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Ubiquitin-like-conjugating enzyme ATG10

E2-like enzyme involved in autophagy. Acts as an E2-like enzyme that catalyzes the conjugation of ATG12 to ATG5. ATG12 conjugation to ATG5 is required for autophagy. Likely serves as an ATG5-recognition molecule. Not involved in ATG12 conjugation to ATG3. Plays a role in adenovirus-mediated cell lysis.

AlphaFold DB (A0A2K5LTV0), UniProt , Accession A0A096N278, Species PAPAN (Papio anubis, Olive baboon), Gene ATG10, Length 216 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
1M38.1Very low73.2Confident230 Ų230108 Ų108100%1.13354%0.536SS*.  0111.40-167.3176.6-66.200104.9E3M1-E3 PolarHBondContact O-N 2.84Å
2E48.8Very low75Confident195 Ų19599.2 Ų99.291%0.91149%0.492SS*.  trans-72.6111.7176.1-70.2175.6147.800106.5D4E2-D4 PolarHBondContact O-N 2.82Å
3E56.4Low76.5Confident127 Ų12796.3 Ų96.359%0.59348%0.477SS*.  trans-75.8122.6-179.9-61.2177.717400108.5M1 E5 R180M1-E3 PolarHBondContact O-N 2.84Å; E3-E5 PolarHBondContact O-N 2.96Å; E3-R180 IonicContact OE2-CZ 3.55Å; E3-R180 IonicContact OE2-NE 3.84Å; E3-R180 IonicContact OE2-NH1 2.67Å; E3-R180 PolarHBondContact OE2-NH1 2.87Å
4D57.8Low77.8Confident127 Ų12797.4 Ų97.468%0.67948%0.48SS*.  trans-39.4118.1-169.9-76.6-48000113.4E2 F6E2-D4 PolarHBondContact O-N 2.82Å; D4-F6 PolarHBondContact O-N 3.32Å
5E68.8Low78.9Confident69 Ų6993.9 Ų93.932%0.32246%0.459SS..SBendtrans-81.52.2173.3-57.5-160.3143.300112.3E3 N169 A173 K177E3-E5 PolarHBondContact O-N 2.96Å; E5-N169 PolarHBondContact O-ND2 3.49Å; E5-N169 PolarHBondContact O-OD1 3.11Å; E5-A173 HydrophobicContact CB-CB 4.47Å; E5-A173 HydrophobicContact CG-CB 4.44Å; E5-K177 VanDerWaalsContact OE1-CE 3.25Å; E5-K177 WeakPolarHBondContact OE1-CE 3.36Å; E5-K177 IonicContact OE1-NZ 2.6Å; E5-K177 PolarHBondContact OE1-NZ 3.13Å
6F78.4Confident80Confident87 Ų8788.1 Ų88.138%0.38243%0.431SS..SBendtrans-113.7162.2-172.9-59.6-78.1000111.2D4 Y106 Q107 N169D4-F6 PolarHBondContact O-N 3.32Å; F6-Y106 VanDerWaalsContact CD1-O 3.29Å; F6-Y106 WeakPolarHBondContact CD1-O 3.39Å; F6-Y106 WeakPolarHBondContact CE1-O 3.38Å; F6-Q107 HydrophobicContact CB-CB 3.72Å; F6-Q107 HydrophobicContact CD1-CB 3.76Å; F6-Q107 HydrophobicContact CG-CB 4.02Å; F6-N169 VanDerWaalsContact CD1-ND2 3.26Å; F6-N169 WeakPolarHBondContact CD1-ND2 3.34Å; F6-N169 WeakPolarHBondContact CE1-ND2 3.37Å
7I87.9Confident80.9Confident11 Ų1186.4 Ų86.46%0.05643%0.434CS..  trans-116.1131168.460.6173.3000109.7F12 Y15 Y102 Q107 Y188I7-F12 HydrophobicContact CD1-CB 3.87Å; I7-F12 HydrophobicContact CD1-CD2 4.24Å; I7-F12 HydrophobicContact CG1-CB 4.41Å; I7-Y15 HydrophobicContact CG2-CE2 4.5Å; I7-Y102 HydrophobicContact CG1-CE2 4.45Å; I7-Y102 WeakPolarHBondContact O-CE2 3.46Å; I7-Y102 PolarHBondContact O-OH 3.2Å; I7-Q107 PolarHBondContact N-O 3.4Å; I7-Q107 VanDerWaalsContact N-O 3.08Å; I7-Y188 HydrophobicContact CD1-CD1 3.81Å; I7-Y188 HydrophobicContact CD1-CD2 4.24Å; I7-Y188 HydrophobicContact CD1-CE1 4.03Å; I7-Y188 HydrophobicContact CD1-CE2 4.39Å; I7-Y188 HydrophobicContact CD1-CG 3.94Å; I7-Y188 HydrophobicContact CG1-CE2 4.49Å; I7-Y188 HydrophobicContact CG2-CD2 3.41Å; I7-Y188 VanDerWaalsContact CG2-CD2 3.41Å; I7-Y188 HydrophobicContact CG2-CE2 3.59Å; I7-Y188 HydrophobicContact CG2-CG 4.07Å
8G91.6Very high81.7Confident33 Ų3384.8 Ų84.834%0.3443%0.425SS..  trans-70.3154.9171.600000112K10 T11 F12G8-K10 VanDerWaalsContact C-N 3.33Å; G8-K10 PolarHBondContact O-N 3.41Å; G8-T11 CarbonylContact O-C 3.53Å; G8-T11 WeakPolarHBondContact O-CA 3.26Å; G8-T11 VanDerWaalsContact O-CB 3.32Å; G8-T11 WeakPolarHBondContact O-CB 3.27Å; G8-T11 PolarHBondContact O-N 3.04Å; G8-F12 PolarHBondContact O-N 3Å
9E92Very high82.5Confident71 Ų7180.4 Ų80.433%0.33240%0.403SS..Hα-helixtrans-52.5-45.1-176.3-169.2-169.4148.900113.4T11 F12 Q13 Y102E9-T11 VanDerWaalsContact C-N 3.29Å; E9-T11 PolarHBondContact O-N 2.95Å; E9-F12 WeakPolarHBondContact O-CB 3.49Å; E9-F12 PolarHBondContact O-N 3.33Å; E9-Q13 WeakPolarHBondContact O-CG 3.5Å; E9-Q13 PolarHBondContact O-N 2.93Å; E9-Q13 PolarHBondContact OE1-NE2 2.96Å; E9-Q13 VanDerWaalsContact OE1-NE2 3.12Å; E9-Y102 HydrophobicContact CB-CD1 3.8Å; E9-Y102 HydrophobicContact CB-CE1 3.54Å; E9-Y102 HydrophobicContact CB-CG 4.48Å; E9-Y102 HydrophobicContact CG-CD1 3.68Å; E9-Y102 HydrophobicContact CG-CE1 3.97Å; E9-Y102 HydrophobicContact CG-CG 4.27Å; E9-Y102 PolarHBondContact N-OH 3.31Å
10K92.3Very high83.2Confident175 Ų17577.2 Ų77.276%0.76139%0.387SS*.Hα-helixtrans-62.3-36.4177.2-66.2-176.1178.7-179.60112.4G8 H14G8-K10 VanDerWaalsContact C-N 3.33Å; G8-K10 PolarHBondContact O-N 3.41Å; K10-H14 WeakPolarHBondContact O-CB 3.45Å; K10-H14 PolarHBondContact O-N 3.29Å
11T92.9Very high83.8Confident63 Ų6379.7 Ų79.739%0.38740%0.395SS..Hα-helixtrans-71.8-39.3176.9-47.30000110.8G8 E9 H14 Y15G8-T11 CarbonylContact O-C 3.53Å; G8-T11 WeakPolarHBondContact O-CA 3.26Å; G8-T11 VanDerWaalsContact O-CB 3.32Å; G8-T11 WeakPolarHBondContact O-CB 3.27Å; G8-T11 PolarHBondContact O-N 3.04Å; E9-T11 VanDerWaalsContact C-N 3.29Å; E9-T11 PolarHBondContact O-N 2.95Å; T11-H14 PolarHBondContact O-N 3.16Å; T11-Y15 HydrophobicContact CG2-CD2 4.06Å; T11-Y15 HydrophobicContact CG2-CE2 3.6Å; T11-Y15 WeakPolarHBondContact O-CD2 3.28Å; T11-Y15 PolarHBondContact O-N 3.31Å
12F94.8Very high86.6Confident2 Ų270.4 Ų70.41%0.00935%0.349CS..Hα-helixtrans-57.7-51.8169.7163.7-91.2000111.4I7 G8 E9 H14 Y15 C16 W32 V100 Y102 P109 I189I7-F12 HydrophobicContact CD1-CB 3.87Å; I7-F12 HydrophobicContact CD1-CD2 4.24Å; I7-F12 HydrophobicContact CG1-CB 4.41Å; G8-F12 PolarHBondContact O-N 3Å; E9-F12 WeakPolarHBondContact O-CB 3.49Å; E9-F12 PolarHBondContact O-N 3.33Å; F12-H14 VanDerWaalsContact C-N 3.32Å; F12-H14 PolarHBondContact O-N 3.23Å; F12-Y15 PolarHBondContact O-N 3.28Å; F12-C16 PolarHBondContact O-N 3.02Å; F12-W32 HydrophobicContact CE1-CH2 4Å; F12-W32 HydrophobicContact CE1-CZ3 4.14Å; F12-V100 HydrophobicContact CE2-CG1 3.91Å; F12-V100 HydrophobicContact CZ-CG1 4.17Å; F12-Y102 HydrophobicContact CB-CD2 3.81Å; F12-Y102 HydrophobicContact CB-CE2 4.26Å; F12-Y102 HydrophobicContact CD1-CD2 4.21Å; F12-Y102 HydrophobicContact CD1-CG 4.2Å; F12-Y102 HydrophobicContact CD2-CD2 4.11Å; F12-Y102 AromaticContact CG-CD2 3.78Å; F12-Y102 HydrophobicContact CG-CD2 3.78Å; F12-Y102 HydrophobicContact CG-CG 4.24Å; F12-P109 HydrophobicContact CD2-CB 4.13Å; F12-P109 HydrophobicContact CE2-CB 3.83Å; F12-I189 HydrophobicContact CD2-CD1 3.64Å; F12-I189 HydrophobicContact CE2-CD1 3.66Å
13Q94.8Very high88.8Confident62 Ų6261.2 Ų61.229%0.2931%0.306SS..Hα-helixtrans-59.1-41.3178.1-71.9172100111.9E9 C16 A17 W32E9-Q13 WeakPolarHBondContact O-CG 3.5Å; E9-Q13 PolarHBondContact O-N 2.93Å; E9-Q13 PolarHBondContact OE1-NE2 2.96Å; E9-Q13 VanDerWaalsContact OE1-NE2 3.12Å; Q13-C16 PolarHBondContact O-N 3.41Å; Q13-A17 WeakPolarHBondContact O-CB 3.24Å; Q13-A17 PolarHBondContact O-N 3.14Å; Q13-W32 HydrophobicContact CG-CH2 4.13Å; Q13-W32 HydrophobicContact CG-CZ2 4.48Å
14H94.3Very high90.7Very high112 Ų11261.8 Ų61.852%0.51931%0.309SS..Hα-helixtrans-60.5-50174.617975.9000112.2K10 T11 F12 C16 A17 E18K10-H14 WeakPolarHBondContact O-CB 3.45Å; K10-H14 PolarHBondContact O-N 3.29Å; T11-H14 PolarHBondContact O-N 3.16Å; F12-H14 VanDerWaalsContact C-N 3.32Å; F12-H14 PolarHBondContact O-N 3.23Å; H14-C16 VanDerWaalsContact C-N 3.32Å; H14-C16 PolarHBondContact O-N 3.32Å; H14-A17 WeakPolarHBondContact O-CB 3.41Å; H14-A17 PolarHBondContact O-N 3.37Å; H14-A17 VanDerWaalsContact O-N 3.13Å; H14-E18 PolarHBondContact O-N 3.46Å
15Y95.3Very high92.5Very high45 Ų4562.1 Ų62.118%0.17631%0.307CS..Hα-helixtrans-62.7-37176.9-71.9-48.8000112.6I7 T11 F12 F19 N187 Y188I7-Y15 HydrophobicContact CG2-CE2 4.5Å; T11-Y15 HydrophobicContact CG2-CD2 4.06Å; T11-Y15 HydrophobicContact CG2-CE2 3.6Å; T11-Y15 WeakPolarHBondContact O-CD2 3.28Å; T11-Y15 PolarHBondContact O-N 3.31Å; F12-Y15 PolarHBondContact O-N 3.28Å; Y15-F19 VanDerWaalsContact O-CB 3.24Å; Y15-F19 WeakPolarHBondContact O-CB 3.5Å; Y15-F19 PolarHBondContact O-N 3.07Å; Y15-N187 WeakPolarHBondContact CA-ND2 3.49Å; Y15-N187 HydrophobicContact CD1-CB 4.22Å; Y15-N187 WeakPolarHBondContact CD1-ND2 3.36Å; Y15-N187 PolarHBondContact O-ND2 3.37Å; Y15-Y188 VanDerWaalsContact CE2-CB 3.5Å
16C96.2Very high93.7Very high0 Ų062.1 Ų62.10%031%0.308CS..Hα-helixtrans-62.2-42.9171.9-78.60000112F12 Q13 H14 F19 I20 W32 M43F12-C16 PolarHBondContact O-N 3.02Å; Q13-C16 PolarHBondContact O-N 3.41Å; H14-C16 VanDerWaalsContact C-N 3.32Å; H14-C16 PolarHBondContact O-N 3.32Å; C16-F19 PolarHBondContact O-N 3.12Å; C16-I20 WeakPolarHBondContact O-CB 3.32Å; C16-I20 WeakPolarHBondContact O-CD1 3.48Å; C16-I20 VanDerWaalsContact O-CG1 3.24Å; C16-I20 WeakPolarHBondContact O-CG1 3.42Å; C16-I20 PolarHBondContact O-N 3.01Å; C16-W32 HydrophobicContact CB-CE3 4.2Å; C16-W32 HydrophobicContact CB-CZ3 3.94Å; C16-M43 HydrophobicContact CB-SD 4.26Å
17A95.8Very high94.5Very high59 Ų5960.5 Ų60.549%0.48832%0.316SS..Hα-helixtrans-63.5-43.6178.400000112.5Q13 H14 K21Q13-A17 WeakPolarHBondContact O-CB 3.24Å; Q13-A17 PolarHBondContact O-N 3.14Å; H14-A17 WeakPolarHBondContact O-CB 3.41Å; H14-A17 PolarHBondContact O-N 3.37Å; H14-A17 VanDerWaalsContact O-N 3.13Å; A17-K21 WeakPolarHBondContact O-CB 3.43Å; A17-K21 PolarHBondContact O-N 3.22Å
18E95.3Very high94.8Very high58 Ų5861.3 Ų61.327%0.27132%0.32SS..Hα-helixtrans-60.5-44.8172-70.4-166.4122.300112.4H14 K21 H22 N187H14-E18 PolarHBondContact O-N 3.46Å; E18-K21 WeakPolarHBondContact O-CB 3.37Å; E18-K21 PolarHBondContact O-N 3.14Å; E18-H22 PolarHBondContact O-N 3.13Å; E18-N187 PolarHBondContact OE2-ND2 3.31Å
