69 PolarHBondContact O-N 2.92Å; Y66-Y69 WeakPolarHBondContact O-CB 3.35Å; Y66-Y69 PolarHBondContact O-N 3.24Å; G67-Y69 VanDerWaalsContact C-N 3.35Å; G67-Y69 PolarHBondContact O-N 3.08Å; Y69-G73 PolarHBondContact O-N 2.96Å; Y69-F114 HydrophobicContact CE1-CE1 4.42Å; Y69-F114 AromaticContact CE1-CZ 3.92Å; Y69-F114 HydrophobicContact CE1-CZ 3.92Å; Y69-F114 HydrophobicContact CE2-CE1 4.37Å; Y69-F114 HydrophobicContact CE2-CZ 4.35Å; Y69-F114 AromaticContact CZ-CE1 3.8Å; Y69-F114 AromaticContact CZ-CZ 3.72Å; Y69-F114 WeakPolarHBondContact OH-CE1 3.24Å; Y69-I118 HydrophobicContact CD2-CG2 3.62Å; Y69-I118 HydrophobicContact CE2-CG2 3.85Å; Y69-I118 HydrophobicContact CG-CG2 4.42Å; Y69-H119 HydrophobicContact CE2-CB 4.43Å; Y69-H119 AromaticContact CE2-ND1 3.98Å; Y69-H119 PolarHBondContact OH-ND1 3.46Å; Y69-Y122 AromaticContact CD2-CD1 3.96Å; Y69-Y122 HydrophobicContact CD2-CD1 3.96Å; Y69-Y122 AromaticContact CD2-CD2 3.72Å; Y69-Y122 HydrophobicContact CD2-CD2 3.72Å; Y69-Y122 HydrophobicContact CD2-CE1 4.43Å; Y69-Y122 HydrophobicContact CD2-CE2 4.16Å; Y69-Y122 AromaticContact CD2-CG 3.6Å; Y69-Y122 HydrophobicContact CD2-CG 3.6Å; Y69-Y122 HydrophobicContact CE2-CG 4.42Å; Y69-Y122 HydrophobicContact CG-CD1 4.34Å; Y69-Y122 HydrophobicContact CG-CG 4.4Å; Y69-Y122 PolarHBondContact N-OH 3.34Å; Y69-I125 HydrophobicContact CD1-CD1 3.83Å; Y69-I125 HydrophobicContact CD2-CD1 3.58Å; Y69-I125 HydrophobicContact CE1-CD1 4.26Å; Y69-I125 HydrophobicContact CE1-CG2 4.49Å; Y69-I125 HydrophobicContact CE2-CD1 4.01Å; Y69-I125 HydrophobicContact CE2-CG2 4.37Å; Y69-I125 HydrophobicContact CG-CD1 3.46Å; Y69-I125 VanDerWaalsContact CG-CD1 3.46Å
70I87.3Confident89.1Confident47 Ų4767.2 Ų67.224%0.24133%0.329CS..Hα-helixtrans-69.8-48.3-178.8-67.3148.4000111.1L34 L38 Y66 G67 S68 F72 G73 Y74L34-I70 HydrophobicContact CD2-CG2 4.15Å; L38-I70 HydrophobicContact CB-CD1 4.03Å; L38-I70 HydrophobicContact CD1-CB 4.34Å; L38-I70 HydrophobicContact CD1-CD1 3.51Å; L38-I70 HydrophobicContact CD1-CG1 3.98Å; L38-I70 HydrophobicContact CD1-CG2 3.61Å; L38-I70 HydrophobicContact CD2-CD1 4.04Å; L38-I70 HydrophobicContact CD2-CG1 4.11Å; L38-I70 HydrophobicContact CG-CD1 4.06Å; Y66-I70 VanDerWaalsContact O-CD1 3.23Å; Y66-I70 WeakPolarHBondContact O-CD1 3.33Å; Y66-I70 WeakPolarHBondContact O-CG1 3.46Å; Y66-I70 PolarHBondContact O-N 3.2Å; G67-I70 PolarHBondContact O-N 2.89Å; S68-I70 VanDerWaalsContact C-N 3.29Å; S68-I70 PolarHBondContact O-N 2.94Å; I70-F72 VanDerWaalsContact C-N 3.32Å; I70-F72 PolarHBondContact O-N 3.25Å; I70-G73 PolarHBondContact O-N 3.49Å; I70-Y74 PolarHBondContact O-N 3.05Å
71I86.6Confident89.3Confident94 Ų9462.3 Ų62.348%0.48231%0.312SS..Hα-helixtrans-60.5-45.8-179-71168.8000110.1G67 S68 G73 Y74 F75G67-I71 WeakPolarHBondContact O-CB 3.39Å; G67-I71 VanDerWaalsContact O-CG1 3.29Å; G67-I71 WeakPolarHBondContact O-CG1 3.42Å; G67-I71 PolarHBondContact O-N 2.91Å; S68-I71 PolarHBondContact O-N 3.36Å; I71-G73 VanDerWaalsContact C-N 3.34Å; I71-Y74 WeakPolarHBondContact O-CB 3.22Å; I71-Y74 PolarHBondContact O-N 3.38Å; I71-F75 HydrophobicContact CG2-CD2 3.87Å; I71-F75 HydrophobicContact CG2-CE2 3.64Å; I71-F75 VanDerWaalsContact O-CD2 3.22Å; I71-F75 WeakPolarHBondContact O-CD2 3.3Å; I71-F75 PolarHBondContact O-N 3.22Å; I71-F75 VanDerWaalsContact O-N 3.08Å
72F89.9Confident89.3Confident93 Ų9365 Ų6541%0.40832%0.323SS..Hα-helixtrans-69-38.1-178.6-164.5-167.7000111.1S68 I70 Y74 F75 I76 I117 I118S68-F72 WeakPolarHBondContact O-CB 3.46Å; S68-F72 PolarHBondContact O-N 3.42Å; I70-F72 VanDerWaalsContact C-N 3.32Å; I70-F72 PolarHBondContact O-N 3.25Å; F72-Y74 PolarHBondContact O-N 3.19Å; F72-F75 PolarHBondContact O-N 2.94Å; F72-I76 HydrophobicContact CE2-CD1 4.38Å; F72-I76 HydrophobicContact CE2-CG1 4.48Å; F72-I76 PolarHBondContact O-N 3.33Å; F72-I117 HydrophobicContact CZ-CG2 4.29Å; F72-I118 HydrophobicContact CB-CD1 3.85Å; F72-I118 HydrophobicContact CD1-CD1 3.16Å; F72-I118 HydrophobicContact CD2-CD1 3.56Å; F72-I118 HydrophobicContact CE1-CD1 3.39Å; F72-I118 HydrophobicContact CE2-CD1 3.78Å; F72-I118 HydrophobicContact CG-CD1 3.23Å; F72-I118 HydrophobicContact CZ-CD1 3.7Å
73G90.5Very high89.6Confident0 Ų067.7 Ų67.70%034%0.337CS..Hα-helixtrans-55.4-45.5168.700000114.1Y69 I70 I71 F75 I76 I77Y69-G73 PolarHBondContact O-N 2.96Å; I70-G73 PolarHBondContact O-N 3.49Å; I71-G73 VanDerWaalsContact C-N 3.34Å; G73-F75 VanDerWaalsContact C-N 3.35Å; G73-F75 PolarHBondContact O-N 3.18Å; G73-I76 PolarHBondContact O-N 3.47Å; G73-I77 WeakPolarHBondContact O-CG1 3.45Å; G73-I77 PolarHBondContact O-N 2.9Å; G73-I77 VanDerWaalsContact O-N 3.09Å
74Y88.6Confident89.9Confident141 Ų14162.7 Ų62.755%0.55331%0.31SS*.Hα-helixtrans-58.9-44.5174.8169.5-96.8000111.9I70 I71 F72 I76 I77 F78I70-Y74 PolarHBondContact O-N 3.05Å; I71-Y74 WeakPolarHBondContact O-CB 3.22Å; I71-Y74 PolarHBondContact O-N 3.38Å; F72-Y74 PolarHBondContact O-N 3.19Å; Y74-I76 VanDerWaalsContact C-N 3.34Å; Y74-I76 PolarHBondContact O-N 3.41Å; Y74-I77 PolarHBondContact O-N 3.22Å; Y74-F78 WeakPolarHBondContact O-CB 3.48Å; Y74-F78 PolarHBondContact O-N 2.98Å
75F91.2Very high89.9Confident118 Ų11859.5 Ų59.552%0.51829%0.293SS..Hα-helixtrans-62.4-38.7177.3-81.7-67.1000112.9I71 F72 G73 F78 A79I71-F75 HydrophobicContact CG2-CD2 3.87Å; I71-F75 HydrophobicContact CG2-CE2 3.64Å; I71-F75 VanDerWaalsContact O-CD2 3.22Å; I71-F75 WeakPolarHBondContact O-CD2 3.3Å; I71-F75 PolarHBondContact O-N 3.22Å; I71-F75 VanDerWaalsContact O-N 3.08Å; F72-F75 PolarHBondContact O-N 2.94Å; G73-F75 VanDerWaalsContact C-N 3.35Å; G73-F75 PolarHBondContact O-N 3.18Å; F75-F78 PolarHBondContact O-N 3.01Å; F75-A79 WeakPolarHBondContact O-CB 3.4Å; F75-A79 PolarHBondContact O-N 2.84Å
76I92Very high89.8Confident23 Ų2363.4 Ų63.412%0.11831%0.309CS..Hα-helixtrans-63-47.7175.2-68.2-62.7000110.9F72 G73 Y74 F78 A79 V80 L113 I117 I118F72-I76 HydrophobicContact CE2-CD1 4.38Å; F72-I76 HydrophobicContact CE2-CG1 4.48Å; F72-I76 PolarHBondContact O-N 3.33Å; G73-I76 PolarHBondContact O-N 3.47Å; Y74-I76 VanDerWaalsContact C-N 3.34Å; Y74-I76 PolarHBondContact O-N 3.41Å; I76-F78 VanDerWaalsContact C-N 3.34Å; I76-F78 PolarHBondContact O-N 3.04Å; I76-A79 PolarHBondContact O-N 3.44Å; I76-V80 WeakPolarHBondContact O-CG2 3.5Å; I76-V80 PolarHBondContact O-N 3.39Å; I76-L113 HydrophobicContact CG2-CB 3.79Å; I76-I117 HydrophobicContact CD1-CD1 4.12Å; I76-I117 HydrophobicContact CD1-CG2 4.14Å; I76-I118 HydrophobicContact CG1-CD1 3.74Å; I76-I118 HydrophobicContact CG1-CG1 3.85Å
77I90.9Very high89.7Confident50 Ų5064.8 Ų64.826%0.25632%0.316SS..Hα-helixtrans-61.3-46179.4-65.1168.9000110.2G73 Y74 V80 E81 A110 F114G73-I77 WeakPolarHBondContact O-CG1 3.45Å; G73-I77 PolarHBondContact O-N 2.9Å; G73-I77 VanDerWaalsContact O-N 3.09Å; Y74-I77 PolarHBondContact O-N 3.22Å; I77-V80 PolarHBondContact O-N 3.49Å; I77-E81 WeakPolarHBondContact O-CB 3.33Å; I77-E81 PolarHBondContact O-N 2.9Å; I77-A110 HydrophobicContact CG1-CB 4.39Å; I77-F114 HydrophobicContact CD1-CD2 4.48Å
