A0A087Y9R1_POEFO Loading...

DnaJ homolog subfamily B member 9

Co-chaperone for Hsp70 protein HSPA5/BiP that acts as a key repressor of the ERN1/IRE1-mediated unfolded protein response (UPR). J domain-containing co-chaperones stimulate the ATPase activity of Hsp70 proteins and are required for efficient substrate recognition by Hsp70 proteins. In the unstressed endoplasmic reticulum, interacts with the luminal region of ERN1/IRE1 and selectively recruits HSPA5/BiP: HSPA5/BiP disrupts the dimerization of the active ERN1/IRE1 luminal region, thereby inactivating ERN1/IRE1. Also involved in endoplasmic reticulum-associated degradation (ERAD) of misfolded proteins. Required for survival of B-cell progenitors and normal antibody production.

AlphaFold DB , UniProt , Accession A0A087Y9R1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 226 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
1M58Low74.3Confident239 Ų239104.3 Ų104.3100%1.17760%0.602SS**  098.70-66.8-170-86.800107.3T3M1-T3 PolarHBondContact O-N 3.34Å
2A54.9Low75.3Confident68 Ų68101.8 Ų101.856%0.56259%0.59SS**  trans-67.3123.2176.600000108.1M7A2-M7 HydrophobicContact CB-CE 4.06Å
3T77.1Confident75.6Confident88 Ų88102.8 Ų102.854%0.5459%0.586SS.*  trans-64.1144.6179.554.70000109.1M1 Q5 S6 M7M1-T3 PolarHBondContact O-N 3.34Å; T3-Q5 PolarHBondContact O-N 3.19Å; T3-S6 WeakPolarHBondContact O-CB 3.49Å; T3-S6 PolarHBondContact O-N 2.99Å; T3-M7 PolarHBondContact O-N 2.83Å
4A72.2Confident76.2Confident78 Ų78102.9 Ų102.965%0.64558%0.582SS**Hα-helixtrans-53.4-27.2-179.600000112.9L8A4-L8 WeakPolarHBondContact O-CG 3.44Å; A4-L8 PolarHBondContact O-N 3.42Å
5Q73.8Confident76.3Confident151 Ų151103.5 Ų103.571%0.70658%0.582SS**Hα-helixtrans-66.9-37.3173.5-67.8177.2-53.300113.3T3 L8 L9T3-Q5 PolarHBondContact O-N 3.19Å; Q5-L8 PolarHBondContact O-N 3.36Å; Q5-L9 WeakPolarHBondContact O-CG 3.3Å; Q5-L9 PolarHBondContact O-N 3.06Å; Q5-L9 VanDerWaalsContact O-N 3.07Å
6S75Confident75.8Confident56 Ų56102.9 Ų102.939%0.39258%0.576SS.*Hα-helixtrans-69.2-36.2177.7-177.80000111.8T3 L9 V10T3-S6 WeakPolarHBondContact O-CB 3.49Å; T3-S6 PolarHBondContact O-N 2.99Å; S6-L9 PolarHBondContact O-N 3.47Å; S6-V10 VanDerWaalsContact O-CG2 3.3Å; S6-V10 WeakPolarHBondContact O-CG2 3.35Å; S6-V10 PolarHBondContact O-N 3.07Å
7M78.7Confident75.4Confident121 Ų121102.6 Ų102.660%0.59657%0.572SS**Hα-helixtrans-68.1-38175.4-69.7-63.7-163.900112.4A2 T3 V10 A11A2-M7 HydrophobicContact CB-CE 4.06Å; T3-M7 PolarHBondContact O-N 2.83Å; M7-V10 PolarHBondContact O-N 3.49Å; M7-A11 VanDerWaalsContact O-CB 3.32Å; M7-A11 WeakPolarHBondContact O-CB 3.4Å; M7-A11 PolarHBondContact O-N 2.85Å
8L80.1Confident74.8Confident115 Ų115100.1 Ų100.160%0.60256%0.562SS**Hα-helixtrans-67.3-40.5175.4-76.3169000112.1A4 Q5 A11 V12A4-L8 WeakPolarHBondContact O-CG 3.44Å; A4-L8 PolarHBondContact O-N 3.42Å; Q5-L8 PolarHBondContact O-N 3.36Å; L8-A11 PolarHBondContact O-N 3.33Å; L8-V12 WeakPolarHBondContact O-CB 3.32Å; L8-V12 VanDerWaalsContact O-CG2 3.23Å; L8-V12 WeakPolarHBondContact O-CG2 3.23Å; L8-V12 PolarHBondContact O-N 2.92Å
9L80.8Confident74Confident111 Ų111101.9 Ų101.958%0.58157%0.566SS**Hα-helixtrans-65.3-40.6176.1-70.7173.4000112Q5 S6 H13Q5-L9 WeakPolarHBondContact O-CG 3.3Å; Q5-L9 PolarHBondContact O-N 3.06Å; Q5-L9 VanDerWaalsContact O-N 3.07Å; S6-L9 PolarHBondContact O-N 3.47Å; L9-H13 WeakPolarHBondContact O-CB 3.35Å; L9-H13 PolarHBondContact O-CD2 2.78Å; L9-H13 PolarHBondContact O-N 3.16Å
10V83.8Confident73.1Confident76 Ų76103.2 Ų103.246%0.46157%0.566SS.*Hα-helixtrans-65.9-41.8174.9172.70000111S6 M7 H13 I14S6-V10 VanDerWaalsContact O-CG2 3.3Å; S6-V10 WeakPolarHBondContact O-CG2 3.35Å; S6-V10 PolarHBondContact O-N 3.07Å; M7-V10 PolarHBondContact O-N 3.49Å; V10-H13 PolarHBondContact O-N 2.85Å; V10-I14 HydrophobicContact CG1-CD1 3.73Å; V10-I14 HydrophobicContact CG1-CG1 4.39Å; V10-I14 WeakPolarHBondContact O-CB 3.07Å; V10-I14 VanDerWaalsContact O-CG1 3.23Å; V10-I14 WeakPolarHBondContact O-CG1 3.26Å; V10-I14 PolarHBondContact O-N 3.44Å
11A82.8Confident72.4Confident44 Ų44102.8 Ų102.836%0.36456%0.562SS.*Hα-helixtrans-64.9-42.7176.600000112.5M7 L8 H13 I14 L15M7-A11 VanDerWaalsContact O-CB 3.32Å; M7-A11 WeakPolarHBondContact O-CB 3.4Å; M7-A11 PolarHBondContact O-N 2.85Å; L8-A11 PolarHBondContact O-N 3.33Å; A11-H13 VanDerWaalsContact C-N 3.35Å; A11-I14 PolarHBondContact O-N 3.34Å; A11-L15 WeakPolarHBondContact O-CB 3.19Å; A11-L15 VanDerWaalsContact O-CG 3.27Å; A11-L15 WeakPolarHBondContact O-CG 3.33Å; A11-L15 PolarHBondContact O-N 2.85Å
12V85.9Confident72.2Confident75 Ų7598.2 Ų98.246%0.45554%0.541SS..Hα-helixtrans-64.9-39.9174.8171.50000110.6L8 L15 L16L8-V12 WeakPolarHBondContact O-CB 3.32Å; L8-V12 VanDerWaalsContact O-CG2 3.23Å; L8-V12 WeakPolarHBondContact O-CG2 3.23Å; L8-V12 PolarHBondContact O-N 2.92Å; V12-L15 PolarHBondContact O-N 3.48Å; V12-L16 HydrophobicContact CG1-CD1 3.78Å; V12-L16 HydrophobicContact CG1-CG 4.24Å; V12-L16 WeakPolarHBondContact O-CB 3.23Å; V12-L16 WeakPolarHBondContact O-CG 3.49Å; V12-L16 PolarHBondContact O-N 2.86Å
13H80.2Confident72Confident115 Ų11598.9 Ų98.953%0.53255%0.547SS..Hα-helixtrans-63.7-42.7173.1-83.5-52.6000112.7L9 V10 A11 L15 L16 I17L9-H13 WeakPolarHBondContact O-CB 3.35Å; L9-H13 PolarHBondContact O-CD2 2.78Å; L9-H13 PolarHBondContact O-N 3.16Å; V10-H13 PolarHBondContact O-N 2.85Å; A11-H13 VanDerWaalsContact C-N 3.35Å; H13-L15 VanDerWaalsContact C-N 3.33Å; H13-L15 PolarHBondContact O-N 3.39Å; H13-L16 PolarHBondContact O-N 3.45Å; H13-I17 VanDerWaalsContact O-CB 3.26Å; H13-I17 WeakPolarHBondContact O-CB 3.27Å; H13-I17 VanDerWaalsContact O-CD1 3.31Å; H13-I17 WeakPolarHBondContact O-CD1 3.31Å; H13-I17 WeakPolarHBondContact O-CG1 3.44Å; H13-I17 PolarHBondContact O-N 2.9Å
14I82.8Confident71Confident104 Ų10498.9 Ų98.953%0.53354%0.539SS..Hα-helixtrans-63.5-41176.7-69.8165.4000110.8V10 A11 I17 S18V10-I14 HydrophobicContact CG1-CD1 3.73Å; V10-I14 HydrophobicContact CG1-CG1 4.39Å; V10-I14 WeakPolarHBondContact O-CB 3.07Å; V10-I14 VanDerWaalsContact O-CG1 3.23Å; V10-I14 WeakPolarHBondContact O-CG1 3.26Å; V10-I14 PolarHBondContact O-N 3.44Å; A11-I14 PolarHBondContact O-N 3.34Å; I14-I17 PolarHBondContact O-N 3.24Å; I14-S18 WeakPolarHBondContact O-CB 3.43Å; I14-S18 PolarHBondContact O-N 3.39Å; I14-S18 PolarHBondContact O-OG 2.95Å
15L77.6Confident70.5Confident111 Ų111102.4 Ų102.458%0.58154%0.536SS*.Hα-helixtrans-66.5-44.3176.4-70.7171.4000111.8A11 V12 H13 I17 S18 E19A11-L15 WeakPolarHBondContact O-CB 3.19Å; A11-L15 VanDerWaalsContact O-CG 3.27Å; A11-L15 WeakPolarHBondContact O-CG 3.33Å; A11-L15 PolarHBondContact O-N 2.85Å; V12-L15 PolarHBondContact O-N 3.48Å; H13-L15 VanDerWaalsContact C-N 3.33Å; H13-L15 PolarHBondContact O-N 3.39Å; L15-I17 PolarHBondContact O-N 3.31Å; L15-S18 WeakPolarHBondContact CA-OG 3.41Å; L15-S18 PolarHBondContact O-N 2.88Å; L15-S18 PolarHBondContact O-OG 2.97Å; L15-E19 PolarHBondContact O-N 2.91Å
16L69.5Low70.7Confident94 Ų9496.3 Ų96.349%0.49251%0.508SS..Hα-helixtrans-64.6-38.8174.7-71.5171.7000112.5V12 H13 S18 E19 F20V12-L16 HydrophobicContact CG1-CD1 3.78Å; V12-L16 HydrophobicContact CG1-CG 4.24Å; V12-L16 WeakPolarHBondContact O-CB 3.23Å; V12-L16 WeakPolarHBondContact O-CG 3.49Å; V12-L16 PolarHBondContact O-N 2.86Å; H13-L16 PolarHBondContact O-N 3.45Å; L16-S18 VanDerWaalsContact C-N 3.34Å; L16-E19 PolarHBondContact O-N 3Å; L16-F20 WeakPolarHBondContact O-CB 3.19Å; L16-F20 PolarHBondContact O-N 2.74Å
17I68.3Low71.1Confident98 Ų9894.4 Ų94.450%0.50349%0.493SS..Hα-helixtrans-65.3-41174.3-70.1162.6000109.8H13 I14 L15 F20 I21H13-I17 VanDerWaalsContact O-CB 3.26Å; H13-I17 WeakPolarHBondContact O-CB 3.27Å; H13-I17 VanDerWaalsContact O-CD1 3.31Å; H13-I17 WeakPolarHBondContact O-CD1 3.31Å; H13-I17 WeakPolarHBondContact O-CG1 3.44Å; H13-I17 PolarHBondContact O-N 2.9Å; I14-I17 PolarHBondContact O-N 3.24Å; L15-I17 PolarHBondContact O-N 3.31Å; I17-F20 PolarHBondContact O-N 2.87Å; I17-I21 HydrophobicContact CG2-CD1 3.79Å; I17-I21 HydrophobicContact CG2-CG1 4.41Å; I17-I21 WeakPolarHBondContact O-CG1 3.26Å; I17-I21 PolarHBondContact O-N 2.79Å
18S64.7Low71.4Confident57 Ų5789 Ų8940%0.39947%0.465SS..Hα-helixtrans-66-40.617774.30000112.7I14 L15 L16 F20 I21 L22I14-S18 WeakPolarHBondContact O-CB 3.43Å; I14-S18 PolarHBondContact O-N 3.39Å; I14-S18 PolarHBondContact O-OG 2.95Å; L15-S18 WeakPolarHBondContact CA-OG 3.41Å; L15-S18 PolarHBondContact O-N 2.88Å; L15-S18 PolarHBondContact O-OG 2.97Å; L16-S18 VanDerWaalsContact C-N 3.34Å; S18-F20 VanDerWaalsContact C-N 3.34Å; S18-I21 PolarHBondContact O-N 3.23Å; S18-L22 WeakPolarHBondContact O-CB 3.46Å; S18-L22 PolarHBondContact O-N 3.5Å
19E59.5Low71.6Confident136 Ų13688.5 Ų88.564%0.63646%0.46SS*.Hα-helixtrans-69-32.6173.6-72.3-160164.200112.1L15 L16 L22 A23L15-E19 PolarHBondContact O-N 2.91Å; L16-E19 PolarHBondContact O-N 3Å; E19-L22 PolarHBondContact O-N 3.03Å; E19-A23 WeakPolarHBondContact O-CB 3.43Å; E19-A23 PolarHBondContact O-N 2.85Å
20F56.1Low71.8Confident127 Ų12784.9 Ų84.956%0.55744%0.441SS*.Hα-helixtrans-73.9-32.7177.1-163.1-103.5000113.1L16 I17 S18 K24L16-F20 WeakPolarHBondContact O-CB 3.19Å; L16-F20 PolarHBondContact O-N 2.74Å; I17-F20 PolarHBondContact O-N 2.87Å; S18-F20 VanDerWaalsContact C-N 3.34Å; F20-K24 HydrophobicContact CD1-CD 4.35Å; F20-K24 HydrophobicContact CE1-CD 3.95Å; F20-K24 VanDerWaalsContact CE1-CE 3.43Å; F20-K24 VanDerWaalsContact CE1-NZ 3.26Å; F20-K24 HydrophobicContact CZ-CD 4.28Å; F20-K24 VanDerWaalsContact CZ-NZ 3.26Å; F20-K24 PolarHBondContact O-N 2.83Å
21I57.7Low71.8Confident94 Ų9481.6 Ų81.648%0.48242%0.421SS..Hα-helixtrans-66.3-44.6168.5-67.3164.6000109.2I17 S18 A23 K24I17-I21 HydrophobicContact CG2-CD1 3.79Å; I17-I21 HydrophobicContact CG2-CG1 4.41Å; I17-I21 WeakPolarHBondContact O-CG1 3.26Å; I17-I21 PolarHBondContact O-N 2.79Å; S18-I21 PolarHBondContact O-N 3.23Å; I21-A23 VanDerWaalsContact C-N 3.33Å; I21-A23 PolarHBondContact O-N 2.86Å; I21-K24 PolarHBondContact O-N 3.44Å
22L54.8Low71.9Confident144 Ų14482.5 Ų82.575%0.75444%0.435SS*.Hα-helixtrans-68.5-28.8178.7-151.678.5000113.5S18 E19S18-L22 WeakPolarHBondContact O-CB 3.46Å; S18-L22 PolarHBondContact O-N 3.5Å; E19-L22 PolarHBondContact O-N 3.03Å
23A51.7Low71.9Confident81 Ų8180.6 Ų80.667%0.66942%0.422SS*.THydrogen-bonded Turntrans-83.5-10.9-178.900000113.9E19 I21E19-A23 WeakPolarHBondContact O-CB 3.43Å; E19-A23 PolarHBondContact O-N 2.85Å; I21-A23 VanDerWaalsContact C-N 3.33Å; I21-A23 PolarHBondContact O-N 2.86Å
24K54.5Low72.1Confident89 Ų8978.3 Ų78.339%0.38742%0.417SS..SBendtrans-11294.5174.6-72.1-175.7174.3-1740108.4F20 I21 D26F20-K24 HydrophobicContact CD1-CD 4.35Å; F20-K24 HydrophobicContact CE1-CD 3.95Å; F20-K24 VanDerWaalsContact CE1-CE 3.43Å; F20-K24 VanDerWaalsContact CE1-NZ 3.26Å; F20-K24 HydrophobicContact CZ-CD 4.28Å; F20-K24 VanDerWaalsContact CZ-NZ 3.26Å; F20-K24 PolarHBondContact O-N 2.83Å; I21-K24 PolarHBondContact O-N 3.44Å; K24-D26 PolarHBondContact O-N 3.01Å
25R61.4Low72Confident151 Ų15180.8 Ų80.857%0.5742%0.42SS*.  trans-61.395.8177.1-70.4179.4171.6160.3-12.1109.8I30 E69 H91R25-I30 HydrophobicContact CB-CD1 3.97Å; R25-I30 HydrophobicContact CB-CG1 4.21Å; R25-E69 IonicContact CZ-OE1 2.71Å; R25-E69 IonicContact CZ-OE2 3.68Å; R25-E69 IonicContact NE-OE2 3.99Å; R25-E69 VanDerWaalsContact NH1-CD 3.31Å; R25-E69 IonicContact NH1-OE1 3.66Å; R25-E69 PolarHBondContact NH1-OE1 2.96Å; R25-E69 IonicContact NH1-OE2 2.68Å; R25-E69 PolarHBondContact NH1-OE2 2.89Å; R25-H91 PolarHBondContact O-CE1 3.39Å; R25-H91 PolarHBondContact O-NE2 3.2Å
