MDEP_STAAU Loading...

Multidrug resistance efflux pump SepA

Involved in multidrug efflux. Confers low level resistance to drugs such as acriflavine, benzalkonium chloride, chlorhexidine gluconate and ethidium bromide.

AlphaFold DB (Q2FW84), UniProt , Accession Q99S98, Species STAAU (Staphylococcus aureus), 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 429.6 ms (Link to these results)

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