78F89.8Confident89.6Confident104 Ų10467.6 Ų67.646%0.45632%0.32SS..Hα-helixtrans-62.6-42.7177.9-177.6-96.4000112.4Y74 F75 I76 E81 H82Y74-F78 WeakPolarHBondContact O-CB 3.48Å; Y74-F78 PolarHBondContact O-N 2.98Å; F75-F78 PolarHBondContact O-N 3.01Å; I76-F78 VanDerWaalsContact C-N 3.34Å; I76-F78 PolarHBondContact O-N 3.04Å; F78-E81 PolarHBondContact O-N 3.4Å; F78-H82 WeakPolarHBondContact O-CB 3.07Å; F78-H82 PolarHBondContact O-N 2.84Å
79A92.7Very high89.5Confident51 Ų5173.4 Ų73.442%0.42134%0.34SS..Hα-helixtrans-63-45.6177.600000111.4F75 I76 E81 H82 L83F75-A79 WeakPolarHBondContact O-CB 3.4Å; F75-A79 PolarHBondContact O-N 2.84Å; I76-A79 PolarHBondContact O-N 3.44Å; A79-E81 VanDerWaalsContact C-N 3.34Å; A79-E81 PolarHBondContact O-N 3.45Å; A79-H82 PolarHBondContact O-N 3.46Å; A79-L83 VanDerWaalsContact O-CB 3.28Å; A79-L83 WeakPolarHBondContact O-CB 3.43Å; A79-L83 PolarHBondContact O-N 2.91Å
80V93.2Very high89.3Confident11 Ų1177.9 Ų77.97%0.06736%0.362CS..Hα-helixtrans-60.1-46.4176.2171.50000110.8I76 I77 H82 L83 M84 V109 A110 L113I76-V80 WeakPolarHBondContact O-CG2 3.5Å; I76-V80 PolarHBondContact O-N 3.39Å; I77-V80 PolarHBondContact O-N 3.49Å; V80-H82 PolarHBondContact O-N 2.77Å; V80-L83 PolarHBondContact O-N 3.49Å; V80-M84 HydrophobicContact CG1-CG 4.13Å; V80-M84 WeakPolarHBondContact O-CB 3.3Å; V80-M84 WeakPolarHBondContact O-CG 3.19Å; V80-M84 PolarHBondContact O-N 2.95Å; V80-V109 HydrophobicContact CG1-CB 4.13Å; V80-V109 HydrophobicContact CG1-CG1 3.85Å; V80-V109 HydrophobicContact CG2-CG1 4.1Å; V80-A110 HydrophobicContact CB-CB 4.25Å; V80-A110 HydrophobicContact CG1-CB 4.07Å; V80-A110 HydrophobicContact CG2-CB 4.45Å; V80-L113 HydrophobicContact CG2-CD1 3.65Å
81E88.4Confident89.2Confident61 Ų6179.7 Ų79.729%0.28537%0.372SS..Hα-helixtrans-59.7-47.8178.2-178.3174.3169.500112.2I77 F78 A79 L83 M84 D85 K143I77-E81 WeakPolarHBondContact O-CB 3.33Å; I77-E81 PolarHBondContact O-N 2.9Å; F78-E81 PolarHBondContact O-N 3.4Å; A79-E81 VanDerWaalsContact C-N 3.34Å; A79-E81 PolarHBondContact O-N 3.45Å; E81-L83 VanDerWaalsContact C-N 3.28Å; E81-L83 PolarHBondContact O-N 3.43Å; E81-M84 PolarHBondContact O-N 2.99Å; E81-D85 WeakPolarHBondContact O-CB 3.46Å; E81-D85 PolarHBondContact O-N 2.87Å; E81-K143 IonicContact OE1-NZ 3.78Å; E81-K143 PolarHBondContact OE1-NZ 3.14Å; E81-K143 IonicContact OE2-NZ 3.36Å; E81-K143 PolarHBondContact OE2-NZ 3.41Å
82H89.7Confident88.6Confident123 Ų12378.9 Ų78.957%0.56937%0.373SS*.Hα-helixtrans-60.4-40.3178.3-171.874.3000112.3F78 A79 V80 Y86F78-H82 WeakPolarHBondContact O-CB 3.07Å; F78-H82 PolarHBondContact O-N 2.84Å; A79-H82 PolarHBondContact O-N 3.46Å; V80-H82 PolarHBondContact O-N 2.77Å; H82-Y86 WeakPolarHBondContact O-CB 3.3Å; H82-Y86 PolarHBondContact O-N 3.36Å
83L92.3Very high88.1Confident89 Ų8981.8 Ų81.847%0.46639%0.388SS..Hα-helixtrans-71-39-179.9-146163.1000111.1A79 V80 E81 Y86 F87A79-L83 VanDerWaalsContact O-CB 3.28Å; A79-L83 WeakPolarHBondContact O-CB 3.43Å; A79-L83 PolarHBondContact O-N 2.91Å; V80-L83 PolarHBondContact O-N 3.49Å; E81-L83 VanDerWaalsContact C-N 3.28Å; E81-L83 PolarHBondContact O-N 3.43Å; L83-Y86 WeakPolarHBondContact O-CB 3.35Å; L83-Y86 PolarHBondContact O-N 3.47Å; L83-F87 HydrophobicContact CD2-CD1 4.47Å; L83-F87 HydrophobicContact CD2-CD2 3.63Å; L83-F87 HydrophobicContact CD2-CE1 3.93Å; L83-F87 HydrophobicContact CD2-CE2 2.99Å; L83-F87 HydrophobicContact CD2-CG 4.34Å; L83-F87 HydrophobicContact CD2-CZ 3.16Å; L83-F87 HydrophobicContact CG-CE2 4.49Å; L83-F87 WeakPolarHBondContact O-CD2 3.21Å; L83-F87 WeakPolarHBondContact O-CG 3.29Å; L83-F87 PolarHBondContact O-N 3.45Å
84M90.1Very high87.6Confident13 Ų1384.4 Ų84.46%0.06440%0.402CS..Hα-helixtrans-65-42.3173.9-73.7-61.8-63.700111.9V80 E81 Y86 F87 R88 F97 F102 I105 S106V80-M84 HydrophobicContact CG1-CG 4.13Å; V80-M84 WeakPolarHBondContact O-CB 3.3Å; V80-M84 WeakPolarHBondContact O-CG 3.19Å; V80-M84 PolarHBondContact O-N 2.95Å; E81-M84 PolarHBondContact O-N 2.99Å; M84-Y86 VanDerWaalsContact C-N 3.32Å; M84-Y86 PolarHBondContact O-N 3.4Å; M84-F87 PolarHBondContact O-N 2.88Å; M84-F87 HydrophobicContact SD-CD2 4.46Å; M84-R88 WeakPolarHBondContact O-CB 3.39Å; M84-R88 PolarHBondContact O-N 2.87Å; M84-F97 HydrophobicContact CE-CD1 4.02Å; M84-F97 HydrophobicContact CE-CE1 3.81Å; M84-F97 HydrophobicContact SD-CE1 4.34Å; M84-F102 HydrophobicContact CB-CE2 3.72Å; M84-F102 HydrophobicContact CB-CZ 4.06Å; M84-F102 HydrophobicContact CE-CD2 3.97Å; M84-F102 HydrophobicContact CE-CE2 4.11Å; M84-I105 HydrophobicContact CE-CB 4.11Å; M84-I105 HydrophobicContact CE-CG2 3.64Å; M84-I105 HydrophobicContact SD-CG2 4.26Å; M84-S106 WeakPolarHBondContact CE-OG 3.42Å; M84-S106 WeakPolarHBondContact CG-OG 3.34Å
85D87.5Confident87.3Confident54 Ų5481 Ų8129%0.28940%0.403SS..Hα-helixtrans-63-38.9173.9-86.5-11.2000112.3E81 R88 K89 F102E81-D85 WeakPolarHBondContact O-CB 3.46Å; E81-D85 PolarHBondContact O-N 2.87Å; D85-R88 PolarHBondContact O-N 3.45Å; D85-K89 WeakPolarHBondContact O-CG 3.41Å; D85-K89 PolarHBondContact O-N 3.43Å; D85-K89 VanDerWaalsContact O-N 3.12Å; D85-F102 WeakPolarHBondContact OD1-CZ 3.17Å
86Y88.5Confident86.8Confident122 Ų12282.8 Ų82.848%0.47841%0.408SS..Hα-helixtrans-62-47.6173.9178.5-98.6000111.5H82 L83 M84 R88 K89 M90H82-Y86 WeakPolarHBondContact O-CB 3.3Å; H82-Y86 PolarHBondContact O-N 3.36Å; L83-Y86 WeakPolarHBondContact O-CB 3.35Å; L83-Y86 PolarHBondContact O-N 3.47Å; M84-Y86 VanDerWaalsContact C-N 3.32Å; M84-Y86 PolarHBondContact O-N 3.4Å; Y86-R88 PolarHBondContact O-N 3.37Å; Y86-K89 PolarHBondContact O-N 3.41Å; Y86-M90 HydrophobicContact CD1-SD 4.1Å; Y86-M90 HydrophobicContact CE1-CE 3.73Å; Y86-M90 HydrophobicContact CE1-CG 4.23Å; Y86-M90 HydrophobicContact CE1-SD 3.34Å; Y86-M90 WeakPolarHBondContact CE1-SD 3.39Å; Y86-M90 HydrophobicContact CE2-CE 4.01Å; Y86-M90 HydrophobicContact CE2-SD 4.47Å; Y86-M90 VanDerWaalsContact CZ-SD 3.6Å; Y86-M90 PolarHBondContact O-N 3.47Å; Y86-M90 VanDerWaalsContact O-N 3.08Å; Y86-M90 WeakPolarHBondContact OH-CE 3.15Å
87F87.8Confident86.2Confident80 Ų8083 Ų8335%0.35141%0.408SS..Hα-helixtrans-63-39.1176.2-69.6-35.4000113.1L83 M84 K89 M90 L91 F97L83-F87 HydrophobicContact CD2-CD1 4.47Å; L83-F87 HydrophobicContact CD2-CD2 3.63Å; L83-F87 HydrophobicContact CD2-CE1 3.93Å; L83-F87 HydrophobicContact CD2-CE2 2.99Å; L83-F87 HydrophobicContact CD2-CG 4.34Å; L83-F87 HydrophobicContact CD2-CZ 3.16Å; L83-F87 HydrophobicContact CG-CE2 4.49Å; L83-F87 WeakPolarHBondContact O-CD2 3.21Å; L83-F87 WeakPolarHBondContact O-CG 3.29Å; L83-F87 PolarHBondContact O-N 3.45Å; M84-F87 PolarHBondContact O-N 2.88Å; M84-F87 HydrophobicContact SD-CD2 4.46Å; F87-K89 VanDerWaalsContact C-N 3.26Å; F87-K89 PolarHBondContact O-N 3.3Å; F87-M90 PolarHBondContact O-N 2.88Å; F87-M90 VanDerWaalsContact O-N 3.13Å; F87-L91 PolarHBondContact O-N 3.5Å; F87-F97 HydrophobicContact CB-CD1 4.19Å; F87-F97 HydrophobicContact CB-CE1 3.52Å; F87-F97 HydrophobicContact CB-CZ 3.79Å; F87-F97 HydrophobicContact CD2-CE1 4.39Å; F87-F97 HydrophobicContact CG-CE1 4.4Å; F87-F97 HydrophobicContact CG-CZ 4.47Å