19F96.4Very high95Very high2 Ų263.7 Ų63.71%0.00933%0.332CS..Hα-helixtrans-63.4-44.4-179.2-177.4-81.2000111.5Y15 C16 H22 S23 W30 M43 I189 T190 L193 L204 Y208Y15-F19 VanDerWaalsContact O-CB 3.24Å; Y15-F19 WeakPolarHBondContact O-CB 3.5Å; Y15-F19 PolarHBondContact O-N 3.07Å; C16-F19 PolarHBondContact O-N 3.12Å; F19-H22 PolarHBondContact O-N 2.92Å; F19-S23 PolarHBondContact O-N 3.03Å; F19-W30 HydrophobicContact CD1-CG 4.38Å; F19-W30 HydrophobicContact CE1-CB 4.19Å; F19-W30 AromaticContact CE1-CD1 3.62Å; F19-W30 AromaticContact CE1-CD2 3.68Å; F19-W30 HydrophobicContact CE1-CD2 3.68Å; F19-W30 AromaticContact CE1-CE2 3.67Å; F19-W30 HydrophobicContact CE1-CE3 4.44Å; F19-W30 AromaticContact CE1-CG 3.6Å; F19-W30 HydrophobicContact CE1-CG 3.6Å; F19-W30 HydrophobicContact CE1-CZ2 4.37Å; F19-W30 AromaticContact CE1-NE1 3.61Å; F19-W30 HydrophobicContact CZ-CD2 4.45Å; F19-W30 AromaticContact CZ-CE2 3.98Å; F19-W30 HydrophobicContact CZ-CZ2 4.39Å; F19-W30 AromaticContact CZ-NE1 3.83Å; F19-M43 HydrophobicContact CB-SD 4.44Å; F19-M43 HydrophobicContact CD1-CE 3.78Å; F19-M43 HydrophobicContact CD1-SD 3.43Å; F19-M43 WeakPolarHBondContact CD1-SD 3.42Å; F19-M43 HydrophobicContact CE1-CE 3.85Å; F19-M43 HydrophobicContact CE1-SD 3.98Å; F19-M43 HydrophobicContact CG-CE 4.43Å; F19-M43 HydrophobicContact CG-SD 4.18Å; F19-I189 HydrophobicContact CD2-CG2 4.09Å; F19-I189 HydrophobicContact CG-CG2 4.18Å; F19-T190 WeakPolarHBondContact CD2-OG1 3.21Å; F19-L193 HydrophobicContact CE1-CD1 4.17Å; F19-L193 HydrophobicContact CE2-CD1 3.91Å; F19-L193 HydrophobicContact CZ-CD1 3.58Å; F19-L204 HydrophobicContact CE2-CD1 3.92Å; F19-L204 HydrophobicContact CE2-CD2 4.41Å; F19-L204 HydrophobicContact CZ-CD1 4.21Å; F19-L204 HydrophobicContact CZ-CD2 3.86Å; F19-Y208 AromaticContact CD1-CE1 3.86Å; F19-Y208 HydrophobicContact CD1-CE1 3.86Å; F19-Y208 AromaticContact CD2-CD1 3.6Å; F19-Y208 HydrophobicContact CD2-CD1 3.6Å; F19-Y208 AromaticContact CD2-CE1 3.53Å; F19-Y208 HydrophobicContact CD2-CE1 3.53Å; F19-Y208 AromaticContact CE1-CE1 3.64Å; F19-Y208 HydrophobicContact CE1-CE1 3.64Å; F19-Y208 AromaticContact CE1-CZ 3.82Å; F19-Y208 AromaticContact CE2-CD1 3.36Å; F19-Y208 HydrophobicContact CE2-CD1 3.36Å; F19-Y208 AromaticContact CE2-CE1 3.29Å; F19-Y208 HydrophobicContact CE2-CE1 3.29Å; F19-Y208 HydrophobicContact CE2-CG 4.1Å; F19-Y208 AromaticContact CE2-CZ 3.96Å; F19-Y208 HydrophobicContact CG-CD1 4.29Å; F19-Y208 AromaticContact CG-CE1 3.8Å; F19-Y208 HydrophobicContact CG-CE1 3.8Å; F19-Y208 AromaticContact CZ-CD1 3.88Å; F19-Y208 HydrophobicContact CZ-CD1 3.88Å; F19-Y208 AromaticContact CZ-CE1 3.35Å; F19-Y208 HydrophobicContact CZ-CE1 3.35Å; F19-Y208 HydrophobicContact CZ-CE2 4.27Å; F19-Y208 AromaticContact CZ-CZ 3.56Å; F19-Y208 WeakPolarHBondContact O-CE1 3.48Å
20I96.7Very high95.3Very high15 Ų1560.5 Ų60.58%0.07732%0.317CS..Hα-helixtrans-64.6-42.4175.5-69.7162.5000110.7C16 H22 S23 Q24 W30 W32 M43C16-I20 WeakPolarHBondContact O-CB 3.32Å; C16-I20 WeakPolarHBondContact O-CD1 3.48Å; C16-I20 VanDerWaalsContact O-CG1 3.24Å; C16-I20 WeakPolarHBondContact O-CG1 3.42Å; C16-I20 PolarHBondContact O-N 3.01Å; I20-H22 VanDerWaalsContact C-N 3.27Å; I20-H22 PolarHBondContact O-N 3.27Å; I20-S23 WeakPolarHBondContact O-CA 3.09Å; I20-S23 VanDerWaalsContact O-CB 3.26Å; I20-S23 WeakPolarHBondContact O-CB 3.29Å; I20-S23 PolarHBondContact O-N 3.37Å; I20-Q24 HydrophobicContact CG2-CG 4.48Å; I20-Q24 WeakPolarHBondContact O-CG 3.43Å; I20-Q24 PolarHBondContact O-N 3.37Å; I20-W30 HydrophobicContact CG1-CB 4.46Å; I20-W32 HydrophobicContact CD1-CB 3.78Å; I20-W32 HydrophobicContact CD1-CE3 4.38Å; I20-M43 HydrophobicContact CD1-CB 4.4Å; I20-M43 HydrophobicContact CD1-CG 3.89Å; I20-M43 HydrophobicContact CD1-SD 4.14Å; I20-M43 HydrophobicContact CG1-CG 3.97Å; I20-M43 HydrophobicContact CG1-SD 3.83Å
21K96.1Very high95.5Very high131 Ų13155.7 Ų55.757%0.5730%0.297SS*.Hα-helixtrans-56.8-41.1174.6-179.9-176.8178.2-176.10111.5A17 E18 Q25A17-K21 WeakPolarHBondContact O-CB 3.43Å; A17-K21 PolarHBondContact O-N 3.22Å; E18-K21 WeakPolarHBondContact O-CB 3.37Å; E18-K21 PolarHBondContact O-N 3.14Å; K21-Q25 WeakPolarHBondContact O-CG 3.42Å
22H95.3Very high95.7Very high35 Ų3556.7 Ų56.716%0.16229%0.293CS..Hα-helixtrans-70-40.1173.1-16954.6000112.4E18 F19 I20 Q24 Q25 I26 S207 Y208E18-H22 PolarHBondContact O-N 3.13Å; F19-H22 PolarHBondContact O-N 2.92Å; I20-H22 VanDerWaalsContact C-N 3.27Å; I20-H22 PolarHBondContact O-N 3.27Å; H22-Q24 VanDerWaalsContact C-N 3.29Å; H22-Q24 PolarHBondContact O-N 3Å; H22-Q25 PolarHBondContact ND1-OE1 3.1Å; H22-Q25 WeakPolarHBondContact O-CB 3.5Å; H22-Q25 PolarHBondContact O-N 3.37Å; H22-I26 PolarHBondContact O-N 3.04Å; H22-S207 VanDerWaalsContact NE2-C 3.32Å; H22-S207 VanDerWaalsContact NE2-CB 3.26Å; H22-S207 WeakPolarHBondContact NE2-CB 3.43Å; H22-S207 PolarHBondContact NE2-O 2.86Å; H22-S207 PolarHBondContact NE2-OG 3.4Å; H22-Y208 HydrophobicContact CB-CD1 4.43Å; H22-Y208 HydrophobicContact CB-CE1 4.24Å; H22-Y208 AromaticContact CD2-CD1 3.63Å; H22-Y208 AromaticContact CD2-CE1 3.87Å; H22-Y208 AromaticContact CD2-CG 3.84Å
23S96.6Very high95.8Very high1 Ų162.2 Ų62.21%0.00731%0.314CS..Hα-helixtrans-54-44.9176.7-162.90000112.7F19 I20 Q25 I26 G27 D28 S29 W30 Y208F19-S23 PolarHBondContact O-N 3.03Å; I20-S23 WeakPolarHBondContact O-CA 3.09Å; I20-S23 VanDerWaalsContact O-CB 3.26Å; I20-S23 WeakPolarHBondContact O-CB 3.29Å; I20-S23 PolarHBondContact O-N 3.37Å; S23-Q25 VanDerWaalsContact C-N 3.31Å; S23-Q25 PolarHBondContact O-N 2.94Å; S23-I26 WeakPolarHBondContact O-CG1 3.26Å; S23-I26 PolarHBondContact O-N 3.39Å; S23-G27 PolarHBondContact O-N 3.49Å; S23-D28 PolarHBondContact O-N 3.09Å; S23-D28 VanDerWaalsContact OG-C 3.25Å; S23-D28 WeakPolarHBondContact OG-CB 3.49Å; S23-S29 PolarHBondContact OG-N 3.04Å; S23-W30 WeakPolarHBondContact OG-CB 3.47Å; S23-W30 PolarHBondContact OG-N 3.42Å; S23-Y208 VanDerWaalsContact CA-OH 3.29Å; S23-Y208 WeakPolarHBondContact CA-OH 3.28Å; S23-Y208 WeakPolarHBondContact CB-OH 3.47Å; S23-Y208 PolarHBondContact OG-OH 2.97Å; S23-Y208 VanDerWaalsContact OG-OH 3.09Å
24Q95.8Very high95.6Very high140 Ų14063.8 Ų63.865%0.65433%0.33SS*.Hα-helixtrans-61.8-36.5177.3-69.6170.1-4.900112.4I20 H22 I26I20-Q24 HydrophobicContact CG2-CG 4.48Å; I20-Q24 WeakPolarHBondContact O-CG 3.43Å; I20-Q24 PolarHBondContact O-N 3.37Å; H22-Q24 VanDerWaalsContact C-N 3.29Å; H22-Q24 PolarHBondContact O-N 3Å; Q24-I26 VanDerWaalsContact C-N 3.28Å; Q24-I26 PolarHBondContact O-N 2.99Å
25Q95.4Very high95.2Very high134 Ų13459.5 Ų59.563%0.62631%0.312SS*.Hα-helixtrans-67.5-26.7177.7-66.1167.3-1200113.3K21 H22 S23K21-Q25 WeakPolarHBondContact O-CG 3.42Å; H22-Q25 PolarHBondContact ND1-OE1 3.1Å; H22-Q25 WeakPolarHBondContact O-CB 3.5Å; H22-Q25 PolarHBondContact O-N 3.37Å; S23-Q25 VanDerWaalsContact C-N 3.31Å; S23-Q25 PolarHBondContact O-N 2.94Å
26I94.9Very high94.2Very high68 Ų6866.8 Ų66.835%0.34935%0.345SS..Hα-helixtrans-111.20.2-17667.4172.2000113.6H22 S23 Q24 D28 P205 S207 Y208H22-I26 PolarHBondContact O-N 3.04Å; S23-I26 WeakPolarHBondContact O-CG1 3.26Å; S23-I26 PolarHBondContact O-N 3.39Å; Q24-I26 VanDerWaalsContact C-N 3.28Å; Q24-I26 PolarHBondContact O-N 2.99Å; I26-D28 VanDerWaalsContact C-N 3.33Å; I26-D28 HydrophobicContact CD1-CB 3.75Å; I26-D28 HydrophobicContact CG1-CB 3.73Å; I26-D28 PolarHBondContact O-N 3.37Å; I26-P205 HydrophobicContact CD1-CB 4.08Å; I26-P205 HydrophobicContact CD1-CG 4.04Å; I26-S207 WeakPolarHBondContact CD1-OG 3.24Å; I26-Y208 HydrophobicContact CD1-CD2 4.08Å; I26-Y208 HydrophobicContact CD1-CE2 3.54Å
27G94.9Very high92.8Very high53 Ų5374.1 Ų74.155%0.54638%0.384SS..THydrogen-bonded Turntrans73.815.1-177.900000115.2S23 S29S23-G27 PolarHBondContact O-N 3.49Å; G27-S29 PolarHBondContact O-N 2.93Å; G27-S29 PolarHBondContact O-OG 3Å; G27-S29 VanDerWaalsContact O-OG 3.1Å
28D94.4Very high91.1Very high29 Ų2975 Ų7516%0.15539%0.386CS..  trans-77.18.1-172.2-165.651.6000113.8S23 I26 W30 K45 Y208S23-D28 PolarHBondContact O-N 3.09Å; S23-D28 VanDerWaalsContact OG-C 3.25Å; S23-D28 WeakPolarHBondContact OG-CB 3.49Å; I26-D28 VanDerWaalsContact C-N 3.33Å; I26-D28 HydrophobicContact CD1-CB 3.75Å; I26-D28 HydrophobicContact CG1-CB 3.73Å; I26-D28 PolarHBondContact O-N 3.37Å; D28-W30 PolarHBondContact O-N 2.89Å; D28-W30 PolarHBondContact OD2-NE1 2.99Å; D28-K45 PolarHBondContact O-NZ 3.09Å; D28-K45 IonicContact OD1-NZ 2.67Å; D28-K45 PolarHBondContact OD1-NZ 2.89Å; D28-K45 IonicContact OD2-NZ 2.78Å; D28-K45 PolarHBondContact OD2-NZ 3.37Å; D28-Y208 HydrophobicContact CB-CE2 4.4Å; D28-Y208 PolarHBondContact OD2-OH 3.47Å
29S95.7Very high89.5Confident83 Ų8377.5 Ų77.558%0.5841%0.41SS*.  trans57.127.3164.6-51.20000115.9S23 G27S23-S29 PolarHBondContact OG-N 3.04Å; G27-S29 PolarHBondContact O-N 2.93Å; G27-S29 PolarHBondContact O-OG 3Å; G27-S29 VanDerWaalsContact O-OG 3.1Å
30W97.9Very high88.6Confident4 Ų480 Ų802%0.01542%0.424CS..EExtended strand (participates in β ladder)trans-83.9138165.1-6889.4000110.6F19 I20 S23 D28 M43 C44 K45 V100 L193 L202 L204 Y208F19-W30 HydrophobicContact CD1-CG 4.38Å; F19-W30 HydrophobicContact CE1-CB 4.19Å; F19-W30 AromaticContact CE1-CD1 3.62Å; F19-W30 AromaticContact CE1-CD2 3.68Å; F19-W30 HydrophobicContact CE1-CD2 3.68Å; F19-W30 AromaticContact CE1-CE2 3.67Å; F19-W30 HydrophobicContact CE1-CE3 4.44Å; F19-W30 AromaticContact CE1-CG 3.6Å; F19-W30 HydrophobicContact CE1-CG 3.6Å; F19-W30 HydrophobicContact CE1-CZ2 4.37Å; F19-W30 AromaticContact CE1-NE1 3.61Å; F19-W30 HydrophobicContact CZ-CD2 4.45Å; F19-W30 AromaticContact CZ-CE2 3.98Å; F19-W30 HydrophobicContact CZ-CZ2 4.39Å; F19-W30 AromaticContact CZ-NE1 3.83Å; I20-W30 HydrophobicContact CG1-CB 4.46Å; S23-W30 WeakPolarHBondContact OG-CB 3.47Å; S23-W30 PolarHBondContact OG-N 3.42Å; D28-W30 PolarHBondContact O-N 2.89Å; D28-W30 PolarHBondContact OD2-NE1 2.99Å; W30-M43 HydrophobicContact CD2-CE 4.34Å; W30-M43 HydrophobicContact CE3-CE 3.76Å; W30-M43 HydrophobicContact CE3-CG 3.71Å; W30-M43 HydrophobicContact CE3-SD 4.17Å; W30-M43 HydrophobicContact CH2-CE 4.31Å; W30-M43 HydrophobicContact CZ3-CE 3.77Å; W30-M43 HydrophobicContact CZ3-CG 4.28Å; W30-C44 WeakPolarHBondContact CA-O 3.42Å; W30-K45 HydrophobicContact CD2-CB 3.58Å; W30-K45 HydrophobicContact CD2-CD 4.28Å; W30-K45 HydrophobicContact CD2-CG 4.22Å; W30-K45 HydrophobicContact CE3-CB 3.55Å; W30-K45 HydrophobicContact CG-CB 4.16Å; W30-K45 HydrophobicContact CG-CG 4.47Å; W30-K45 HydrophobicContact CH2-CB 4.09Å; W30-K45 HydrophobicContact CZ2-CB 4.11Å; W30-K45 HydrophobicContact CZ2-CD 3.89Å; W30-K45 HydrophobicContact CZ3-CB 3.8Å; W30-V100 HydrophobicContact CH2-CG2 4.29Å; W30-V100 HydrophobicContact CZ3-CG2 4.09Å; W30-L193 HydrophobicContact CH2-CD1 3.86Å; W30-L193 HydrophobicContact CH2-CD2 4.34Å; W30-L193 HydrophobicContact CZ2-CD1 3.8Å; W30-L202 HydrophobicContact CH2-CD2 3.86Å; W30-L202 HydrophobicContact CZ2-CD1 3.96Å; W30-L202 HydrophobicContact CZ2-CD2 3.81Å; W30-L202 HydrophobicContact CZ2-CG 4.45Å; W30-L204 HydrophobicContact CZ2-CD2 4.36Å; W30-Y208 VanDerWaalsContact CD1-OH 3.3Å
31E97.3Very high88.4Confident74 Ų7479.3 Ų79.335%0.34642%0.42SS..EExtended strand (participates in β ladder)trans-141.5163.8-178.464-176.6177.100111.2R33 M43 C44E31-R33 IonicContact OE1-CZ 3.14Å; E31-R33 IonicContact OE1-NE 2.82Å; E31-R33 PolarHBondContact OE1-NE 3.01Å; E31-R33 IonicContact OE1-NH2 2.67Å; E31-R33 PolarHBondContact OE1-NH2 3.11Å; E31-R33 IonicContact OE2-CZ 3.88Å; E31-R33 IonicContact OE2-NE 3.86Å; E31-R33 IonicContact OE2-NH2 3.39Å; E31-R33 PolarHBondContact OE2-NH2 3.42Å; E31-M43 CarbonylContact O-C 3.56Å; E31-M43 WeakPolarHBondContact O-CA 3.48Å; E31-C44 WeakPolarHBondContact CG-SG 3.43Å; E31-C44 PolarHBondContact N-O 3.09Å; E31-C44 PolarHBondContact O-N 2.98Å; E31-C44 PolarHBondContact OE1-SG 2.9Å; E31-C44 VanDerWaalsContact OE1-SG 3.41Å