26D78.3Confident72.3Confident24 Ų2482.1 Ų82.113%0.12843%0.428CS..  trans-63.8137.7175.3-81.8-21.6000109.7K24 Y28 E29 I30 R35 H91K24-D26 PolarHBondContact O-N 3.01Å; D26-Y28 PolarHBondContact O-N 3.46Å; D26-Y28 VanDerWaalsContact O-N 3.17Å; D26-E29 HydrophobicContact CB-CB 4.22Å; D26-E29 HydrophobicContact CB-CG 3.93Å; D26-E29 WeakPolarHBondContact O-CA 3.12Å; D26-E29 WeakPolarHBondContact O-CB 3.48Å; D26-E29 PolarHBondContact O-N 2.98Å; D26-I30 PolarHBondContact O-N 2.93Å; D26-R35 IonicContact OD1-NH2 3.99Å; D26-R35 IonicContact OD2-CZ 3.99Å; D26-R35 IonicContact OD2-NE 3.73Å; D26-R35 IonicContact OD2-NH2 3.88Å; D26-R35 PolarHBondContact OD2-NH2 2.88Å; D26-H91 IonicContact OD1-ND1 3.56Å
27Y84.6Confident72.9Confident16 Ų1677.7 Ų77.76%0.06340%0.404CS..Hα-helixtrans-60.2-30.5179.5-70.5-39.3000111.8I30 L31 E72 A73 T76 Y86 H91Y27-I30 HydrophobicContact CD1-CD1 3.95Å; Y27-L31 PolarHBondContact O-N 3.43Å; Y27-E72 HydrophobicContact CE1-CG 3.85Å; Y27-E72 PolarHBondContact OH-OE1 2.8Å; Y27-E72 VanDerWaalsContact OH-OE1 3.11Å; Y27-A73 HydrophobicContact CD1-CB 3.63Å; Y27-A73 HydrophobicContact CG-CB 3.95Å; Y27-T76 HydrophobicContact CD2-CG2 3.9Å; Y27-T76 HydrophobicContact CE2-CG2 3.76Å; Y27-Y86 HydrophobicContact CD2-CD1 4.29Å; Y27-Y86 AromaticContact CD2-CD2 3.61Å; Y27-Y86 HydrophobicContact CD2-CD2 3.61Å; Y27-Y86 AromaticContact CD2-CE1 3.89Å; Y27-Y86 HydrophobicContact CD2-CE1 3.89Å; Y27-Y86 AromaticContact CD2-CE2 3.13Å; Y27-Y86 HydrophobicContact CD2-CE2 3.13Å; Y27-Y86 HydrophobicContact CD2-CG 4.15Å; Y27-Y86 AromaticContact CD2-CZ 3.28Å; Y27-Y86 AromaticContact CE2-CD2 3.57Å; Y27-Y86 HydrophobicContact CE2-CD2 3.57Å; Y27-Y86 AromaticContact CE2-CE2 3.27Å; Y27-Y86 HydrophobicContact CE2-CE2 3.27Å; Y27-Y86 HydrophobicContact CE2-CG 4.43Å; Y27-Y86 AromaticContact CE2-CZ 3.94Å; Y27-Y86 HydrophobicContact CG-CE2 4.12Å; Y27-Y86 AromaticContact CG-CZ 3.92Å; Y27-Y86 PolarHBondContact N-OH 3.16Å; Y27-Y86 VanDerWaalsContact N-OH 3.1Å; Y27-H91 AromaticContact CE1-NE2 3.69Å; Y27-H91 AromaticContact CE2-NE2 3.9Å; Y27-H91 AromaticContact CZ-NE2 3.62Å
28Y84.6Confident73.8Confident6 Ų676.6 Ų76.62%0.02440%0.402CS..Hα-helixtrans-65.3-39.4171.8-63-79.4000112.2D26 L31 G32 L33 R35 L77 R83 Y86 D87D26-Y28 PolarHBondContact O-N 3.46Å; D26-Y28 VanDerWaalsContact O-N 3.17Å; Y28-L31 PolarHBondContact O-N 3.02Å; Y28-G32 PolarHBondContact O-N 2.97Å; Y28-L33 CarbonylContact C-O 3.54Å; Y28-L33 WeakPolarHBondContact CB-O 3.46Å; Y28-L33 PolarHBondContact O-N 2.9Å; Y28-R35 HydrophobicContact CD2-CB 4.45Å; Y28-R35 HydrophobicContact CD2-CG 3.83Å; Y28-R35 HydrophobicContact CE2-CB 4.43Å; Y28-R35 HydrophobicContact CE2-CG 4.18Å; Y28-R35 HydrophobicContact CG-CG 4.05Å; Y28-L77 HydrophobicContact CD1-CD1 3.86Å; Y28-L77 HydrophobicContact CD1-CD2 4.42Å; Y28-L77 HydrophobicContact CD2-CD2 4.38Å; Y28-L77 HydrophobicContact CE1-CD1 3.96Å; Y28-L77 HydrophobicContact CE1-CD2 3.79Å; Y28-L77 HydrophobicContact CE1-CG 4.49Å; Y28-L77 HydrophobicContact CE2-CD2 3.76Å; Y28-L77 HydrophobicContact CG-CD1 4.16Å; Y28-L77 VanDerWaalsContact CZ-CD2 3.43Å; Y28-R83 PolarHBondContact OH-NE 3.13Å; Y28-Y86 HydrophobicContact CD2-CE1 4.16Å; Y28-Y86 HydrophobicContact CE2-CD1 4.28Å; Y28-Y86 AromaticContact CE2-CE1 3.81Å; Y28-Y86 HydrophobicContact CE2-CE1 3.81Å; Y28-D87 PolarHBondContact OH-OD1 2.71Å; Y28-D87 PolarHBondContact OH-OD2 3.43Å
29E83.2Confident74.7Confident105 Ų10578.6 Ų78.649%0.49141%0.405SS..Hα-helixtrans-71-37.2176.5-68.9-176170.200112.2D26 L31 G32D26-E29 HydrophobicContact CB-CB 4.22Å; D26-E29 HydrophobicContact CB-CG 3.93Å; D26-E29 WeakPolarHBondContact O-CA 3.12Å; D26-E29 WeakPolarHBondContact O-CB 3.48Å; D26-E29 PolarHBondContact O-N 2.98Å; E29-L31 VanDerWaalsContact C-N 3.27Å; E29-L31 PolarHBondContact O-N 3.49Å; E29-G32 PolarHBondContact O-N 2.82Å
30I85Confident75.8Confident35 Ų3579.2 Ų79.218%0.17940%0.402CS..Hα-helixtrans-59.7-40.3174.4-68.2164.3000110.8R25 D26 Y27 G32 E69 I70 A73R25-I30 HydrophobicContact CB-CD1 3.97Å; R25-I30 HydrophobicContact CB-CG1 4.21Å; D26-I30 PolarHBondContact O-N 2.93Å; Y27-I30 HydrophobicContact CD1-CD1 3.95Å; I30-G32 VanDerWaalsContact C-N 3.34Å; I30-E69 HydrophobicContact CD1-CB 4.44Å; I30-E69 HydrophobicContact CG2-CB 4.26Å; I30-I70 HydrophobicContact CG2-CB 4.44Å; I30-I70 HydrophobicContact CG2-CG1 3.83Å; I30-A73 HydrophobicContact CB-CB 4.26Å; I30-A73 HydrophobicContact CG2-CB 4.09Å
31L85.4Confident77.2Confident7 Ų777.6 Ų77.64%0.03740%0.396CS..Hα-helixtrans-81.9-10.7175.3-64.1-179.6000113.6Y27 Y28 E29 L33 I42 A45 F46 L49 I70 A73 L77Y27-L31 PolarHBondContact O-N 3.43Å; Y28-L31 PolarHBondContact O-N 3.02Å; E29-L31 VanDerWaalsContact C-N 3.27Å; E29-L31 PolarHBondContact O-N 3.49Å; L31-L33 HydrophobicContact CB-CD1 4.19Å; L31-L33 HydrophobicContact CB-CG 4.36Å; L31-I42 HydrophobicContact CD1-CG2 3.88Å; L31-A45 HydrophobicContact CB-CB 4.47Å; L31-F46 HydrophobicContact CD2-CB 4.47Å; L31-L49 HydrophobicContact CD2-CD1 4.18Å; L31-I70 HydrophobicContact CD2-CG2 3.91Å; L31-A73 HydrophobicContact CD1-CB 4.3Å; L31-A73 HydrophobicContact CD2-CB 4.32Å; L31-A73 HydrophobicContact CG-CB 3.98Å; L31-L77 HydrophobicContact CD1-CD1 3.88Å
32G84.4Confident78.6Confident64 Ų6473.1 Ų73.166%0.6637%0.373SS*.THydrogen-bonded Turntrans68.934.8-177.100000113.6Y28 E29 I30Y28-G32 PolarHBondContact O-N 2.97Å; E29-G32 PolarHBondContact O-N 2.82Å; I30-G32 VanDerWaalsContact C-N 3.34Å
33L85.6Confident80.2Confident34 Ų3470 Ų7018%0.17835%0.353CS..  trans-119.2153-177-71.4174.7000112Y28 L31 A37 Q41 I42 A45Y28-L33 CarbonylContact C-O 3.54Å; Y28-L33 WeakPolarHBondContact CB-O 3.46Å; Y28-L33 PolarHBondContact O-N 2.9Å; L31-L33 HydrophobicContact CB-CD1 4.19Å; L31-L33 HydrophobicContact CB-CG 4.36Å; L33-A37 HydrophobicContact CB-CB 3.96Å; L33-A37 HydrophobicContact CD1-CB 4.15Å; L33-A37 HydrophobicContact CD2-CB 4.43Å; L33-A37 HydrophobicContact CG-CB 4.43Å; L33-Q41 HydrophobicContact CD2-CB 4.29Å; L33-I42 VanDerWaalsContact CD1-CA 3.41Å; L33-I42 HydrophobicContact CD1-CB 4.21Å; L33-I42 HydrophobicContact CD1-CG1 3.8Å; L33-A45 HydrophobicContact CD1-CB 3.61Å; L33-A45 HydrophobicContact CD2-CB 4.14Å; L33-A45 HydrophobicContact CG-CB 3.85Å
34P84.8Confident81.8Confident67 Ų6769.5 Ų69.544%0.43534%0.336SS..  trans-70.5158.516831.6-34.7000111D36 A37P34-D36 PolarHBondContact O-N 3.48Å; P34-A37 HydrophobicContact CG-CB 4.34Å; P34-A37 WeakPolarHBondContact O-CB 3.36Å; P34-A37 PolarHBondContact O-N 3.29Å
35R81.4Confident83.3Confident157 Ų15766 Ų6659%0.59232%0.324SS*.THydrogen-bonded Turntrans-64.6-24.9-179.8-66.2-175.4176.9-166.5-1.4113.2D26 Y28 A37 R83D26-R35 IonicContact OD1-NH2 3.99Å; D26-R35 IonicContact OD2-CZ 3.99Å; D26-R35 IonicContact OD2-NE 3.73Å; D26-R35 IonicContact OD2-NH2 3.88Å; D26-R35 PolarHBondContact OD2-NH2 2.88Å; Y28-R35 HydrophobicContact CD2-CB 4.45Å; Y28-R35 HydrophobicContact CD2-CG 3.83Å; Y28-R35 HydrophobicContact CE2-CB 4.43Å; Y28-R35 HydrophobicContact CE2-CG 4.18Å; Y28-R35 HydrophobicContact CG-CG 4.05Å; R35-A37 PolarHBondContact O-N 2.89Å; R35-R83 PolarHBondContact O-NH2 2.03Å
36D82.3Confident84.6Confident139 Ų13959.7 Ų59.774%0.74330%0.3SS*.THydrogen-bonded Turntrans-83.16.4176.332-49.9000113P34P34-D36 PolarHBondContact O-N 3.48Å
37A83.4Confident84.8Confident1 Ų161.7 Ų61.71%0.00831%0.309CS..  trans-61.8140.4176.500000112.6L33 P34 R35 Q41 I42 R83L33-A37 HydrophobicContact CB-CB 3.96Å; L33-A37 HydrophobicContact CD1-CB 4.15Å; L33-A37 HydrophobicContact CD2-CB 4.43Å; L33-A37 HydrophobicContact CG-CB 4.43Å; P34-A37 HydrophobicContact CG-CB 4.34Å; P34-A37 WeakPolarHBondContact O-CB 3.36Å; P34-A37 PolarHBondContact O-N 3.29Å; R35-A37 PolarHBondContact O-N 2.89Å; A37-Q41 HydrophobicContact CB-CB 4.26Å; A37-I42 HydrophobicContact CB-CG1 4.26Å; A37-R83 PolarHBondContact O-NH1 3.37Å; A37-R83 PolarHBondContact O-NH2 3.41Å
38T86.8Confident84.9Confident74 Ų7468.5 Ų68.545%0.45434%0.339SS..  trans-76.5157174.563.70000110.8R40 Q41 I42T38-R40 PolarHBondContact O-N 3.41Å; T38-R40 VanDerWaalsContact O-N 3.16Å; T38-Q41 WeakPolarHBondContact O-CA 3.21Å; T38-Q41 WeakPolarHBondContact O-CB 3.21Å; T38-Q41 PolarHBondContact O-N 3.43Å; T38-Q41 WeakPolarHBondContact OG1-CG 3.34Å; T38-Q41 PolarHBondContact OG1-N 2.71Å; T38-I42 PolarHBondContact O-N 3.41Å
39E84.1Confident84.9Confident99 Ų9969.8 Ų69.846%0.46335%0.346SS..Hα-helixtrans-52.8-38.3175.8-166.8-164156.300111.8Q41 I42 K43E39-Q41 VanDerWaalsContact C-N 3.34Å; E39-Q41 PolarHBondContact O-N 3.32Å; E39-I42 PolarHBondContact O-N 2.84Å; E39-K43 VanDerWaalsContact O-CB 3.24Å; E39-K43 WeakPolarHBondContact O-CB 3.37Å; E39-K43 PolarHBondContact O-N 3.46Å
40R82.7Confident84.9Confident150 Ų15065 Ų6557%0.56632%0.324SS*.Hα-helixtrans-61.1-40.4175.1-65.2-173.7-177.8179.61.8112.7T38 K44 E184T38-R40 PolarHBondContact O-N 3.41Å; T38-R40 VanDerWaalsContact O-N 3.16Å; R40-K44 WeakPolarHBondContact O-CB 3.24Å; R40-K44 PolarHBondContact O-N 2.79Å; R40-E184 WeakPolarHBondContact CD-OE1 2.97Å; R40-E184 IonicContact CZ-OE1 3.9Å; R40-E184 IonicContact NE-OE1 3.64Å; R40-E184 IonicContact NH1-OE1 2.79Å; R40-E184 PolarHBondContact NH1-OE1 2.75Å
41Q84.9Confident84.7Confident93 Ų9365.6 Ų65.644%0.43533%0.328SS..Hα-helixtrans-70.1-40.8177.7-72.2172.8-16.100111.6L33 A37 T38 E39 K43 K44 A45L33-Q41 HydrophobicContact CD2-CB 4.29Å; A37-Q41 HydrophobicContact CB-CB 4.26Å; T38-Q41 WeakPolarHBondContact O-CA 3.21Å; T38-Q41 WeakPolarHBondContact O-CB 3.21Å; T38-Q41 PolarHBondContact O-N 3.43Å; T38-Q41 WeakPolarHBondContact OG1-CG 3.34Å; T38-Q41 PolarHBondContact OG1-N 2.71Å; E39-Q41 VanDerWaalsContact C-N 3.34Å; E39-Q41 PolarHBondContact O-N 3.32Å; Q41-K43 VanDerWaalsContact C-N 3.32Å; Q41-K43 PolarHBondContact O-N 3.17Å; Q41-K44 PolarHBondContact O-N 3.26Å; Q41-A45 WeakPolarHBondContact O-CB 3.38Å; Q41-A45 PolarHBondContact O-N 2.86Å
42I87.7Confident84.5Confident0 Ų071.6 Ų71.60%035%0.353CS..Hα-helixtrans-56.7-48.5173.4-67.5161.1000110.3L31 L33 A37 T38 E39 K44 A45 F46 Y74 L77L31-I42 HydrophobicContact CD1-CG2 3.88Å; L33-I42 VanDerWaalsContact CD1-CA 3.41Å; L33-I42 HydrophobicContact CD1-CB 4.21Å; L33-I42 HydrophobicContact CD1-CG1 3.8Å; A37-I42 HydrophobicContact CB-CG1 4.26Å; T38-I42 PolarHBondContact O-N 3.41Å; E39-I42 PolarHBondContact O-N 2.84Å; I42-K44 PolarHBondContact O-N 2.86Å; I42-A45 PolarHBondContact O-N 2.92Å; I42-F46 WeakPolarHBondContact O-CB 3.34Å; I42-F46 PolarHBondContact O-N 3.09Å; I42-Y74 HydrophobicContact CG2-CD2 4.05Å; I42-Y74 HydrophobicContact CG2-CE2 4.46Å; I42-L77 HydrophobicContact CD1-CB 4.16Å; I42-L77 HydrophobicContact CG2-CB 4.04Å
43K86.9Confident84.4Confident77 Ų7770.8 Ų70.834%0.33533%0.331SS..Hα-helixtrans-60-43.9176.2-167.7175.6-146.7-95.10112.7E39 Q41 H47 Y74 F125E39-K43 VanDerWaalsContact O-CB 3.24Å; E39-K43 WeakPolarHBondContact O-CB 3.37Å; E39-K43 PolarHBondContact O-N 3.46Å; Q41-K43 VanDerWaalsContact C-N 3.32Å; Q41-K43 PolarHBondContact O-N 3.17Å; K43-H47 PolarHBondContact O-N 3.43Å; K43-Y74 HydrophobicContact CB-CE2 4.48Å; K43-F125 HydrophobicContact CD-CE1 4.49Å; K43-F125 HydrophobicContact CD-CE2 3.88Å; K43-F125 HydrophobicContact CD-CZ 3.59Å; K43-F125 HydrophobicContact CG-CE1 4.18Å; K43-F125 HydrophobicContact CG-CE2 3.66Å; K43-F125 HydrophobicContact CG-CZ 3.14Å