88R85Confident85.5Confident79 Ų7986.6 Ų86.630%0.29842%0.418SS..Hα-helixtrans-58.3-39174.2178.7176.3174.3-171.50.6112M84 D85 Y86 L91 P92 F97 F102 E149M84-R88 WeakPolarHBondContact O-CB 3.39Å; M84-R88 PolarHBondContact O-N 2.87Å; D85-R88 PolarHBondContact O-N 3.45Å; Y86-R88 PolarHBondContact O-N 3.37Å; R88-L91 CarbonylContact O-C 3.43Å; R88-P92 WeakPolarHBondContact O-CA 3.46Å; R88-F97 HydrophobicContact CB-CB 4.11Å; R88-F97 HydrophobicContact CB-CD1 4.46Å; R88-F97 HydrophobicContact CG-CB 4.22Å; R88-F102 HydrophobicContact CB-CE2 4.21Å; R88-E149 IonicContact CZ-OE1 3.91Å; R88-E149 IonicContact CZ-OE2 3.77Å; R88-E149 IonicContact NH1-OE1 3.72Å; R88-E149 PolarHBondContact NH1-OE1 3.01Å; R88-E149 IonicContact NH1-OE2 3.99Å; R88-E149 IonicContact NH2-OE1 3.85Å; R88-E149 IonicContact NH2-OE2 2.87Å; R88-E149 PolarHBondContact NH2-OE2 2.82Å
89K86Confident85.1Confident169 Ų16983.6 Ų83.674%0.73542%0.417SS*.Hα-helixtrans-70.6-34.3176.2-70.4171.1-175.2172.20112.7D85 Y86 F87D85-K89 WeakPolarHBondContact O-CG 3.41Å; D85-K89 PolarHBondContact O-N 3.43Å; D85-K89 VanDerWaalsContact O-N 3.12Å; Y86-K89 PolarHBondContact O-N 3.41Å; F87-K89 VanDerWaalsContact C-N 3.26Å; F87-K89 PolarHBondContact O-N 3.3Å
90M86.4Confident84.6Confident113 Ų11385 Ų8556%0.55743%0.429SS*.Hα-helixtrans-77.3-31.1177.9-72.1-163.7147.200113.8Y86 F87 P92Y86-M90 HydrophobicContact CD1-SD 4.1Å; Y86-M90 HydrophobicContact CE1-CE 3.73Å; Y86-M90 HydrophobicContact CE1-CG 4.23Å; Y86-M90 HydrophobicContact CE1-SD 3.34Å; Y86-M90 WeakPolarHBondContact CE1-SD 3.39Å; Y86-M90 HydrophobicContact CE2-CE 4.01Å; Y86-M90 HydrophobicContact CE2-SD 4.47Å; Y86-M90 VanDerWaalsContact CZ-SD 3.6Å; Y86-M90 PolarHBondContact O-N 3.47Å; Y86-M90 VanDerWaalsContact O-N 3.08Å; Y86-M90 WeakPolarHBondContact OH-CE 3.15Å; F87-M90 PolarHBondContact O-N 2.88Å; F87-M90 VanDerWaalsContact O-N 3.13Å; M90-P92 WeakPolarHBondContact O-CD 3.29Å
91L85.2Confident84.2Confident86 Ų8687.5 Ų87.545%0.4544%0.444SS..  trans-125.360.1-175.2-64.2164.6000111.1F87 R88 E93 N94 F97F87-L91 PolarHBondContact O-N 3.5Å; R88-L91 CarbonylContact O-C 3.43Å; L91-E93 PolarHBondContact O-N 2.83Å; L91-N94 HydrophobicContact CB-CB 4.25Å; L91-N94 PolarHBondContact O-N 2.94Å; L91-F97 HydrophobicContact CB-CD2 4.18Å; L91-F97 HydrophobicContact CB-CE2 4.25Å; L91-F97 HydrophobicContact CD1-CE2 3.89Å; L91-F97 HydrophobicContact CD1-CZ 4.47Å
92P75.6Confident84.1Confident77 Ų7785 Ų8550%0.543%0.432SS..THydrogen-bonded Turntrans-66-24.7-170.227.2-35.9000113.8R88 M90 R98R88-P92 WeakPolarHBondContact O-CA 3.46Å; M90-P92 WeakPolarHBondContact O-CD 3.29Å; P92-R98 VanDerWaalsContact O-CZ 3.26Å; P92-R98 PolarHBondContact O-NE 3.27Å; P92-R98 PolarHBondContact O-NH2 3.24Å
93E78.6Confident84Confident153 Ų15381 Ų8172%0.71541%0.413SS*.THydrogen-bonded Turntrans-84.2-9-179-67.5-62.5159.800114.2L91 R98L91-E93 PolarHBondContact O-N 2.83Å; E93-R98 IonicContact OE1-NH2 2.58Å; E93-R98 IonicContact OE2-CZ 3.61Å; E93-R98 IonicContact OE2-NH1 2.74Å; E93-R98 IonicContact OE2-NH2 2.68Å; E93-R98 PolarHBondContact OE2-NH2 3.31Å
94N81.2Confident83.9Confident56 Ų5682 Ų8230%0.29942%0.419SS..  trans-83.9126.8-173-175.8-17.9000111.5L91 Y96 F97L91-N94 HydrophobicContact CB-CB 4.25Å; L91-N94 PolarHBondContact O-N 2.94Å; N94-Y96 PolarHBondContact O-N 3.28Å; N94-Y96 VanDerWaalsContact O-N 3.14Å; N94-Y96 WeakPolarHBondContact OD1-CD2 3.2Å; N94-Y96 PolarHBondContact OD1-N 2.97Å; N94-F97 HydrophobicContact CB-CD2 3.95Å; N94-F97 PolarHBondContact O-N 3.3Å
95A80.4Confident84Confident70 Ų7084 Ų8458%0.57943%0.429SS*.G310 helixtrans-58.4-25.2-178.400000113.9F97 T101A95-F97 VanDerWaalsContact C-N 3.28Å; A95-F97 PolarHBondContact O-N 2.94Å; A95-T101 PolarHBondContact O-OG1 2.89Å
96Y80.9Confident84.2Confident154 Ų15481.7 Ų81.760%0.60442%0.417SS*.G310 helixtrans-71.6-21177.2-64.1-64.6000113.4N94 T101 F102 I105N94-Y96 PolarHBondContact O-N 3.28Å; N94-Y96 VanDerWaalsContact O-N 3.14Å; N94-Y96 WeakPolarHBondContact OD1-CD2 3.2Å; N94-Y96 PolarHBondContact OD1-N 2.97Å; Y96-T101 PolarHBondContact O-OG1 2.96Å; Y96-F102 WeakPolarHBondContact O-CA 3.49Å; Y96-F102 PolarHBondContact O-N 3.31Å; Y96-I105 HydrophobicContact CD1-CD1 4.12Å; Y96-I105 HydrophobicContact CG-CD1 4.38Å
97F81Confident84.4Confident28 Ų2878.1 Ų78.112%0.12340%0.403CS..G310 helixtrans-104.223.6-178.7-61.2-78000113.1M84 F87 R88 L91 N94 A95 F102M84-F97 HydrophobicContact CE-CD1 4.02Å; M84-F97 HydrophobicContact CE-CE1 3.81Å; M84-F97 HydrophobicContact SD-CE1 4.34Å; F87-F97 HydrophobicContact CB-CD1 4.19Å; F87-F97 HydrophobicContact CB-CE1 3.52Å; F87-F97 HydrophobicContact CB-CZ 3.79Å; F87-F97 HydrophobicContact CD2-CE1 4.39Å; F87-F97 HydrophobicContact CG-CE1 4.4Å; F87-F97 HydrophobicContact CG-CZ 4.47Å; R88-F97 HydrophobicContact CB-CB 4.11Å; R88-F97 HydrophobicContact CB-CD1 4.46Å; R88-F97 HydrophobicContact CG-CB 4.22Å; L91-F97 HydrophobicContact CB-CD2 4.18Å; L91-F97 HydrophobicContact CB-CE2 4.25Å; L91-F97 HydrophobicContact CD1-CE2 3.89Å; L91-F97 HydrophobicContact CD1-CZ 4.47Å; N94-F97 HydrophobicContact CB-CD2 3.95Å; N94-F97 PolarHBondContact O-N 3.3Å; A95-F97 VanDerWaalsContact C-N 3.28Å; A95-F97 PolarHBondContact O-N 2.94Å; F97-F102 HydrophobicContact CD1-CD2 4.19Å
98R75.7Confident84.7Confident125 Ų12577.5 Ų77.547%0.47241%0.406SS..SBendtrans-125.2126.5-178.9-67.6-178.4175.4-178.3-3.1111.9P92 E93 A100 T101P92-R98 VanDerWaalsContact O-CZ 3.26Å; P92-R98 PolarHBondContact O-NE 3.27Å; P92-R98 PolarHBondContact O-NH2 3.24Å; E93-R98 IonicContact OE1-NH2 2.58Å; E93-R98 IonicContact OE2-CZ 3.61Å; E93-R98 IonicContact OE2-NH1 2.74Å; E93-R98 IonicContact OE2-NH2 2.68Å; E93-R98 PolarHBondContact OE2-NH2 3.31Å; R98-A100 PolarHBondContact O-N 3.21Å; R98-T101 PolarHBondContact O-OG1 3.19Å
99G80.5Confident85.2Confident42 Ų4276.5 Ų76.543%0.43341%0.408SS..THydrogen-bonded Turntrans61-131.9170.200000114T101 F102 H103G99-T101 VanDerWaalsContact C-N 3.35Å; G99-T101 PolarHBondContact O-N 3.36Å; G99-F102 WeakPolarHBondContact O-CB 3.34Å; G99-F102 PolarHBondContact O-N 3.4Å; G99-H103 PolarHBondContact O-CD2 2.91Å; G99-H103 PolarHBondContact O-N 2.94Å
100A82.4Confident85.6Confident81 Ų8168.7 Ų68.767%0.66938%0.375SS*.Hα-helixtrans-63.6-33.8-172.300000114.2R98 H103 L104R98-A100 PolarHBondContact O-N 3.21Å; A100-H103 PolarHBondContact O-N 3.46Å; A100-L104 WeakPolarHBondContact O-CB 3.32Å; A100-L104 PolarHBondContact O-N 3.25Å
101T85.2Confident86Confident62 Ų6263.4 Ų63.438%0.3835%0.35SS..Hα-helixtrans-66.1-41.917951.10000111.3A95 Y96 R98 G99 H103 L104 I105A95-T101 PolarHBondContact O-OG1 2.89Å; Y96-T101 PolarHBondContact O-OG1 2.96Å; R98-T101 PolarHBondContact O-OG1 3.19Å; G99-T101 VanDerWaalsContact C-N 3.35Å; G99-T101 PolarHBondContact O-N 3.36Å; T101-H103 VanDerWaalsContact C-N 3.32Å; T101-H103 PolarHBondContact O-N 3.49Å; T101-L104 PolarHBondContact O-N 2.71Å; T101-I105 VanDerWaalsContact O-CG1 3.28Å; T101-I105 WeakPolarHBondContact O-CG1 3.42Å; T101-I105 PolarHBondContact O-N 3.01Å