32W96.9Very high88.4Confident83 Ų8374.1 Ų74.131%0.31440%0.397SS..EExtended strand (participates in β ladder)trans-98128.9171.6-174.1-97.5000109.9F12 Q13 C16 I20 G41 M43F12-W32 HydrophobicContact CE1-CH2 4Å; F12-W32 HydrophobicContact CE1-CZ3 4.14Å; Q13-W32 HydrophobicContact CG-CH2 4.13Å; Q13-W32 HydrophobicContact CG-CZ2 4.48Å; C16-W32 HydrophobicContact CB-CE3 4.2Å; C16-W32 HydrophobicContact CB-CZ3 3.94Å; I20-W32 HydrophobicContact CD1-CB 3.78Å; I20-W32 HydrophobicContact CD1-CE3 4.38Å; W32-G41 VanDerWaalsContact CZ2-C 3.45Å; W32-M43 HydrophobicContact CE3-CB 4.11Å; W32-M43 HydrophobicContact CZ3-CB 4.34Å
33R95.4Very high88.5Confident118 Ų11872.5 Ų72.545%0.44539%0.389SS..EExtended strand (participates in β ladder)trans-108.2112.1173.6-69-69.7-178.6167.6-5.7108.9E31 G41 Y42 C44E31-R33 IonicContact OE1-CZ 3.14Å; E31-R33 IonicContact OE1-NE 2.82Å; E31-R33 PolarHBondContact OE1-NE 3.01Å; E31-R33 IonicContact OE1-NH2 2.67Å; E31-R33 PolarHBondContact OE1-NH2 3.11Å; E31-R33 IonicContact OE2-CZ 3.88Å; E31-R33 IonicContact OE2-NE 3.86Å; E31-R33 IonicContact OE2-NH2 3.39Å; E31-R33 PolarHBondContact OE2-NH2 3.42Å; R33-G41 CarbonylContact O-C 3.6Å; R33-G41 WeakPolarHBondContact O-CA 3.49Å; R33-Y42 HydrophobicContact CB-CD1 4.13Å; R33-Y42 HydrophobicContact CB-CD2 4.23Å; R33-Y42 HydrophobicContact CB-CE1 3.75Å; R33-Y42 HydrophobicContact CB-CE2 3.85Å; R33-Y42 HydrophobicContact CB-CG 4.37Å; R33-Y42 HydrophobicContact CG-CE2 4.07Å; R33-Y42 PolarHBondContact N-O 3.3Å; R33-Y42 PolarHBondContact O-N 3.01Å; R33-C44 WeakPolarHBondContact CG-SG 3.49Å
34P91.3Very high88.6Confident95 Ų9572.7 Ų72.762%0.61739%0.391SS*.EExtended strand (participates in β ladder)trans-68.7146.317329.9-33.9000110.3
35S85.7Confident88.6Confident22 Ų2266.4 Ų66.415%0.15436%0.361CS..  trans-65.9153.5164-1730000110D37 D40S35-D37 VanDerWaalsContact C-N 3.32Å; S35-D40 VanDerWaalsContact CB-O 3.27Å; S35-D40 WeakPolarHBondContact CB-O 3.45Å; S35-D40 PolarHBondContact N-O 3.49Å
36K74.9Confident88.7Confident199 Ų19963.8 Ų63.887%0.86535%0.351SS*.SBendtrans-74.7-26.4177.4-68.4-179.7-179.6175.50112.6
37D65.7Low88.7Confident153 Ų15364 Ų6482%0.81835%0.35SS*.SBendtrans-121.15-162.2-51.9-61.9000113.5S35S35-D37 VanDerWaalsContact C-N 3.32Å
38C60.3Low88.6Confident79 Ų7967.1 Ų67.153%0.53435%0.349SS..SBendtrans-153.4166.7-177.1-168.10000111.7D40C38-D40 HydrophobicContact CB-CB 3.96Å; C38-D40 PolarHBondContact O-N 2.86Å
39S62.1Low88.5Confident110 Ų11068.5 Ų68.577%0.76936%0.355SS*.SBendtrans-69.8-1.5164.2560000113.9
40D78.1Confident88.2Confident55 Ų5570.3 Ų70.329%0.29436%0.356SS..  trans-76165.7176.2-167.315.1000112S35 C38S35-D40 VanDerWaalsContact CB-O 3.27Å; S35-D40 WeakPolarHBondContact CB-O 3.45Å; S35-D40 PolarHBondContact N-O 3.49Å; C38-D40 HydrophobicContact CB-CB 3.96Å; C38-D40 PolarHBondContact O-N 2.86Å
41G91.9Very high87.4Confident0 Ų074.1 Ų74.10%037%0.373CS..EExtended strand (participates in β ladder)trans-178.2-177.3179.900000112.1W32 R33W32-G41 VanDerWaalsContact CZ2-C 3.45Å; R33-G41 CarbonylContact O-C 3.6Å; R33-G41 WeakPolarHBondContact O-CA 3.49Å
42Y95.9Very high86Confident22 Ų2275.8 Ų75.89%0.08639%0.393CS..EExtended strand (participates in β ladder)trans-141.3148.2-178.861.7-83.8000111.4R33 C44 H99 V100 L101 I155R33-Y42 HydrophobicContact CB-CD1 4.13Å; R33-Y42 HydrophobicContact CB-CD2 4.23Å; R33-Y42 HydrophobicContact CB-CE1 3.75Å; R33-Y42 HydrophobicContact CB-CE2 3.85Å; R33-Y42 HydrophobicContact CB-CG 4.37Å; R33-Y42 HydrophobicContact CG-CE2 4.07Å; R33-Y42 PolarHBondContact N-O 3.3Å; R33-Y42 PolarHBondContact O-N 3.01Å; Y42-C44 HydrophobicContact CD2-CB 3.91Å; Y42-C44 HydrophobicContact CE2-CB 3.78Å; Y42-H99 HydrophobicContact CD2-CB 3.69Å; Y42-H99 AromaticContact CD2-CD2 3.94Å; Y42-H99 AromaticContact CD2-CG 3.58Å; Y42-H99 AromaticContact CD2-ND1 3.91Å; Y42-H99 HydrophobicContact CE2-CB 4.15Å; Y42-H99 AromaticContact CE2-CD2 3.6Å; Y42-H99 AromaticContact CE2-CE1 3.6Å; Y42-H99 AromaticContact CE2-CG 3.5Å; Y42-H99 VanDerWaalsContact CE2-CG 3.5Å; Y42-H99 AromaticContact CE2-ND1 3.49Å; Y42-H99 WeakPolarHBondContact CE2-ND1 3.48Å; Y42-H99 AromaticContact CE2-NE2 3.66Å; Y42-V100 WeakPolarHBondContact CA-O 3.48Å; Y42-L101 HydrophobicContact CG-CD1 4.23Å; Y42-I155 HydrophobicContact CD1-CD1 3.78Å; Y42-I155 HydrophobicContact CE1-CD1 4.48Å; Y42-I155 HydrophobicContact CE1-CG2 4.21Å
43M97.4Very high84.2Confident0 Ų075 Ų750%041%0.41CS..EExtended strand (participates in β ladder)trans-85.8128.8171.2178.1178.781.200108.7C16 F19 I20 W30 E31 W32 H99 V100 I189 L193C16-M43 HydrophobicContact CB-SD 4.26Å; F19-M43 HydrophobicContact CB-SD 4.44Å; F19-M43 HydrophobicContact CD1-CE 3.78Å; F19-M43 HydrophobicContact CD1-SD 3.43Å; F19-M43 WeakPolarHBondContact CD1-SD 3.42Å; F19-M43 HydrophobicContact CE1-CE 3.85Å; F19-M43 HydrophobicContact CE1-SD 3.98Å; F19-M43 HydrophobicContact CG-CE 4.43Å; F19-M43 HydrophobicContact CG-SD 4.18Å; I20-M43 HydrophobicContact CD1-CB 4.4Å; I20-M43 HydrophobicContact CD1-CG 3.89Å; I20-M43 HydrophobicContact CD1-SD 4.14Å; I20-M43 HydrophobicContact CG1-CG 3.97Å; I20-M43 HydrophobicContact CG1-SD 3.83Å; W30-M43 HydrophobicContact CD2-CE 4.34Å; W30-M43 HydrophobicContact CE3-CE 3.76Å; W30-M43 HydrophobicContact CE3-CG 3.71Å; W30-M43 HydrophobicContact CE3-SD 4.17Å; W30-M43 HydrophobicContact CH2-CE 4.31Å; W30-M43 HydrophobicContact CZ3-CE 3.77Å; W30-M43 HydrophobicContact CZ3-CG 4.28Å; E31-M43 CarbonylContact O-C 3.56Å; E31-M43 WeakPolarHBondContact O-CA 3.48Å; W32-M43 HydrophobicContact CE3-CB 4.11Å; W32-M43 HydrophobicContact CZ3-CB 4.34Å; M43-H99 CarbonylContact O-C 3.53Å; M43-H99 WeakPolarHBondContact O-CA 3.5Å; M43-V100 HydrophobicContact CB-CB 4.34Å; M43-V100 HydrophobicContact CE-CB 4.12Å; M43-V100 HydrophobicContact CE-CG2 3.91Å; M43-V100 PolarHBondContact N-O 3.35Å; M43-V100 PolarHBondContact O-N 3.07Å; M43-I189 HydrophobicContact CE-CG2 3.56Å; M43-I189 HydrophobicContact SD-CG2 4.46Å; M43-L193 HydrophobicContact CE-CD1 3.84Å
44C97.8Very high81.9Confident6 Ų674.7 Ų74.74%0.04143%0.426CS..EExtended strand (participates in β ladder)trans-129.6157-178.466.90000114.8W30 E31 R33 Y42 Y98 H99W30-C44 WeakPolarHBondContact CA-O 3.42Å; E31-C44 WeakPolarHBondContact CG-SG 3.43Å; E31-C44 PolarHBondContact N-O 3.09Å; E31-C44 PolarHBondContact O-N 2.98Å; E31-C44 PolarHBondContact OE1-SG 2.9Å; E31-C44 VanDerWaalsContact OE1-SG 3.41Å; R33-C44 WeakPolarHBondContact CG-SG 3.49Å; Y42-C44 HydrophobicContact CD2-CB 3.91Å; Y42-C44 HydrophobicContact CE2-CB 3.78Å; C44-Y98 CarbonylContact C-O 3.53Å; C44-Y98 WeakPolarHBondContact CA-O 3.32Å; C44-H99 WeakPolarHBondContact CB-CD2 3.38Å
45K97.8Very high79.4Confident8 Ų876 Ų764%0.03543%0.432CS..EExtended strand (participates in β ladder)trans-140.6137.9172-176.7-162.4-170.973.30110D28 W30 H47 Y98 L202D28-K45 PolarHBondContact O-NZ 3.09Å; D28-K45 IonicContact OD1-NZ 2.67Å; D28-K45 PolarHBondContact OD1-NZ 2.89Å; D28-K45 IonicContact OD2-NZ 2.78Å; D28-K45 PolarHBondContact OD2-NZ 3.37Å; W30-K45 HydrophobicContact CD2-CB 3.58Å; W30-K45 HydrophobicContact CD2-CD 4.28Å; W30-K45 HydrophobicContact CD2-CG 4.22Å; W30-K45 HydrophobicContact CE3-CB 3.55Å; W30-K45 HydrophobicContact CG-CB 4.16Å; W30-K45 HydrophobicContact CG-CG 4.47Å; W30-K45 HydrophobicContact CH2-CB 4.09Å; W30-K45 HydrophobicContact CZ2-CB 4.11Å; W30-K45 HydrophobicContact CZ2-CD 3.89Å; W30-K45 HydrophobicContact CZ3-CB 3.8Å; K45-H47 HydrophobicContact CD-CB 4.39Å; K45-Y98 HydrophobicContact CD-CD2 4.23Å; K45-Y98 PolarHBondContact N-O 2.92Å; K45-Y98 PolarHBondContact O-N 3.47Å; K45-L202 HydrophobicContact CD-CD1 3.85Å
46I97Very high77.1Confident79 Ų7981.8 Ų81.841%0.40546%0.458SS..EExtended strand (participates in β ladder)trans-105134.1161.1-62.6174000107.9F48 K95 Y96 E97I46-F48 HydrophobicContact CG2-CD2 4.48Å; I46-F48 HydrophobicContact CG2-CE2 3.8Å; I46-F48 HydrophobicContact CG2-CZ 3.94Å; I46-K95 HydrophobicContact CG2-CD 4.35Å; I46-K95 HydrophobicContact CG2-CG 3.88Å; I46-Y96 WeakPolarHBondContact CA-O 3.46Å; I46-E97 HydrophobicContact CG1-CG 4.42Å
47H94.4Very high75.1Confident72 Ų7277 Ų7733%0.33345%0.45SS..EExtended strand (participates in β ladder)trans-133.6142.1179.2175.663.1000110.2K45 Y96 Y98K45-H47 HydrophobicContact CD-CB 4.39Å; H47-Y96 PolarHBondContact N-O 3.41Å; H47-Y96 PolarHBondContact O-N 2.67Å; H47-Y98 HydrophobicContact CB-CE2 4.3Å
48F93.6Very high73.7Confident118 Ų11877 Ų7752%0.51845%0.445SS..EExtended strand (participates in β ladder)trans-114.5128176.8-63.4-86.1000110I46 V93 I94 K95 L118I46-F48 HydrophobicContact CG2-CD2 4.48Å; I46-F48 HydrophobicContact CG2-CE2 3.8Å; I46-F48 HydrophobicContact CG2-CZ 3.94Å; F48-V93 HydrophobicContact CB-CG1 4.31Å; F48-V93 HydrophobicContact CD1-CG1 4.21Å; F48-I94 WeakPolarHBondContact CA-O 3.49Å; F48-K95 HydrophobicContact CD1-CB 3.96Å; F48-K95 HydrophobicContact CD1-CG 4.25Å; F48-K95 HydrophobicContact CE1-CB 3.71Å; F48-K95 HydrophobicContact CE1-CD 4.36Å; F48-K95 HydrophobicContact CE1-CG 3.69Å; F48-K95 HydrophobicContact CZ-CG 4.11Å; F48-L118 HydrophobicContact CD1-CD2 3.99Å; F48-L118 HydrophobicContact CE1-CD2 3.71Å
49Q91Very high72.8Confident59 Ų5979.1 Ų79.128%0.27646%0.458SS..EExtended strand (participates in β ladder)trans-124135.3178.6-173.8-177.7-3.200109.8I94 Y96Q49-I94 PolarHBondContact N-O 3.03Å; Q49-I94 PolarHBondContact O-N 3.5Å; Q49-Y96 HydrophobicContact CB-CD2 4.33Å; Q49-Y96 HydrophobicContact CB-CE2 3.96Å; Q49-Y96 VanDerWaalsContact OE1-CE2 3.24Å; Q49-Y96 PolarHBondContact OE1-OH 3.14Å
50I88.9Confident71.5Confident121 Ų12177.2 Ų77.262%0.62146%0.456SS*.EExtended strand (participates in β ladder)trans-82.2122.2170.8-56.2176.8000108.1S52 K92 V93I50-S52 PolarHBondContact O-N 3.35Å; I50-S52 VanDerWaalsContact O-N 3.09Å; I50-K92 CarbonylContact C-O 3.56Å; I50-K92 WeakPolarHBondContact CA-O 3.31Å; I50-V93 HydrophobicContact CG1-CG2 4.41Å
51K81.1Confident69.5Low84 Ų8479.6 Ų79.637%0.36548%0.483SS..  trans-73.397169.1-169.6172.2-172.3167.90107.5G53 K92 I94K51-G53 PolarHBondContact O-N 3.39Å; K51-K92 PolarHBondContact N-O 3.26Å; K51-I94 HydrophobicContact CB-CD1 4Å; K51-I94 HydrophobicContact CD-CD1 4.3Å; K51-I94 HydrophobicContact CG-CD1 4.44Å
52S69.3Low67Low108 Ų10885.1 Ų85.176%0.75552%0.521SS*.  trans-53.2115.5169-66.10000108.5I50 S54I50-S52 PolarHBondContact O-N 3.35Å; I50-S52 VanDerWaalsContact O-N 3.09Å; S52-S54 PolarHBondContact O-N 2.86Å; S52-S54 VanDerWaalsContact O-N 3.1Å