44K85.4Confident84Confident72 Ų7272.3 Ų72.331%0.31334%0.337SS..Hα-helixtrans-66-43.5177.4-169.1-179.6-174.6176.80111.9R40 Q41 I42 H47 K48 D177 F180R40-K44 WeakPolarHBondContact O-CB 3.24Å; R40-K44 PolarHBondContact O-N 2.79Å; Q41-K44 PolarHBondContact O-N 3.26Å; I42-K44 PolarHBondContact O-N 2.86Å; K44-H47 PolarHBondContact O-N 2.94Å; K44-K48 PolarHBondContact O-N 3.33Å; K44-K48 VanDerWaalsContact O-N 3.16Å; K44-D177 IonicContact NZ-OD1 3.4Å; K44-D177 PolarHBondContact NZ-OD1 3.39Å; K44-F180 HydrophobicContact CB-CE1 4.42Å; K44-F180 HydrophobicContact CB-CE2 4.2Å; K44-F180 HydrophobicContact CB-CZ 3.93Å; K44-F180 HydrophobicContact CD-CD1 3.74Å; K44-F180 HydrophobicContact CD-CE1 3.63Å; K44-F180 HydrophobicContact CD-CE2 4.5Å; K44-F180 HydrophobicContact CD-CG 4.24Å; K44-F180 HydrophobicContact CD-CZ 4.02Å; K44-F180 HydrophobicContact CG-CD1 4.39Å; K44-F180 HydrophobicContact CG-CD2 4.4Å; K44-F180 HydrophobicContact CG-CE1 4.19Å; K44-F180 HydrophobicContact CG-CE2 4.18Å; K44-F180 HydrophobicContact CG-CG 4.49Å; K44-F180 HydrophobicContact CG-CZ 4.06Å
45A87.3Confident83.5Confident16 Ų1672.3 Ų72.313%0.13234%0.337CS..Hα-helixtrans-66.6-45.1-179.700000111.9L31 L33 Q41 I42 H47 K48 L49L31-A45 HydrophobicContact CB-CB 4.47Å; L33-A45 HydrophobicContact CD1-CB 3.61Å; L33-A45 HydrophobicContact CD2-CB 4.14Å; L33-A45 HydrophobicContact CG-CB 3.85Å; Q41-A45 WeakPolarHBondContact O-CB 3.38Å; Q41-A45 PolarHBondContact O-N 2.86Å; I42-A45 PolarHBondContact O-N 2.92Å; A45-H47 VanDerWaalsContact C-N 3.32Å; A45-H47 PolarHBondContact O-N 2.73Å; A45-K48 PolarHBondContact O-N 2.98Å; A45-L49 WeakPolarHBondContact O-CG 3.43Å; A45-L49 PolarHBondContact O-N 2.76Å
46F87.4Confident83Confident17 Ų1771 Ų718%0.07534%0.342CS..Hα-helixtrans-54.2-49.2173.9172.2-102.3000111.2L31 I42 K48 L49 A50 I70 Y74 M121L31-F46 HydrophobicContact CD2-CB 4.47Å; I42-F46 WeakPolarHBondContact O-CB 3.34Å; I42-F46 PolarHBondContact O-N 3.09Å; F46-K48 PolarHBondContact O-N 3.15Å; F46-L49 PolarHBondContact O-N 2.8Å; F46-A50 HydrophobicContact CE1-CB 4.37Å; F46-A50 HydrophobicContact CE2-CB 4.44Å; F46-A50 HydrophobicContact CZ-CB 4.2Å; F46-A50 WeakPolarHBondContact O-CB 3.41Å; F46-A50 PolarHBondContact O-N 3.48Å; F46-I70 HydrophobicContact CD2-CG2 3.66Å; F46-I70 HydrophobicContact CE2-CG2 4.01Å; F46-Y74 HydrophobicContact CB-CD2 3.59Å; F46-Y74 HydrophobicContact CB-CE2 4.22Å; F46-Y74 HydrophobicContact CB-CG 4.1Å; F46-Y74 HydrophobicContact CD1-CD1 4.45Å; F46-Y74 HydrophobicContact CD1-CD2 4.13Å; F46-Y74 HydrophobicContact CD1-CE2 4.33Å; F46-Y74 HydrophobicContact CD1-CG 4.18Å; F46-Y74 HydrophobicContact CD2-CD1 4.42Å; F46-Y74 HydrophobicContact CD2-CD2 4.18Å; F46-Y74 AromaticContact CD2-CG 3.78Å; F46-Y74 HydrophobicContact CD2-CG 3.78Å; F46-Y74 HydrophobicContact CE2-CG 4.29Å; F46-Y74 HydrophobicContact CG-CD1 4.39Å; F46-Y74 AromaticContact CG-CD2 3.69Å; F46-Y74 HydrophobicContact CG-CD2 3.69Å; F46-Y74 HydrophobicContact CG-CE2 4.31Å; F46-Y74 AromaticContact CG-CG 3.73Å; F46-Y74 HydrophobicContact CG-CG 3.73Å; F46-M121 HydrophobicContact CE1-CE 3.82Å; F46-M121 HydrophobicContact CE2-CE 4.09Å; F46-M121 HydrophobicContact CZ-CE 3.4Å; F46-M121 VanDerWaalsContact CZ-CE 3.4Å
47H83.2Confident82.3Confident66 Ų6672.9 Ų72.931%0.30634%0.339SS..Hα-helixtrans-59.4-44.7-179.9-177.9-135.5000112.7K43 K44 A45 L49 L51 F122K43-H47 PolarHBondContact O-N 3.43Å; K44-H47 PolarHBondContact O-N 2.94Å; A45-H47 VanDerWaalsContact C-N 3.32Å; A45-H47 PolarHBondContact O-N 2.73Å; H47-L49 VanDerWaalsContact C-N 3.34Å; H47-L49 PolarHBondContact O-N 2.87Å; H47-L51 WeakPolarHBondContact NE2-CD1 3.42Å; H47-L51 WeakPolarHBondContact O-CG 3.1Å; H47-L51 PolarHBondContact O-N 2.89Å; H47-L51 VanDerWaalsContact O-N 3.1Å; H47-F122 AromaticContact CD2-CE2 3.68Å; H47-F122 AromaticContact CD2-CZ 3.81Å; H47-F122 AromaticContact NE2-CE2 3.92Å; H47-F122 AromaticContact NE2-CZ 3.53Å
48K85.9Confident81.5Confident159 Ų15975.3 Ų75.369%0.69135%0.351SS*.Hα-helixtrans-63.2-39.8178.8-173.5176.2-178.1175.90112.2K44 A45 F46 K52K44-K48 PolarHBondContact O-N 3.33Å; K44-K48 VanDerWaalsContact O-N 3.16Å; A45-K48 PolarHBondContact O-N 2.98Å; F46-K48 PolarHBondContact O-N 3.15Å; K48-K52 PolarHBondContact O-N 2.91Å
49L85.9Confident80.6Confident33 Ų3380.8 Ų80.817%0.17337%0.369CS..Hα-helixtrans-77.1-40.2-179.5-68.1172.3000112L31 A45 F46 H47 L51 K52 Y53 I70L31-L49 HydrophobicContact CD2-CD1 4.18Å; A45-L49 WeakPolarHBondContact O-CG 3.43Å; A45-L49 PolarHBondContact O-N 2.76Å; F46-L49 PolarHBondContact O-N 2.8Å; H47-L49 VanDerWaalsContact C-N 3.34Å; H47-L49 PolarHBondContact O-N 2.87Å; L49-L51 VanDerWaalsContact C-N 3.34Å; L49-L51 PolarHBondContact O-N 3.5Å; L49-K52 WeakPolarHBondContact O-CB 3.44Å; L49-K52 PolarHBondContact O-N 3.09Å; L49-Y53 HydrophobicContact CD2-CE2 4.13Å; L49-Y53 WeakPolarHBondContact O-CD2 3.28Å; L49-Y53 PolarHBondContact O-N 2.79Å; L49-I70 HydrophobicContact CB-CD1 3.82Å; L49-I70 HydrophobicContact CB-CG1 4.44Å; L49-I70 HydrophobicContact CB-CG2 4.11Å; L49-I70 HydrophobicContact CD1-CD1 4.35Å; L49-I70 HydrophobicContact CD1-CG1 4.32Å
50A82.6Confident80.1Confident4 Ų480.8 Ų80.83%0.03337%0.372CS..Hα-helixtrans-60.1-42.9176.700000111.7F46 K52 H54 F67F46-A50 HydrophobicContact CE1-CB 4.37Å; F46-A50 HydrophobicContact CE2-CB 4.44Å; F46-A50 HydrophobicContact CZ-CB 4.2Å; F46-A50 WeakPolarHBondContact O-CB 3.41Å; F46-A50 PolarHBondContact O-N 3.48Å; A50-K52 VanDerWaalsContact C-N 3.26Å; A50-K52 PolarHBondContact O-N 3.17Å; A50-H54 WeakPolarHBondContact O-CA 3.17Å; A50-H54 WeakPolarHBondContact O-CB 3.42Å; A50-H54 PolarHBondContact O-N 3.5Å; A50-F67 HydrophobicContact CB-CE2 3.73Å; A50-F67 HydrophobicContact CB-CZ 4.34Å
51L81.1Confident79.5Confident48 Ų4878 Ų7825%0.25138%0.381SS..Hα-helixtrans-66.3-27.4175.3-76.5171.4000113.6H47 L49 R57 F122H47-L51 WeakPolarHBondContact NE2-CD1 3.42Å; H47-L51 WeakPolarHBondContact O-CG 3.1Å; H47-L51 PolarHBondContact O-N 2.89Å; H47-L51 VanDerWaalsContact O-N 3.1Å; L49-L51 VanDerWaalsContact C-N 3.34Å; L49-L51 PolarHBondContact O-N 3.5Å; L51-R57 PolarHBondContact O-NH1 3.34Å; L51-F122 HydrophobicContact CD2-CE2 4.49Å; L51-F122 HydrophobicContact CD2-CZ 4.16Å
52K81.4Confident78.9Confident133 Ų13378.9 Ų78.958%0.57839%0.388SS*.Hα-helixtrans-82.2-37.9-178.7-173.7179.3179.6-175.80112K48 L49 A50K48-K52 PolarHBondContact O-N 2.91Å; L49-K52 WeakPolarHBondContact O-CB 3.44Å; L49-K52 PolarHBondContact O-N 3.09Å; A50-K52 VanDerWaalsContact C-N 3.26Å; A50-K52 PolarHBondContact O-N 3.17Å
53Y81.6Confident78.2Confident48 Ų4879 Ų7919%0.18839%0.39CS..SBendtrans-103.716.2-178.7-63.7-68.3000113.4L49 A63 K66 I70L49-Y53 HydrophobicContact CD2-CE2 4.13Å; L49-Y53 WeakPolarHBondContact O-CD2 3.28Å; L49-Y53 PolarHBondContact O-N 2.79Å; Y53-A63 HydrophobicContact CD1-CB 4.41Å; Y53-K66 HydrophobicContact CD1-CB 4.38Å; Y53-K66 HydrophobicContact CD1-CD 4.34Å; Y53-K66 HydrophobicContact CE1-CD 3.82Å; Y53-K66 HydrophobicContact CG-CB 4.47Å; Y53-I70 HydrophobicContact CD2-CD1 3.56Å; Y53-I70 HydrophobicContact CE2-CD1 3.99Å; Y53-I70 HydrophobicContact CG-CD1 4.45Å
54H77.8Confident77.8Confident65 Ų6580.5 Ų80.530%0.30140%0.398SS..  trans-62.7130.7178.4-167.1-90.6000110.9A50 D56 R57 N58A50-H54 WeakPolarHBondContact O-CA 3.17Å; A50-H54 WeakPolarHBondContact O-CB 3.42Å; A50-H54 PolarHBondContact O-N 3.5Å; H54-D56 WeakPolarHBondContact CE1-CB 3.49Å; H54-D56 WeakPolarHBondContact ND1-CB 3.45Å; H54-D56 PolarHBondContact ND1-N 3.09Å; H54-D56 VanDerWaalsContact ND1-N 3.16Å; H54-D56 PolarHBondContact O-N 3.07Å; H54-D56 VanDerWaalsContact O-N 3.14Å; H54-R57 PolarHBondContact O-N 3.03Å; H54-N58 PolarHBondContact O-N 3.22Å
55P73.3Confident77.6Confident67 Ų6778.8 Ų78.844%0.43540%0.397SS..THydrogen-bonded Turntrans-63.7-22.9-174.524.6-34.9000113.8
56D71Confident77.3Confident131 Ų13182.4 Ų82.470%0.70141%0.41SS*.THydrogen-bonded Turntrans-73.1-33173.7-169.350.9000112.6H54H54-D56 WeakPolarHBondContact CE1-CB 3.49Å; H54-D56 WeakPolarHBondContact ND1-CB 3.45Å; H54-D56 PolarHBondContact ND1-N 3.09Å; H54-D56 VanDerWaalsContact ND1-N 3.16Å; H54-D56 PolarHBondContact O-N 3.07Å; H54-D56 VanDerWaalsContact O-N 3.14Å
57R68.9Low77.1Confident178 Ų17882.4 Ų82.467%0.67241%0.41SS*.THydrogen-bonded Turntrans-95.1-28.8-176.4-68.6-178.171.4-165.79112.8L51 H54L51-R57 PolarHBondContact O-NH1 3.34Å; H54-R57 PolarHBondContact O-N 3.03Å
58N65.8Low77.1Confident52 Ų5284.8 Ų84.828%0.27842%0.416SS..  trans-129.8120.6176-160.15.8000110.9H54 D60 A63H54-N58 PolarHBondContact O-N 3.22Å; N58-D60 PolarHBondContact ND2-OD2 3.14Å; N58-D60 VanDerWaalsContact ND2-OD2 3.08Å; N58-D60 PolarHBondContact OD1-OD2 3.12Å; N58-A63 HydrophobicContact CB-CB 4.31Å
59K68.2Low77Confident189 Ų18979.6 Ų79.682%0.82239%0.394SS*.  trans-96.811.6-173.7-61.7-176.6-179-177.20113.2
60D74.1Confident77Confident99 Ų9978.3 Ų78.353%0.52939%0.387SS..  trans-68.6136.4175.3-65.4-36.7000110.5N58 D62 A63N58-D60 PolarHBondContact ND2-OD2 3.14Å; N58-D60 VanDerWaalsContact ND2-OD2 3.08Å; N58-D60 PolarHBondContact OD1-OD2 3.12Å; D60-D62 PolarHBondContact O-N 3.12Å; D60-A63 HydrophobicContact CB-CB 4.32Å; D60-A63 VanDerWaalsContact O-CB 3.3Å; D60-A63 WeakPolarHBondContact O-CB 3.24Å; D60-A63 PolarHBondContact O-N 2.88Å
61A68.6Low77.1Confident90 Ų9078.3 Ų78.374%0.74439%0.388SS*.Hα-helixtrans-59.7-27.8176.300000112.5A63A61-A63 VanDerWaalsContact C-N 3.33Å
62D73.4Confident77.3Confident112 Ų11277.9 Ų77.960%0.59938%0.384SS*.Hα-helixtrans-77.3-17.5177.4-64.3-25.8000113.3D60 K66D60-D62 PolarHBondContact O-N 3.12Å; D62-K66 WeakPolarHBondContact O-CB 3.31Å; D62-K66 WeakPolarHBondContact O-CG 3.11Å; D62-K66 PolarHBondContact O-N 3.38Å
63A73.4Confident77.6Confident3 Ų371.5 Ų71.53%0.02536%0.357CS..Hα-helixtrans-69.6-38.6179.800000111.2Y53 N58 D60 A61 K66 F67Y53-A63 HydrophobicContact CD1-CB 4.41Å; N58-A63 HydrophobicContact CB-CB 4.31Å; D60-A63 HydrophobicContact CB-CB 4.32Å; D60-A63 VanDerWaalsContact O-CB 3.3Å; D60-A63 WeakPolarHBondContact O-CB 3.24Å; D60-A63 PolarHBondContact O-N 2.88Å; A61-A63 VanDerWaalsContact C-N 3.33Å; A63-K66 PolarHBondContact O-N 3.24Å; A63-F67 VanDerWaalsContact O-CB 3.24Å; A63-F67 WeakPolarHBondContact O-CB 3.42Å; A63-F67 PolarHBondContact O-N 3.47Å
64E77.6Confident77.8Confident108 Ų10870.7 Ų70.751%0.50535%0.354SS..Hα-helixtrans-65.1-43.9176.1-167.2-160.4128.300111.5F67 R68E64-F67 PolarHBondContact O-N 3.42Å; E64-R68 WeakPolarHBondContact O-CB 3.44Å; E64-R68 PolarHBondContact O-N 3.42Å; E64-R68 IonicContact OE1-CZ 3.45Å; E64-R68 IonicContact OE1-NH1 3.16Å; E64-R68 PolarHBondContact OE1-NH1 2.92Å; E64-R68 VanDerWaalsContact OE1-NH1 3.16Å; E64-R68 IonicContact OE1-NH2 2.86Å; E64-R68 PolarHBondContact OE1-NH2 2.96Å
65A81.1Confident78.2Confident36 Ų3669.4 Ų69.430%0.29835%0.348SS..Hα-helixtrans-61.4-46.3177.200000111.7R68 E69A65-R68 WeakPolarHBondContact O-CB 3.25Å; A65-R68 PolarHBondContact O-N 3.39Å; A65-E69 WeakPolarHBondContact O-CG 3.38Å; A65-E69 PolarHBondContact O-N 2.91Å; A65-E69 VanDerWaalsContact O-N 3.12Å
66K81.6Confident78.7Confident93 Ų9367.4 Ų67.440%0.40433%0.334SS..Hα-helixtrans-65.7-40.7176.9-72.4173-177.7169.20112.4Y53 D62 A63 R68 E69 I70Y53-K66 HydrophobicContact CD1-CB 4.38Å; Y53-K66 HydrophobicContact CD1-CD 4.34Å; Y53-K66 HydrophobicContact CE1-CD 3.82Å; Y53-K66 HydrophobicContact CG-CB 4.47Å; D62-K66 WeakPolarHBondContact O-CB 3.31Å; D62-K66 WeakPolarHBondContact O-CG 3.11Å; D62-K66 PolarHBondContact O-N 3.38Å; A63-K66 PolarHBondContact O-N 3.24Å; K66-R68 VanDerWaalsContact C-N 3.29Å; K66-R68 PolarHBondContact O-N 3.02Å; K66-E69 PolarHBondContact O-N 2.85Å; K66-I70 VanDerWaalsContact O-CD1 3.31Å; K66-I70 WeakPolarHBondContact O-CD1 3.1Å; K66-I70 VanDerWaalsContact O-CG1 3.25Å; K66-I70 WeakPolarHBondContact O-CG1 3.34Å; K66-I70 PolarHBondContact O-N 2.96Å