102F87Confident86.5Confident8 Ų861.6 Ų61.64%0.03534%0.342CS..Hα-helixtrans-57-47.3173.7169.3-99.8000111.5M84 D85 R88 Y96 F97 G99 S106M84-F102 HydrophobicContact CB-CE2 3.72Å; M84-F102 HydrophobicContact CB-CZ 4.06Å; M84-F102 HydrophobicContact CE-CD2 3.97Å; M84-F102 HydrophobicContact CE-CE2 4.11Å; D85-F102 WeakPolarHBondContact OD1-CZ 3.17Å; R88-F102 HydrophobicContact CB-CE2 4.21Å; Y96-F102 WeakPolarHBondContact O-CA 3.49Å; Y96-F102 PolarHBondContact O-N 3.31Å; F97-F102 HydrophobicContact CD1-CD2 4.19Å; G99-F102 WeakPolarHBondContact O-CB 3.34Å; G99-F102 PolarHBondContact O-N 3.4Å; F102-S106 WeakPolarHBondContact O-CB 3.28Å; F102-S106 PolarHBondContact O-N 3.42Å; F102-S106 PolarHBondContact O-OG 3.19Å
103H87.9Confident87.5Confident39 Ų3961 Ų6118%0.18134%0.335CS..Hα-helixtrans-63.5-44.6179.4-69-49.8000111.9G99 A100 T101 S106 Y107 Y140G99-H103 PolarHBondContact O-CD2 2.91Å; G99-H103 PolarHBondContact O-N 2.94Å; A100-H103 PolarHBondContact O-N 3.46Å; T101-H103 VanDerWaalsContact C-N 3.32Å; T101-H103 PolarHBondContact O-N 3.49Å; H103-S106 PolarHBondContact O-N 2.95Å; H103-Y107 VanDerWaalsContact O-CB 3.24Å; H103-Y107 WeakPolarHBondContact O-CB 3.27Å; H103-Y107 PolarHBondContact O-N 3.02Å; H103-Y140 WeakPolarHBondContact CA-OH 3.4Å; H103-Y140 HydrophobicContact CB-CE1 3.78Å; H103-Y140 WeakPolarHBondContact CB-OH 3.49Å; H103-Y140 AromaticContact ND1-CE1 4Å; H103-Y140 AromaticContact ND1-CZ 3.77Å; H103-Y140 PolarHBondContact ND1-OH 2.96Å
104L89.9Confident88.2Confident112 Ų11254.8 Ų54.859%0.58631%0.305SS*.Hα-helixtrans-64-46.7179.2-166.9152.3000111.5A100 T101 Y107 T108A100-L104 WeakPolarHBondContact O-CB 3.32Å; A100-L104 PolarHBondContact O-N 3.25Å; T101-L104 PolarHBondContact O-N 2.71Å; L104-Y107 PolarHBondContact O-N 2.96Å; L104-T108 WeakPolarHBondContact O-CB 3.28Å; L104-T108 PolarHBondContact O-N 3.06Å; L104-T108 PolarHBondContact O-OG1 2.88Å
105I91.3Very high88.9Confident54 Ų5454.5 Ų54.528%0.27730%0.3SS..Hα-helixtrans-61.4-48.5177.4-67.3166.6000110.5M84 Y96 T101 Y107 T108 V109M84-I105 HydrophobicContact CE-CB 4.11Å; M84-I105 HydrophobicContact CE-CG2 3.64Å; M84-I105 HydrophobicContact SD-CG2 4.26Å; Y96-I105 HydrophobicContact CD1-CD1 4.12Å; Y96-I105 HydrophobicContact CG-CD1 4.38Å; T101-I105 VanDerWaalsContact O-CG1 3.28Å; T101-I105 WeakPolarHBondContact O-CG1 3.42Å; T101-I105 PolarHBondContact O-N 3.01Å; I105-Y107 VanDerWaalsContact C-N 3.29Å; I105-Y107 PolarHBondContact O-N 3.26Å; I105-T108 PolarHBondContact O-N 3.49Å; I105-V109 HydrophobicContact CG2-CG2 4.2Å; I105-V109 WeakPolarHBondContact O-CB 3.21Å; I105-V109 VanDerWaalsContact O-CG2 3.3Å; I105-V109 WeakPolarHBondContact O-CG2 3.39Å; I105-V109 PolarHBondContact O-N 3.01Å
106S91.4Very high89.5Confident6 Ų656.8 Ų56.84%0.04230%0.297CS..Hα-helixtrans-58.3-44.9179.8-56.40000111.2M84 F102 H103 A110M84-S106 WeakPolarHBondContact CE-OG 3.42Å; M84-S106 WeakPolarHBondContact CG-OG 3.34Å; F102-S106 WeakPolarHBondContact O-CB 3.28Å; F102-S106 PolarHBondContact O-N 3.42Å; F102-S106 PolarHBondContact O-OG 3.19Å; H103-S106 PolarHBondContact O-N 2.95Å; S106-A110 WeakPolarHBondContact O-CB 3.23Å; S106-A110 PolarHBondContact O-N 3.27Å
107Y92.6Very high90Very high47 Ų4752.5 Ų52.518%0.18428%0.284CS..Hα-helixtrans-62.4-47.6176.4160.4-109.4000112.7H103 L104 I105 A110 T111 M133 I136 G137H103-Y107 VanDerWaalsContact O-CB 3.24Å; H103-Y107 WeakPolarHBondContact O-CB 3.27Å; H103-Y107 PolarHBondContact O-N 3.02Å; L104-Y107 PolarHBondContact O-N 2.96Å; I105-Y107 VanDerWaalsContact C-N 3.29Å; I105-Y107 PolarHBondContact O-N 3.26Å; Y107-A110 PolarHBondContact O-N 3.18Å; Y107-T111 VanDerWaalsContact CE2-OG1 3.3Å; Y107-T111 WeakPolarHBondContact CE2-OG1 3.25Å; Y107-T111 WeakPolarHBondContact O-CB 3.43Å; Y107-T111 PolarHBondContact O-N 3.47Å; Y107-T111 PolarHBondContact O-OG1 3.2Å; Y107-M133 HydrophobicContact CE1-CG 4.46Å; Y107-M133 WeakPolarHBondContact OH-CG 3.34Å; Y107-M133 PolarHBondContact OH-O 2.6Å; Y107-I136 HydrophobicContact CD2-CG2 3.95Å; Y107-I136 HydrophobicContact CE2-CB 4.25Å; Y107-I136 HydrophobicContact CE2-CG2 3.98Å; Y107-G137 VanDerWaalsContact CE2-N 3.34Å
108T94.2Very high90.4Very high67 Ų6751.2 Ų51.241%0.41128%0.279SS..Hα-helixtrans-61.7-48.7179.2-60.20000110.6L104 I105 A110 T111 T112L104-T108 WeakPolarHBondContact O-CB 3.28Å; L104-T108 PolarHBondContact O-N 3.06Å; L104-T108 PolarHBondContact O-OG1 2.88Å; I105-T108 PolarHBondContact O-N 3.49Å; T108-A110 PolarHBondContact O-N 3.32Å; T108-T111 PolarHBondContact O-N 3.21Å; T108-T112 WeakPolarHBondContact O-CB 3.49Å; T108-T112 PolarHBondContact O-N 3.01Å; T108-T112 PolarHBondContact O-OG1 3.01Å
109V95.2Very high91.2Very high57 Ų5745.8 Ų45.835%0.34526%0.258SS..Hα-helixtrans-61.4-46.7178.41740000110.9V80 I105 T111 T112 L113V80-V109 HydrophobicContact CG1-CB 4.13Å; V80-V109 HydrophobicContact CG1-CG1 3.85Å; V80-V109 HydrophobicContact CG2-CG1 4.1Å; I105-V109 HydrophobicContact CG2-CG2 4.2Å; I105-V109 WeakPolarHBondContact O-CB 3.21Å; I105-V109 VanDerWaalsContact O-CG2 3.3Å; I105-V109 WeakPolarHBondContact O-CG2 3.39Å; I105-V109 PolarHBondContact O-N 3.01Å; V109-T111 PolarHBondContact O-N 2.81Å; V109-T112 PolarHBondContact O-N 2.81Å; V109-L113 HydrophobicContact CG1-CD1 3.93Å; V109-L113 HydrophobicContact CG1-CG 4.28Å; V109-L113 WeakPolarHBondContact O-CB 3.32Å; V109-L113 WeakPolarHBondContact O-CG 3.37Å; V109-L113 PolarHBondContact O-N 3.48Å
110A95Very high91.5Very high5 Ų548.4 Ų48.44%0.04126%0.262CS..Hα-helixtrans-60.6-44.7178.800000112.1I77 V80 S106 Y107 T108 L113 F114I77-A110 HydrophobicContact CG1-CB 4.39Å; V80-A110 HydrophobicContact CB-CB 4.25Å; V80-A110 HydrophobicContact CG1-CB 4.07Å; V80-A110 HydrophobicContact CG2-CB 4.45Å; S106-A110 WeakPolarHBondContact O-CB 3.23Å; S106-A110 PolarHBondContact O-N 3.27Å; Y107-A110 PolarHBondContact O-N 3.18Å; T108-A110 PolarHBondContact O-N 3.32Å; A110-L113 PolarHBondContact O-N 3.43Å; A110-F114 WeakPolarHBondContact O-CB 3.33Å; A110-F114 PolarHBondContact O-N 3.28Å
111T95.2Very high91.9Very high2 Ų250.1 Ų50.11%0.01226%0.26CS..Hα-helixtrans-64.7-45.8179.2-55.90000111.4Y107 T108 V109 F114 Y115 F129 I132 M133 I136Y107-T111 VanDerWaalsContact CE2-OG1 3.3Å; Y107-T111 WeakPolarHBondContact CE2-OG1 3.25Å; Y107-T111 WeakPolarHBondContact O-CB 3.43Å; Y107-T111 PolarHBondContact O-N 3.47Å; Y107-T111 PolarHBondContact O-OG1 3.2Å; T108-T111 PolarHBondContact O-N 3.21Å; V109-T111 PolarHBondContact O-N 2.81Å; T111-F114 PolarHBondContact O-N 2.92Å; T111-Y115 PolarHBondContact O-N 3.37Å; T111-F129 HydrophobicContact CG2-CE2 3.95Å; T111-F129 HydrophobicContact CG2-CZ 3.99Å; T111-I132 HydrophobicContact CG2-CG2 4.24Å; T111-M133 HydrophobicContact CG2-CB 3.91Å; T111-M133 HydrophobicContact CG2-CG 4.39Å; T111-I136 HydrophobicContact CG2-CD1 4.36Å
112T96Very high92.2Very high49 Ų4948.5 Ų48.530%0.30125%0.247SC..Hα-helixtrans-60.8-49.7176.8-61.30000111.1T108 V109 F114 Y115 F116T108-T112 WeakPolarHBondContact O-CB 3.49Å; T108-T112 PolarHBondContact O-N 3.01Å; T108-T112 PolarHBondContact O-OG1 3.01Å; V109-T112 PolarHBondContact O-N 2.81Å; T112-F114 PolarHBondContact O-N 3.48Å; T112-Y115 PolarHBondContact O-N 3.17Å; T112-F116 HydrophobicContact CG2-CD2 3.71Å; T112-F116 HydrophobicContact CG2-CE2 3.88Å; T112-F116 VanDerWaalsContact O-CD2 3.23Å; T112-F116 WeakPolarHBondContact O-CD2 3.38Å; T112-F116 PolarHBondContact O-N 3.47Å