53G59.4Low64.2Low66 Ų6690.4 Ų90.468%0.6856%0.556SS**  trans-60.6117.8176.400000108.9K51 V55K51-G53 PolarHBondContact O-N 3.39Å; G53-V55 VanDerWaalsContact C-N 3.34Å; G53-V55 PolarHBondContact O-N 2.67Å
54S46.8Very low61.4Low112 Ų11298.8 Ų98.878%0.78360%0.595SS**  trans-59.8107.6157.2-176.40000105.7S52 M56S52-S54 PolarHBondContact O-N 2.86Å; S52-S54 VanDerWaalsContact O-N 3.1Å; S54-M56 PolarHBondContact O-N 3.41Å
55V38.5Very low58.5Low123 Ų123101.6 Ų101.675%0.74563%0.625SS**  trans-67.295.8173.1178.70000105.5G53 S57G53-V55 VanDerWaalsContact C-N 3.34Å; G53-V55 PolarHBondContact O-N 2.67Å; V55-S57 PolarHBondContact O-N 2.82Å
56M36.5Very low55.9Low143 Ų143110 Ų11070%0.70467%0.665SS**  trans-67.390.3167.2-123.917474.800106.1S54 H58S54-M56 PolarHBondContact O-N 3.41Å; M56-H58 PolarHBondContact O-CD2 3.12Å; M56-H58 PolarHBondContact O-N 2.82Å
57S33.1Very low52.9Low98 Ų98112.6 Ų112.669%0.68568%0.684SS**  trans-59.891.4169.3-57.60000107.4V55 P59V55-S57 PolarHBondContact O-N 2.82Å; S57-P59 VanDerWaalsContact O-CD 3.22Å; S57-P59 WeakPolarHBondContact O-CD 3.27Å; S57-P59 VanDerWaalsContact O-N 3.13Å
58H37.3Very low50.1Low153 Ų153114.4 Ų114.471%0.70870%0.704SS**PPolyproline II helixtrans-54.8118.7171.9-74.6-82.6000107.7M56 G60M56-H58 PolarHBondContact O-CD2 3.12Å; M56-H58 PolarHBondContact O-N 2.82Å; H58-G60 PolarHBondContact O-N 2.93Å
59P40.3Very low47.8Very low124 Ų124114.4 Ų114.481%0.80572%0.715SS**PPolyproline II helixtrans-58.7124.9170-20.633.7000107.4S57 A61S57-P59 VanDerWaalsContact O-CD 3.22Å; S57-P59 WeakPolarHBondContact O-CD 3.27Å; S57-P59 VanDerWaalsContact O-N 3.13Å; P59-A61 PolarHBondContact O-N 2.86Å
60G34.4Very low45.9Very low71 Ų71117.1 Ų117.173%0.73274%0.738SS**PPolyproline II helixtrans-54.6137.9-168.500000112.6H58 S62H58-G60 PolarHBondContact O-N 2.93Å; G60-S62 PolarHBondContact O-N 3.01Å; G60-S62 VanDerWaalsContact O-N 3.11Å
61A36.5Very low43.4Very low105 Ų105119.1 Ų119.187%0.86875%0.747SS**PPolyproline II helixtrans-58.2117.2174.100000109.7P59P59-A61 PolarHBondContact O-N 2.86Å
62S39.3Very low41.7Very low115 Ų115124.5 Ų124.580%0.80477%0.774SS**PPolyproline II helixtrans-65.4136.8176.5-176.90000110.6G60G60-S62 PolarHBondContact O-N 3.01Å; G60-S62 VanDerWaalsContact O-N 3.11Å
63T37.1Very low40.3Very low134 Ų134127.3 Ų127.382%0.82278%0.775SS**PPolyproline II helixtrans-61.1129.1-178.848.30000113.3
64H38.8Very low39.8Very low176 Ų176128.2 Ų128.282%0.81578%0.776SS**  trans-140.9126.6150.9-15670.4000109.1
65G37.3Very low39.5Very low65 Ų65132.3 Ų132.367%0.6778%0.78SS**  trans-118.8139.5-174.900000112.3
66Q43.6Very low39.9Very low184 Ų184135.1 Ų135.186%0.8679%0.785SS**  trans-159.2112.4163.9-110.5168.41300112.5
67T34.3Very low40.5Very low133 Ų133135.8 Ų135.882%0.81679%0.791SS**  trans-24.2146.2148.1-54.90000115.5
68C35.1Very low41Very low111 Ų111137.1 Ų137.175%0.7580%0.797SS**  cis172.6-169.6-10-101.90000107.4
69P44.3Very low41.9Very low117 Ų117134.1 Ų134.176%0.7679%0.793SS**  cis-125.6-131.6-24.629.8-3.7000111.4
70P51.2Low42.5Very low116 Ų116133.5 Ų133.575%0.75378%0.783SS**  -130.1177.4-115.642.8-23000118.7
71M37.7Very low43.4Very low164 Ų164134.8 Ų134.881%0.80877%0.773SS**  trans81.8102151.7-168.5174.7-176.500120.1
72E43.9Very low44.4Very low197 Ų197134.1 Ų134.192%0.92176%0.761SS**  trans-156.2164.8138.934.9-154.4135.200111
73E41.7Very low45.1Very low166 Ų166135.3 Ų135.378%0.77675%0.754SS**  trans-87.2147.4-139.8-62.5175.314600116.6
74A47.9Very low45.9Very low86 Ų86133.4 Ų133.471%0.71174%0.742SS**  trans-84.4118.8-177.800000112.7
75F40.3Very low46.7Very low198 Ų198130.9 Ų130.987%0.86873%0.733SS**  trans-104.481.6155.7-83.7-89.4000108.9L77F75-L77 PolarHBondContact O-N 3.07Å; F75-L77 VanDerWaalsContact O-N 3.08Å
76E47.6Very low47.7Very low182 Ų182134.9 Ų134.985%0.8573%0.734SS**  trans-72.299.5168.4-69.6-169173.300109.2
77L48.4Very low48.4Very low157 Ų157129.9 Ų129.982%0.82272%0.716SS**  trans-60.3134.2154.7-68.8168.1000107.2F75 S79F75-L77 PolarHBondContact O-N 3.07Å; F75-L77 VanDerWaalsContact O-N 3.08Å; L77-S79 PolarHBondContact O-N 2.9Å
78P45Very low49.8Very low126 Ų126125.9 Ų125.982%0.81870%0.697SS**  trans-61.7112.5177.225-32.6000108.9D80P78-D80 PolarHBondContact O-N 2.86Å
79S54.5Low51.3Low89 Ų89123 Ų12362%0.62268%0.681SS**  trans-65.1121.2175.3-165.40000108.6L77 D81L77-S79 PolarHBondContact O-N 2.9Å; S79-D81 VanDerWaalsContact CB-OD1 3.3Å; S79-D81 WeakPolarHBondContact CB-OD1 3.42Å; S79-D81 PolarHBondContact O-N 2.9Å; S79-D81 PolarHBondContact OG-OD1 3.21Å
80D54.1Low52.4Low111 Ų111118.5 Ų118.559%0.59465%0.654SS**  trans-78.169.3172.5-165.8-3.1000109.7P78 C82P78-D80 PolarHBondContact O-N 2.86Å; D80-C82 PolarHBondContact O-N 3.25Å; D80-C82 WeakPolarHBondContact OD1-CB 3.32Å; D80-C82 PolarHBondContact OD1-N 3.22Å
81D53.8Low53.4Low99 Ų99114.8 Ų114.853%0.52963%0.63SS.*THydrogen-bonded Turntrans-67.2-1.2-179.9-73.2-8.3000112.5S79S79-D81 VanDerWaalsContact CB-OD1 3.3Å; S79-D81 WeakPolarHBondContact CB-OD1 3.42Å; S79-D81 PolarHBondContact O-N 2.9Å; S79-D81 PolarHBondContact OG-OD1 3.21Å
82C56.1Low55.7Low91 Ų91112.7 Ų112.762%0.61562%0.617SS**Hα-helixtrans-73.6-40.2-177.1-152.60000112.2D80 V84D80-C82 PolarHBondContact O-N 3.25Å; D80-C82 WeakPolarHBondContact OD1-CB 3.32Å; D80-C82 PolarHBondContact OD1-N 3.22Å; C82-V84 PolarHBondContact O-N 2.91Å
83E53.7Low58Low140 Ų140105 Ų10565%0.65458%0.584SS**Hα-helixtrans-70.8-28.2-179.4-63-161.1152.500113.4I85 T87E83-I85 VanDerWaalsContact C-N 3.32Å; E83-I85 PolarHBondContact O-N 3.38Å; E83-T87 PolarHBondContact O-N 3.06Å; E83-T87 PolarHBondContact O-OG1 3.01Å
84V55.5Low60.5Low94 Ų9497.5 Ų97.557%0.5755%0.548SS*.Hα-helixtrans-69.9-30.9-175.8-172.10000111.7C82 T87 A88C82-V84 PolarHBondContact O-N 2.91Å; V84-T87 PolarHBondContact O-OG1 3.08Å; V84-T87 VanDerWaalsContact O-OG1 3.09Å; V84-A88 WeakPolarHBondContact O-CB 3.2Å; V84-A88 PolarHBondContact O-N 2.97Å
85I55.5Low62.8Low123 Ų12396.1 Ų96.163%0.63153%0.526SS*.Hα-helixtrans-77.9-40.2-176.3-61.2173.9000111.1E83 A88 A89E83-I85 VanDerWaalsContact C-N 3.32Å; E83-I85 PolarHBondContact O-N 3.38Å; I85-A88 PolarHBondContact O-N 2.68Å; I85-A89 PolarHBondContact O-N 2.67Å
86E56.7Low65.5Low148 Ų14886.7 Ų86.769%0.69249%0.485SS*.Hα-helixtrans-67.4-43.6178.8-66.5-160.8149.100112.2A88 A89 A90E86-A88 VanDerWaalsContact C-N 3.32Å; E86-A88 PolarHBondContact O-N 2.78Å; E86-A89 WeakPolarHBondContact O-CB 3.38Å; E86-A89 PolarHBondContact O-N 2.88Å; E86-A90 PolarHBondContact O-N 2.67Å
87T59.8Low67.9Low79 Ų7978.9 Ų78.949%0.48545%0.448SS..Hα-helixtrans-62.5-37.4177.449.50000112.6E83 V84 A89 S91E83-T87 PolarHBondContact O-N 3.06Å; E83-T87 PolarHBondContact O-OG1 3.01Å; V84-T87 PolarHBondContact O-OG1 3.08Å; V84-T87 VanDerWaalsContact O-OG1 3.09Å; T87-A89 VanDerWaalsContact C-N 3.31Å; T87-A89 PolarHBondContact O-N 3.47Å; T87-S91 WeakPolarHBondContact O-CB 3.33Å; T87-S91 PolarHBondContact O-N 3.41Å; T87-S91 VanDerWaalsContact O-N 3.13Å; T87-S91 PolarHBondContact O-OG 3.49Å
88A63.6Low70.3Confident49 Ų4971.4 Ų71.441%0.40541%0.409SS..Hα-helixtrans-68.1-26.9173.200000113.5V84 I85 E86 K92V84-A88 WeakPolarHBondContact O-CB 3.2Å; V84-A88 PolarHBondContact O-N 2.97Å; I85-A88 PolarHBondContact O-N 2.68Å; E86-A88 VanDerWaalsContact C-N 3.32Å; E86-A88 PolarHBondContact O-N 2.78Å; A88-K92 VanDerWaalsContact O-CE 3.29Å; A88-K92 WeakPolarHBondContact O-CE 3.2Å; A88-K92 WeakPolarHBondContact O-CG 3.36Å
89A66.6Low72.8Confident51 Ų5165.7 Ų65.742%0.42137%0.372SS..Hα-helixtrans-80.2-43.8173.800000112.2I85 E86 T87 S91 K92I85-A89 PolarHBondContact O-N 2.67Å; E86-A89 WeakPolarHBondContact O-CB 3.38Å; E86-A89 PolarHBondContact O-N 2.88Å; T87-A89 VanDerWaalsContact C-N 3.31Å; T87-A89 PolarHBondContact O-N 3.47Å; A89-S91 PolarHBondContact O-N 3.18Å; A89-K92 WeakPolarHBondContact O-CB 3.32Å; A89-K92 PolarHBondContact O-N 3.4Å
90A66.9Low74.9Confident23 Ų2361.5 Ų61.519%0.1934%0.342CS..Hα-helixtrans-59-33.8175.900000112.6E86 K92 V93 L118 D119E86-A90 PolarHBondContact O-N 2.67Å; A90-K92 PolarHBondContact O-N 2.82Å; A90-V93 PolarHBondContact O-N 3.14Å; A90-L118 HydrophobicContact CB-CB 4.22Å; A90-D119 HydrophobicContact CB-CB 4.29Å
91S73.2Confident76.9Confident37 Ų3756.7 Ų56.726%0.25932%0.317SS..THydrogen-bonded Turntrans-67.1-9.2174.2-60.20000114.7T87 A89 F117 R121T87-S91 WeakPolarHBondContact O-CB 3.33Å; T87-S91 PolarHBondContact O-N 3.41Å; T87-S91 VanDerWaalsContact O-N 3.13Å; T87-S91 PolarHBondContact O-OG 3.49Å; A89-S91 PolarHBondContact O-N 3.18Å; S91-F117 VanDerWaalsContact O-CD1 3.28Å; S91-F117 WeakPolarHBondContact O-CD1 3.42Å; S91-F117 WeakPolarHBondContact O-CE1 3.31Å; S91-R121 PolarHBondContact OG-NH2 3.25Å
92K85Confident78.9Confident121 Ų12153.6 Ų53.653%0.52630%0.298SS..THydrogen-bonded Turntrans-95.2-12.6179.8-65.1168.8-173.2167.40113.5I50 K51 A88 A89 A90I50-K92 CarbonylContact C-O 3.56Å; I50-K92 WeakPolarHBondContact CA-O 3.31Å; K51-K92 PolarHBondContact N-O 3.26Å; A88-K92 VanDerWaalsContact O-CE 3.29Å; A88-K92 WeakPolarHBondContact O-CE 3.2Å; A88-K92 WeakPolarHBondContact O-CG 3.36Å; A89-K92 WeakPolarHBondContact O-CB 3.32Å; A89-K92 PolarHBondContact O-N 3.4Å; A90-K92 PolarHBondContact O-N 2.82Å
93V91.9Very high80.7Confident36 Ų3650.2 Ų50.222%0.21828%0.275CS..EExtended strand (participates in β ladder)trans-117124.4-178-177.20000109.6F48 I50 A90 F117 L118F48-V93 HydrophobicContact CB-CG1 4.31Å; F48-V93 HydrophobicContact CD1-CG1 4.21Å; I50-V93 HydrophobicContact CG1-CG2 4.41Å; A90-V93 PolarHBondContact O-N 3.14Å; V93-F117 WeakPolarHBondContact O-CA 3.2Å; V93-L118 HydrophobicContact CB-CD1 3.66Å; V93-L118 HydrophobicContact CB-CG 3.84Å; V93-L118 HydrophobicContact CG1-CD1 3.83Å; V93-L118 HydrophobicContact CG1-CD2 4.28Å; V93-L118 HydrophobicContact CG1-CG 3.96Å; V93-L118 HydrophobicContact CG2-CD1 4.25Å; V93-L118 PolarHBondContact O-N 3.44Å
94I94.4Very high82.5Confident7 Ų747.6 Ų47.64%0.03627%0.271CS..EExtended strand (participates in β ladder)trans-102123.9177.8-58.1162.9000108F48 Q49 K51 Y96 A115 S116 F117 L123F48-I94 WeakPolarHBondContact CA-O 3.49Å; Q49-I94 PolarHBondContact N-O 3.03Å; Q49-I94 PolarHBondContact O-N 3.5Å; K51-I94 HydrophobicContact CB-CD1 4Å; K51-I94 HydrophobicContact CD-CD1 4.3Å; K51-I94 HydrophobicContact CG-CD1 4.44Å; I94-Y96 HydrophobicContact CB-CD2 4.4Å; I94-Y96 HydrophobicContact CB-CE2 3.96Å; I94-Y96 HydrophobicContact CG2-CD2 3.76Å; I94-Y96 HydrophobicContact CG2-CE2 3.43Å; I94-Y96 VanDerWaalsContact CG2-CE2 3.43Å; I94-Y96 HydrophobicContact CG2-CG 4.44Å; I94-A115 HydrophobicContact CG2-CB 3.87Å; I94-S116 CarbonylContact C-O 3.49Å; I94-S116 WeakPolarHBondContact CA-O 3.4Å; I94-F117 HydrophobicContact CG1-CD1 4.24Å; I94-F117 HydrophobicContact CG1-CE1 4.09Å; I94-L123 HydrophobicContact CD1-CD2 3.8Å; I94-L123 HydrophobicContact CG1-CD1 4.42Å; I94-L123 HydrophobicContact CG1-CD2 4.09Å; I94-L123 HydrophobicContact CG2-CD1 4.05Å; I94-L123 HydrophobicContact CG2-CD2 3.87Å