67F82.9Confident79.5Confident17 Ų1761.3 Ų61.38%0.07530%0.301CS..Hα-helixtrans-61.4-41.5177-173-79000111.2A50 A63 E64 I70 A71 F118A50-F67 HydrophobicContact CB-CE2 3.73Å; A50-F67 HydrophobicContact CB-CZ 4.34Å; A63-F67 VanDerWaalsContact O-CB 3.24Å; A63-F67 WeakPolarHBondContact O-CB 3.42Å; A63-F67 PolarHBondContact O-N 3.47Å; E64-F67 PolarHBondContact O-N 3.42Å; F67-I70 PolarHBondContact O-N 3.17Å; F67-A71 HydrophobicContact CE1-CB 4.37Å; F67-A71 WeakPolarHBondContact O-CB 3.24Å; F67-A71 PolarHBondContact O-N 3.06Å; F67-F118 AromaticContact CD1-CD1 3.96Å; F67-F118 HydrophobicContact CD1-CD1 3.96Å; F67-F118 AromaticContact CD1-CE1 3.54Å; F67-F118 HydrophobicContact CD1-CE1 3.54Å; F67-F118 AromaticContact CE1-CD1 3.24Å; F67-F118 HydrophobicContact CE1-CD1 3.24Å; F67-F118 AromaticContact CE1-CE1 3.25Å; F67-F118 HydrophobicContact CE1-CE1 3.25Å; F67-F118 AromaticContact CZ-CD1 3.8Å; F67-F118 HydrophobicContact CZ-CD1 3.8Å; F67-F118 HydrophobicContact CZ-CE1 4.24Å
68R82.5Confident80.1Confident116 Ų11654.3 Ų54.344%0.43828%0.28SS..Hα-helixtrans-60.8-45.6175.8170.516436.8-130.2-14111.9E64 A65 K66 I70 A71 E72 Y113E64-R68 WeakPolarHBondContact O-CB 3.44Å; E64-R68 PolarHBondContact O-N 3.42Å; E64-R68 IonicContact OE1-CZ 3.45Å; E64-R68 IonicContact OE1-NH1 3.16Å; E64-R68 PolarHBondContact OE1-NH1 2.92Å; E64-R68 VanDerWaalsContact OE1-NH1 3.16Å; E64-R68 IonicContact OE1-NH2 2.86Å; E64-R68 PolarHBondContact OE1-NH2 2.96Å; A65-R68 WeakPolarHBondContact O-CB 3.25Å; A65-R68 PolarHBondContact O-N 3.39Å; K66-R68 VanDerWaalsContact C-N 3.29Å; K66-R68 PolarHBondContact O-N 3.02Å; R68-I70 VanDerWaalsContact C-N 3.33Å; R68-I70 PolarHBondContact O-N 3.1Å; R68-A71 PolarHBondContact O-N 2.78Å; R68-E72 PolarHBondContact O-N 3.31Å; R68-E72 VanDerWaalsContact O-N 3.07Å; R68-Y113 HydrophobicContact CG-CE1 4.42Å
69E84.1Confident81Confident49 Ų4955.1 Ų55.123%0.22928%0.284CS..Hα-helixtrans-61.1-40.7174.5-68.5174.9-16700112.1R25 I30 A65 K66 A73R25-E69 IonicContact CZ-OE1 2.71Å; R25-E69 IonicContact CZ-OE2 3.68Å; R25-E69 IonicContact NE-OE2 3.99Å; R25-E69 VanDerWaalsContact NH1-CD 3.31Å; R25-E69 IonicContact NH1-OE1 3.66Å; R25-E69 PolarHBondContact NH1-OE1 2.96Å; R25-E69 IonicContact NH1-OE2 2.68Å; R25-E69 PolarHBondContact NH1-OE2 2.89Å; I30-E69 HydrophobicContact CD1-CB 4.44Å; I30-E69 HydrophobicContact CG2-CB 4.26Å; A65-E69 WeakPolarHBondContact O-CG 3.38Å; A65-E69 PolarHBondContact O-N 2.91Å; A65-E69 VanDerWaalsContact O-N 3.12Å; K66-E69 PolarHBondContact O-N 2.85Å; E69-A73 WeakPolarHBondContact O-CB 3.08Å; E69-A73 PolarHBondContact O-N 2.84Å; E69-A73 VanDerWaalsContact O-N 3.08Å
70I86.3Confident81.7Confident6 Ų650.4 Ų50.43%0.03127%0.268CS..Hα-helixtrans-66.2-38.6177.9-70.7157.8000112I30 L31 F46 L49 Y53 K66 F67 R68 Y74I30-I70 HydrophobicContact CG2-CB 4.44Å; I30-I70 HydrophobicContact CG2-CG1 3.83Å; L31-I70 HydrophobicContact CD2-CG2 3.91Å; F46-I70 HydrophobicContact CD2-CG2 3.66Å; F46-I70 HydrophobicContact CE2-CG2 4.01Å; L49-I70 HydrophobicContact CB-CD1 3.82Å; L49-I70 HydrophobicContact CB-CG1 4.44Å; L49-I70 HydrophobicContact CB-CG2 4.11Å; L49-I70 HydrophobicContact CD1-CD1 4.35Å; L49-I70 HydrophobicContact CD1-CG1 4.32Å; Y53-I70 HydrophobicContact CD2-CD1 3.56Å; Y53-I70 HydrophobicContact CE2-CD1 3.99Å; Y53-I70 HydrophobicContact CG-CD1 4.45Å; K66-I70 VanDerWaalsContact O-CD1 3.31Å; K66-I70 WeakPolarHBondContact O-CD1 3.1Å; K66-I70 VanDerWaalsContact O-CG1 3.25Å; K66-I70 WeakPolarHBondContact O-CG1 3.34Å; K66-I70 PolarHBondContact O-N 2.96Å; F67-I70 PolarHBondContact O-N 3.17Å; R68-I70 VanDerWaalsContact C-N 3.33Å; R68-I70 PolarHBondContact O-N 3.1Å; I70-Y74 PolarHBondContact O-N 3.22Å
71A85.1Confident82.1Confident5 Ų551.7 Ų51.74%0.04127%0.269CS..Hα-helixtrans-68-43.9178.400000111.8F67 R68 A73 Y74 E75F67-A71 HydrophobicContact CE1-CB 4.37Å; F67-A71 WeakPolarHBondContact O-CB 3.24Å; F67-A71 PolarHBondContact O-N 3.06Å; R68-A71 PolarHBondContact O-N 2.78Å; A71-A73 VanDerWaalsContact C-N 3.33Å; A71-A73 PolarHBondContact O-N 3.31Å; A71-Y74 PolarHBondContact O-N 2.91Å; A71-E75 PolarHBondContact O-N 2.83Å
72E84.3Confident82.7Confident38 Ų3851.4 Ų51.418%0.17825%0.249CC..Hα-helixtrans-59.6-43.4175.3-176.9176.9-172.800111.7Y27 R68 E75 T76 F109 Y113Y27-E72 HydrophobicContact CE1-CG 3.85Å; Y27-E72 PolarHBondContact OH-OE1 2.8Å; Y27-E72 VanDerWaalsContact OH-OE1 3.11Å; R68-E72 PolarHBondContact O-N 3.31Å; R68-E72 VanDerWaalsContact O-N 3.07Å; E72-E75 PolarHBondContact O-N 3.34Å; E72-T76 PolarHBondContact O-N 3.09Å; E72-T76 PolarHBondContact O-OG1 3.49Å; E72-F109 HydrophobicContact CG-CZ 4.24Å; E72-F109 WeakPolarHBondContact OE1-CZ 3.03Å; E72-Y113 WeakPolarHBondContact CB-OH 3.25Å; E72-Y113 WeakPolarHBondContact CG-OH 3.1Å
73A87.4Confident83.3Confident0 Ų047.8 Ų47.80%023%0.227CC..Hα-helixtrans-61.5-44.7175.500000112.1Y27 I30 L31 E69 A71 L77Y27-A73 HydrophobicContact CD1-CB 3.63Å; Y27-A73 HydrophobicContact CG-CB 3.95Å; I30-A73 HydrophobicContact CB-CB 4.26Å; I30-A73 HydrophobicContact CG2-CB 4.09Å; L31-A73 HydrophobicContact CD1-CB 4.3Å; L31-A73 HydrophobicContact CD2-CB 4.32Å; L31-A73 HydrophobicContact CG-CB 3.98Å; E69-A73 WeakPolarHBondContact O-CB 3.08Å; E69-A73 PolarHBondContact O-N 2.84Å; E69-A73 VanDerWaalsContact O-N 3.08Å; A71-A73 VanDerWaalsContact C-N 3.33Å; A71-A73 PolarHBondContact O-N 3.31Å; A73-L77 VanDerWaalsContact O-CB 3.31Å; A73-L77 WeakPolarHBondContact O-CB 3.31Å; A73-L77 VanDerWaalsContact O-CG 3.25Å; A73-L77 WeakPolarHBondContact O-CG 3.46Å; A73-L77 PolarHBondContact O-N 3.08Å
74Y87.4Confident83.8Confident31 Ų3154.7 Ų54.712%0.12225%0.252CS..Hα-helixtrans-64.9-45.5179176.5-99.7000112.1I42 K43 F46 I70 A71 T76 L77 S78 M121I42-Y74 HydrophobicContact CG2-CD2 4.05Å; I42-Y74 HydrophobicContact CG2-CE2 4.46Å; K43-Y74 HydrophobicContact CB-CE2 4.48Å; F46-Y74 HydrophobicContact CB-CD2 3.59Å; F46-Y74 HydrophobicContact CB-CE2 4.22Å; F46-Y74 HydrophobicContact CB-CG 4.1Å; F46-Y74 HydrophobicContact CD1-CD1 4.45Å; F46-Y74 HydrophobicContact CD1-CD2 4.13Å; F46-Y74 HydrophobicContact CD1-CE2 4.33Å; F46-Y74 HydrophobicContact CD1-CG 4.18Å; F46-Y74 HydrophobicContact CD2-CD1 4.42Å; F46-Y74 HydrophobicContact CD2-CD2 4.18Å; F46-Y74 AromaticContact CD2-CG 3.78Å; F46-Y74 HydrophobicContact CD2-CG 3.78Å; F46-Y74 HydrophobicContact CE2-CG 4.29Å; F46-Y74 HydrophobicContact CG-CD1 4.39Å; F46-Y74 AromaticContact CG-CD2 3.69Å; F46-Y74 HydrophobicContact CG-CD2 3.69Å; F46-Y74 HydrophobicContact CG-CE2 4.31Å; F46-Y74 AromaticContact CG-CG 3.73Å; F46-Y74 HydrophobicContact CG-CG 3.73Å; I70-Y74 PolarHBondContact O-N 3.22Å; A71-Y74 PolarHBondContact O-N 2.91Å; Y74-T76 VanDerWaalsContact C-N 3.26Å; Y74-T76 PolarHBondContact O-N 2.75Å; Y74-L77 PolarHBondContact O-N 3.12Å; Y74-S78 WeakPolarHBondContact O-CB 3.02Å; Y74-S78 PolarHBondContact O-N 2.81Å; Y74-S78 PolarHBondContact O-OG 2.96Å; Y74-S78 VanDerWaalsContact O-OG 3.07Å; Y74-M121 HydrophobicContact CD1-CE 3.55Å; Y74-M121 HydrophobicContact CE1-CE 3.82Å
75E84.8Confident83.9Confident38 Ų3853.7 Ų53.718%0.17825%0.247CC..Hα-helixtrans-60.8-37-179.1-179.4177.3-175.700112.6A71 E72 R82A71-E75 PolarHBondContact O-N 2.83Å; E72-E75 PolarHBondContact O-N 3.34Å; E75-R82 IonicContact OE1-CZ 3.79Å; E75-R82 IonicContact OE1-NH1 3.63Å; E75-R82 PolarHBondContact OE1-NH1 2.91Å; E75-R82 IonicContact OE1-NH2 2.79Å
76T85.1Confident83.9Confident25 Ų2553.2 Ų53.215%0.15324%0.238CC..Hα-helixtrans-74.6-39.2178.7-520000111.4Y27 E72 Y74 R82 R83 Y86Y27-T76 HydrophobicContact CD2-CG2 3.9Å; Y27-T76 HydrophobicContact CE2-CG2 3.76Å; E72-T76 PolarHBondContact O-N 3.09Å; E72-T76 PolarHBondContact O-OG1 3.49Å; Y74-T76 VanDerWaalsContact C-N 3.26Å; Y74-T76 PolarHBondContact O-N 2.75Å; T76-R82 CarbonylContact O-C 3.52Å; T76-R82 WeakPolarHBondContact O-CB 3.02Å; T76-R83 PolarHBondContact O-N 2.79Å; T76-R83 VanDerWaalsContact O-N 3.09Å; T76-Y86 HydrophobicContact CG2-CD2 4.01Å; T76-Y86 HydrophobicContact CG2-CG 3.83Å
77L86.1Confident83.9Confident2 Ų253 Ų531%0.0124%0.241CC..Hα-helixtrans-89.3-17.6-174.4-64179.9000114.3Y28 L31 I42 A73 Y74 R83 Y86Y28-L77 HydrophobicContact CD1-CD1 3.86Å; Y28-L77 HydrophobicContact CD1-CD2 4.42Å; Y28-L77 HydrophobicContact CD2-CD2 4.38Å; Y28-L77 HydrophobicContact CE1-CD1 3.96Å; Y28-L77 HydrophobicContact CE1-CD2 3.79Å; Y28-L77 HydrophobicContact CE1-CG 4.49Å; Y28-L77 HydrophobicContact CE2-CD2 3.76Å; Y28-L77 HydrophobicContact CG-CD1 4.16Å; Y28-L77 VanDerWaalsContact CZ-CD2 3.43Å; L31-L77 HydrophobicContact CD1-CD1 3.88Å; I42-L77 HydrophobicContact CD1-CB 4.16Å; I42-L77 HydrophobicContact CG2-CB 4.04Å; A73-L77 VanDerWaalsContact O-CB 3.31Å; A73-L77 WeakPolarHBondContact O-CB 3.31Å; A73-L77 VanDerWaalsContact O-CG 3.25Å; A73-L77 WeakPolarHBondContact O-CG 3.46Å; A73-L77 PolarHBondContact O-N 3.08Å; Y74-L77 PolarHBondContact O-N 3.12Å; L77-R83 HydrophobicContact CD2-CG 4.15Å; L77-Y86 HydrophobicContact CD2-CD1 4.07Å; L77-Y86 HydrophobicContact CD2-CE1 4.27Å
78S82.8Confident83.6Confident32 Ų3258.9 Ų58.922%0.22427%0.269CS..Hα-helixtrans-76.7-28.5-178.965.70000113.6Y74Y74-S78 WeakPolarHBondContact O-CB 3.02Å; Y74-S78 PolarHBondContact O-N 2.81Å; Y74-S78 PolarHBondContact O-OG 2.96Å; Y74-S78 VanDerWaalsContact O-OG 3.07Å
79D83.9Confident82.9Confident68 Ų6859.7 Ų59.736%0.36428%0.276SS..SBendtrans-98.1120.1177.4-178.8-17.4000109.6K81 R82 R83D79-K81 PolarHBondContact O-N 2.88Å; D79-K81 VanDerWaalsContact O-N 3.12Å; D79-K81 WeakPolarHBondContact OD1-CB 3.37Å; D79-K81 PolarHBondContact OD1-N 3.25Å; D79-R82 HydrophobicContact CB-CB 4.09Å; D79-R82 HydrophobicContact CB-CG 4.06Å; D79-R82 PolarHBondContact O-N 3.47Å; D79-R82 VanDerWaalsContact O-N 3.08Å; D79-R83 WeakPolarHBondContact O-CB 3.36Å; D79-R83 PolarHBondContact O-N 2.98Å
80D83.2Confident82Confident91 Ų9158.7 Ų58.749%0.48728%0.279SS..Hα-helixtrans-53.4-31.8177.7-79.2-18.8000113.6R84D80-R84 WeakPolarHBondContact O-CB 3.44Å; D80-R84 VanDerWaalsContact O-CG 3.24Å; D80-R84 WeakPolarHBondContact O-CG 3.44Å; D80-R84 PolarHBondContact O-N 2.87Å; D80-R84 PolarHBondContact O-NE 3.16Å
81K82.7Confident80.5Confident126 Ų12660.6 Ų60.655%0.54829%0.287SS..Hα-helixtrans-70.1-51.1176.3-175.3-175.3170.8-166.60110.4D79 R83 R84 E85D79-K81 PolarHBondContact O-N 2.88Å; D79-K81 VanDerWaalsContact O-N 3.12Å; D79-K81 WeakPolarHBondContact OD1-CB 3.37Å; D79-K81 PolarHBondContact OD1-N 3.25Å; K81-R83 VanDerWaalsContact C-N 3.35Å; K81-R83 PolarHBondContact O-N 2.82Å; K81-R84 PolarHBondContact O-N 3.1Å; K81-E85 WeakPolarHBondContact CE-OE1 3.48Å; K81-E85 WeakPolarHBondContact O-CG 3.36Å; K81-E85 PolarHBondContact O-N 3.16Å
82R82.1Confident78.8Confident83 Ų8363.9 Ų63.931%0.31331%0.31SS..Hα-helixtrans-66-37.4-179.9-65.7-179.8173.1179.8-7.4112E75 T76 D79 E85 Y86E75-R82 IonicContact OE1-CZ 3.79Å; E75-R82 IonicContact OE1-NH1 3.63Å; E75-R82 PolarHBondContact OE1-NH1 2.91Å; E75-R82 IonicContact OE1-NH2 2.79Å; T76-R82 CarbonylContact O-C 3.52Å; T76-R82 WeakPolarHBondContact O-CB 3.02Å; D79-R82 HydrophobicContact CB-CB 4.09Å; D79-R82 HydrophobicContact CB-CG 4.06Å; D79-R82 PolarHBondContact O-N 3.47Å; D79-R82 VanDerWaalsContact O-N 3.08Å; R82-E85 PolarHBondContact O-N 2.9Å; R82-Y86 VanDerWaalsContact O-CB 3.24Å; R82-Y86 WeakPolarHBondContact O-CB 3.39Å; R82-Y86 PolarHBondContact O-N 2.88Å
83R85.7Confident77.1Confident37 Ų3766.1 Ų66.114%0.1434%0.335CS..Hα-helixtrans-61.2-45.8173.6-177.4177.4179.71743.9111.2Y28 R35 A37 T76 L77 D79 K81 Y86 D87Y28-R83 PolarHBondContact OH-NE 3.13Å; R35-R83 PolarHBondContact O-NH2 2.03Å; A37-R83 PolarHBondContact O-NH1 3.37Å; A37-R83 PolarHBondContact O-NH2 3.41Å; T76-R83 PolarHBondContact O-N 2.79Å; T76-R83 VanDerWaalsContact O-N 3.09Å; L77-R83 HydrophobicContact CD2-CG 4.15Å; D79-R83 WeakPolarHBondContact O-CB 3.36Å; D79-R83 PolarHBondContact O-N 2.98Å; K81-R83 VanDerWaalsContact C-N 3.35Å; K81-R83 PolarHBondContact O-N 2.82Å; R83-Y86 PolarHBondContact O-N 2.77Å; R83-D87 IonicContact NE-OD2 2.74Å; R83-D87 WeakPolarHBondContact O-CB 3.42Å; R83-D87 PolarHBondContact O-N 2.96Å