113L95.7Very high92.4Very high65 Ų6554.1 Ų54.134%0.3428%0.282SS..Hα-helixtrans-65.8-40.2179.6-68.7-175.8000112.2I76 V80 V109 A110 Y115 F116 I117I76-L113 HydrophobicContact CG2-CB 3.79Å; V80-L113 HydrophobicContact CG2-CD1 3.65Å; V109-L113 HydrophobicContact CG1-CD1 3.93Å; V109-L113 HydrophobicContact CG1-CG 4.28Å; V109-L113 WeakPolarHBondContact O-CB 3.32Å; V109-L113 WeakPolarHBondContact O-CG 3.37Å; V109-L113 PolarHBondContact O-N 3.48Å; A110-L113 PolarHBondContact O-N 3.43Å; L113-Y115 VanDerWaalsContact C-N 3.29Å; L113-Y115 PolarHBondContact O-N 2.82Å; L113-F116 PolarHBondContact O-N 3.39Å; L113-I117 HydrophobicContact CB-CD1 4.16Å; L113-I117 HydrophobicContact CD2-CD1 3.98Å; L113-I117 WeakPolarHBondContact O-CB 3.11Å; L113-I117 WeakPolarHBondContact O-CG1 3.48Å; L113-I117 PolarHBondContact O-N 2.86Å
114F94.6Very high92.7Very high21 Ų2157 Ų579%0.09229%0.292CS..Iπ-helixtrans-56.3-47174.4-178.5-76000110.7Y69 I77 A110 T111 T112 I118 H119 I132 I136Y69-F114 HydrophobicContact CE1-CE1 4.42Å; Y69-F114 AromaticContact CE1-CZ 3.92Å; Y69-F114 HydrophobicContact CE1-CZ 3.92Å; Y69-F114 HydrophobicContact CE2-CE1 4.37Å; Y69-F114 HydrophobicContact CE2-CZ 4.35Å; Y69-F114 AromaticContact CZ-CE1 3.8Å; Y69-F114 AromaticContact CZ-CZ 3.72Å; Y69-F114 WeakPolarHBondContact OH-CE1 3.24Å; I77-F114 HydrophobicContact CD1-CD2 4.48Å; A110-F114 WeakPolarHBondContact O-CB 3.33Å; A110-F114 PolarHBondContact O-N 3.28Å; T111-F114 PolarHBondContact O-N 2.92Å; T112-F114 PolarHBondContact O-N 3.48Å; F114-I118 WeakPolarHBondContact O-CA 3.35Å; F114-I118 WeakPolarHBondContact O-CB 3.44Å; F114-I118 PolarHBondContact O-N 3.33Å; F114-H119 PolarHBondContact O-N 3.28Å; F114-I132 HydrophobicContact CD1-CG2 3.72Å; F114-I132 HydrophobicContact CE1-CD1 4.36Å; F114-I132 HydrophobicContact CE1-CG2 4.03Å; F114-I136 HydrophobicContact CB-CD1 3.99Å; F114-I136 HydrophobicContact CD1-CD1 4.17Å; F114-I136 HydrophobicContact CD2-CD1 4.15Å; F114-I136 HydrophobicContact CG-CD1 3.86Å
115Y94.6Very high92.8Very high51 Ų5151.9 Ų51.920%0.227%0.265CS..Iπ-helixtrans-63.5-53.1179.7-173.1-97.5000112.2T111 T112 L113 H119 L120 F129 I132T111-Y115 PolarHBondContact O-N 3.37Å; T112-Y115 PolarHBondContact O-N 3.17Å; L113-Y115 VanDerWaalsContact C-N 3.29Å; L113-Y115 PolarHBondContact O-N 2.82Å; Y115-H119 HydrophobicContact CD2-CB 4.13Å; Y115-H119 AromaticContact CD2-CD2 3.76Å; Y115-H119 AromaticContact CE2-CD2 3.43Å; Y115-H119 VanDerWaalsContact CE2-CD2 3.43Å; Y115-H119 WeakPolarHBondContact CE2-CD2 3.23Å; Y115-H119 WeakPolarHBondContact O-CA 3.42Å; Y115-H119 VanDerWaalsContact O-CB 3.25Å; Y115-H119 WeakPolarHBondContact O-CB 2.89Å; Y115-H119 PolarHBondContact O-N 2.96Å; Y115-L120 HydrophobicContact CE1-CD2 4.23Å; Y115-L120 HydrophobicContact CE1-CG 4.44Å; Y115-L120 PolarHBondContact O-N 2.87Å; Y115-F129 AromaticContact CD1-CD2 4Å; Y115-F129 HydrophobicContact CD1-CD2 4Å; Y115-F129 HydrophobicContact CD2-CB 4.05Å; Y115-F129 AromaticContact CD2-CD2 3.71Å; Y115-F129 HydrophobicContact CD2-CD2 3.71Å; Y115-F129 HydrophobicContact CD2-CG 4.4Å; Y115-F129 HydrophobicContact CE2-CB 3.84Å; Y115-F129 HydrophobicContact CE2-CD2 4.32Å; Y115-F129 AromaticContact CG-CD2 3.52Å; Y115-F129 HydrophobicContact CG-CD2 3.52Å; Y115-F129 HydrophobicContact CG-CE2 4.24Å; Y115-I132 HydrophobicContact CD2-CD1 3.62Å; Y115-I132 HydrophobicContact CE2-CD1 4.14Å
116F94.2Very high92.9Very high118 Ų11853.7 Ų53.752%0.51828%0.275SS..Iπ-helixtrans-76.1-32.8-172.7-73.9-73000113.8T112 L113 L120T112-F116 HydrophobicContact CG2-CD2 3.71Å; T112-F116 HydrophobicContact CG2-CE2 3.88Å; T112-F116 VanDerWaalsContact O-CD2 3.23Å; T112-F116 WeakPolarHBondContact O-CD2 3.38Å; T112-F116 PolarHBondContact O-N 3.47Å; L113-F116 PolarHBondContact O-N 3.39Å; F116-L120 HydrophobicContact CB-CD1 4.49Å; F116-L120 HydrophobicContact CD1-CD1 3.53Å; F116-L120 HydrophobicContact CE1-CD1 4.19Å; F116-L120 HydrophobicContact CG-CD1 4.42Å
117I91.2Very high92.9Very high64 Ų6453.8 Ų53.833%0.32828%0.275SS..Iπ-helixtrans-90.3-40.1-177.8-59.2178.5000111.3F72 I76 L113 N121F72-I117 HydrophobicContact CZ-CG2 4.29Å; I76-I117 HydrophobicContact CD1-CD1 4.12Å; I76-I117 HydrophobicContact CD1-CG2 4.14Å; L113-I117 HydrophobicContact CB-CD1 4.16Å; L113-I117 HydrophobicContact CD2-CD1 3.98Å; L113-I117 WeakPolarHBondContact O-CB 3.11Å; L113-I117 WeakPolarHBondContact O-CG1 3.48Å; L113-I117 PolarHBondContact O-N 2.86Å; I117-N121 PolarHBondContact O-ND2 3.39Å
118I89.6Confident93Very high0 Ų055.5 Ų55.50%029%0.287CS..Iπ-helixtrans-98.2-62.9-174.9-47.8-62.2000108.9Y69 F72 I76 F114 L120 N121 Y122Y69-I118 HydrophobicContact CD2-CG2 3.62Å; Y69-I118 HydrophobicContact CE2-CG2 3.85Å; Y69-I118 HydrophobicContact CG-CG2 4.42Å; F72-I118 HydrophobicContact CB-CD1 3.85Å; F72-I118 HydrophobicContact CD1-CD1 3.16Å; F72-I118 HydrophobicContact CD2-CD1 3.56Å; F72-I118 HydrophobicContact CE1-CD1 3.39Å; F72-I118 HydrophobicContact CE2-CD1 3.78Å; F72-I118 HydrophobicContact CG-CD1 3.23Å; F72-I118 HydrophobicContact CZ-CD1 3.7Å; I76-I118 HydrophobicContact CG1-CD1 3.74Å; I76-I118 HydrophobicContact CG1-CG1 3.85Å; F114-I118 WeakPolarHBondContact O-CA 3.35Å; F114-I118 WeakPolarHBondContact O-CB 3.44Å; F114-I118 PolarHBondContact O-N 3.33Å; I118-L120 PolarHBondContact O-N 2.94Å; I118-N121 PolarHBondContact O-N 2.83Å; I118-Y122 HydrophobicContact CG2-CD2 4.06Å; I118-Y122 HydrophobicContact CG2-CE2 3.94Å; I118-Y122 VanDerWaalsContact O-CD2 3.28Å; I118-Y122 WeakPolarHBondContact O-CD2 3.39Å; I118-Y122 PolarHBondContact O-N 3.33Å
119H90.7Very high93Very high11 Ų1155.9 Ų55.95%0.05128%0.284CS..G310 helixtrans-57.7-46-169.3-171.768.3000113.5Y69 F114 Y115 N121 Y122 I125 I127 I132Y69-H119 HydrophobicContact CE2-CB 4.43Å; Y69-H119 AromaticContact CE2-ND1 3.98Å; Y69-H119 PolarHBondContact OH-ND1 3.46Å; F114-H119 PolarHBondContact O-N 3.28Å; Y115-H119 HydrophobicContact CD2-CB 4.13Å; Y115-H119 AromaticContact CD2-CD2 3.76Å; Y115-H119 AromaticContact CE2-CD2 3.43Å; Y115-H119 VanDerWaalsContact CE2-CD2 3.43Å; Y115-H119 WeakPolarHBondContact CE2-CD2 3.23Å; Y115-H119 WeakPolarHBondContact O-CA 3.42Å; Y115-H119 VanDerWaalsContact O-CB 3.25Å; Y115-H119 WeakPolarHBondContact O-CB 2.89Å; Y115-H119 PolarHBondContact O-N 2.96Å; H119-N121 PolarHBondContact O-N 3.32Å; H119-N121 VanDerWaalsContact O-N 3.16Å; H119-Y122 PolarHBondContact O-N 3.36Å; H119-I125 PolarHBondContact CE1-O 3.23Å; H119-I127 PolarHBondContact CE1-N 3.31Å; H119-I127 PolarHBondContact NE2-N 2.86Å; H119-I127 PolarHBondContact NE2-O 2.88Å; H119-I127 VanDerWaalsContact NE2-O 3.07Å; H119-I132 HydrophobicContact CB-CD1 4.11Å
120L88.3Confident93Very high97 Ų9759.3 Ų59.351%0.50829%0.291SS..G310 helixtrans-62.4-23.1177.5-69.2-176.3000114.8Y115 F116 I118Y115-L120 HydrophobicContact CE1-CD2 4.23Å; Y115-L120 HydrophobicContact CE1-CG 4.44Å; Y115-L120 PolarHBondContact O-N 2.87Å; F116-L120 HydrophobicContact CB-CD1 4.49Å; F116-L120 HydrophobicContact CD1-CD1 3.53Å; F116-L120 HydrophobicContact CE1-CD1 4.19Å; F116-L120 HydrophobicContact CG-CD1 4.42Å; I118-L120 PolarHBondContact O-N 2.94Å