95K96.2Very high84.3Confident57 Ų5748.4 Ų48.425%0.24828%0.281CS..EExtended strand (participates in β ladder)trans-87.2116.3164.9-178.2-163168.3-1490108.4I46 F48 E97 A115 S116I46-K95 HydrophobicContact CG2-CD 4.35Å; I46-K95 HydrophobicContact CG2-CG 3.88Å; F48-K95 HydrophobicContact CD1-CB 3.96Å; F48-K95 HydrophobicContact CD1-CG 4.25Å; F48-K95 HydrophobicContact CE1-CB 3.71Å; F48-K95 HydrophobicContact CE1-CD 4.36Å; F48-K95 HydrophobicContact CE1-CG 3.69Å; F48-K95 HydrophobicContact CZ-CG 4.11Å; K95-E97 IonicContact NZ-OE2 3.35Å; K95-E97 PolarHBondContact NZ-OE2 3.23Å; K95-A115 CarbonylContact O-C 3.57Å; K95-A115 VanDerWaalsContact O-CA 3.26Å; K95-A115 WeakPolarHBondContact O-CA 3.33Å; K95-S116 PolarHBondContact N-O 3.44Å; K95-S116 PolarHBondContact O-N 2.93Å
96Y97.3Very high86Confident1 Ų147.2 Ų47.20%0.00427%0.27CS..EExtended strand (participates in β ladder)trans-94.2146165.3-69.6-93.4000110.7I46 H47 Q49 I94 Y98 A115 I128I46-Y96 WeakPolarHBondContact CA-O 3.46Å; H47-Y96 PolarHBondContact N-O 3.41Å; H47-Y96 PolarHBondContact O-N 2.67Å; Q49-Y96 HydrophobicContact CB-CD2 4.33Å; Q49-Y96 HydrophobicContact CB-CE2 3.96Å; Q49-Y96 VanDerWaalsContact OE1-CE2 3.24Å; Q49-Y96 PolarHBondContact OE1-OH 3.14Å; I94-Y96 HydrophobicContact CB-CD2 4.4Å; I94-Y96 HydrophobicContact CB-CE2 3.96Å; I94-Y96 HydrophobicContact CG2-CD2 3.76Å; I94-Y96 HydrophobicContact CG2-CE2 3.43Å; I94-Y96 VanDerWaalsContact CG2-CE2 3.43Å; I94-Y96 HydrophobicContact CG2-CG 4.44Å; Y96-Y98 VanDerWaalsContact CB-CE2 3.45Å; Y96-Y98 HydrophobicContact CD1-CE1 4.34Å; Y96-Y98 HydrophobicContact CD1-CE2 4.43Å; Y96-Y98 AromaticContact CD1-CZ 3.75Å; Y96-Y98 WeakPolarHBondContact CD1-OH 3.48Å; Y96-Y98 HydrophobicContact CG-CE2 4.17Å; Y96-Y98 AromaticContact CG-CZ 3.93Å; Y96-A115 HydrophobicContact CD1-CB 3.65Å; Y96-A115 HydrophobicContact CE1-CB 3.71Å; Y96-A115 HydrophobicContact CG-CB 4.23Å; Y96-I128 HydrophobicContact CE1-CG1 4.35Å; Y96-I128 HydrophobicContact CE1-CG2 4.18Å
97E97.9Very high87.8Confident17 Ų1744.2 Ų44.28%0.07926%0.255CS..EExtended strand (participates in β ladder)trans-135.8117.2177.2-174.8174.4144.300108I46 K95 H99 F113 R114 F160I46-E97 HydrophobicContact CG1-CG 4.42Å; K95-E97 IonicContact NZ-OE2 3.35Å; K95-E97 PolarHBondContact NZ-OE2 3.23Å; E97-H99 IonicContact OE1-CE1 2.67Å; E97-H99 IonicContact OE1-NE2 3.72Å; E97-H99 PolarHBondContact OE1-NE2 3.44Å; E97-F113 CarbonylContact O-C 2.88Å; E97-F113 VanDerWaalsContact O-CA 3.26Å; E97-F113 WeakPolarHBondContact O-CA 3.28Å; E97-R114 HydrophobicContact CB-CG 3.96Å; E97-R114 PolarHBondContact N-O 3.28Å; E97-R114 PolarHBondContact O-N 3.09Å; E97-R114 IonicContact OE1-CZ 2.81Å; E97-R114 IonicContact OE1-NE 3.25Å; E97-R114 PolarHBondContact OE1-NE 2.94Å; E97-R114 IonicContact OE1-NH2 2.71Å; E97-R114 PolarHBondContact OE1-NH2 2.9Å; E97-R114 IonicContact OE2-CZ 3.28Å; E97-R114 IonicContact OE2-NE 2.72Å; E97-R114 PolarHBondContact OE2-NE 3.4Å; E97-R114 IonicContact OE2-NH2 3.35Å; E97-R114 PolarHBondContact OE2-NH2 2.93Å; E97-F160 HydrophobicContact CG-CE1 4.39Å
98Y98.3Very high89.5Confident0 Ų040.5 Ų40.50%023%0.233CC..EExtended strand (participates in β ladder)trans-120.7123.5-174.3-57.7-78.8000110C44 K45 H47 Y96 L111 F113 V200 L202C44-Y98 CarbonylContact C-O 3.53Å; C44-Y98 WeakPolarHBondContact CA-O 3.32Å; K45-Y98 HydrophobicContact CD-CD2 4.23Å; K45-Y98 PolarHBondContact N-O 2.92Å; K45-Y98 PolarHBondContact O-N 3.47Å; H47-Y98 HydrophobicContact CB-CE2 4.3Å; Y96-Y98 VanDerWaalsContact CB-CE2 3.45Å; Y96-Y98 HydrophobicContact CD1-CE1 4.34Å; Y96-Y98 HydrophobicContact CD1-CE2 4.43Å; Y96-Y98 AromaticContact CD1-CZ 3.75Å; Y96-Y98 WeakPolarHBondContact CD1-OH 3.48Å; Y96-Y98 HydrophobicContact CG-CE2 4.17Å; Y96-Y98 AromaticContact CG-CZ 3.93Å; Y98-L111 HydrophobicContact CD1-CD1 4.49Å; Y98-F113 HydrophobicContact CD1-CB 3.62Å; Y98-F113 HydrophobicContact CE1-CB 4.03Å; Y98-V200 HydrophobicContact CD1-CG2 4.4Å; Y98-V200 HydrophobicContact CE1-CB 4.49Å; Y98-V200 HydrophobicContact CE1-CG2 3.83Å; Y98-V200 PolarHBondContact OH-O 3.39Å; Y98-L202 HydrophobicContact CD1-CB 4.29Å; Y98-L202 HydrophobicContact CD1-CD2 4.19Å; Y98-L202 HydrophobicContact CD2-CD1 4.08Å; Y98-L202 HydrophobicContact CE1-CB 3.79Å; Y98-L202 HydrophobicContact CE2-CB 4.11Å; Y98-L202 HydrophobicContact CE2-CD1 3.97Å; Y98-L202 HydrophobicContact CG-CD2 4.19Å; Y98-L202 PolarHBondContact OH-N 3.21Å
99H98Very high91.1Very high7 Ų738.1 Ų38.13%0.03221%0.213CC..EExtended strand (participates in β ladder)trans-119.1132.4175.8-57.5168.7000110Y42 M43 C44 E97 L101 Y112 H153 F160Y42-H99 HydrophobicContact CD2-CB 3.69Å; Y42-H99 AromaticContact CD2-CD2 3.94Å; Y42-H99 AromaticContact CD2-CG 3.58Å; Y42-H99 AromaticContact CD2-ND1 3.91Å; Y42-H99 HydrophobicContact CE2-CB 4.15Å; Y42-H99 AromaticContact CE2-CD2 3.6Å; Y42-H99 AromaticContact CE2-CE1 3.6Å; Y42-H99 AromaticContact CE2-CG 3.5Å; Y42-H99 VanDerWaalsContact CE2-CG 3.5Å; Y42-H99 AromaticContact CE2-ND1 3.49Å; Y42-H99 WeakPolarHBondContact CE2-ND1 3.48Å; Y42-H99 AromaticContact CE2-NE2 3.66Å; M43-H99 CarbonylContact O-C 3.53Å; M43-H99 WeakPolarHBondContact O-CA 3.5Å; C44-H99 WeakPolarHBondContact CB-CD2 3.38Å; E97-H99 IonicContact OE1-CE1 2.67Å; E97-H99 IonicContact OE1-NE2 3.72Å; E97-H99 PolarHBondContact OE1-NE2 3.44Å; H99-L101 HydrophobicContact CB-CD1 3.8Å; H99-Y112 PolarHBondContact N-O 3.48Å; H99-Y112 PolarHBondContact O-N 2.92Å; H99-H153 AromaticContact CG-NE2 3.65Å; H99-H153 AromaticContact ND1-CD2 3.4Å; H99-H153 PolarHBondContact ND1-CD2 2.93Å; H99-H153 AromaticContact ND1-CE1 3.84Å; H99-H153 AromaticContact ND1-NE2 2.91Å; H99-H153 PolarHBondContact ND1-NE2 2.77Å; H99-F160 AromaticContact CE1-CE1 3.75Å; H99-F160 AromaticContact CE1-CZ 3.48Å; H99-F160 VanDerWaalsContact CE1-CZ 3.48Å; H99-F160 WeakPolarHBondContact CE1-CZ 3.42Å; H99-F160 AromaticContact ND1-CE1 3.67Å; H99-F160 AromaticContact ND1-CZ 3.68Å
100V97.8Very high92.5Very high0 Ų036 Ų360%020%0.195CC..EExtended strand (participates in β ladder)trans-111.2112.9176.4-179.30000108.3F12 W30 Y42 M43 P109 V110 L111 W192 L193F12-V100 HydrophobicContact CE2-CG1 3.91Å; F12-V100 HydrophobicContact CZ-CG1 4.17Å; W30-V100 HydrophobicContact CH2-CG2 4.29Å; W30-V100 HydrophobicContact CZ3-CG2 4.09Å; Y42-V100 WeakPolarHBondContact CA-O 3.48Å; M43-V100 HydrophobicContact CB-CB 4.34Å; M43-V100 HydrophobicContact CE-CB 4.12Å; M43-V100 HydrophobicContact CE-CG2 3.91Å; M43-V100 PolarHBondContact N-O 3.35Å; M43-V100 PolarHBondContact O-N 3.07Å; V100-P109 HydrophobicContact CG1-CB 4.02Å; V100-V110 WeakPolarHBondContact CA-O 3.44Å; V100-L111 HydrophobicContact CG2-CD1 3.99Å; V100-W192 HydrophobicContact CB-CZ3 4.32Å; V100-W192 HydrophobicContact CG1-CH2 3.87Å; V100-W192 HydrophobicContact CG1-CZ3 3.53Å; V100-W192 HydrophobicContact CG2-CH2 4.21Å; V100-W192 HydrophobicContact CG2-CZ3 3.8Å; V100-L193 HydrophobicContact CG2-CD2 4.06Å
101L96.3Very high93.9Very high11 Ų1135 Ų356%0.05819%0.186CC..EExtended strand (participates in β ladder)trans-109161.2180-79.475.5000109.8Y42 H99 P109 V110 Y112 P154 I155Y42-L101 HydrophobicContact CG-CD1 4.23Å; H99-L101 HydrophobicContact CB-CD1 3.8Å; L101-P109 CarbonylContact O-C 3.54Å; L101-P109 VanDerWaalsContact O-CA 3.31Å; L101-P109 WeakPolarHBondContact O-CA 3.24Å; L101-V110 PolarHBondContact N-O 3.03Å; L101-V110 PolarHBondContact O-N 2.8Å; L101-Y112 HydrophobicContact CB-CD2 4.4Å; L101-Y112 HydrophobicContact CB-CE2 4.27Å; L101-Y112 HydrophobicContact CD1-CD2 3.82Å; L101-Y112 HydrophobicContact CD1-CE2 4.33Å; L101-Y112 HydrophobicContact CD1-CG 4.34Å; L101-Y112 HydrophobicContact CD2-CD2 4.43Å; L101-Y112 HydrophobicContact CD2-CE2 4.15Å; L101-Y112 HydrophobicContact CG-CD2 4.43Å; L101-Y112 HydrophobicContact CG-CE2 4.48Å; L101-P154 HydrophobicContact CD2-CB 4.34Å; L101-P154 HydrophobicContact CD2-CG 4.02Å; L101-I155 HydrophobicContact CD2-CD1 4.34Å
102Y95.8Very high95.1Very high33 Ų3334.1 Ų34.113%0.12918%0.178CC..EExtended strand (participates in β ladder)trans-93.3137168.3-177.1-111.5000110.8I7 E9 F12 C104 Q107I7-Y102 HydrophobicContact CG1-CE2 4.45Å; I7-Y102 WeakPolarHBondContact O-CE2 3.46Å; I7-Y102 PolarHBondContact O-OH 3.2Å; E9-Y102 HydrophobicContact CB-CD1 3.8Å; E9-Y102 HydrophobicContact CB-CE1 3.54Å; E9-Y102 HydrophobicContact CB-CG 4.48Å; E9-Y102 HydrophobicContact CG-CD1 3.68Å; E9-Y102 HydrophobicContact CG-CE1 3.97Å; E9-Y102 HydrophobicContact CG-CG 4.27Å; E9-Y102 PolarHBondContact N-OH 3.31Å; F12-Y102 HydrophobicContact CB-CD2 3.81Å; F12-Y102 HydrophobicContact CB-CE2 4.26Å; F12-Y102 HydrophobicContact CD1-CD2 4.21Å; F12-Y102 HydrophobicContact CD1-CG 4.2Å; F12-Y102 HydrophobicContact CD2-CD2 4.11Å; F12-Y102 AromaticContact CG-CD2 3.78Å; F12-Y102 HydrophobicContact CG-CD2 3.78Å; F12-Y102 HydrophobicContact CG-CG 4.24Å; Y102-C104 HydrophobicContact CE1-CB 4.27Å; Y102-Q107 WeakPolarHBondContact OH-CA 3.25Å
103S94.3Very high95.7Very high21 Ų2128.4 Ų28.415%0.14715%0.152CC..EExtended strand (participates in β ladder)trans-100.8109.7168.3-177.50000110.2S105 Y106 Q107 V108S103-S105 VanDerWaalsContact C-N 3.26Å; S103-S105 PolarHBondContact O-N 3.36Å; S103-Y106 PolarHBondContact O-N 2.75Å; S103-Y106 PolarHBondContact OG-N 2.77Å; S103-Q107 VanDerWaalsContact O-CA 3.25Å; S103-Q107 WeakPolarHBondContact O-CA 3.39Å; S103-Q107 PolarHBondContact O-N 2.93Å; S103-V108 PolarHBondContact N-O 3.39Å
104C91.9Very high96Very high84 Ų8429.9 Ų29.957%0.56815%0.154SC*.THydrogen-bonded Turntrans-62.5-33.9175.5-56.60000112.7Y102 Q107Y102-C104 HydrophobicContact CE1-CB 4.27Å; C104-Q107 WeakPolarHBondContact O-CG 3.4Å
105S92.7Very high96.1Very high111 Ų11129.8 Ų29.878%0.77616%0.155SC*.THydrogen-bonded Turntrans-71-32.7-179.2-48.90000113.6S103S103-S105 VanDerWaalsContact C-N 3.26Å; S103-S105 PolarHBondContact O-N 3.36Å
106Y92.6Very high96.1Very high99 Ų9928.4 Ų28.439%0.38815%0.152SC..THydrogen-bonded Turntrans-106.9-9.4-179.9-71.1-85.3000113.7F6 S103 V108 H164 P165 C166F6-Y106 VanDerWaalsContact CD1-O 3.29Å; F6-Y106 WeakPolarHBondContact CD1-O 3.39Å; F6-Y106 WeakPolarHBondContact CE1-O 3.38Å; S103-Y106 PolarHBondContact O-N 2.75Å; S103-Y106 PolarHBondContact OG-N 2.77Å; Y106-V108 VanDerWaalsContact C-N 3.32Å; Y106-V108 PolarHBondContact O-N 2.94Å; Y106-H164 AromaticContact CZ-CE1 3.89Å; Y106-H164 PolarHBondContact OH-CE1 3.13Å; Y106-P165 HydrophobicContact CD2-CB 4.07Å; Y106-P165 HydrophobicContact CD2-CG 3.46Å; Y106-P165 VanDerWaalsContact CD2-CG 3.46Å; Y106-P165 HydrophobicContact CE2-CG 3.87Å; Y106-P165 HydrophobicContact CG-CB 3.98Å; Y106-P165 HydrophobicContact CG-CG 3.89Å; Y106-C166 HydrophobicContact CD1-CB 4.33Å; Y106-C166 HydrophobicContact CE1-CB 3.65Å