84R82.4Confident75.1Confident147 Ų14770.1 Ų70.156%0.55536%0.363SS*.Hα-helixtrans-64.5-41.4176.3-78.9179.1-72.5-172.5-4.1112.5D80 K81 Y86 D87 Q88D80-R84 WeakPolarHBondContact O-CB 3.44Å; D80-R84 VanDerWaalsContact O-CG 3.24Å; D80-R84 WeakPolarHBondContact O-CG 3.44Å; D80-R84 PolarHBondContact O-N 2.87Å; D80-R84 PolarHBondContact O-NE 3.16Å; K81-R84 PolarHBondContact O-N 3.1Å; R84-Y86 VanDerWaalsContact C-N 3.34Å; R84-D87 PolarHBondContact O-N 2.87Å; R84-Q88 VanDerWaalsContact O-CB 3.26Å; R84-Q88 WeakPolarHBondContact O-CB 3.46Å; R84-Q88 WeakPolarHBondContact O-CG 3.37Å; R84-Q88 PolarHBondContact O-N 3.37Å
85E81.6Confident73Confident87 Ų8772.9 Ų72.941%0.40739%0.387SS..Hα-helixtrans-62.4-43.9174.9-72.7169.1-170.700110.9K81 R82 Q88 F89K81-E85 WeakPolarHBondContact CE-OE1 3.48Å; K81-E85 WeakPolarHBondContact O-CG 3.36Å; K81-E85 PolarHBondContact O-N 3.16Å; R82-E85 PolarHBondContact O-N 2.9Å; E85-Q88 PolarHBondContact O-N 3.25Å; E85-F89 HydrophobicContact CB-CD2 4.48Å; E85-F89 WeakPolarHBondContact O-CB 3.14Å; E85-F89 VanDerWaalsContact O-CD2 3.28Å; E85-F89 WeakPolarHBondContact O-CD2 3.38Å; E85-F89 PolarHBondContact O-N 3.38Å
86Y79.6Confident71.1Confident26 Ų2674.7 Ų74.710%0.10242%0.416CS..Hα-helixtrans-64.1-42.6175.3175.8-100.9000112.8Y27 Y28 T76 L77 R82 R83 R84 Q88 G90 H91Y27-Y86 HydrophobicContact CD2-CD1 4.29Å; Y27-Y86 AromaticContact CD2-CD2 3.61Å; Y27-Y86 HydrophobicContact CD2-CD2 3.61Å; Y27-Y86 AromaticContact CD2-CE1 3.89Å; Y27-Y86 HydrophobicContact CD2-CE1 3.89Å; Y27-Y86 AromaticContact CD2-CE2 3.13Å; Y27-Y86 HydrophobicContact CD2-CE2 3.13Å; Y27-Y86 HydrophobicContact CD2-CG 4.15Å; Y27-Y86 AromaticContact CD2-CZ 3.28Å; Y27-Y86 AromaticContact CE2-CD2 3.57Å; Y27-Y86 HydrophobicContact CE2-CD2 3.57Å; Y27-Y86 AromaticContact CE2-CE2 3.27Å; Y27-Y86 HydrophobicContact CE2-CE2 3.27Å; Y27-Y86 HydrophobicContact CE2-CG 4.43Å; Y27-Y86 AromaticContact CE2-CZ 3.94Å; Y27-Y86 HydrophobicContact CG-CE2 4.12Å; Y27-Y86 AromaticContact CG-CZ 3.92Å; Y27-Y86 PolarHBondContact N-OH 3.16Å; Y27-Y86 VanDerWaalsContact N-OH 3.1Å; Y28-Y86 HydrophobicContact CD2-CE1 4.16Å; Y28-Y86 HydrophobicContact CE2-CD1 4.28Å; Y28-Y86 AromaticContact CE2-CE1 3.81Å; Y28-Y86 HydrophobicContact CE2-CE1 3.81Å; T76-Y86 HydrophobicContact CG2-CD2 4.01Å; T76-Y86 HydrophobicContact CG2-CG 3.83Å; L77-Y86 HydrophobicContact CD2-CD1 4.07Å; L77-Y86 HydrophobicContact CD2-CE1 4.27Å; R82-Y86 VanDerWaalsContact O-CB 3.24Å; R82-Y86 WeakPolarHBondContact O-CB 3.39Å; R82-Y86 PolarHBondContact O-N 2.88Å; R83-Y86 PolarHBondContact O-N 2.77Å; R84-Y86 VanDerWaalsContact C-N 3.34Å; Y86-Q88 VanDerWaalsContact C-N 3.32Å; Y86-Q88 PolarHBondContact O-N 3.49Å; Y86-G90 WeakPolarHBondContact O-CA 3.41Å; Y86-G90 PolarHBondContact O-N 3.33Å; Y86-H91 AromaticContact CE2-CE1 3.59Å; Y86-H91 AromaticContact CE2-CG 3.96Å; Y86-H91 AromaticContact CE2-ND1 3.59Å; Y86-H91 AromaticContact CE2-NE2 3.88Å; Y86-H91 AromaticContact CZ-CE1 3.59Å; Y86-H91 AromaticContact CZ-ND1 3.66Å; Y86-H91 PolarHBondContact OH-CE1 3.44Å; Y86-H91 PolarHBondContact OH-ND1 3.17Å
87D81.4Confident69Low88 Ų8881.6 Ų81.647%0.47145%0.447SS..Hα-helixtrans-69.4-29.1177.5-67.8-23.3000111.9Y28 R83 R84Y28-D87 PolarHBondContact OH-OD1 2.71Å; Y28-D87 PolarHBondContact OH-OD2 3.43Å; R83-D87 IonicContact NE-OD2 2.74Å; R83-D87 WeakPolarHBondContact O-CB 3.42Å; R83-D87 PolarHBondContact O-N 2.96Å; R84-D87 PolarHBondContact O-N 2.87Å
88Q76.4Confident67Low141 Ų14186.1 Ų86.166%0.65948%0.484SS*.Hα-helixtrans-83.7-44.3179.1-76.5174.837.300113.7R84 E85 Y86R84-Q88 VanDerWaalsContact O-CB 3.26Å; R84-Q88 WeakPolarHBondContact O-CB 3.46Å; R84-Q88 WeakPolarHBondContact O-CG 3.37Å; R84-Q88 PolarHBondContact O-N 3.37Å; E85-Q88 PolarHBondContact O-N 3.25Å; Y86-Q88 VanDerWaalsContact C-N 3.32Å; Y86-Q88 PolarHBondContact O-N 3.49Å
89F68.9Low64.9Low134 Ų13493 Ų9359%0.58851%0.513SS*.Hα-helixtrans-98.5-13.7-175.1-63.9-72.3000112.9E85 S92E85-F89 HydrophobicContact CB-CD2 4.48Å; E85-F89 WeakPolarHBondContact O-CB 3.14Å; E85-F89 VanDerWaalsContact O-CD2 3.28Å; E85-F89 WeakPolarHBondContact O-CD2 3.38Å; E85-F89 PolarHBondContact O-N 3.38Å; F89-S92 WeakPolarHBondContact O-CB 2.96Å; F89-S92 PolarHBondContact O-OG 3.01Å
90G64.3Low63.1Low28 Ų28102.1 Ų102.129%0.28954%0.542SS..G310 helixtrans61.7-176.2-176.100000113Y86 S92 A93Y86-G90 WeakPolarHBondContact O-CA 3.41Å; Y86-G90 PolarHBondContact O-N 3.33Å; G90-S92 PolarHBondContact O-N 3.25Å; G90-A93 PolarHBondContact O-N 2.87Å
91H56.5Low61Low45 Ų45101.2 Ų101.221%0.20855%0.554CS.*G310 helixtrans-56.6-6.5171.6-91.4107.3000115.1R25 D26 Y27 Y86 A93 S94R25-H91 PolarHBondContact O-CE1 3.39Å; R25-H91 PolarHBondContact O-NE2 3.2Å; D26-H91 IonicContact OD1-ND1 3.56Å; Y27-H91 AromaticContact CE1-NE2 3.69Å; Y27-H91 AromaticContact CE2-NE2 3.9Å; Y27-H91 AromaticContact CZ-NE2 3.62Å; Y86-H91 AromaticContact CE2-CE1 3.59Å; Y86-H91 AromaticContact CE2-CG 3.96Å; Y86-H91 AromaticContact CE2-ND1 3.59Å; Y86-H91 AromaticContact CE2-NE2 3.88Å; Y86-H91 AromaticContact CZ-CE1 3.59Å; Y86-H91 AromaticContact CZ-ND1 3.66Å; Y86-H91 PolarHBondContact OH-CE1 3.44Å; Y86-H91 PolarHBondContact OH-ND1 3.17Å; H91-A93 PolarHBondContact O-N 2.92Å; H91-S94 PolarHBondContact O-N 3.38Å; H91-S94 VanDerWaalsContact O-N 3.16Å
92S49.3Very low58.8Low74 Ų7499.1 Ų99.152%0.51757%0.568SS.*G310 helixtrans-63.1-20.3179-15.40000113.8F89 G90F89-S92 WeakPolarHBondContact O-CB 2.96Å; F89-S92 PolarHBondContact O-OG 3.01Å; G90-S92 PolarHBondContact O-N 3.25Å
93A47.8Very low57.3Low86 Ų8699.4 Ų99.471%0.71160%0.597SS**G310 helixtrans-77.1-19.5175.900000113.6G90 H91G90-A93 PolarHBondContact O-N 2.87Å; H91-A93 PolarHBondContact O-N 2.92Å
94S45.6Very low55.1Low84 Ų84100.8 Ų100.859%0.58762%0.623SS**THydrogen-bonded Turntrans-88.4-26.7-179.9176.60000112.5H91 G96H91-S94 PolarHBondContact O-N 3.38Å; H91-S94 VanDerWaalsContact O-N 3.16Å; S94-G96 PolarHBondContact O-N 3.16Å; S94-G96 VanDerWaalsContact O-N 3.11Å
95S42.8Very low53Low88 Ų8899.9 Ų99.962%0.61563%0.629SS**SBendtrans-87.272.4176.460.90000112.2E97S95-E97 VanDerWaalsContact C-N 3.32Å; S95-E97 PolarHBondContact O-N 3.36Å
96G44.6Very low51.1Low77 Ų77102.4 Ų102.479%0.79465%0.645SS**SBendtrans66.85142.500000120.5S94S94-G96 PolarHBondContact O-N 3.16Å; S94-G96 VanDerWaalsContact O-N 3.11Å
97E42.1Very low49.5Very low169 Ų169109.8 Ų109.879%0.7967%0.674SS**  trans-114.870.4172.5-154137.8149.800110.4S95 H99S95-E97 VanDerWaalsContact C-N 3.32Å; S95-E97 PolarHBondContact O-N 3.36Å; E97-H99 PolarHBondContact O-N 3.17Å
98A43.2Very low47.7Very low97 Ų97109.4 Ų109.480%0.80267%0.672SS**  trans-53.3103.1172.900000109.7R100A98-R100 PolarHBondContact O-N 3.48Å
99H38.9Very low46.1Very low178 Ų178108 Ų10882%0.82466%0.664SS**  trans-52.4103.6161.8-90.151.2000108.5E97 G101E97-H99 PolarHBondContact O-N 3.17Å; H99-G101 VanDerWaalsContact C-N 3.31Å; H99-G101 PolarHBondContact O-N 2.97Å
100R46.2Very low44.8Very low258 Ų258111.6 Ų111.697%0.97467%0.674SS**  trans-59.795.9155.4-86.3-175.7168.7-175.9-1.5107.9A98A98-R100 PolarHBondContact O-N 3.48Å
101G39.6Very low43.8Very low72 Ų72116.1 Ų116.174%0.74269%0.688SS**  trans163.5111.6165.900000113.9H99H99-G101 VanDerWaalsContact C-N 3.31Å; H99-G101 PolarHBondContact O-N 2.97Å
102G36.8Very low43.2Very low82 Ų82118.7 Ų118.785%0.84570%0.699SS**  trans115.5102.7162.600000112.9
103G48.7Very low43Very low90 Ų90118 Ų11893%0.92869%0.686SS**  trans-63.4149.417800000113.8
104G39.7Very low42.9Very low65 Ų65121.7 Ų121.767%0.6769%0.688SS**  trans157.499.6173.900000109.3
105D40.1Very low42.8Very low129 Ų129122.2 Ų122.269%0.6969%0.692SS**  trans45.695163.2-51.4-51.1000116.8Y107D105-Y107 HydrophobicContact CB-CD2 3.7Å; D105-Y107 HydrophobicContact CB-CE2 3.42Å; D105-Y107 VanDerWaalsContact CB-CE2 3.42Å; D105-Y107 WeakPolarHBondContact O-CD2 3.33Å; D105-Y107 PolarHBondContact O-N 3.08Å
106D40.1Very low43.1Very low139 Ų139119.5 Ų119.574%0.74367%0.669SS**  trans-62.272.6165.6-169.3-111.5000110.4N108D106-N108 VanDerWaalsContact C-N 3.29Å; D106-N108 PolarHBondContact O-N 3.46Å; D106-N108 PolarHBondContact OD1-ND2 3.06Å
107Y46.7Very low43.5Very low182 Ų182120.4 Ų120.471%0.71466%0.656SS**  trans-71.695.6161-72.1-78.9000106.4D105 F109D105-Y107 HydrophobicContact CB-CD2 3.7Å; D105-Y107 HydrophobicContact CB-CE2 3.42Å; D105-Y107 VanDerWaalsContact CB-CE2 3.42Å; D105-Y107 WeakPolarHBondContact O-CD2 3.33Å; D105-Y107 PolarHBondContact O-N 3.08Å; Y107-F109 VanDerWaalsContact C-N 3.26Å; Y107-F109 PolarHBondContact O-N 2.98Å
108N42.8Very low44.1Very low80 Ų80117.1 Ų117.143%0.42864%0.639SS.*  trans-53.290.2171-89.5-89.7000110.3D106 R110 Q111 H112D106-N108 VanDerWaalsContact C-N 3.29Å; D106-N108 PolarHBondContact O-N 3.46Å; D106-N108 PolarHBondContact OD1-ND2 3.06Å; N108-R110 PolarHBondContact O-N 3.48Å; N108-R110 VanDerWaalsContact O-N 3.11Å; N108-Q111 HydrophobicContact CB-CB 3.51Å; N108-Q111 HydrophobicContact CB-CG 3.46Å; N108-Q111 VanDerWaalsContact CB-CG 3.46Å; N108-Q111 PolarHBondContact O-N 3.3Å; N108-H112 PolarHBondContact O-N 3.07Å; N108-H112 VanDerWaalsContact O-N 3.09Å
109F43.8Very low44.6Very low112 Ų112117 Ų11749%0.49163%0.625SS.*Hα-helixtrans-46.3-43.1173.5-178.8-109.1000110.3E72 Y107 Y113E72-F109 HydrophobicContact CG-CZ 4.24Å; E72-F109 WeakPolarHBondContact OE1-CZ 3.03Å; Y107-F109 VanDerWaalsContact C-N 3.26Å; Y107-F109 PolarHBondContact O-N 2.98Å; F109-Y113 AromaticContact CD1-CE2 3.86Å; F109-Y113 HydrophobicContact CD1-CE2 3.86Å; F109-Y113 AromaticContact CD2-CE2 3.99Å; F109-Y113 HydrophobicContact CD2-CE2 3.99Å; F109-Y113 AromaticContact CE1-CE2 3.62Å; F109-Y113 HydrophobicContact CE1-CE2 3.62Å; F109-Y113 AromaticContact CE2-CE2 3.76Å; F109-Y113 HydrophobicContact CE2-CE2 3.76Å; F109-Y113 WeakPolarHBondContact CE2-OH 3.2Å; F109-Y113 HydrophobicContact CG-CE2 4.04Å; F109-Y113 AromaticContact CZ-CE2 3.57Å; F109-Y113 HydrophobicContact CZ-CE2 3.57Å; F109-Y113 AromaticContact CZ-CZ 3.88Å; F109-Y113 VanDerWaalsContact CZ-OH 3.28Å; F109-Y113 WeakPolarHBondContact CZ-OH 3.48Å; F109-Y113 WeakPolarHBondContact O-CD2 3.49Å; F109-Y113 WeakPolarHBondContact O-CE2 3.31Å
110R41.5Very low45.6Very low208 Ų208111.5 Ų111.579%0.78560%0.601SS**Hα-helixtrans-73.6-27.2179.3-166.7173.7175.7131-0.8115.5N108N108-R110 PolarHBondContact O-N 3.48Å; N108-R110 VanDerWaalsContact O-N 3.11Å
111Q42Very low46.2Very low124 Ų124102.3 Ų102.358%0.57957%0.57SS**Hα-helixtrans-82.5-29178.1-66.8-87.513.400111.6N108 Y113 Q114N108-Q111 HydrophobicContact CB-CB 3.51Å; N108-Q111 HydrophobicContact CB-CG 3.46Å; N108-Q111 VanDerWaalsContact CB-CG 3.46Å; N108-Q111 PolarHBondContact O-N 3.3Å; Q111-Y113 VanDerWaalsContact C-N 3.29Å; Q111-Y113 PolarHBondContact O-N 3.22Å; Q111-Q114 PolarHBondContact O-N 2.76Å
112H45.6Very low47.1Very low98 Ų98102.7 Ų102.745%0.45455%0.552SS.*Hα-helixtrans-63.2-38.5173.9-153.157.8000110.8N108 Q114 S115 F116N108-H112 PolarHBondContact O-N 3.07Å; N108-H112 VanDerWaalsContact O-N 3.09Å; H112-Q114 VanDerWaalsContact C-N 3.29Å; H112-Q114 PolarHBondContact O-N 3.23Å; H112-Q114 VanDerWaalsContact O-N 3.17Å; H112-S115 CarbonylContact O-C 3.6Å; H112-S115 PolarHBondContact O-N 3.11Å; H112-F116 VanDerWaalsContact C-CD2 3.44Å; H112-F116 VanDerWaalsContact C-CE2 3.45Å; H112-F116 HydrophobicContact CB-CE2 4.1Å; H112-F116 AromaticContact CD2-CE1 3.96Å; H112-F116 AromaticContact CD2-CE2 3.5Å; H112-F116 VanDerWaalsContact CD2-CE2 3.5Å; H112-F116 WeakPolarHBondContact CD2-CE2 3.28Å; H112-F116 AromaticContact CD2-CZ 3.34Å; H112-F116 WeakPolarHBondContact CD2-CZ 3.47Å; H112-F116 AromaticContact CG-CE2 4Å; H112-F116 WeakPolarHBondContact O-CD2 3.47Å; H112-F116 WeakPolarHBondContact O-CE2 3.43Å; H112-F116 PolarHBondContact O-N 3.01Å; H112-F116 VanDerWaalsContact O-N 3.09Å