121N89.9Confident93Very high117 Ų11759.3 Ų59.363%0.62629%0.29SS*.G310 helixtrans-86.1-10.4177.7-75.6-63.7000113.1I117 I118 H119I117-N121 PolarHBondContact O-ND2 3.39Å; I118-N121 PolarHBondContact O-N 2.83Å; H119-N121 PolarHBondContact O-N 3.32Å; H119-N121 VanDerWaalsContact O-N 3.16Å
122Y92.4Very high92.9Very high29 Ų2959.4 Ų59.411%0.11429%0.29CS..  trans-104.581.2179.9-79.2-102.6000111.2Y65 S68 Y69 I118 H119 Y124 I125Y65-Y122 HydrophobicContact CD1-CD1 4.27Å; Y65-Y122 HydrophobicContact CD2-CD1 4.34Å; Y65-Y122 HydrophobicContact CD2-CE1 4.34Å; Y65-Y122 AromaticContact CE1-CD1 3.72Å; Y65-Y122 HydrophobicContact CE1-CD1 3.72Å; Y65-Y122 HydrophobicContact CE1-CE1 4.49Å; Y65-Y122 AromaticContact CE2-CD1 3.79Å; Y65-Y122 HydrophobicContact CE2-CD1 3.79Å; Y65-Y122 HydrophobicContact CE2-CE1 4.15Å; Y65-Y122 AromaticContact CZ-CD1 3.44Å; Y65-Y122 VanDerWaalsContact CZ-CD1 3.44Å; Y65-Y122 WeakPolarHBondContact O-CE1 3.33Å; Y65-Y122 VanDerWaalsContact OH-CA 3.26Å; Y65-Y122 WeakPolarHBondContact OH-CA 3.47Å; S68-Y122 VanDerWaalsContact CB-OH 3.29Å; S68-Y122 WeakPolarHBondContact CB-OH 3.18Å; S68-Y122 PolarHBondContact O-OH 3.45Å; S68-Y122 PolarHBondContact OG-OH 3.31Å; Y69-Y122 AromaticContact CD2-CD1 3.96Å; Y69-Y122 HydrophobicContact CD2-CD1 3.96Å; Y69-Y122 AromaticContact CD2-CD2 3.72Å; Y69-Y122 HydrophobicContact CD2-CD2 3.72Å; Y69-Y122 HydrophobicContact CD2-CE1 4.43Å; Y69-Y122 HydrophobicContact CD2-CE2 4.16Å; Y69-Y122 AromaticContact CD2-CG 3.6Å; Y69-Y122 HydrophobicContact CD2-CG 3.6Å; Y69-Y122 HydrophobicContact CE2-CG 4.42Å; Y69-Y122 HydrophobicContact CG-CD1 4.34Å; Y69-Y122 HydrophobicContact CG-CG 4.4Å; Y69-Y122 PolarHBondContact N-OH 3.34Å; I118-Y122 HydrophobicContact CG2-CD2 4.06Å; I118-Y122 HydrophobicContact CG2-CE2 3.94Å; I118-Y122 VanDerWaalsContact O-CD2 3.28Å; I118-Y122 WeakPolarHBondContact O-CD2 3.39Å; I118-Y122 PolarHBondContact O-N 3.33Å; H119-Y122 PolarHBondContact O-N 3.36Å; Y122-Y124 PolarHBondContact O-N 2.89Å; Y122-I125 HydrophobicContact CD1-CD1 4.02Å; Y122-I125 HydrophobicContact CG-CD1 4.33Å; Y122-I125 PolarHBondContact O-N 2.93Å
123V91.5Very high92.9Very high125 Ų12560.6 Ų60.676%0.75829%0.293SS*.THydrogen-bonded Turntrans-52.4-29-175.3-176.70000114.7Y65Y65-V123 PolarHBondContact OH-N 3.25Å
124Y92.7Very high92.9Very high99 Ų9961.3 Ų61.339%0.38830%0.3SS..THydrogen-bonded Turntrans-94.53.9-176.3-59.6-74.2000114.3F53 T54 Y55 Y65 Y122F53-Y124 WeakPolarHBondContact CA-O 3.4Å; T54-Y124 PolarHBondContact N-O 3.05Å; T54-Y124 WeakPolarHBondContact OG1-CA 3.49Å; T54-Y124 PolarHBondContact OG1-O 3.16Å; Y55-Y124 HydrophobicContact CD2-CD1 4.36Å; Y55-Y124 AromaticContact CD2-CD2 3.37Å; Y55-Y124 HydrophobicContact CD2-CD2 3.37Å; Y55-Y124 AromaticContact CD2-CE2 3.58Å; Y55-Y124 HydrophobicContact CD2-CE2 3.58Å; Y55-Y124 AromaticContact CD2-CG 3.8Å; Y55-Y124 HydrophobicContact CD2-CG 3.8Å; Y55-Y124 HydrophobicContact CE2-CD2 4.12Å; Y55-Y124 AromaticContact CE2-CE2 3.95Å; Y55-Y124 HydrophobicContact CE2-CE2 3.95Å; Y55-Y124 HydrophobicContact CG-CD2 4.18Å; Y55-Y124 HydrophobicContact CG-CG 4.32Å; Y65-Y124 HydrophobicContact CE1-CD2 4.14Å; Y65-Y124 HydrophobicContact CE1-CG 4.46Å; Y65-Y124 HydrophobicContact CE2-CD2 4.03Å; Y65-Y124 AromaticContact CZ-CD2 3.62Å; Y65-Y124 WeakPolarHBondContact OH-CD2 3.3Å; Y65-Y124 PolarHBondContact OH-N 2.95Å; Y65-Y124 VanDerWaalsContact OH-N 3.17Å; Y122-Y124 PolarHBondContact O-N 2.89Å
125I92.2Very high92.8Very high5 Ų562 Ų623%0.02630%0.304CS..EExtended strand (participates in β ladder)trans-116.8115174.9-59.1171.8000106.3D52 F53 Y65 Y66 Y69 H119 Y122 I127D52-I125 WeakPolarHBondContact O-CA 3.26Å; F53-I125 HydrophobicContact CD1-CG1 4.21Å; F53-I125 HydrophobicContact CD1-CG2 4.19Å; F53-I125 HydrophobicContact CE1-CG2 3.92Å; Y65-I125 HydrophobicContact CE1-CD1 4.11Å; Y65-I125 HydrophobicContact CE1-CG1 4.04Å; Y66-I125 HydrophobicContact CD1-CD1 3.81Å; Y66-I125 HydrophobicContact CD1-CG1 4.05Å; Y66-I125 HydrophobicContact CE1-CD1 4.15Å; Y66-I125 HydrophobicContact CE1-CG1 3.85Å; Y69-I125 HydrophobicContact CD1-CD1 3.83Å; Y69-I125 HydrophobicContact CD2-CD1 3.58Å; Y69-I125 HydrophobicContact CE1-CD1 4.26Å; Y69-I125 HydrophobicContact CE1-CG2 4.49Å; Y69-I125 HydrophobicContact CE2-CD1 4.01Å; Y69-I125 HydrophobicContact CE2-CG2 4.37Å; Y69-I125 HydrophobicContact CG-CD1 3.46Å; Y69-I125 VanDerWaalsContact CG-CD1 3.46Å; H119-I125 PolarHBondContact CE1-O 3.23Å; Y122-I125 HydrophobicContact CD1-CD1 4.02Å; Y122-I125 HydrophobicContact CG-CD1 4.33Å; Y122-I125 PolarHBondContact O-N 2.93Å; I125-I127 HydrophobicContact CG2-CD1 3.69Å; I125-I127 HydrophobicContact CG2-CG1 3.86Å
126N93.1Very high92.7Very high93 Ų9360.1 Ų60.150%0.49730%0.298SS..EExtended strand (participates in β ladder)trans-115.1113.7175-169.8-21.2000108.5G51 D52G51-N126 CarbonylContact C-O 3.58Å; G51-N126 WeakPolarHBondContact CA-O 3.43Å; D52-N126 HydrophobicContact CB-CB 4.26Å; D52-N126 PolarHBondContact N-O 3.17Å; D52-N126 PolarHBondContact O-N 3.07Å
127I92.9Very high92.7Very high7 Ų755.3 Ų55.34%0.03628%0.282CS..EExtended strand (participates in β ladder)trans-142.9122.7179.8-55.9174.1000106.3L45 F53 H119 I125 V131 I132L45-I127 HydrophobicContact CD1-CD1 4.25Å; F53-I127 HydrophobicContact CE1-CD1 4.17Å; F53-I127 HydrophobicContact CZ-CD1 3.88Å; F53-I127 HydrophobicContact CZ-CG1 4.42Å; H119-I127 PolarHBondContact CE1-N 3.31Å; H119-I127 PolarHBondContact NE2-N 2.86Å; H119-I127 PolarHBondContact NE2-O 2.88Å; H119-I127 VanDerWaalsContact NE2-O 3.07Å; I125-I127 HydrophobicContact CG2-CD1 3.69Å; I125-I127 HydrophobicContact CG2-CG1 3.86Å; I127-V131 HydrophobicContact CG2-CB 3.67Å; I127-V131 HydrophobicContact CG2-CG1 3.58Å; I127-I132 HydrophobicContact CB-CD1 4.08Å; I127-I132 HydrophobicContact CB-CG1 4.13Å; I127-I132 HydrophobicContact CG2-CD1 4.17Å; I127-I132 HydrophobicContact CG2-CG1 3.69Å
128D93.1Very high92.7Very high83 Ų8358.9 Ų58.944%0.44430%0.295SS..  trans-59.2148179.6-70.2-27.6000111.6W130 V131 I132D128-W130 VanDerWaalsContact CB-CD1 3.43Å; D128-W130 HydrophobicContact CB-CG 4.36Å; D128-W130 PolarHBondContact O-N 3.01Å; D128-W130 VanDerWaalsContact O-N 3.17Å; D128-W130 PolarHBondContact OD2-NE1 3.01Å; D128-V131 HydrophobicContact CB-CG2 4.15Å; D128-V131 WeakPolarHBondContact O-CB 3.48Å; D128-V131 PolarHBondContact O-N 3.17Å; D128-I132 PolarHBondContact O-N 3.11Å; D128-I132 VanDerWaalsContact O-N 3.11Å
129F94.3Very high92.7Very high76 Ų7663.6 Ų63.633%0.33332%0.32SS..Hα-helixtrans-52-42.3178.4179.8-102.2000112.8T111 Y115 V131 I132 M133T111-F129 HydrophobicContact CG2-CE2 3.95Å; T111-F129 HydrophobicContact CG2-CZ 3.99Å; Y115-F129 AromaticContact CD1-CD2 4Å; Y115-F129 HydrophobicContact CD1-CD2 4Å; Y115-F129 HydrophobicContact CD2-CB 4.05Å; Y115-F129 AromaticContact CD2-CD2 3.71Å; Y115-F129 HydrophobicContact CD2-CD2 3.71Å; Y115-F129 HydrophobicContact CD2-CG 4.4Å; Y115-F129 HydrophobicContact CE2-CB 3.84Å; Y115-F129 HydrophobicContact CE2-CD2 4.32Å; Y115-F129 AromaticContact CG-CD2 3.52Å; Y115-F129 HydrophobicContact CG-CD2 3.52Å; Y115-F129 HydrophobicContact CG-CE2 4.24Å; F129-V131 VanDerWaalsContact C-N 3.29Å; F129-V131 PolarHBondContact O-N 3.31Å; F129-I132 PolarHBondContact O-N 3.39Å; F129-M133 WeakPolarHBondContact O-CB 3.34Å; F129-M133 PolarHBondContact O-N 2.88Å