107Q94.1Very high96Very high84 Ų8429.7 Ų29.739%0.39316%0.158SC..THydrogen-bonded Turntrans5343.8-178.5-54178.133.200114F6 I7 Y102 S103 C104F6-Q107 HydrophobicContact CB-CB 3.72Å; F6-Q107 HydrophobicContact CD1-CB 3.76Å; F6-Q107 HydrophobicContact CG-CB 4.02Å; I7-Q107 PolarHBondContact N-O 3.4Å; I7-Q107 VanDerWaalsContact N-O 3.08Å; Y102-Q107 WeakPolarHBondContact OH-CA 3.25Å; S103-Q107 VanDerWaalsContact O-CA 3.25Å; S103-Q107 WeakPolarHBondContact O-CA 3.39Å; S103-Q107 PolarHBondContact O-N 2.93Å; C104-Q107 WeakPolarHBondContact O-CG 3.4Å
108V95.2Very high95.7Very high1 Ų133.3 Ų33.31%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-144.3158.7-176.6-67.30000111S103 Y106 P165 T168 N169S103-V108 PolarHBondContact N-O 3.39Å; Y106-V108 VanDerWaalsContact C-N 3.32Å; Y106-V108 PolarHBondContact O-N 2.94Å; V108-P165 HydrophobicContact CG2-CB 3.57Å; V108-T168 HydrophobicContact CB-CG2 3.87Å; V108-T168 HydrophobicContact CG1-CG2 3.91Å; V108-T168 HydrophobicContact CG2-CG2 4.36Å; V108-N169 WeakPolarHBondContact CG1-OD1 3.49Å
109P96Very high95.3Very high0 Ų036.3 Ų36.30%019%0.193CC..EExtended strand (participates in β ladder)trans-67.2152.1167.530.5-37.2000112.2F12 V100 L101 Y188 I189 W192F12-P109 HydrophobicContact CD2-CB 4.13Å; F12-P109 HydrophobicContact CE2-CB 3.83Å; V100-P109 HydrophobicContact CG1-CB 4.02Å; L101-P109 CarbonylContact O-C 3.54Å; L101-P109 VanDerWaalsContact O-CA 3.31Å; L101-P109 WeakPolarHBondContact O-CA 3.24Å; P109-Y188 HydrophobicContact CG-CD1 4.2Å; P109-Y188 HydrophobicContact CG-CE1 3.6Å; P109-I189 HydrophobicContact CB-CD1 4.04Å; P109-I189 HydrophobicContact CG-CD1 4.27Å; P109-W192 HydrophobicContact CB-CD2 4.01Å; P109-W192 HydrophobicContact CB-CE3 3.97Å; P109-W192 HydrophobicContact CB-CH2 3.85Å; P109-W192 HydrophobicContact CB-CZ2 3.88Å; P109-W192 HydrophobicContact CB-CZ3 3.9Å; P109-W192 HydrophobicContact CG-CB 4.47Å; P109-W192 HydrophobicContact CG-CD2 3.47Å; P109-W192 VanDerWaalsContact CG-CD2 3.47Å; P109-W192 HydrophobicContact CG-CE3 3.87Å; P109-W192 HydrophobicContact CG-CG 3.75Å; P109-W192 HydrophobicContact CG-CH2 4.34Å; P109-W192 HydrophobicContact CG-CZ2 3.99Å; P109-W192 HydrophobicContact CG-CZ3 4.29Å
110V96.1Very high94.9Very high6 Ų638.5 Ų38.54%0.03622%0.217CC..EExtended strand (participates in β ladder)trans-128.2130.5177-165.70000109.3V100 L101 Y112 V162 P165V100-V110 WeakPolarHBondContact CA-O 3.44Å; L101-V110 PolarHBondContact N-O 3.03Å; L101-V110 PolarHBondContact O-N 2.8Å; V110-Y112 HydrophobicContact CB-CD2 4.33Å; V110-Y112 HydrophobicContact CB-CE2 3.94Å; V110-Y112 HydrophobicContact CG1-CD2 4.04Å; V110-Y112 HydrophobicContact CG1-CE2 3.59Å; V110-V162 HydrophobicContact CG1-CG1 3.6Å; V110-P165 HydrophobicContact CG2-CB 4.06Å; V110-P165 HydrophobicContact CG2-CG 4.2Å
111L97.3Very high94.7Very high1 Ų144.8 Ų44.81%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-94.4113.6176.2-173.360.3000110Y98 V100 F113 V162 L163 W192 L193 V196 V200Y98-L111 HydrophobicContact CD1-CD1 4.49Å; V100-L111 HydrophobicContact CG2-CD1 3.99Å; L111-F113 HydrophobicContact CG-CD1 4.47Å; L111-V162 WeakPolarHBondContact O-CA 3.49Å; L111-L163 PolarHBondContact O-N 3.4Å; L111-W192 HydrophobicContact CB-CH2 3.65Å; L111-W192 HydrophobicContact CB-CZ2 3.99Å; L111-L193 HydrophobicContact CD1-CD2 4.45Å; L111-V196 HydrophobicContact CD2-CG2 3.97Å; L111-V200 HydrophobicContact CD2-CG2 3.72Å
112Y97.8Very high94.6Very high20 Ų2049.2 Ų49.28%0.07827%0.27CS..EExtended strand (participates in β ladder)trans-96.9133.6165.1-72-110.1000107.7H99 L101 V110 H153 P154 F160 F161 V162H99-Y112 PolarHBondContact N-O 3.48Å; H99-Y112 PolarHBondContact O-N 2.92Å; L101-Y112 HydrophobicContact CB-CD2 4.4Å; L101-Y112 HydrophobicContact CB-CE2 4.27Å; L101-Y112 HydrophobicContact CD1-CD2 3.82Å; L101-Y112 HydrophobicContact CD1-CE2 4.33Å; L101-Y112 HydrophobicContact CD1-CG 4.34Å; L101-Y112 HydrophobicContact CD2-CD2 4.43Å; L101-Y112 HydrophobicContact CD2-CE2 4.15Å; L101-Y112 HydrophobicContact CG-CD2 4.43Å; L101-Y112 HydrophobicContact CG-CE2 4.48Å; V110-Y112 HydrophobicContact CB-CD2 4.33Å; V110-Y112 HydrophobicContact CB-CE2 3.94Å; V110-Y112 HydrophobicContact CG1-CD2 4.04Å; V110-Y112 HydrophobicContact CG1-CE2 3.59Å; Y112-H153 HydrophobicContact CD1-CB 4.29Å; Y112-H153 AromaticContact CD1-CD2 3.83Å; Y112-P154 VanDerWaalsContact CE1-CD 3.49Å; Y112-P154 HydrophobicContact CE1-CG 4.45Å; Y112-P154 WeakPolarHBondContact OH-CD 3.37Å; Y112-P154 WeakPolarHBondContact OH-CG 3.32Å; Y112-F160 HydrophobicContact CD1-CB 3.95Å; Y112-F161 CarbonylContact C-O 3.54Å; Y112-F161 WeakPolarHBondContact CA-O 3.37Å; Y112-V162 HydrophobicContact CD1-CG2 3.37Å; Y112-V162 HydrophobicContact CD2-CG1 4.43Å; Y112-V162 HydrophobicContact CD2-CG2 4.5Å; Y112-V162 HydrophobicContact CE1-CB 4.5Å; Y112-V162 HydrophobicContact CE1-CG1 4.32Å; Y112-V162 HydrophobicContact CE1-CG2 3.34Å; Y112-V162 HydrophobicContact CE2-CG1 4.14Å; Y112-V162 HydrophobicContact CE2-CG2 4.49Å; Y112-V162 HydrophobicContact CG-CG2 3.96Å
113F97.9Very high94.6Very high0 Ų048 Ų480%027%0.266CS..EExtended strand (participates in β ladder)trans-146.3152.9177.768.6-78.2000112.6E97 Y98 L111 L125 I128 I148 F161 V200E97-F113 CarbonylContact O-C 2.88Å; E97-F113 VanDerWaalsContact O-CA 3.26Å; E97-F113 WeakPolarHBondContact O-CA 3.28Å; Y98-F113 HydrophobicContact CD1-CB 3.62Å; Y98-F113 HydrophobicContact CE1-CB 4.03Å; L111-F113 HydrophobicContact CG-CD1 4.47Å; F113-L125 HydrophobicContact CE2-CD1 4.22Å; F113-L125 HydrophobicContact CZ-CD1 3.92Å; F113-I128 HydrophobicContact CD2-CD1 4.2Å; F113-I128 HydrophobicContact CE2-CD1 3.86Å; F113-I128 HydrophobicContact CE2-CG2 4.45Å; F113-I148 HydrophobicContact CE1-CG2 4.11Å; F113-I148 HydrophobicContact CZ-CD1 4.43Å; F113-I148 HydrophobicContact CZ-CG2 3.93Å; F113-F161 HydrophobicContact CD1-CB 3.88Å; F113-F161 WeakPolarHBondContact CD1-O 3.35Å; F113-F161 HydrophobicContact CD2-CB 4.1Å; F113-F161 HydrophobicContact CD2-CD2 4.34Å; F113-F161 HydrophobicContact CE1-CB 3.43Å; F113-F161 VanDerWaalsContact CE1-CB 3.43Å; F113-F161 HydrophobicContact CE2-CB 3.69Å; F113-F161 AromaticContact CE2-CD2 3.96Å; F113-F161 HydrophobicContact CE2-CD2 3.96Å; F113-F161 HydrophobicContact CE2-CG 4.13Å; F113-F161 HydrophobicContact CG-CB 4.19Å; F113-F161 HydrophobicContact CZ-CB 3.33Å; F113-F161 HydrophobicContact CZ-CD2 4.38Å; F113-F161 HydrophobicContact CZ-CG 4.08Å; F113-F161 PolarHBondContact N-O 2.84Å; F113-F161 WeakPolarHBondContact O-CB 3.06Å; F113-F161 PolarHBondContact O-N 3.05Å; F113-V200 HydrophobicContact CD1-CB 4.44Å; F113-V200 HydrophobicContact CD1-CG1 4.03Å; F113-V200 HydrophobicContact CD2-CB 3.98Å; F113-V200 HydrophobicContact CD2-CG1 4.17Å; F113-V200 HydrophobicContact CE1-CB 4.34Å; F113-V200 HydrophobicContact CE1-CG1 3.53Å; F113-V200 HydrophobicContact CE2-CB 3.86Å; F113-V200 HydrophobicContact CE2-CG1 3.68Å; F113-V200 HydrophobicContact CG-CB 4.27Å; F113-V200 HydrophobicContact CG-CG1 4.33Å; F113-V200 HydrophobicContact CZ-CB 4.05Å; F113-V200 HydrophobicContact CZ-CG1 3.33Å
114R97.6Very high94.6Very high68 Ų6850.5 Ų50.526%0.25728%0.281SS..EExtended strand (participates in β ladder)trans-146.2159.5167.163.5-178.6177.7-165.5-7.3110.1E97 F160E97-R114 HydrophobicContact CB-CG 3.96Å; E97-R114 PolarHBondContact N-O 3.28Å; E97-R114 PolarHBondContact O-N 3.09Å; E97-R114 IonicContact OE1-CZ 2.81Å; E97-R114 IonicContact OE1-NE 3.25Å; E97-R114 PolarHBondContact OE1-NE 2.94Å; E97-R114 IonicContact OE1-NH2 2.71Å; E97-R114 PolarHBondContact OE1-NH2 2.9Å; E97-R114 IonicContact OE2-CZ 3.28Å; E97-R114 IonicContact OE2-NE 2.72Å; E97-R114 PolarHBondContact OE2-NE 3.4Å; E97-R114 IonicContact OE2-NH2 3.35Å; E97-R114 PolarHBondContact OE2-NH2 2.93Å; R114-F160 HydrophobicContact CB-CD1 4.22Å; R114-F160 HydrophobicContact CB-CE1 4.44Å; R114-F160 HydrophobicContact CG-CD1 4.04Å; R114-F160 HydrophobicContact CG-CE1 3.76Å; R114-F160 HydrophobicContact CG-CZ 4.11Å; R114-F160 VanDerWaalsContact CZ-CZ 3.49Å
115A97Very high94.6Very high5 Ų548 Ų484%0.04126%0.261CS..EExtended strand (participates in β ladder)trans-135.3144.9173.200000110.1I94 K95 Y96 P122 L123 I128I94-A115 HydrophobicContact CG2-CB 3.87Å; K95-A115 CarbonylContact O-C 3.57Å; K95-A115 VanDerWaalsContact O-CA 3.26Å; K95-A115 WeakPolarHBondContact O-CA 3.33Å; Y96-A115 HydrophobicContact CD1-CB 3.65Å; Y96-A115 HydrophobicContact CE1-CB 3.71Å; Y96-A115 HydrophobicContact CG-CB 4.23Å; A115-P122 WeakPolarHBondContact O-CA 3.13Å; A115-L123 HydrophobicContact CB-CB 4.06Å; A115-L123 HydrophobicContact CB-CD1 4.37Å; A115-L123 HydrophobicContact CB-CD2 4.2Å; A115-L123 HydrophobicContact CB-CG 4.45Å; A115-L123 PolarHBondContact O-N 3.28Å; A115-I128 HydrophobicContact CB-CD1 3.91Å; A115-I128 HydrophobicContact CB-CG1 4.02Å
116S96.2Very high94.5Very high27 Ų2749.2 Ų49.219%0.18925%0.253CS..EExtended strand (participates in β ladder)trans-140.8158.2172.372.50000110.6I94 K95 R121 L123I94-S116 CarbonylContact C-O 3.49Å; I94-S116 WeakPolarHBondContact CA-O 3.4Å; K95-S116 PolarHBondContact N-O 3.44Å; K95-S116 PolarHBondContact O-N 2.93Å; S116-R121 CarbonylContact C-O 3.56Å; S116-R121 WeakPolarHBondContact CA-O 3.43Å; S116-R121 WeakPolarHBondContact CB-O 3.41Å; S116-L123 VanDerWaalsContact C-CD1 3.5Å
117F94.7Very high94.5Very high29 Ų2946.8 Ų46.813%0.12725%0.246CC..EExtended strand (participates in β ladder)trans-69.4168.3161.3-63-76.1000110.3S91 V93 I94 D119 G120 R121 L123S91-F117 VanDerWaalsContact O-CD1 3.28Å; S91-F117 WeakPolarHBondContact O-CD1 3.42Å; S91-F117 WeakPolarHBondContact O-CE1 3.31Å; V93-F117 WeakPolarHBondContact O-CA 3.2Å; I94-F117 HydrophobicContact CG1-CD1 4.24Å; I94-F117 HydrophobicContact CG1-CE1 4.09Å; F117-D119 WeakPolarHBondContact CB-OD1 3.25Å; F117-D119 PolarHBondContact O-N 3.42Å; F117-G120 PolarHBondContact O-N 3.25Å; F117-R121 HydrophobicContact CD2-CB 4.16Å; F117-R121 PolarHBondContact N-O 3.32Å; F117-L123 HydrophobicContact CD1-CD1 4.44Å; F117-L123 HydrophobicContact CD2-CD1 3.73Å; F117-L123 HydrophobicContact CE1-CD1 4.38Å; F117-L123 HydrophobicContact CE2-CD1 3.64Å; F117-L123 HydrophobicContact CE2-CG 4.12Å; F117-L123 HydrophobicContact CG-CD1 4.15Å; F117-L123 HydrophobicContact CZ-CD1 3.99Å; F117-L123 HydrophobicContact CZ-CG 4.29Å