113Y44.6Very low48.1Very low61 Ų61103 Ų10324%0.23953%0.53CS..THydrogen-bonded Turntrans-55.1-31.4177.7-78.7-69.9000116R68 E72 F109 Q111 F116R68-Y113 HydrophobicContact CG-CE1 4.42Å; E72-Y113 WeakPolarHBondContact CB-OH 3.25Å; E72-Y113 WeakPolarHBondContact CG-OH 3.1Å; F109-Y113 AromaticContact CD1-CE2 3.86Å; F109-Y113 HydrophobicContact CD1-CE2 3.86Å; F109-Y113 AromaticContact CD2-CE2 3.99Å; F109-Y113 HydrophobicContact CD2-CE2 3.99Å; F109-Y113 AromaticContact CE1-CE2 3.62Å; F109-Y113 HydrophobicContact CE1-CE2 3.62Å; F109-Y113 AromaticContact CE2-CE2 3.76Å; F109-Y113 HydrophobicContact CE2-CE2 3.76Å; F109-Y113 WeakPolarHBondContact CE2-OH 3.2Å; F109-Y113 HydrophobicContact CG-CE2 4.04Å; F109-Y113 AromaticContact CZ-CE2 3.57Å; F109-Y113 HydrophobicContact CZ-CE2 3.57Å; F109-Y113 AromaticContact CZ-CZ 3.88Å; F109-Y113 VanDerWaalsContact CZ-OH 3.28Å; F109-Y113 WeakPolarHBondContact CZ-OH 3.48Å; F109-Y113 WeakPolarHBondContact O-CD2 3.49Å; F109-Y113 WeakPolarHBondContact O-CE2 3.31Å; Q111-Y113 VanDerWaalsContact C-N 3.29Å; Q111-Y113 PolarHBondContact O-N 3.22Å; Y113-F116 HydrophobicContact CD1-CD2 4.08Å; Y113-F116 AromaticContact CD1-CE2 3.68Å; Y113-F116 HydrophobicContact CD1-CE2 3.68Å; Y113-F116 AromaticContact CE1-CE2 3.97Å; Y113-F116 HydrophobicContact CE1-CE2 3.97Å; Y113-F116 HydrophobicContact CE1-CZ 4.39Å; Y113-F116 HydrophobicContact CG-CD2 4.46Å; Y113-F116 HydrophobicContact CG-CE2 4.03Å
114Q44.8Very low48.5Very low163 Ų163104.4 Ų104.476%0.76252%0.516SS*.THydrogen-bonded Turntrans-86.5-13178.8-64.5-173.30.500113.2Q111 H112Q111-Q114 PolarHBondContact O-N 2.76Å; H112-Q114 VanDerWaalsContact C-N 3.29Å; H112-Q114 PolarHBondContact O-N 3.23Å; H112-Q114 VanDerWaalsContact O-N 3.17Å
115S44.4Very low49.2Very low94 Ų94104.5 Ų104.566%0.65750%0.498SS*.SBendtrans-114.212.1179.1-70.10000113.4H112 N117H112-S115 CarbonylContact O-C 3.6Å; H112-S115 PolarHBondContact O-N 3.11Å; S115-N117 PolarHBondContact O-N 2.73Å
116F49.5Very low50.1Low31 Ų31101.5 Ų101.514%0.13648%0.482CS..  trans-65.687.8164.6-79.2-94.4000108.7H112 Y113 F118 M121H112-F116 VanDerWaalsContact C-CD2 3.44Å; H112-F116 VanDerWaalsContact C-CE2 3.45Å; H112-F116 HydrophobicContact CB-CE2 4.1Å; H112-F116 AromaticContact CD2-CE1 3.96Å; H112-F116 AromaticContact CD2-CE2 3.5Å; H112-F116 VanDerWaalsContact CD2-CE2 3.5Å; H112-F116 WeakPolarHBondContact CD2-CE2 3.28Å; H112-F116 AromaticContact CD2-CZ 3.34Å; H112-F116 WeakPolarHBondContact CD2-CZ 3.47Å; H112-F116 AromaticContact CG-CE2 4Å; H112-F116 WeakPolarHBondContact O-CD2 3.47Å; H112-F116 WeakPolarHBondContact O-CE2 3.43Å; H112-F116 PolarHBondContact O-N 3.01Å; H112-F116 VanDerWaalsContact O-N 3.09Å; Y113-F116 HydrophobicContact CD1-CD2 4.08Å; Y113-F116 AromaticContact CD1-CE2 3.68Å; Y113-F116 HydrophobicContact CD1-CE2 3.68Å; Y113-F116 AromaticContact CE1-CE2 3.97Å; Y113-F116 HydrophobicContact CE1-CE2 3.97Å; Y113-F116 HydrophobicContact CE1-CZ 4.39Å; Y113-F116 HydrophobicContact CG-CD2 4.46Å; Y113-F116 HydrophobicContact CG-CE2 4.03Å; F116-F118 VanDerWaalsContact C-N 3.25Å; F116-F118 WeakPolarHBondContact O-CD2 3.49Å; F116-F118 PolarHBondContact O-N 3.11Å; F116-M121 HydrophobicContact CD1-SD 4.24Å; F116-M121 HydrophobicContact CE1-SD 4.4Å
117N53.2Low50.8Low96 Ų9698.4 Ų98.451%0.51347%0.47SS..  trans-68.295.3159.4-115-37.8000106.4S115 N119 D120 M121S115-N117 PolarHBondContact O-N 2.73Å; N117-N119 PolarHBondContact O-N 2.79Å; N117-D120 HydrophobicContact CB-CB 3.8Å; N117-D120 WeakPolarHBondContact CB-OD2 3.37Å; N117-D120 PolarHBondContact ND2-OD2 3.05Å; N117-D120 PolarHBondContact O-N 2.93Å; N117-M121 PolarHBondContact O-N 3.07Å
118F54Low51.1Low100 Ų10098 Ų9844%0.43947%0.472SS..Hα-helixtrans-48.2-29.5173-61.1-74.9000112.3F67 F116F67-F118 AromaticContact CD1-CD1 3.96Å; F67-F118 HydrophobicContact CD1-CD1 3.96Å; F67-F118 AromaticContact CD1-CE1 3.54Å; F67-F118 HydrophobicContact CD1-CE1 3.54Å; F67-F118 AromaticContact CE1-CD1 3.24Å; F67-F118 HydrophobicContact CE1-CD1 3.24Å; F67-F118 AromaticContact CE1-CE1 3.25Å; F67-F118 HydrophobicContact CE1-CE1 3.25Å; F67-F118 AromaticContact CZ-CD1 3.8Å; F67-F118 HydrophobicContact CZ-CD1 3.8Å; F67-F118 HydrophobicContact CZ-CE1 4.24Å; F116-F118 VanDerWaalsContact C-N 3.25Å; F116-F118 WeakPolarHBondContact O-CD2 3.49Å; F116-F118 PolarHBondContact O-N 3.11Å
119N54.4Low51.4Low95 Ų9596 Ų9651%0.50847%0.47SS..Hα-helixtrans-76.2-32.4176.9-15923.5000113.3N117 K123N117-N119 PolarHBondContact O-N 2.79Å; N119-K123 WeakPolarHBondContact ND2-CE 3.3Å; N119-K123 PolarHBondContact ND2-NZ 3.37Å; N119-K123 VanDerWaalsContact O-CB 3.31Å; N119-K123 WeakPolarHBondContact O-CB 3.37Å; N119-K123 WeakPolarHBondContact O-CD 3.48Å; N119-K123 WeakPolarHBondContact O-CG 3.48Å; N119-K123 PolarHBondContact O-N 3.45Å
120D58.4Low51.6Low62 Ų6296 Ų9633%0.33247%0.472SS..Hα-helixtrans-81.4-39.1-177.4-66.9-22.5000111.4N117 F122 K123 D124N117-D120 HydrophobicContact CB-CB 3.8Å; N117-D120 WeakPolarHBondContact CB-OD2 3.37Å; N117-D120 PolarHBondContact ND2-OD2 3.05Å; N117-D120 PolarHBondContact O-N 2.93Å; D120-F122 PolarHBondContact O-N 3.43Å; D120-K123 PolarHBondContact O-N 3.45Å; D120-K123 IonicContact OD1-NZ 3.89Å; D120-K123 PolarHBondContact OD1-NZ 3.1Å; D120-D124 PolarHBondContact O-N 3.12Å
121M59.5Low51.8Low65 Ų6594.5 Ų94.532%0.3247%0.474SS..Hα-helixtrans-63.2-28.1173.5-165.2178.5152.700112.5F46 Y74 F116 N117F46-M121 HydrophobicContact CE1-CE 3.82Å; F46-M121 HydrophobicContact CE2-CE 4.09Å; F46-M121 HydrophobicContact CZ-CE 3.4Å; F46-M121 VanDerWaalsContact CZ-CE 3.4Å; Y74-M121 HydrophobicContact CD1-CE 3.55Å; Y74-M121 HydrophobicContact CE1-CE 3.82Å; F116-M121 HydrophobicContact CD1-SD 4.24Å; F116-M121 HydrophobicContact CE1-SD 4.4Å; N117-M121 PolarHBondContact O-N 3.07Å
122F58.8Low52.1Low80 Ų8099.6 Ų99.635%0.35149%0.488SS..Hα-helixtrans-84.8-35.9173.8-152-89.1000112.5H47 L51 D120 F125 D126H47-F122 AromaticContact CD2-CE2 3.68Å; H47-F122 AromaticContact CD2-CZ 3.81Å; H47-F122 AromaticContact NE2-CE2 3.92Å; H47-F122 AromaticContact NE2-CZ 3.53Å; L51-F122 HydrophobicContact CD2-CE2 4.49Å; L51-F122 HydrophobicContact CD2-CZ 4.16Å; D120-F122 PolarHBondContact O-N 3.43Å; F122-F125 CarbonylContact O-C 3.47Å; F122-F125 WeakPolarHBondContact O-CB 3.24Å; F122-F125 PolarHBondContact O-N 3.22Å; F122-D126 PolarHBondContact O-N 2.68Å; F122-D126 VanDerWaalsContact O-N 3.09Å
123K58.1Low52.4Low88 Ų88102.9 Ų102.938%0.38350%0.503SS..Hα-helixtrans-65.1-40.3175-81.6172.1-153.6157.20113.1N119 D120 F125 D126N119-K123 WeakPolarHBondContact ND2-CE 3.3Å; N119-K123 PolarHBondContact ND2-NZ 3.37Å; N119-K123 VanDerWaalsContact O-CB 3.31Å; N119-K123 WeakPolarHBondContact O-CB 3.37Å; N119-K123 WeakPolarHBondContact O-CD 3.48Å; N119-K123 WeakPolarHBondContact O-CG 3.48Å; N119-K123 PolarHBondContact O-N 3.45Å; D120-K123 PolarHBondContact O-N 3.45Å; D120-K123 IonicContact OD1-NZ 3.89Å; D120-K123 PolarHBondContact OD1-NZ 3.1Å; K123-F125 PolarHBondContact O-N 3.4Å; K123-F125 VanDerWaalsContact O-N 3.12Å; K123-D126 PolarHBondContact O-N 3.44Å
124D57.1Low52.1Low120 Ų120107.7 Ų107.764%0.64253%0.527SS*.THydrogen-bonded Turntrans-64.3-14.8176.2-74.4-22.4000112.2D120D120-D124 PolarHBondContact O-N 3.12Å
125F54.6Low51.7Low67 Ų67108.8 Ų108.829%0.29453%0.532SS..THydrogen-bonded Turntrans-108.6-7.6-177.9-148.7-88.1000113.8K43 F122 K123 P127K43-F125 HydrophobicContact CD-CE1 4.49Å; K43-F125 HydrophobicContact CD-CE2 3.88Å; K43-F125 HydrophobicContact CD-CZ 3.59Å; K43-F125 HydrophobicContact CG-CE1 4.18Å; K43-F125 HydrophobicContact CG-CE2 3.66Å; K43-F125 HydrophobicContact CG-CZ 3.14Å; F122-F125 CarbonylContact O-C 3.47Å; F122-F125 WeakPolarHBondContact O-CB 3.24Å; F122-F125 PolarHBondContact O-N 3.22Å; K123-F125 PolarHBondContact O-N 3.4Å; K123-F125 VanDerWaalsContact O-N 3.12Å; F125-P127 WeakPolarHBondContact O-CD 3.37Å
126D59.3Low51.3Low66 Ų66114.2 Ų114.235%0.35354%0.544SS..  trans-8996.1177.3-158-30000108.7F122 K123 F128 G129 Q130F122-D126 PolarHBondContact O-N 2.68Å; F122-D126 VanDerWaalsContact O-N 3.09Å; K123-D126 PolarHBondContact O-N 3.44Å; D126-F128 PolarHBondContact O-N 3.31Å; D126-F128 WeakPolarHBondContact OD1-CB 3.5Å; D126-F128 PolarHBondContact OD1-N 2.97Å; D126-G129 PolarHBondContact O-N 3.31Å; D126-Q130 PolarHBondContact O-N 2.91Å
127P54.2Low50.6Low75 Ų75121.8 Ų121.849%0.48758%0.58SS.*THydrogen-bonded Turntrans-63.1-13.5179.627.8-36.3000112.1F125F125-P127 WeakPolarHBondContact O-CD 3.37Å
128F52.7Low49.9Very low173 Ų173122.2 Ų122.276%0.75959%0.59SS**THydrogen-bonded Turntrans-92.1-14174.4-67.2-82.9000113.3D126D126-F128 PolarHBondContact O-N 3.31Å; D126-F128 WeakPolarHBondContact OD1-CB 3.5Å; D126-F128 PolarHBondContact OD1-N 2.97Å
129G49.8Very low49.2Very low38 Ų38125.5 Ų125.539%0.39261%0.607SS.*THydrogen-bonded Turntrans-86.2-29177.600000114.2D126 Q131D126-G129 PolarHBondContact O-N 3.31Å; G129-Q131 VanDerWaalsContact C-N 3.3Å; G129-Q131 PolarHBondContact O-N 3.25Å
130Q47Very low48.5Very low113 Ų113128.4 Ų128.453%0.52862%0.617SS.*G310 helixtrans-75.4-15.4-173.2-133.8162.73300114D126 R132D126-Q130 PolarHBondContact O-N 2.91Å; Q130-R132 VanDerWaalsContact C-N 3.27Å; Q130-R132 PolarHBondContact O-N 3.45Å
131Q45.3Very low47.6Very low176 Ų176132.8 Ų132.882%0.82264%0.635SS**G310 helixtrans-86.719.1-178.6-157.4153.4-2.700114.4G129G129-Q131 VanDerWaalsContact C-N 3.3Å; G129-Q131 PolarHBondContact O-N 3.25Å
132R49.3Very low47Very low231 Ų231135.1 Ų135.187%0.87266%0.658SS**G310 helixtrans-127.9-2.5177-70.2-162.5-169-148.74.5117Q130Q130-R132 VanDerWaalsContact C-N 3.27Å; Q130-R132 PolarHBondContact O-N 3.45Å
133Q50.7Low46.5Very low166 Ų166139.4 Ų139.478%0.77668%0.679SS**SBendtrans-125.94-169.5-78.4-168.511.100118.3
134H38.5Very low46Very low162 Ų162143.8 Ų143.875%0.7570%0.701SS**SBendtrans-112.684.5173.1-73-73.6000112
135H36.2Very low45.5Very low186 Ų186146.6 Ų146.686%0.86171%0.707SS**  trans173.172.5142.2-93.730.4000110.5
136F36.9Very low45.3Very low208 Ų208154.6 Ų154.691%0.91274%0.735SS**  trans-114.681.9162.1-111.7-89.9000107.9
137H34.8Very low44.7Very low191 Ų191159.3 Ų159.388%0.88476%0.755SS**  trans-154.3118.6155.9-95.582.3000109.5
138S37.8Very low44.1Very low104 Ų104163.1 Ų163.173%0.72776%0.764SS**  trans73.7113.4149.9-1610000121.5
139H39.8Very low43.9Very low170 Ų170159.6 Ų159.679%0.78775%0.753SS**  trans71.5130.2143.1-88-71.6000122.9
140H38.8Very low43.8Very low156 Ų156161.5 Ų161.572%0.72276%0.761SS**  trans94.7105.3159.4-86.7-78000120.9
141Q41.1Very low43.8Very low153 Ų153162.9 Ų162.972%0.71577%0.767SS**  90.371.6125.3-137.1162.633.600119.6H143Q141-H143 VanDerWaalsContact C-N 3.27Å; Q141-H143 PolarHBondContact O-N 3.12Å
142S47.3Very low44Very low115 Ų115160.7 Ų160.780%0.80476%0.755SS**  30.68.8125.562.10000124.8
143H47.1Very low44.2Very low169 Ų169155.9 Ų155.978%0.78274%0.742SS**  trans-127.213.8-171.7-104.8-76.3000119.2Q141Q141-H143 VanDerWaalsContact C-N 3.27Å; Q141-H143 PolarHBondContact O-N 3.12Å
144Q48.3Very low44Very low180 Ų180150.9 Ų150.984%0.84173%0.729SS**SBendtrans-119.73.1177.1-84.8-179.8-8.800116.1R146Q144-R146 VanDerWaalsContact C-N 3.32Å; Q144-R146 PolarHBondContact O-N 3.07Å
145K46.3Very low44.5Very low179 Ų179148.7 Ų148.778%0.77872%0.719SS**THydrogen-bonded Turntrans-77.8-8.2-172.8-138.4178.2-176.8-174.90115.4
146R50.3Low45.2Very low236 Ų236147 Ų14789%0.89171%0.709SS**THydrogen-bonded Turntrans-94.1-10.6-176.7-62.3-168.7-167.8179.84.8114.8Q144Q144-R146 VanDerWaalsContact C-N 3.32Å; Q144-R146 PolarHBondContact O-N 3.07Å