130W95.7Very high92.5Very high129 Ų12964.9 Ų64.949%0.48932%0.324SS..Hα-helixtrans-66.5-31.1-179.275.9-93.6000112.4L50 D128 M133 V134L50-W130 HydrophobicContact CD2-CH2 3.47Å; L50-W130 VanDerWaalsContact CD2-CH2 3.47Å; L50-W130 HydrophobicContact CD2-CZ2 3.55Å; D128-W130 VanDerWaalsContact CB-CD1 3.43Å; D128-W130 HydrophobicContact CB-CG 4.36Å; D128-W130 PolarHBondContact O-N 3.01Å; D128-W130 VanDerWaalsContact O-N 3.17Å; D128-W130 PolarHBondContact OD2-NE1 3.01Å; W130-M133 WeakPolarHBondContact O-CB 3.43Å; W130-V134 HydrophobicContact CE3-CG2 4.21Å; W130-V134 HydrophobicContact CZ3-CG2 4.44Å; W130-V134 WeakPolarHBondContact O-CG2 3.44Å; W130-V134 PolarHBondContact O-N 2.89Å
131V94.9Very high92.5Very high4 Ų464.7 Ų64.72%0.02433%0.327CS..Hα-helixtrans-71.1-45.2175.9177.90000109.7L45 L50 I127 D128 F129 M133 V134 I135L45-V131 HydrophobicContact CD2-CG1 3.63Å; L50-V131 HydrophobicContact CB-CG1 4.06Å; L50-V131 HydrophobicContact CB-CG2 4.05Å; L50-V131 HydrophobicContact CD2-CG2 4.06Å; I127-V131 HydrophobicContact CG2-CB 3.67Å; I127-V131 HydrophobicContact CG2-CG1 3.58Å; D128-V131 HydrophobicContact CB-CG2 4.15Å; D128-V131 WeakPolarHBondContact O-CB 3.48Å; D128-V131 PolarHBondContact O-N 3.17Å; F129-V131 VanDerWaalsContact C-N 3.29Å; F129-V131 PolarHBondContact O-N 3.31Å; V131-M133 VanDerWaalsContact C-N 3.27Å; V131-M133 PolarHBondContact O-N 2.97Å; V131-V134 PolarHBondContact O-N 2.95Å; V131-V134 VanDerWaalsContact O-N 3.17Å; V131-I135 HydrophobicContact CG1-CD1 3.9Å; V131-I135 HydrophobicContact CG1-CG1 4.45Å; V131-I135 VanDerWaalsContact O-CG1 3.31Å; V131-I135 WeakPolarHBondContact O-CG1 3.31Å; V131-I135 PolarHBondContact O-N 3.05Å
132I93.8Very high92.4Very high5 Ų560.7 Ų60.73%0.02631%0.308CS..Hα-helixtrans-58.8-43.4174.7-72.4162.9000110.4T111 F114 Y115 H119 I127 D128 F129 V134 I135 I136T111-I132 HydrophobicContact CG2-CG2 4.24Å; F114-I132 HydrophobicContact CD1-CG2 3.72Å; F114-I132 HydrophobicContact CE1-CD1 4.36Å; F114-I132 HydrophobicContact CE1-CG2 4.03Å; Y115-I132 HydrophobicContact CD2-CD1 3.62Å; Y115-I132 HydrophobicContact CE2-CD1 4.14Å; H119-I132 HydrophobicContact CB-CD1 4.11Å; I127-I132 HydrophobicContact CB-CD1 4.08Å; I127-I132 HydrophobicContact CB-CG1 4.13Å; I127-I132 HydrophobicContact CG2-CD1 4.17Å; I127-I132 HydrophobicContact CG2-CG1 3.69Å; D128-I132 PolarHBondContact O-N 3.11Å; D128-I132 VanDerWaalsContact O-N 3.11Å; F129-I132 PolarHBondContact O-N 3.39Å; I132-V134 PolarHBondContact O-N 3.48Å; I132-I135 PolarHBondContact O-N 3.11Å; I132-I136 HydrophobicContact CG2-CD1 3.61Å; I132-I136 HydrophobicContact CG2-CG1 4.21Å; I132-I136 WeakPolarHBondContact O-CB 3.41Å; I132-I136 WeakPolarHBondContact O-CG1 3.11Å; I132-I136 PolarHBondContact O-N 2.92Å
133M95.8Very high92Very high73 Ų7362.4 Ų62.436%0.3632%0.316SS..Hα-helixtrans-55.2-50.9174.3-178.9-175.474.400111.1Y107 T111 F129 W130 V131 I135 I136 G137Y107-M133 HydrophobicContact CE1-CG 4.46Å; Y107-M133 WeakPolarHBondContact OH-CG 3.34Å; Y107-M133 PolarHBondContact OH-O 2.6Å; T111-M133 HydrophobicContact CG2-CB 3.91Å; T111-M133 HydrophobicContact CG2-CG 4.39Å; F129-M133 WeakPolarHBondContact O-CB 3.34Å; F129-M133 PolarHBondContact O-N 2.88Å; W130-M133 WeakPolarHBondContact O-CB 3.43Å; V131-M133 VanDerWaalsContact C-N 3.27Å; V131-M133 PolarHBondContact O-N 2.97Å; M133-I135 PolarHBondContact O-N 3.38Å; M133-I136 PolarHBondContact O-N 3.42Å; M133-G137 PolarHBondContact O-N 3.23Å
134V95Very high91.5Very high81 Ų8160 Ų6049%0.49130%0.298SS..Hα-helixtrans-60.9-43.8177.6170.30000112.2W130 V131 I132 G137 F138W130-V134 HydrophobicContact CE3-CG2 4.21Å; W130-V134 HydrophobicContact CZ3-CG2 4.44Å; W130-V134 WeakPolarHBondContact O-CG2 3.44Å; W130-V134 PolarHBondContact O-N 2.89Å; V131-V134 PolarHBondContact O-N 2.95Å; V131-V134 VanDerWaalsContact O-N 3.17Å; I132-V134 PolarHBondContact O-N 3.48Å; V134-G137 PolarHBondContact O-N 3.37Å; V134-F138 WeakPolarHBondContact O-CB 3.34Å; V134-F138 PolarHBondContact O-N 3.25Å
135I92.8Very high90.9Very high35 Ų3562.4 Ų62.418%0.17931%0.313CS..Hα-helixtrans-63.4-52.4179.7-65.8165.2000110.6L41 L45 V131 I132 M133 G137 F138 L139L41-I135 HydrophobicContact CD2-CG2 4.16Å; L45-I135 HydrophobicContact CD1-CD1 3.98Å; L45-I135 HydrophobicContact CD2-CD1 4.04Å; V131-I135 HydrophobicContact CG1-CD1 3.9Å; V131-I135 HydrophobicContact CG1-CG1 4.45Å; V131-I135 VanDerWaalsContact O-CG1 3.31Å; V131-I135 WeakPolarHBondContact O-CG1 3.31Å; V131-I135 PolarHBondContact O-N 3.05Å; I132-I135 PolarHBondContact O-N 3.11Å; M133-I135 PolarHBondContact O-N 3.38Å; I135-G137 VanDerWaalsContact C-N 3.28Å; I135-G137 PolarHBondContact O-N 3.09Å; I135-F138 PolarHBondContact O-N 3.16Å; I135-L139 HydrophobicContact CG2-CD1 4.12Å; I135-L139 WeakPolarHBondContact O-CG 3.48Å; I135-L139 PolarHBondContact O-N 2.9Å
136I92.6Very high90.2Very high12 Ų1269.4 Ų69.46%0.06234%0.344CS..Hα-helixtrans-63.7-38.6-179.9-65.9177.6000110Y107 T111 F114 I132 M133 L139 Y140Y107-I136 HydrophobicContact CD2-CG2 3.95Å; Y107-I136 HydrophobicContact CE2-CB 4.25Å; Y107-I136 HydrophobicContact CE2-CG2 3.98Å; T111-I136 HydrophobicContact CG2-CD1 4.36Å; F114-I136 HydrophobicContact CB-CD1 3.99Å; F114-I136 HydrophobicContact CD1-CD1 4.17Å; F114-I136 HydrophobicContact CD2-CD1 4.15Å; F114-I136 HydrophobicContact CG-CD1 3.86Å; I132-I136 HydrophobicContact CG2-CD1 3.61Å; I132-I136 HydrophobicContact CG2-CG1 4.21Å; I132-I136 WeakPolarHBondContact O-CB 3.41Å; I132-I136 WeakPolarHBondContact O-CG1 3.11Å; I132-I136 PolarHBondContact O-N 2.92Å; M133-I136 PolarHBondContact O-N 3.42Å; I136-L139 PolarHBondContact O-N 3.48Å; I136-Y140 VanDerWaalsContact O-CB 3.3Å; I136-Y140 WeakPolarHBondContact O-CB 3.43Å; I136-Y140 PolarHBondContact O-N 3.2Å
137G93.2Very high89.2Confident17 Ų1773.6 Ų73.618%0.17535%0.354CS..Hα-helixtrans-62.6-44.3177.900000111.8Y107 M133 V134 I135 Y140 V141Y107-G137 VanDerWaalsContact CE2-N 3.34Å; M133-G137 PolarHBondContact O-N 3.23Å; V134-G137 PolarHBondContact O-N 3.37Å; I135-G137 VanDerWaalsContact C-N 3.28Å; I135-G137 PolarHBondContact O-N 3.09Å; G137-Y140 WeakPolarHBondContact O-CB 3.38Å; G137-Y140 PolarHBondContact O-N 3.05Å; G137-V141 WeakPolarHBondContact O-CG2 3.45Å; G137-V141 PolarHBondContact O-N 2.95Å
138F91.8Very high88.1Confident138 Ų13877.7 Ų77.761%0.60538%0.381SS*.Hα-helixtrans-60.8-48.3173.5176.9-101.7000111.8V134 I135 Y140 V141 C142V134-F138 WeakPolarHBondContact O-CB 3.34Å; V134-F138 PolarHBondContact O-N 3.25Å; I135-F138 PolarHBondContact O-N 3.16Å; F138-Y140 PolarHBondContact O-N 2.91Å; F138-V141 PolarHBondContact O-N 3.19Å; F138-C142 PolarHBondContact O-N 3.23Å; F138-C142 PolarHBondContact O-SG 3.38Å; F138-C142 VanDerWaalsContact O-SG 3.36Å