118L91.8Very high94.4Very high93 Ų9342.8 Ų42.849%0.48723%0.228SC..THydrogen-bonded Turntrans-67.9-20.3176.2-67.9-175.5000113.4F48 A90 V93 G120F48-L118 HydrophobicContact CD1-CD2 3.99Å; F48-L118 HydrophobicContact CE1-CD2 3.71Å; A90-L118 HydrophobicContact CB-CB 4.22Å; V93-L118 HydrophobicContact CB-CD1 3.66Å; V93-L118 HydrophobicContact CB-CG 3.84Å; V93-L118 HydrophobicContact CG1-CD1 3.83Å; V93-L118 HydrophobicContact CG1-CD2 4.28Å; V93-L118 HydrophobicContact CG1-CG 3.96Å; V93-L118 HydrophobicContact CG2-CD1 4.25Å; V93-L118 PolarHBondContact O-N 3.44Å; L118-G120 PolarHBondContact O-N 2.6Å
119D89.7Confident94.1Very high63 Ų6345.4 Ų45.434%0.33724%0.238SC..THydrogen-bonded Turntrans-75.4-0.2170.564.130.4000113.8A90 F117 R121A90-D119 HydrophobicContact CB-CB 4.29Å; F117-D119 WeakPolarHBondContact CB-OD1 3.25Å; F117-D119 PolarHBondContact O-N 3.42Å; D119-R121 VanDerWaalsContact CG-NE 3.34Å; D119-R121 VanDerWaalsContact OD1-CB 3.25Å; D119-R121 WeakPolarHBondContact OD1-CB 3.49Å; D119-R121 VanDerWaalsContact OD1-CG 3.3Å; D119-R121 WeakPolarHBondContact OD1-CG 3.37Å; D119-R121 PolarHBondContact OD1-N 2.93Å; D119-R121 IonicContact OD1-NE 3.5Å; D119-R121 PolarHBondContact OD1-NE 2.97Å; D119-R121 IonicContact OD2-CZ 2.67Å; D119-R121 IonicContact OD2-NE 3.18Å; D119-R121 PolarHBondContact OD2-NE 2.93Å; D119-R121 IonicContact OD2-NH2 2.9Å; D119-R121 PolarHBondContact OD2-NH2 3.4Å
120G90Very high93.8Very high52 Ų5249.9 Ų49.954%0.53626%0.258SS..SBendtrans87.9-7.1178.100000115.4F117 L118F117-G120 PolarHBondContact O-N 3.25Å; L118-G120 PolarHBondContact O-N 2.6Å
121R93.9Very high93.3Very high133 Ų13351.7 Ų51.750%0.50228%0.278SS..PPolyproline II helixtrans-64.9125.2176.4-69.2-179.7-65.2160.7-2.2110.7S91 S116 F117 D119S91-R121 PolarHBondContact OG-NH2 3.25Å; S116-R121 CarbonylContact C-O 3.56Å; S116-R121 WeakPolarHBondContact CA-O 3.43Å; S116-R121 WeakPolarHBondContact CB-O 3.41Å; F117-R121 HydrophobicContact CD2-CB 4.16Å; F117-R121 PolarHBondContact N-O 3.32Å; D119-R121 VanDerWaalsContact CG-NE 3.34Å; D119-R121 VanDerWaalsContact OD1-CB 3.25Å; D119-R121 WeakPolarHBondContact OD1-CB 3.49Å; D119-R121 VanDerWaalsContact OD1-CG 3.3Å; D119-R121 WeakPolarHBondContact OD1-CG 3.37Å; D119-R121 PolarHBondContact OD1-N 2.93Å; D119-R121 IonicContact OD1-NE 3.5Å; D119-R121 PolarHBondContact OD1-NE 2.97Å; D119-R121 IonicContact OD2-CZ 2.67Å; D119-R121 IonicContact OD2-NE 3.18Å; D119-R121 PolarHBondContact OD2-NE 2.93Å; D119-R121 IonicContact OD2-NH2 2.9Å; D119-R121 PolarHBondContact OD2-NH2 3.4Å
122P94.9Very high92.8Very high104 Ų10451.9 Ų51.968%0.67528%0.279SS*.BIsolated β-bridgetrans-71.6146.8179.130.4-35000111.3A115A115-P122 WeakPolarHBondContact O-CA 3.13Å
123L94.9Very high92.2Very high6 Ų657.3 Ų57.33%0.03131%0.305CS..PPolyproline II helixtrans-84.3144.4169.3-83.973.6000110I94 A115 S116 F117 D127 I128I94-L123 HydrophobicContact CD1-CD2 3.8Å; I94-L123 HydrophobicContact CG1-CD1 4.42Å; I94-L123 HydrophobicContact CG1-CD2 4.09Å; I94-L123 HydrophobicContact CG2-CD1 4.05Å; I94-L123 HydrophobicContact CG2-CD2 3.87Å; A115-L123 HydrophobicContact CB-CB 4.06Å; A115-L123 HydrophobicContact CB-CD1 4.37Å; A115-L123 HydrophobicContact CB-CD2 4.2Å; A115-L123 HydrophobicContact CB-CG 4.45Å; A115-L123 PolarHBondContact O-N 3.28Å; S116-L123 VanDerWaalsContact C-CD1 3.5Å; F117-L123 HydrophobicContact CD1-CD1 4.44Å; F117-L123 HydrophobicContact CD2-CD1 3.73Å; F117-L123 HydrophobicContact CE1-CD1 4.38Å; F117-L123 HydrophobicContact CE2-CD1 3.64Å; F117-L123 HydrophobicContact CE2-CG 4.12Å; F117-L123 HydrophobicContact CG-CD1 4.15Å; F117-L123 HydrophobicContact CZ-CD1 3.99Å; F117-L123 HydrophobicContact CZ-CG 4.29Å; L123-D127 HydrophobicContact CB-CB 4Å; L123-D127 HydrophobicContact CD2-CB 3.96Å; L123-D127 HydrophobicContact CG-CB 3.98Å; L123-I128 HydrophobicContact CB-CG1 4.1Å; L123-I128 HydrophobicContact CD2-CG1 4.29Å
124T94.3Very high91.6Very high75 Ų7562.8 Ų62.846%0.4633%0.331SS..PPolyproline II helixtrans-76.3163.1167.672.60000110.6K126 D127 I128T124-K126 PolarHBondContact O-N 3.35Å; T124-K126 PolarHBondContact OG1-N 3.28Å; T124-D127 VanDerWaalsContact CB-OD2 3.28Å; T124-D127 WeakPolarHBondContact CB-OD2 3.46Å; T124-D127 WeakPolarHBondContact CG2-OD2 3.03Å; T124-D127 PolarHBondContact N-OD2 3.4Å; T124-D127 PolarHBondContact O-N 3.49Å; T124-D127 VanDerWaalsContact O-N 3.09Å; T124-D127 PolarHBondContact OG1-N 2.91Å; T124-D127 PolarHBondContact OG1-OD2 3.4Å; T124-I128 PolarHBondContact O-N 2.81Å; T124-I128 VanDerWaalsContact O-N 3.15Å
125L91.9Very high90.9Very high31 Ų3163.6 Ų63.616%0.16235%0.346CS..Hα-helixtrans-57.3-32.7173.2-175.659.8000112.2F113 I128 W129 I148 F161F113-L125 HydrophobicContact CE2-CD1 4.22Å; F113-L125 HydrophobicContact CZ-CD1 3.92Å; L125-I128 PolarHBondContact O-N 3.25Å; L125-W129 HydrophobicContact CD1-CD2 4.24Å; L125-W129 HydrophobicContact CD1-CZ2 4.01Å; L125-W129 HydrophobicContact CD2-CH2 3.67Å; L125-W129 HydrophobicContact CD2-CZ2 3.63Å; L125-W129 HydrophobicContact CD2-CZ3 4.19Å; L125-W129 HydrophobicContact CG-CD2 3.94Å; L125-W129 HydrophobicContact CG-CE3 4.18Å; L125-W129 HydrophobicContact CG-CH2 4.03Å; L125-W129 HydrophobicContact CG-CZ2 3.77Å; L125-W129 HydrophobicContact CG-CZ3 4.22Å; L125-W129 WeakPolarHBondContact O-CB 3.29Å; L125-W129 VanDerWaalsContact O-CG 3.29Å; L125-W129 PolarHBondContact O-N 2.71Å; L125-I148 HydrophobicContact CD1-CG2 3.87Å; L125-I148 HydrophobicContact CD2-CB 4.22Å; L125-I148 HydrophobicContact CD2-CG2 3.68Å; L125-I148 HydrophobicContact CG-CG2 4.46Å; L125-F161 HydrophobicContact CB-CD1 4.4Å; L125-F161 HydrophobicContact CB-CE1 3.98Å; L125-F161 HydrophobicContact CB-CZ 4.11Å
126K90.8Very high90.2Very high137 Ų13767 Ų6760%0.59636%0.358SS*.Hα-helixtrans-64-46.6174.3-172.6-175.4179.4-96.20111.7T124 I128 W129 E130T124-K126 PolarHBondContact O-N 3.35Å; T124-K126 PolarHBondContact OG1-N 3.28Å; K126-I128 VanDerWaalsContact C-N 3.26Å; K126-I128 PolarHBondContact O-N 2.95Å; K126-W129 PolarHBondContact O-N 2.85Å; K126-E130 WeakPolarHBondContact CE-OE1 3.49Å; K126-E130 IonicContact NZ-OE1 2.69Å; K126-E130 PolarHBondContact NZ-OE1 2.92Å; K126-E130 WeakPolarHBondContact O-CG 3.27Å; K126-E130 PolarHBondContact O-N 2.84Å
127D92Very high89.5Confident47 Ų4768.7 Ų68.725%0.25136%0.362SS..Hα-helixtrans-61.5-36.7178.9-59.7-65.3000112L123 T124L123-D127 HydrophobicContact CB-CB 4Å; L123-D127 HydrophobicContact CD2-CB 3.96Å; L123-D127 HydrophobicContact CG-CB 3.98Å; T124-D127 VanDerWaalsContact CB-OD2 3.28Å; T124-D127 WeakPolarHBondContact CB-OD2 3.46Å; T124-D127 WeakPolarHBondContact CG2-OD2 3.03Å; T124-D127 PolarHBondContact N-OD2 3.4Å; T124-D127 PolarHBondContact O-N 3.49Å; T124-D127 VanDerWaalsContact O-N 3.09Å; T124-D127 PolarHBondContact OG1-N 2.91Å; T124-D127 PolarHBondContact OG1-OD2 3.4Å
128I91.8Very high88.7Confident0 Ų072.4 Ų72.40%039%0.387CS..Hα-helixtrans-65.8-49.4175.2-64.9170.6000109.9Y96 F113 A115 L123 T124 L125 K126 E130 G131 V132 F161Y96-I128 HydrophobicContact CE1-CG1 4.35Å; Y96-I128 HydrophobicContact CE1-CG2 4.18Å; F113-I128 HydrophobicContact CD2-CD1 4.2Å; F113-I128 HydrophobicContact CE2-CD1 3.86Å; F113-I128 HydrophobicContact CE2-CG2 4.45Å; A115-I128 HydrophobicContact CB-CD1 3.91Å; A115-I128 HydrophobicContact CB-CG1 4.02Å; L123-I128 HydrophobicContact CB-CG1 4.1Å; L123-I128 HydrophobicContact CD2-CG1 4.29Å; T124-I128 PolarHBondContact O-N 2.81Å; T124-I128 VanDerWaalsContact O-N 3.15Å; L125-I128 PolarHBondContact O-N 3.25Å; K126-I128 VanDerWaalsContact C-N 3.26Å; K126-I128 PolarHBondContact O-N 2.95Å; I128-E130 VanDerWaalsContact C-N 3.33Å; I128-E130 PolarHBondContact O-N 2.8Å; I128-G131 PolarHBondContact O-N 2.78Å; I128-G131 VanDerWaalsContact O-N 3.07Å; I128-V132 PolarHBondContact O-N 2.9Å; I128-F161 HydrophobicContact CD1-CD2 4.1Å; I128-F161 HydrophobicContact CD1-CE2 4.05Å
129W90.6Very high87.8Confident57 Ų5773.6 Ų73.622%0.21639%0.385CS..Hα-helixtrans-66-28.8179.5-72.1-17.1000114.3L125 K126 G131 V132 K137 L140 I148 V199L125-W129 HydrophobicContact CD1-CD2 4.24Å; L125-W129 HydrophobicContact CD1-CZ2 4.01Å; L125-W129 HydrophobicContact CD2-CH2 3.67Å; L125-W129 HydrophobicContact CD2-CZ2 3.63Å; L125-W129 HydrophobicContact CD2-CZ3 4.19Å; L125-W129 HydrophobicContact CG-CD2 3.94Å; L125-W129 HydrophobicContact CG-CE3 4.18Å; L125-W129 HydrophobicContact CG-CH2 4.03Å; L125-W129 HydrophobicContact CG-CZ2 3.77Å; L125-W129 HydrophobicContact CG-CZ3 4.22Å; L125-W129 WeakPolarHBondContact O-CB 3.29Å; L125-W129 VanDerWaalsContact O-CG 3.29Å; L125-W129 PolarHBondContact O-N 2.71Å; K126-W129 PolarHBondContact O-N 2.85Å; W129-G131 VanDerWaalsContact C-N 3.25Å; W129-G131 PolarHBondContact O-N 2.92Å; W129-V132 PolarHBondContact O-N 2.81Å; W129-K137 WeakPolarHBondContact O-CE 3.26Å; W129-L140 HydrophobicContact CB-CD1 3.8Å; W129-L140 HydrophobicContact CD2-CD1 4.08Å; W129-L140 HydrophobicContact CG-CD1 3.6Å; W129-I148 HydrophobicContact CZ2-CD1 4.22Å; W129-V199 PolarHBondContact NE1-O 3.42Å
130E88.8Confident87Confident94 Ų9470.9 Ų70.944%0.43937%0.371SS..Hα-helixtrans-62.1-34.1170.5-77.3176.8-168.800112.1K126 I128K126-E130 WeakPolarHBondContact CE-OE1 3.49Å; K126-E130 IonicContact NZ-OE1 2.69Å; K126-E130 PolarHBondContact NZ-OE1 2.92Å; K126-E130 WeakPolarHBondContact O-CG 3.27Å; K126-E130 PolarHBondContact O-N 2.84Å; I128-E130 VanDerWaalsContact C-N 3.33Å; I128-E130 PolarHBondContact O-N 2.8Å
131G85.4Confident86Confident44 Ų4475.2 Ų75.245%0.45438%0.381SS..THydrogen-bonded Turntrans-82.6-9.6176.600000115.4I128 W129I128-G131 PolarHBondContact O-N 2.78Å; I128-G131 VanDerWaalsContact O-N 3.07Å; W129-G131 VanDerWaalsContact C-N 3.25Å; W129-G131 PolarHBondContact O-N 2.92Å
132V87Confident85Confident5 Ų574.3 Ų74.33%0.0338%0.382CS..SBendtrans-75.6142.6175.6168.90000110.4I128 W129 Y136 K137 L140 P198I128-V132 PolarHBondContact O-N 2.9Å; W129-V132 PolarHBondContact O-N 2.81Å; V132-Y136 HydrophobicContact CG1-CD2 4.07Å; V132-Y136 HydrophobicContact CG1-CG 4.26Å; V132-K137 WeakPolarHBondContact O-CE 3.4Å; V132-L140 HydrophobicContact CG1-CD1 4.44Å; V132-P198 WeakPolarHBondContact CG1-O 3.46Å
133H86.2Confident83.7Confident133 Ų13371.3 Ų71.362%0.61637%0.37SS*.  trans-60.6140.1-179.5-175.8-95.1000112.3C135 Y136H133-C135 PolarHBondContact ND1-N 2.97Å; H133-C135 PolarHBondContact ND1-SG 2.95Å; H133-C135 PolarHBondContact O-N 3.21Å; H133-Y136 HydrophobicContact CB-CD2 4.11Å; H133-Y136 HydrophobicContact CB-CE2 4.34Å; H133-Y136 PolarHBondContact O-N 2.99Å