147H45.9Very low45.6Very low164 Ų164143.6 Ų143.676%0.75970%0.696SS**THydrogen-bonded Turntrans-102.8-6.7-172.7-131.2-75.4000114.5
148F41.9Very low46.1Very low155 Ų155137.2 Ų137.268%0.6868%0.677SS**THydrogen-bonded Turntrans-100.7-34-180-158.9-95.8000112.7S150 H151 F152F148-S150 VanDerWaalsContact C-N 3.34Å; F148-S150 PolarHBondContact O-N 2.73Å; F148-H151 PolarHBondContact O-N 3.03Å; F148-F152 PolarHBondContact O-N 2.95Å
149D49.2Very low46.6Very low99 Ų99138.3 Ų138.353%0.52967%0.672SS.*Hα-helixtrans-65.1-35178.8-76.6-29.3000112.4H151 Q153D149-H151 VanDerWaalsContact C-N 3.3Å; D149-H151 PolarHBondContact O-N 3.28Å; D149-Q153 PolarHBondContact O-N 3.24Å
150S48.2Very low47Very low79 Ų79135.4 Ų135.455%0.55266%0.662SS**Hα-helixtrans-70.6-24.617868.80000113.6F148F148-S150 VanDerWaalsContact C-N 3.34Å; F148-S150 PolarHBondContact O-N 2.73Å
151H47.3Very low47.5Very low141 Ų141138.4 Ų138.465%0.65367%0.667SS**Hα-helixtrans-88.5-29.6-178-151.8-74.1000112.4F148 D149F148-H151 PolarHBondContact O-N 3.03Å; D149-H151 VanDerWaalsContact C-N 3.3Å; D149-H151 PolarHBondContact O-N 3.28Å
152F47.6Very low47.7Very low131 Ų131138.9 Ų138.958%0.57567%0.669SS**Hα-helixtrans-78.7-33.8177.3-159.8-98.5000112.4F148 H155 K156F148-F152 PolarHBondContact O-N 2.95Å; F152-H155 PolarHBondContact O-N 3.02Å; F152-K156 PolarHBondContact O-N 3.01Å
153Q54.3Low47.4Very low130 Ų130143.2 Ų143.261%0.60767%0.668SS**Hα-helixtrans-65.1-42.3177.8-143.3113.97.100111.8D149 H155 K156 E157D149-Q153 PolarHBondContact O-N 3.24Å; Q153-H155 VanDerWaalsContact C-N 3.31Å; Q153-H155 PolarHBondContact O-N 3.08Å; Q153-K156 PolarHBondContact O-N 3.36Å; Q153-E157 PolarHBondContact O-N 3.09Å
154A47.5Very low47.3Very low61 Ų61146.1 Ų146.150%0.50467%0.672SS.*Hα-helixtrans-64.4-33.7177.500000112.8A158A154-A158 PolarHBondContact O-N 3.23Å
155H47.2Very low47Very low115 Ų115142.8 Ų142.853%0.53267%0.669SS.*Hα-helixtrans-76.4-24.2178.4-143.3-73.2000113.1F152 Q153 M159F152-H155 PolarHBondContact O-N 3.02Å; Q153-H155 VanDerWaalsContact C-N 3.31Å; Q153-H155 PolarHBondContact O-N 3.08Å; H155-M159 PolarHBondContact O-N 2.91Å
156K51.2Low46.6Very low150 Ų150141.6 Ų141.665%0.65266%0.664SS**Hα-helixtrans-74.4-32.7175-145.5174.7-173.3177.50111.8F152 Q153 N160F152-K156 PolarHBondContact O-N 3.01Å; Q153-K156 PolarHBondContact O-N 3.36Å; K156-N160 PolarHBondContact O-N 3.34Å
157E45.1Very low46.5Very low137 Ų137139.2 Ų139.264%0.6466%0.663SS**Hα-helixtrans-76-32.9178.3-70.5-178.3177.200113.1Q153Q153-E157 PolarHBondContact O-N 3.09Å
158A45.2Very low46.4Very low58 Ų58140.7 Ų140.748%0.47967%0.67SS.*Hα-helixtrans-67.5-41173.700000112.3A154 N160 R161A154-A158 PolarHBondContact O-N 3.23Å; A158-N160 VanDerWaalsContact C-N 3.33Å; A158-N160 PolarHBondContact O-N 3.19Å; A158-R161 PolarHBondContact O-N 3.48Å
159M48.6Very low46Very low127 Ų127135.6 Ų135.663%0.62666%0.661SS**Hα-helixtrans-69.2-27.4178.1-76.2-144.1-16300113.8H155 R161 Q162 R163H155-M159 PolarHBondContact O-N 2.91Å; M159-R161 VanDerWaalsContact C-N 3.34Å; M159-Q162 PolarHBondContact O-N 2.87Å; M159-R163 PolarHBondContact O-N 3.48Å
160N49.7Very low45.5Very low109 Ų109136.8 Ų136.858%0.58368%0.678SS**Hα-helixtrans-79.3-16.3-178.2-132.914.6000113.4K156 A158K156-N160 PolarHBondContact O-N 3.34Å; A158-N160 VanDerWaalsContact C-N 3.33Å; A158-N160 PolarHBondContact O-N 3.19Å
161R49Very low44.7Very low218 Ų218139.7 Ų139.782%0.82368%0.681SS**Hα-helixtrans-80.2-35.4170.1-70.6-172.5-169.2-1613.1112.1A158 M159 R163A158-R161 PolarHBondContact O-N 3.48Å; M159-R161 VanDerWaalsContact C-N 3.34Å; R161-R163 PolarHBondContact O-N 3.26Å
162Q43.7Very low44.3Very low164 Ų164136.1 Ų136.177%0.76668%0.681SS**Hα-helixtrans-73.6-17.8177.6-142.5151-29.500112.5M159 R164M159-Q162 PolarHBondContact O-N 2.87Å; Q162-R164 VanDerWaalsContact C-N 3.32Å; Q162-R164 PolarHBondContact O-N 2.99Å
163R42.3Very low44.2Very low205 Ų205134.3 Ų134.377%0.77470%0.7SS**THydrogen-bonded Turntrans-82.56.6178-140-178.6-175.2-166.41.5115.5M159 R161M159-R163 PolarHBondContact O-N 3.48Å; R161-R163 PolarHBondContact O-N 3.26Å
164R45.5Very low43.6Very low230 Ų230129.8 Ų129.887%0.86869%0.688SS**THydrogen-bonded Turntrans-103.4-1.1173.3-71.9-162.9178.2-164.60.6114.9Q162Q162-R164 VanDerWaalsContact C-N 3.32Å; Q162-R164 PolarHBondContact O-N 2.99Å
165S41Very low43.5Very low111 Ų111132.2 Ų132.278%0.77669%0.691SS**SBendtrans-112.88.1178.8-169.70000114.6
166F39.1Very low43.4Very low153 Ų153134.8 Ų134.867%0.67170%0.701SS**  trans-129.254.7174.7-154-95.1000110.3F171F166-F171 HydrophobicContact CD1-CE2 4.27Å; F166-F171 HydrophobicContact CD1-CZ 4.36Å; F166-F171 AromaticContact CE1-CE2 3.65Å; F166-F171 HydrophobicContact CE1-CE2 3.65Å; F166-F171 AromaticContact CE1-CZ 3.64Å; F166-F171 HydrophobicContact CE1-CZ 3.64Å
167Q47.5Very low43.2Very low187 Ų187132 Ų13287%0.87469%0.693SS**  trans-116.288.5163.7-173.4172.354.500106.2
168Q43.2Very low43.4Very low194 Ų194130.5 Ų130.591%0.90769%0.689SS**  trans161.4101.3148.1-172.7158.770.900109.1
169G33.5Very low43.8Very low48 Ų48134.9 Ų134.950%0.49570%0.702SS.*  trans164.188.617700000112F171G169-F171 PolarHBondContact O-N 3.25Å
170S38.2Very low43.9Very low125 Ų125131.7 Ų131.787%0.87468%0.684SS**  trans-20.2109.7168.6-164.60000115.5G172S170-G172 VanDerWaalsContact C-N 3.34Å; S170-G172 PolarHBondContact O-N 3.07Å
171F32.3Very low43.8Very low140 Ų140131.9 Ų131.961%0.61468%0.682SS**  trans-80.280.6173.1-84.6-94.7000110.4F166 G169 M175F166-F171 HydrophobicContact CD1-CE2 4.27Å; F166-F171 HydrophobicContact CD1-CZ 4.36Å; F166-F171 AromaticContact CE1-CE2 3.65Å; F166-F171 HydrophobicContact CE1-CE2 3.65Å; F166-F171 AromaticContact CE1-CZ 3.64Å; F166-F171 HydrophobicContact CE1-CZ 3.64Å; G169-F171 PolarHBondContact O-N 3.25Å; F171-M175 HydrophobicContact CD1-CE 3.47Å; F171-M175 VanDerWaalsContact CD1-CE 3.47Å; F171-M175 HydrophobicContact CD1-CG 3.8Å; F171-M175 HydrophobicContact CD1-SD 4.04Å; F171-M175 HydrophobicContact CE1-CE 3.27Å; F171-M175 HydrophobicContact CE1-CG 4.02Å; F171-M175 HydrophobicContact CE1-SD 3.69Å; F171-M175 HydrophobicContact CZ-CE 4.29Å
172G39.4Very low43.8Very low65 Ų65126.8 Ų126.867%0.6767%0.671SS**  trans-97.9115.7167.100000111.4S170 G174S170-G172 VanDerWaalsContact C-N 3.34Å; S170-G172 PolarHBondContact O-N 3.07Å; G172-G174 PolarHBondContact O-N 2.9Å; G172-G174 VanDerWaalsContact O-N 3.1Å
173G43.9Very low44.2Very low94 Ų94122.1 Ų122.197%0.96965%0.651SS**SBendtrans74.3-1.6141.100000122.1
174G42Very low44.4Very low35 Ų35115.9 Ų115.936%0.36163%0.63SS.*  trans-108.9-26.5-175.800000117.4G172 F176 D177G172-G174 PolarHBondContact O-N 2.9Å; G172-G174 VanDerWaalsContact O-N 3.1Å; G174-F176 VanDerWaalsContact C-N 3.31Å; G174-F176 PolarHBondContact O-N 3.18Å; G174-F176 VanDerWaalsContact O-N 3.16Å; G174-D177 PolarHBondContact O-N 2.96Å
175M46.7Very low44.7Very low111 Ų111112.1 Ų112.155%0.54762%0.62SS.*Hα-helixtrans-75.3-10.9-161-51.5-80.5162.700115.7F171 M179F171-M175 HydrophobicContact CD1-CE 3.47Å; F171-M175 VanDerWaalsContact CD1-CE 3.47Å; F171-M175 HydrophobicContact CD1-CG 3.8Å; F171-M175 HydrophobicContact CD1-SD 4.04Å; F171-M175 HydrophobicContact CE1-CE 3.27Å; F171-M175 HydrophobicContact CE1-CG 4.02Å; F171-M175 HydrophobicContact CE1-SD 3.69Å; F171-M175 HydrophobicContact CZ-CE 4.29Å; M175-M179 WeakPolarHBondContact O-CG 3.5Å
176F44.1Very low44.9Very low170 Ų170114.3 Ų114.375%0.74662%0.62SS**Hα-helixtrans-95.3-22.1-177.1-75.7-84.9000113.3G174G174-F176 VanDerWaalsContact C-N 3.31Å; G174-F176 PolarHBondContact O-N 3.18Å; G174-F176 VanDerWaalsContact O-N 3.16Å
177D47.5Very low45.2Very low92 Ų92114.3 Ų114.349%0.49262%0.62SS.*Hα-helixtrans-76.4-41.4175.5-112-59.6000110.7K44 G174 M179 F180 E181K44-D177 IonicContact NZ-OD1 3.4Å; K44-D177 PolarHBondContact NZ-OD1 3.39Å; G174-D177 PolarHBondContact O-N 2.96Å; D177-M179 PolarHBondContact O-N 3.34Å; D177-F180 PolarHBondContact O-N 2.97Å; D177-E181 PolarHBondContact O-N 3.09Å
178D48.2Very low44.7Very low105 Ų105108.9 Ų108.956%0.56160%0.603SS**Hα-helixtrans-63-37.6178.9-69.8-50.1000113.1F180 E181 D182D178-F180 VanDerWaalsContact C-N 3.3Å; D178-F180 PolarHBondContact O-N 3.21Å; D178-E181 PolarHBondContact O-N 2.98Å; D178-D182 WeakPolarHBondContact O-CB 3.34Å; D178-D182 PolarHBondContact O-N 3.46Å
179M55.3Low44.6Very low150 Ų150109.1 Ų109.174%0.73960%0.601SS**Hα-helixtrans-67.5-28.1179.9-75.2-81.4-169.500113.2M175 D177M175-M179 WeakPolarHBondContact O-CG 3.5Å; D177-M179 PolarHBondContact O-N 3.34Å
180F50Low44.7Very low60 Ų60113.1 Ų113.126%0.26361%0.611SS.*Hα-helixtrans-85.5-36.1179.4-174.7-92000111.5K44 D177 D178 L183 E184K44-F180 HydrophobicContact CB-CE1 4.42Å; K44-F180 HydrophobicContact CB-CE2 4.2Å; K44-F180 HydrophobicContact CB-CZ 3.93Å; K44-F180 HydrophobicContact CD-CD1 3.74Å; K44-F180 HydrophobicContact CD-CE1 3.63Å; K44-F180 HydrophobicContact CD-CE2 4.5Å; K44-F180 HydrophobicContact CD-CG 4.24Å; K44-F180 HydrophobicContact CD-CZ 4.02Å; K44-F180 HydrophobicContact CG-CD1 4.39Å; K44-F180 HydrophobicContact CG-CD2 4.4Å; K44-F180 HydrophobicContact CG-CE1 4.19Å; K44-F180 HydrophobicContact CG-CE2 4.18Å; K44-F180 HydrophobicContact CG-CG 4.49Å; K44-F180 HydrophobicContact CG-CZ 4.06Å; D177-F180 PolarHBondContact O-N 2.97Å; D178-F180 VanDerWaalsContact C-N 3.3Å; D178-F180 PolarHBondContact O-N 3.21Å; F180-L183 PolarHBondContact O-N 2.94Å; F180-E184 PolarHBondContact O-N 3.11Å; F180-E184 VanDerWaalsContact O-N 3.14Å
181E47.6Very low45Very low112 Ų112113.1 Ų113.152%0.52361%0.606SS.*Hα-helixtrans-71.5-34.2177.6-155.6169.5174.600112.1D177 D178 L183 E184 K185D177-E181 PolarHBondContact O-N 3.09Å; D178-E181 PolarHBondContact O-N 2.98Å; E181-L183 VanDerWaalsContact C-N 3.33Å; E181-E184 PolarHBondContact O-N 3.17Å; E181-K185 PolarHBondContact O-N 3.39Å
182D48.3Very low45Very low111 Ų111113.8 Ų113.859%0.59461%0.611SS**Hα-helixtrans-68.6-31.1171.5-107.2-0.4000112.6D178 K185 M186D178-D182 WeakPolarHBondContact O-CB 3.34Å; D178-D182 PolarHBondContact O-N 3.46Å; D182-K185 PolarHBondContact O-N 3.4Å; D182-M186 PolarHBondContact O-N 3.09Å; D182-M186 VanDerWaalsContact O-N 3.09Å
183L52.4Low45.2Very low67 Ų67118 Ų11835%0.35162%0.624SS.*Hα-helixtrans-69.6-37174.3-158.765.2000110.9F180 E181 M186 F187F180-L183 PolarHBondContact O-N 2.94Å; E181-L183 VanDerWaalsContact C-N 3.33Å; L183-M186 PolarHBondContact O-N 3.31Å; L183-F187 HydrophobicContact CD1-CD2 4.2Å; L183-F187 HydrophobicContact CD1-CE2 3.65Å; L183-F187 HydrophobicContact CG-CD2 3.98Å; L183-F187 HydrophobicContact CG-CE2 3.82Å; L183-F187 WeakPolarHBondContact O-CD2 3.44Å; L183-F187 PolarHBondContact O-N 3.46Å; L183-F187 VanDerWaalsContact O-N 3.12Å
184E47.6Very low44.8Very low74 Ų74117.5 Ų117.535%0.34661%0.605SS.*Hα-helixtrans-72.5-29.6177.6-153.7166.9-161.400113R40 F180 E181 S188R40-E184 WeakPolarHBondContact CD-OE1 2.97Å; R40-E184 IonicContact CZ-OE1 3.9Å; R40-E184 IonicContact NE-OE1 3.64Å; R40-E184 IonicContact NH1-OE1 2.79Å; R40-E184 PolarHBondContact NH1-OE1 2.75Å; F180-E184 PolarHBondContact O-N 3.11Å; F180-E184 VanDerWaalsContact O-N 3.14Å; E181-E184 PolarHBondContact O-N 3.17Å; E184-S188 WeakPolarHBondContact O-CB 2.93Å; E184-S188 PolarHBondContact O-N 3.45Å; E184-S188 VanDerWaalsContact O-N 3.12Å; E184-S188 PolarHBondContact O-OG 3.46Å
185K51Low44.9Very low151 Ų151127.6 Ų127.666%0.65763%0.633SS**Hα-helixtrans-69.9-30.5167.6-87.6175.8-177.8158.50113.3E181 D182E181-K185 PolarHBondContact O-N 3.39Å; D182-K185 PolarHBondContact O-N 3.4Å
186M45.5Very low44.4Very low157 Ų157128 Ų12877%0.77364%0.642SS**Hα-helixtrans-77.2-30.1178.6-136.1175.4-145.900112.7D182 L183D182-M186 PolarHBondContact O-N 3.09Å; D182-M186 VanDerWaalsContact O-N 3.09Å; L183-M186 PolarHBondContact O-N 3.31Å