139L89Confident86.7Confident100 Ų10078.9 Ų78.952%0.52438%0.384SS..Hα-helixtrans-59.5-37.3176.8-69.4174.1000112I135 I136 C142 K143I135-L139 HydrophobicContact CG2-CD1 4.12Å; I135-L139 WeakPolarHBondContact O-CG 3.48Å; I135-L139 PolarHBondContact O-N 2.9Å; I136-L139 PolarHBondContact O-N 3.48Å; L139-C142 WeakPolarHBondContact O-CB 3.3Å; L139-C142 PolarHBondContact O-N 3.43Å; L139-K143 WeakPolarHBondContact O-CB 3.03Å; L139-K143 PolarHBondContact O-N 2.89Å
140Y87.9Confident85Confident38 Ų3880.9 Ų80.915%0.14941%0.407CS..Hα-helixtrans-66.4-43.1177.1-163.6-91.4000112.2H103 I136 G137 F138 K143 L144H103-Y140 WeakPolarHBondContact CA-OH 3.4Å; H103-Y140 HydrophobicContact CB-CE1 3.78Å; H103-Y140 WeakPolarHBondContact CB-OH 3.49Å; H103-Y140 AromaticContact ND1-CE1 4Å; H103-Y140 AromaticContact ND1-CZ 3.77Å; H103-Y140 PolarHBondContact ND1-OH 2.96Å; I136-Y140 VanDerWaalsContact O-CB 3.3Å; I136-Y140 WeakPolarHBondContact O-CB 3.43Å; I136-Y140 PolarHBondContact O-N 3.2Å; G137-Y140 WeakPolarHBondContact O-CB 3.38Å; G137-Y140 PolarHBondContact O-N 3.05Å; F138-Y140 PolarHBondContact O-N 2.91Å; Y140-K143 WeakPolarHBondContact O-CB 3.31Å; Y140-K143 PolarHBondContact O-N 2.81Å; Y140-L144 HydrophobicContact CD1-CD1 3.87Å; Y140-L144 HydrophobicContact CD1-CG 4.16Å; Y140-L144 HydrophobicContact CE1-CD1 3.7Å; Y140-L144 HydrophobicContact CE1-CD2 4.3Å; Y140-L144 HydrophobicContact CE1-CG 3.94Å; Y140-L144 PolarHBondContact O-N 2.81Å
141V88Confident82.9Confident93 Ų9383.5 Ų83.556%0.56442%0.422SS*.Hα-helixtrans-62.3-44.7173.9171.70000110.8G137 F138 K143 L144 Q145G137-V141 WeakPolarHBondContact O-CG2 3.45Å; G137-V141 PolarHBondContact O-N 2.95Å; F138-V141 PolarHBondContact O-N 3.19Å; V141-K143 VanDerWaalsContact C-N 3.28Å; V141-K143 PolarHBondContact O-N 2.88Å; V141-L144 PolarHBondContact O-N 3.28Å; V141-Q145 PolarHBondContact O-N 3.32Å
142C86.8Confident81Confident33 Ų3389.3 Ų89.322%0.22345%0.453CS..Hα-helixtrans-56.7-45173.9-68.40000111.1F138 L139 L144 Q145 F146F138-C142 PolarHBondContact O-N 3.23Å; F138-C142 PolarHBondContact O-SG 3.38Å; F138-C142 VanDerWaalsContact O-SG 3.36Å; L139-C142 WeakPolarHBondContact O-CB 3.3Å; L139-C142 PolarHBondContact O-N 3.43Å; C142-L144 PolarHBondContact O-N 2.96Å; C142-Q145 PolarHBondContact O-N 3.35Å; C142-F146 HydrophobicContact CB-CD2 4.08Å; C142-F146 HydrophobicContact CB-CE2 4.18Å; C142-F146 WeakPolarHBondContact O-CB 3.23Å; C142-F146 WeakPolarHBondContact O-CD2 3.29Å; C142-F146 PolarHBondContact O-N 3.5Å
143K84Confident79.3Confident64 Ų6496.8 Ų96.828%0.27849%0.492SS..Hα-helixtrans-59.2-48.6177.1-176.7-163.7169.2-1610111.9E81 L139 Y140 V141 Q145 F146 Y147E81-K143 IonicContact OE1-NZ 3.78Å; E81-K143 PolarHBondContact OE1-NZ 3.14Å; E81-K143 IonicContact OE2-NZ 3.36Å; E81-K143 PolarHBondContact OE2-NZ 3.41Å; L139-K143 WeakPolarHBondContact O-CB 3.03Å; L139-K143 PolarHBondContact O-N 2.89Å; Y140-K143 WeakPolarHBondContact O-CB 3.31Å; Y140-K143 PolarHBondContact O-N 2.81Å; V141-K143 VanDerWaalsContact C-N 3.28Å; V141-K143 PolarHBondContact O-N 2.88Å; K143-Q145 PolarHBondContact O-N 3.18Å; K143-F146 PolarHBondContact O-N 3.15Å; K143-Y147 CarbonylContact O-C 3.41Å; K143-Y147 WeakPolarHBondContact O-CA 3.45Å; K143-Y147 WeakPolarHBondContact O-CB 3.46Å; K143-Y147 PolarHBondContact O-N 2.82Å
144L81.4Confident77.6Confident75 Ų7598.2 Ų98.239%0.39350%0.501SS..Hα-helixtrans-58.2-37.5178.5-74.2173.8000112.4Y140 V141 C142Y140-L144 HydrophobicContact CD1-CD1 3.87Å; Y140-L144 HydrophobicContact CD1-CG 4.16Å; Y140-L144 HydrophobicContact CE1-CD1 3.7Å; Y140-L144 HydrophobicContact CE1-CD2 4.3Å; Y140-L144 HydrophobicContact CE1-CG 3.94Å; Y140-L144 PolarHBondContact O-N 2.81Å; V141-L144 PolarHBondContact O-N 3.28Å; C142-L144 PolarHBondContact O-N 2.96Å
145Q80Confident75.9Confident150 Ų150101.6 Ų101.670%0.70152%0.517SS*.Hα-helixtrans-77.7-42.7-178.2-171.262.721.500113V141 C142 K143V141-Q145 PolarHBondContact O-N 3.32Å; C142-Q145 PolarHBondContact O-N 3.35Å; K143-Q145 PolarHBondContact O-N 3.18Å
146F78.2Confident74.1Confident152 Ų152110.2 Ų110.267%0.66755%0.547SS*.Hα-helixtrans-89.1-25.8-175.1-66.6-61.6000113.5C142 K143 P148C142-F146 HydrophobicContact CB-CD2 4.08Å; C142-F146 HydrophobicContact CB-CE2 4.18Å; C142-F146 WeakPolarHBondContact O-CB 3.23Å; C142-F146 WeakPolarHBondContact O-CD2 3.29Å; C142-F146 PolarHBondContact O-N 3.5Å; K143-F146 PolarHBondContact O-N 3.15Å; F146-P148 VanDerWaalsContact C-CD 3.45Å
147Y72.5Confident71.7Confident180 Ų180122.8 Ų122.871%0.70660%0.601SS**SBendtrans-128.266.3-179.4-58.7-84.9000109.7K143K143-Y147 CarbonylContact O-C 3.41Å; K143-Y147 WeakPolarHBondContact O-CA 3.45Å; K143-Y147 WeakPolarHBondContact O-CB 3.46Å; K143-Y147 PolarHBondContact O-N 2.82Å
148P68.7Low70.6Confident93 Ų93128.1 Ų128.160%0.60462%0.622SS**  trans-58.4147.2176.325.8-33.7000109.8F146 S150F146-P148 VanDerWaalsContact C-CD 3.45Å; P148-S150 PolarHBondContact O-N 3.05Å
149E64.8Low69.5Low108 Ų108127.6 Ų127.651%0.50562%0.623SS.*  trans-47.3132.7174.2-72.1-164.8169.400109.2R88 K151R88-E149 IonicContact CZ-OE1 3.91Å; R88-E149 IonicContact CZ-OE2 3.77Å; R88-E149 IonicContact NH1-OE1 3.72Å; R88-E149 PolarHBondContact NH1-OE1 3.01Å; R88-E149 IonicContact NH1-OE2 3.99Å; R88-E149 IonicContact NH2-OE1 3.85Å; R88-E149 IonicContact NH2-OE2 2.87Å; R88-E149 PolarHBondContact NH2-OE2 2.82Å; E149-K151 PolarHBondContact O-N 3.37Å
150S58.3Low68.4Low118 Ų118129.1 Ų129.183%0.82563%0.629SS**  trans-58102.3178.357.80000108.4P148 N152P148-S150 PolarHBondContact O-N 3.05Å; S150-N152 PolarHBondContact O-N 3.25Å
151K51.7Low67.3Low185 Ų185134.5 Ų134.580%0.80466%0.657SS**  trans-54.8128.7165-87-176.5176.9177.30106.2E149 L153E149-K151 PolarHBondContact O-N 3.37Å; K151-L153 VanDerWaalsContact C-N 3.34Å; K151-L153 PolarHBondContact O-N 2.92Å
152N54.9Low66Low125 Ų125137.1 Ų137.167%0.66866%0.663SS**  trans-60101.1172.9-170.91000107.8S150 N154S150-N152 PolarHBondContact O-N 3.25Å; N152-N154 PolarHBondContact O-N 3.48Å; N152-N154 WeakPolarHBondContact OD1-CB 3.28Å; N152-N154 PolarHBondContact OD1-N 3.49Å
153L57.9Low64.6Low162 Ų162144 Ų14485%0.84869%0.692SS**  trans-69-17.7-178.9-69.3171.3000111.6K151 N155K151-L153 VanDerWaalsContact C-N 3.34Å; K151-L153 PolarHBondContact O-N 2.92Å; L153-N155 PolarHBondContact O-N 3.16Å
154N60.6Low63.2Low104 Ų104149.7 Ų149.756%0.55672%0.722SS**  trans-73.983.3166.2-96.5-21000108.8N152 R156N152-N154 PolarHBondContact O-N 3.48Å; N152-N154 WeakPolarHBondContact OD1-CB 3.28Å; N152-N154 PolarHBondContact OD1-N 3.49Å; N154-R156 PolarHBondContact O-N 3.47Å
155N58.7Low61.8Low152 Ų152155.5 Ų155.581%0.81375%0.747SS**  trans-66.452.5161.9-82.7-16.9000111.1L153 K157L153-N155 PolarHBondContact O-N 3.16Å; N155-K157 PolarHBondContact O-N 3.05Å
156R54.3Low60.3Low216 Ų216155.9 Ų155.982%0.81575%0.751SS**  trans-89.180.6166.1-62.5-163.5-161.1-1606.1108.2N154N154-R156 PolarHBondContact O-N 3.47Å
157K42.9Very low58.7Low276 Ų276156.3 Ų156.3100%1.276%0.759SS**  trans-97.60141-82.4-171.2175.9-174.50106.4N155N155-K157 PolarHBondContact O-N 3.05Å

Retrieved 157 of 157 residues in 105.5 ms (Link to these results)

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