187F45.7Very low44.5Very low152 Ų152128.6 Ų128.667%0.66765%0.647SS**Hα-helixtrans-99-2.7179.8-72-70.2000114.9L183 F189L183-F187 HydrophobicContact CD1-CD2 4.2Å; L183-F187 HydrophobicContact CD1-CE2 3.65Å; L183-F187 HydrophobicContact CG-CD2 3.98Å; L183-F187 HydrophobicContact CG-CE2 3.82Å; L183-F187 WeakPolarHBondContact O-CD2 3.44Å; L183-F187 PolarHBondContact O-N 3.46Å; L183-F187 VanDerWaalsContact O-N 3.12Å; F187-F189 PolarHBondContact O-N 3.42Å
188S36.2Very low44.2Very low74 Ų74129 Ų12952%0.51766%0.657SS.*  trans-74.674.9166.8-69.60000110.1E184 N190E184-S188 WeakPolarHBondContact O-CB 2.93Å; E184-S188 PolarHBondContact O-N 3.45Å; E184-S188 VanDerWaalsContact O-N 3.12Å; E184-S188 PolarHBondContact O-OG 3.46Å; S188-N190 PolarHBondContact O-N 3.04Å
189F40.7Very low44Very low199 Ų199133.8 Ų133.887%0.87367%0.667SS**  trans-71.561.5166.4-137.1-88000108.9F187 T191F187-F189 PolarHBondContact O-N 3.42Å; F189-T191 PolarHBondContact O-N 2.91Å
190N36.2Very low43.2Very low131 Ų131136 Ų13670%0.70167%0.673SS**  trans-73.4118.5168.1-115.6-6.1000107S188 H192S188-N190 PolarHBondContact O-N 3.04Å; N190-H192 VanDerWaalsContact C-N 3.25Å; N190-H192 PolarHBondContact O-N 2.95Å
191T44.8Very low43.2Very low125 Ų125140.8 Ų140.877%0.76770%0.696SS**  trans-55.585.5168.9450000110.2F189F189-T191 PolarHBondContact O-N 2.91Å
192H32.8Very low42.7Very low155 Ų155140.6 Ų140.672%0.71871%0.707SS**  trans-127.7102.4161.9-84.6-75.3000108.9N190 S194N190-H192 VanDerWaalsContact C-N 3.25Å; N190-H192 PolarHBondContact O-N 2.95Å; H192-S194 VanDerWaalsContact C-N 3.28Å; H192-S194 PolarHBondContact O-N 3.14Å
193T43Very low42.8Very low152 Ų152140.8 Ų140.893%0.93372%0.717SS**  trans-55.391.9159.747.10000109
194S35.6Very low42.8Very low84 Ų84143.5 Ų143.559%0.58774%0.736SS**  trans-131.191.7170.9166.10000108.4H192 T196H192-S194 VanDerWaalsContact C-N 3.28Å; H192-S194 PolarHBondContact O-N 3.14Å; S194-T196 PolarHBondContact O-N 3.16Å
195R44.6Very low43.4Very low247 Ų247150.4 Ų150.493%0.93277%0.765SS**  trans-34103.9156.1-117.7175.4169.2171.5-4.1109.1
196T36.3Very low44.2Very low120 Ų120148.7 Ų148.774%0.73676%0.759SS**  trans-109101.116545.30000106.8S194 S198S194-T196 PolarHBondContact O-N 3.16Å; T196-S198 PolarHBondContact O-N 2.82Å
197E44.9Very low45.3Very low182 Ų182148 Ų14885%0.8575%0.754SS**  trans-60.998.8164.9-76.5-175.1141.500108.1R199E197-R199 PolarHBondContact O-N 3.18Å
198S41.1Very low47Very low100 Ų100144.3 Ų144.370%0.69975%0.746SS**  trans-74.881.9163.547.40000108.5T196 F200T196-S198 PolarHBondContact O-N 2.82Å; S198-F200 VanDerWaalsContact C-N 3.26Å; S198-F200 PolarHBondContact O-N 2.98Å
199R45.2Very low49.1Very low206 Ų206148.3 Ų148.378%0.77775%0.75SS**  trans-6985.2169.8-160.9-180-158.61787.2108.7E197 Q201E197-R199 PolarHBondContact O-N 3.18Å; R199-Q201 PolarHBondContact O-N 2.79Å; R199-Q201 VanDerWaalsContact O-N 3.09Å
200F37.3Very low51.1Low196 Ų196143.6 Ų143.686%0.8674%0.738SS**  trans-67.1102.2164.3-96.8-92.3000108.6S198S198-F200 VanDerWaalsContact C-N 3.26Å; S198-F200 PolarHBondContact O-N 2.98Å
201Q50Low53.4Low162 Ų162139.3 Ų139.376%0.75772%0.716SS**  trans-89.1102.1163.5-81.2-173.1-15.400108.7R199R199-Q201 PolarHBondContact O-N 2.79Å; R199-Q201 VanDerWaalsContact O-N 3.09Å
202S37.6Very low55.3Low108 Ų108137.4 Ų137.476%0.75570%0.704SS**  trans-148.2104.1152.3-166.10000109.5
203S49.8Very low57.6Low115 Ų115133.9 Ų133.980%0.80469%0.688SS**SBendtrans30.685.2151.6-169.50000118.9
204V53.2Low59.6Low124 Ų124135.2 Ų135.275%0.75268%0.676SS**  164115.4123.5167.10000104Q206V204-Q206 VanDerWaalsContact C-N 3.33Å; V204-Q206 PolarHBondContact O-N 3.24Å
205K60.3Low61.9Low219 Ų219140 Ų14095%0.95268%0.681SS**  trans-70.281.6-170.6-69.8178.1179.3176.10111.5
206Q67.4Low63.8Low115 Ų115131.2 Ų131.254%0.53767%0.667SS.*  trans-114.4118159.8-70-152-44.100109.4V204 C208 S226V204-Q206 VanDerWaalsContact C-N 3.33Å; V204-Q206 PolarHBondContact O-N 3.24Å; Q206-C208 PolarHBondContact O-N 2.86Å; Q206-C208 VanDerWaalsContact O-N 3.13Å; Q206-S226 WeakPolarHBondContact CA-O 3.39Å; Q206-S226 WeakPolarHBondContact CB-O 3.14Å; Q206-S226 WeakPolarHBondContact CG-O 3.48Å; Q206-S226 VanDerWaalsContact NE2-C 3.33Å; Q206-S226 PolarHBondContact NE2-OXT 3.16Å
207H69.7Low66.1Low142 Ų142133.1 Ų133.166%0.65767%0.673SS**  trans-82.194-176.661.766.7000109.1S226H207-S226 PolarHBondContact CD2-OG 3.25Å; H207-S226 VanDerWaalsContact CE1-CB 3.44Å; H207-S226 WeakPolarHBondContact CE1-CB 3.16Å; H207-S226 PolarHBondContact CE1-OG 3.3Å; H207-S226 PolarHBondContact N-O 2.94Å; H207-S226 PolarHBondContact ND1-OG 3.42Å; H207-S226 PolarHBondContact NE2-OG 2.74Å
208C80.7Confident66.5Low75 Ų75130.8 Ų130.851%0.50766%0.664SS.*EExtended strand (participates in β ladder)trans-80127.1173.5-62.50000110.4Q206 T223 D224 C225Q206-C208 PolarHBondContact O-N 2.86Å; Q206-C208 VanDerWaalsContact O-N 3.13Å; C208-T223 HydrophobicContact CB-CG2 4.12Å; C208-D224 CarbonylContact C-O 3.55Å; C208-D224 VanDerWaalsContact CA-O 3.31Å; C208-D224 WeakPolarHBondContact CA-O 3.09Å; C208-C225 HydrophobicContact CB-CB 4.08Å; C208-C225 WeakPolarHBondContact CB-SG 3.45Å; C208-C225 WeakPolarHBondContact SG-CB 3.31Å; C208-C225 CovalentContact SG-SG 2.03Å; C208-C225 PolarHBondContact SG-SG 3.26Å
209R80.9Confident68.4Low158 Ų158130.1 Ų130.160%0.59666%0.655SS**EExtended strand (participates in β ladder)trans-124.3140.3169.564176.3-176.3177.5-0.4110.2V211 D224R209-V211 HydrophobicContact CG-CG2 3.97Å; R209-V211 PolarHBondContact O-N 2.78Å; R209-D224 HydrophobicContact CG-CB 4.42Å; R209-D224 PolarHBondContact N-O 3.03Å; R209-D224 IonicContact NE-OD2 2.76Å; R209-D224 IonicContact NH2-OD2 3.95Å; R209-D224 PolarHBondContact O-N 3.39Å
210T80.9Confident70Confident100 Ų100123.9 Ų123.961%0.61364%0.64SS**EExtended strand (participates in β ladder)trans-79.3122.7172.6-50.20000108.9T221T210-T221 HydrophobicContact CG2-CG2 3.37Å
211V84.4Confident72.2Confident40 Ų40118.7 Ų118.724%0.24263%0.625CS.*EExtended strand (participates in β ladder)trans-115.3126.4178-175.40000108.8R209 F222 D224R209-V211 HydrophobicContact CG-CG2 3.97Å; R209-V211 PolarHBondContact O-N 2.78Å; V211-F222 HydrophobicContact CB-CE2 4.34Å; V211-F222 HydrophobicContact CB-CZ 4.35Å; V211-F222 HydrophobicContact CG1-CZ 4.36Å; V211-F222 PolarHBondContact N-O 3.45Å; V211-F222 PolarHBondContact O-N 3.29Å; V211-F222 VanDerWaalsContact O-O 3.12Å; V211-D224 HydrophobicContact CG2-CB 4.03Å
212T85.3Confident73.6Confident85 Ų85115.4 Ų115.452%0.52161%0.608SS.*EExtended strand (participates in β ladder)trans-101.7116.6171.9-58.40000108.5V219 T221T212-V219 HydrophobicContact CG2-CG1 3.26Å; T212-T221 PolarHBondContact OG1-OG1 3.38Å; T212-T221 VanDerWaalsContact OG1-OG1 3.09Å
213Q82.2Confident75.8Confident82 Ų82114.8 Ų114.838%0.38360%0.6SS.*EExtended strand (participates in β ladder)trans-109.7130.8176.9-170.5172.254.800110.3R215 T220 F222Q213-R215 HydrophobicContact CG-CG 4.35Å; Q213-T220 PolarHBondContact N-O 3.38Å; Q213-T220 PolarHBondContact O-N 3.39Å; Q213-F222 HydrophobicContact CB-CE1 4Å
214R84.1Confident76.9Confident180 Ų180112.4 Ų112.468%0.67958%0.578SS**EExtended strand (participates in β ladder)trans-102.6121.7172.4-173172.4-178.1175.42.2109.7G216 M218 V219R214-G216 PolarHBondContact NE-O 3.37Å; R214-M218 CarbonylContact C-O 3.4Å; R214-M218 WeakPolarHBondContact CA-O 3.2Å; R214-V219 HydrophobicContact CB-CG2 4.12Å; R214-V219 HydrophobicContact CG-CG2 3.8Å
215R83.8Confident78.3Confident184 Ų184109.3 Ų109.369%0.69456%0.561SS**EExtended strand (participates in β ladder)trans-121.8109170.3-67.3-167-175.5-160.91.8108.7Q213 N217 M218Q213-R215 HydrophobicContact CG-CG 4.35Å; R215-N217 PolarHBondContact O-N 3.32Å; R215-M218 PolarHBondContact N-O 3.21Å; R215-M218 PolarHBondContact O-N 3.23Å
216G84.9Confident78.8Confident62 Ų62102.7 Ų102.764%0.63954%0.543SS*.THydrogen-bonded Turntrans60.7-126.4-172.100000111.9R214R214-G216 PolarHBondContact NE-O 3.37Å
217N84.9Confident79.3Confident161 Ų161102.1 Ų102.186%0.86154%0.543SS*.THydrogen-bonded Turntrans-87.60.2178-773.7000114.1R215R215-N217 PolarHBondContact O-N 3.32Å
218M52.8Low79.8Confident133 Ų133100 Ų10066%0.65554%0.537SS*.EExtended strand (participates in β ladder)trans-102.3132.7179.7-170.1174.3-78.800110.7R214 R215R214-M218 CarbonylContact C-O 3.4Å; R214-M218 WeakPolarHBondContact CA-O 3.2Å; R215-M218 PolarHBondContact N-O 3.21Å; R215-M218 PolarHBondContact O-N 3.23Å
219V82Confident79.8Confident85 Ų85101.4 Ų101.452%0.51554%0.539SS..EExtended strand (participates in β ladder)trans-113.5119.3173.3179.30000107.9T212 R214T212-V219 HydrophobicContact CG2-CG1 3.26Å; R214-V219 HydrophobicContact CB-CG2 4.12Å; R214-V219 HydrophobicContact CG-CG2 3.8Å
220T78Confident79.7Confident76 Ų7698.1 Ų98.147%0.46654%0.535SS..EExtended strand (participates in β ladder)trans-119.8124.7-177.5-23.30000108.9Q213Q213-T220 PolarHBondContact N-O 3.38Å; Q213-T220 PolarHBondContact O-N 3.39Å
221T83.4Confident79.6Confident86 Ų8697.9 Ų97.953%0.52853%0.53SS..EExtended strand (participates in β ladder)trans-104.6124.1177.6-58.90000109T210 T212T210-T221 HydrophobicContact CG2-CG2 3.37Å; T212-T221 PolarHBondContact OG1-OG1 3.38Å; T212-T221 VanDerWaalsContact OG1-OG1 3.09Å
222F80.3Confident79.3Confident94 Ų94101.8 Ų101.841%0.41255%0.55SS..EExtended strand (participates in β ladder)trans-135.4154.517760.7-88.9000110.8V211 Q213 D224V211-F222 HydrophobicContact CB-CE2 4.34Å; V211-F222 HydrophobicContact CB-CZ 4.35Å; V211-F222 HydrophobicContact CG1-CZ 4.36Å; V211-F222 PolarHBondContact N-O 3.45Å; V211-F222 PolarHBondContact O-N 3.29Å; V211-F222 VanDerWaalsContact O-O 3.12Å; Q213-F222 HydrophobicContact CB-CE1 4Å; F222-D224 HydrophobicContact CE2-CB 4.34Å
223T82.2Confident78.9Confident94 Ų94103 Ų10358%0.57755%0.552SS**EExtended strand (participates in β ladder)trans-95.1117.5-180-52.20000108.7C208C208-T223 HydrophobicContact CB-CG2 4.12Å
224D73.4Confident78.6Confident66 Ų66104.6 Ų104.635%0.35356%0.564SS.*EExtended strand (participates in β ladder)trans-102114.8-179.5-175.619.5000108.8C208 R209 V211 F222C208-D224 CarbonylContact C-O 3.55Å; C208-D224 VanDerWaalsContact CA-O 3.31Å; C208-D224 WeakPolarHBondContact CA-O 3.09Å; R209-D224 HydrophobicContact CG-CB 4.42Å; R209-D224 PolarHBondContact N-O 3.03Å; R209-D224 IonicContact NE-OD2 2.76Å; R209-D224 IonicContact NH2-OD2 3.95Å; R209-D224 PolarHBondContact O-N 3.39Å; V211-D224 HydrophobicContact CG2-CB 4.03Å; F222-D224 HydrophobicContact CE2-CB 4.34Å
225C82.5Confident78.2Confident58 Ų5898.3 Ų98.339%0.39256%0.555SS.*EExtended strand (participates in β ladder)trans-116.9125.8-179.2-61.50000109.1C208C208-C225 HydrophobicContact CB-CB 4.08Å; C208-C225 WeakPolarHBondContact CB-SG 3.45Å; C208-C225 WeakPolarHBondContact SG-CB 3.31Å; C208-C225 CovalentContact SG-SG 2.03Å; C208-C225 PolarHBondContact SG-SG 3.26Å
226S69.9Low77.7Confident81 Ų8190.5 Ų90.557%0.56654%0.542SS*.  trans-980173.7660000112.6Q206 H207Q206-S226 WeakPolarHBondContact CA-O 3.39Å; Q206-S226 WeakPolarHBondContact CB-O 3.14Å; Q206-S226 WeakPolarHBondContact CG-O 3.48Å; Q206-S226 VanDerWaalsContact NE2-C 3.33Å; Q206-S226 PolarHBondContact NE2-OXT 3.16Å; H207-S226 PolarHBondContact CD2-OG 3.25Å; H207-S226 VanDerWaalsContact CE1-CB 3.44Å; H207-S226 WeakPolarHBondContact CE1-CB 3.16Å; H207-S226 PolarHBondContact CE1-OG 3.3Å; H207-S226 PolarHBondContact N-O 2.94Å; H207-S226 PolarHBondContact ND1-OG 3.42Å; H207-S226 PolarHBondContact NE2-OG 2.74Å

Retrieved 226 of 226 residues in 108.9 ms (Link to these results)

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