134E84.7Confident82.7Confident116 Ų11671.3 Ų71.354%0.54237%0.37SS..Hα-helixtrans-53.4-35.7-168.7-161.160.6-140.700113.8Y136 K137E134-Y136 PolarHBondContact O-N 2.79Å; E134-K137 PolarHBondContact O-N 2.96Å; E134-K137 WeakPolarHBondContact OE2-CD 3.49Å; E134-K137 WeakPolarHBondContact OE2-CE 3.34Å; E134-K137 IonicContact OE2-NZ 3.49Å; E134-K137 PolarHBondContact OE2-NZ 3.45Å
135C83.1Confident82.1Confident84 Ų8467.9 Ų67.957%0.56835%0.349SS*.Hα-helixtrans-61.9-17.2179.774.80000114.6H133H133-C135 PolarHBondContact ND1-N 2.97Å; H133-C135 PolarHBondContact ND1-SG 2.95Å; H133-C135 PolarHBondContact O-N 3.21Å
136Y81.3Confident81.6Confident76 Ų7671.3 Ų71.330%0.29837%0.367SS..Hα-helixtrans-94.1-25.3174.5-59.6-73.9000112.6V132 H133 E134 T138 R139 L140 P198 V199V132-Y136 HydrophobicContact CG1-CD2 4.07Å; V132-Y136 HydrophobicContact CG1-CG 4.26Å; H133-Y136 HydrophobicContact CB-CD2 4.11Å; H133-Y136 HydrophobicContact CB-CE2 4.34Å; H133-Y136 PolarHBondContact O-N 2.99Å; E134-Y136 PolarHBondContact O-N 2.79Å; Y136-T138 PolarHBondContact O-N 3.34Å; Y136-R139 CarbonylContact O-C 3.51Å; Y136-R139 WeakPolarHBondContact O-CA 3.31Å; Y136-R139 WeakPolarHBondContact O-CB 3.48Å; Y136-R139 PolarHBondContact O-N 3.49Å; Y136-L140 WeakPolarHBondContact O-CG 3.36Å; Y136-L140 PolarHBondContact O-N 3.39Å; Y136-P198 HydrophobicContact CD1-CB 4.23Å; Y136-P198 HydrophobicContact CD2-CB 4.11Å; Y136-P198 HydrophobicContact CE1-CB 3.72Å; Y136-P198 HydrophobicContact CE1-CG 4.36Å; Y136-P198 HydrophobicContact CE2-CB 3.58Å; Y136-P198 HydrophobicContact CG-CB 4.42Å; Y136-V199 HydrophobicContact CD1-CG1 4.38Å
137K81.2Confident81.3Confident64 Ų6466 Ų6628%0.27835%0.347SS..Hα-helixtrans-58.4-43.9-169.4-69.7-169.9-168.6158.30113.7W129 V132 E134 R139 L140W129-K137 WeakPolarHBondContact O-CE 3.26Å; V132-K137 WeakPolarHBondContact O-CE 3.4Å; E134-K137 PolarHBondContact O-N 2.96Å; E134-K137 WeakPolarHBondContact OE2-CD 3.49Å; E134-K137 WeakPolarHBondContact OE2-CE 3.34Å; E134-K137 IonicContact OE2-NZ 3.49Å; E134-K137 PolarHBondContact OE2-NZ 3.45Å; K137-R139 PolarHBondContact O-N 3.39Å; K137-L140 HydrophobicContact CB-CD1 4.48Å; K137-L140 HydrophobicContact CG-CD1 4.25Å; K137-L140 WeakPolarHBondContact O-CB 3.48Å; K137-L140 PolarHBondContact O-N 3.28Å; K137-L140 VanDerWaalsContact O-N 3.12Å
138T78.6Confident81.3Confident106 Ų10664.6 Ų64.665%0.6534%0.339SS*.Hα-helixtrans-58.9-30.3174.9-44.70000112.6Y136Y136-T138 PolarHBondContact O-N 3.34Å
139R72.9Confident81.4Confident119 Ų11967.4 Ų67.445%0.44936%0.356SS..Hα-helixtrans-84.1-27.4178.6-161.7178.4177.9176.61112.4Y136 K137 L141 Q142Y136-R139 CarbonylContact O-C 3.51Å; Y136-R139 WeakPolarHBondContact O-CA 3.31Å; Y136-R139 WeakPolarHBondContact O-CB 3.48Å; Y136-R139 PolarHBondContact O-N 3.49Å; K137-R139 PolarHBondContact O-N 3.39Å; R139-L141 PolarHBondContact O-N 3.02Å; R139-Q142 WeakPolarHBondContact O-CA 3.23Å; R139-Q142 WeakPolarHBondContact O-CB 3.4Å; R139-Q142 PolarHBondContact O-N 2.95Å; R139-Q142 VanDerWaalsContact O-O 3.09Å
140L72.4Confident81.6Confident6 Ų671 Ų713%0.03138%0.375CS..Hα-helixtrans-56.6-31.6178.4-62.3176.2000112.9W129 V132 Y136 K137 Q142 V199W129-L140 HydrophobicContact CB-CD1 3.8Å; W129-L140 HydrophobicContact CD2-CD1 4.08Å; W129-L140 HydrophobicContact CG-CD1 3.6Å; V132-L140 HydrophobicContact CG1-CD1 4.44Å; Y136-L140 WeakPolarHBondContact O-CG 3.36Å; Y136-L140 PolarHBondContact O-N 3.39Å; K137-L140 HydrophobicContact CB-CD1 4.48Å; K137-L140 HydrophobicContact CG-CD1 4.25Å; K137-L140 WeakPolarHBondContact O-CB 3.48Å; K137-L140 PolarHBondContact O-N 3.28Å; K137-L140 VanDerWaalsContact O-N 3.12Å; L140-Q142 PolarHBondContact O-N 3.1Å; L140-V199 HydrophobicContact CD2-CB 3.45Å; L140-V199 VanDerWaalsContact CD2-CB 3.45Å; L140-V199 HydrophobicContact CD2-CG1 3.57Å
141L69.3Low82Confident142 Ų14270 Ų7074%0.74337%0.371SS*.THydrogen-bonded Turntrans-84.58.6177-58.4177.1000113.4R139R139-L141 PolarHBondContact O-N 3.02Å
142Q73.1Confident82.5Confident115 Ų11574.2 Ų74.254%0.53738%0.379SS..SBendtrans-126.7158-179.8-60.5-175.4-5.100110.4R139 L140 W145R139-Q142 WeakPolarHBondContact O-CA 3.23Å; R139-Q142 WeakPolarHBondContact O-CB 3.4Å; R139-Q142 PolarHBondContact O-N 2.95Å; R139-Q142 VanDerWaalsContact O-O 3.09Å; L140-Q142 PolarHBondContact O-N 3.1Å; Q142-W145 PolarHBondContact O-N 3.36Å; Q142-W145 VanDerWaalsContact O-N 3.13Å
143G67.9Low82.9Confident40 Ų4074 Ų7441%0.41238%0.377SS..THydrogen-bonded Turntrans-54.2139.4173.200000112.3D146G143-D146 WeakPolarHBondContact CA-OD1 3.4Å
144P73.9Confident83.2Confident7 Ų772 Ų725%0.04538%0.376CS..THydrogen-bonded Turncis-96.75.77.439.4-37.7000115D146 T147 K167 F171P144-D146 VanDerWaalsContact C-N 3.31Å; P144-D146 PolarHBondContact O-N 3.34Å; P144-T147 WeakPolarHBondContact O-CB 3.47Å; P144-T147 PolarHBondContact O-N 3.39Å; P144-T147 PolarHBondContact O-OG1 3.16Å; P144-K167 HydrophobicContact CB-CB 3.44Å; P144-K167 VanDerWaalsContact CB-CB 3.44Å; P144-K167 HydrophobicContact CB-CG 3.95Å; P144-F171 HydrophobicContact CG-CD1 3.94Å; P144-F171 HydrophobicContact CG-CE1 3.93Å
145W81.6Confident83.6Confident3 Ų368.7 Ų68.71%0.01136%0.361CS..G310 helixtrans-80-16.2-169.4-44.5124.6000113.3Q142 T147 I148 L163 F171 I195 V196 V199Q142-W145 PolarHBondContact O-N 3.36Å; Q142-W145 VanDerWaalsContact O-N 3.13Å; W145-T147 PolarHBondContact O-N 2.95Å; W145-I148 WeakPolarHBondContact O-CG1 3.26Å; W145-I148 PolarHBondContact O-N 3.09Å; W145-L163 HydrophobicContact CE3-CD1 3.71Å; W145-L163 HydrophobicContact CE3-CD2 4.16Å; W145-L163 HydrophobicContact CZ3-CD1 4.04Å; W145-L163 HydrophobicContact CZ3-CD2 3.63Å; W145-L163 HydrophobicContact CZ3-CG 4.49Å; W145-F171 HydrophobicContact CH2-CE1 4.46Å; W145-F171 HydrophobicContact CH2-CZ 4.47Å; W145-I195 HydrophobicContact CH2-CG2 4.01Å; W145-I195 WeakPolarHBondContact CH2-O 3.42Å; W145-I195 HydrophobicContact CZ2-CG2 4.15Å; W145-V196 HydrophobicContact CH2-CB 4.22Å; W145-V196 HydrophobicContact CH2-CG1 3.89Å; W145-V196 HydrophobicContact CZ3-CB 4.06Å; W145-V196 HydrophobicContact CZ3-CG1 3.85Å; W145-V199 HydrophobicContact CD2-CB 4.35Å; W145-V199 HydrophobicContact CD2-CG1 4.04Å; W145-V199 HydrophobicContact CD2-CG2 3.86Å; W145-V199 HydrophobicContact CE3-CG2 3.73Å; W145-V199 HydrophobicContact CG-CG1 4.15Å; W145-V199 HydrophobicContact CG-CG2 4.45Å; W145-V199 HydrophobicContact CH2-CG2 4.32Å; W145-V199 HydrophobicContact CZ2-CG1 4.37Å; W145-V199 HydrophobicContact CZ2-CG2 4.43Å; W145-V199 HydrophobicContact CZ3-CG2 3.96Å
146D80.1Confident84.1Confident102 Ų10267.6 Ų67.655%0.54535%0.35SS..G310 helixtrans-57.7-18.8164.562.8-17.1000113.6G143 P144 I148G143-D146 WeakPolarHBondContact CA-OD1 3.4Å; P144-D146 VanDerWaalsContact C-N 3.31Å; P144-D146 PolarHBondContact O-N 3.34Å; D146-I148 VanDerWaalsContact C-N 3.32Å; D146-I148 PolarHBondContact O-N 3.45Å
147T85.6Confident84.7Confident27 Ų2766.1 Ų66.117%0.16636%0.358CS..G310 helixtrans-85.87.117772.20000114.8P144 W145 T149 H164 K167P144-T147 WeakPolarHBondContact O-CB 3.47Å; P144-T147 PolarHBondContact O-N 3.39Å; P144-T147 PolarHBondContact O-OG1 3.16Å; W145-T147 PolarHBondContact O-N 2.95Å; T147-T149 PolarHBondContact O-N 3.11Å; T147-H164 WeakPolarHBondContact O-CB 3.46Å; T147-H164 PolarHBondContact O-N 2.88Å; T147-K167 HydrophobicContact CG2-CG 4.11Å
148I92.5Very high85.4Confident16 Ų1666.9 Ų66.98%0.08236%0.363CS..EExtended strand (participates in β ladder)trans-70.4122173.6-64.8173000109.7F113 L125 W129 W145 D146 F161 V162 L163 V200F113-I148 HydrophobicContact CE1-CG2 4.11Å; F113-I148 HydrophobicContact CZ-CD1 4.43Å; F113-I148 HydrophobicContact CZ-CG2 3.93Å; L125-I148 HydrophobicContact CD1-CG2 3.87Å; L125-I148 HydrophobicContact CD2-CB 4.22Å; L125-I148 HydrophobicContact CD2-CG2 3.68Å; L125-I148 HydrophobicContact CG-CG2 4.46Å; W129-I148 HydrophobicContact CZ2-CD1 4.22Å; W145-I148 WeakPolarHBondContact O-CG1 3.26Å; W145-I148 PolarHBondContact O-N 3.09Å; D146-I148 VanDerWaalsContact C-N 3.32Å; D146-I148 PolarHBondContact O-N 3.45Å; I148-F161 HydrophobicContact CG2-CB 4.31Å; I148-V162 WeakPolarHBondContact CA-O 3.31Å; I148-L163 HydrophobicContact CG1-CB 4.34Å; I148-L163 HydrophobicContact CG1-CD1 3.85Å; I148-V200 HydrophobicContact CD1-CG1 4.18Å
149T93.3Very high86.3Confident60 Ų6065.7 Ų65.737%0.36836%0.357SS..EExtended strand (participates in β ladder)trans-129.1168.5-178.151.40000110.6T147 Q151 F161 V162T147-T149 PolarHBondContact O-N 3.11Å; T149-Q151 PolarHBondContact OG1-NE2 3.38Å; T149-F161 CarbonylContact O-C 3.51Å; T149-F161 VanDerWaalsContact O-CA 3.31Å; T149-F161 WeakPolarHBondContact O-CA 3.21Å; T149-V162 PolarHBondContact N-O 3.46Å; T149-V162 PolarHBondContact O-N 3.19Å
150Q95.6Very high87.5Confident132 Ų13260.1 Ų60.162%0.61734%0.336SS*.EExtended strand (participates in β ladder)trans-100.2126.2170.3-168.21758.600109.1F160 F161Q150-F160 WeakPolarHBondContact CA-O 3.4Å; Q150-F161 HydrophobicContact CB-CD1 4.27Å; Q150-F161 HydrophobicContact CB-CE1 4.39Å
151Q96.4Very high88.7Confident72 Ų7261.2 Ų61.234%0.33634%0.34SS..EExtended strand (participates in β ladder)trans-139.3165.4-178.9-52.2-173.922.200110.9T149 F160 V162T149-Q151 PolarHBondContact OG1-NE2 3.38Å; Q151-F160 PolarHBondContact N-O 2.9Å; Q151-F160 PolarHBondContact O-N 2.9Å; Q151-F160 VanDerWaalsContact O-O 3.09Å; Q151-V162 HydrophobicContact CB-CG2 3.82Å; Q151-V162 HydrophobicContact CG-CB 4.3Å; Q151-V162 HydrophobicContact CG-CG2 4.12Å
152E96.3Very high89.9Confident134 Ų13454.5 Ų54.563%0.62631%0.305SS*.EExtended strand (participates in β ladder)trans-78.4133.9172.7-171.1172.4-162.900110.5P154 G157E152-P154 WeakPolarHBondContact O-CD 3.26Å; E152-G157 WeakPolarHBondContact OE1-CA 3.45Å
153H95.1Very high90.8Very high0 Ų049.4 Ų49.40%028%0.282CS..  trans-71.8117.4178.2-175.6-74.6000110.5H99 Y112 I155 L156 G157 Q158 F160H99-H153 AromaticContact CG-NE2 3.65Å; H99-H153 AromaticContact ND1-CD2 3.4Å; H99-H153 PolarHBondContact ND1-CD2 2.93Å; H99-H153 AromaticContact ND1-CE1 3.84Å; H99-H153 AromaticContact ND1-NE2 2.91Å; H99-H153 PolarHBondContact ND1-NE2 2.77Å; Y112-H153 HydrophobicContact CD1-CB 4.29Å; Y112-H153 AromaticContact CD1-CD2 3.83Å; H153-I155 PolarHBondContact ND1-N 2.81Å; H153-I155 PolarHBondContact O-N 2.99Å; H153-L156 HydrophobicContact CB-CB 4.1Å; H153-L156 WeakPolarHBondContact ND1-CG 3.15Å; H153-L156 PolarHBondContact ND1-N 3.07Å; H153-L156 PolarHBondContact O-N 3.34Å; H153-G157 PolarHBondContact O-N 3.29Å; H153-Q158 WeakPolarHBondContact CB-O 3.34Å; H153-Q158 PolarHBondContact N-O 2.81Å; H153-F160 HydrophobicContact CB-CD2 3.69Å; H153-F160 HydrophobicContact CB-CE2 4.04Å; H153-F160 HydrophobicContact CB-CG 4.37Å
154P92.9Very high91.9Very high90 Ų9050.1 Ų50.158%0.58427%0.274SS*.THydrogen-bonded Turntrans-53-32.6-168.1-3134.9000116L101 Y112 E152L101-P154 HydrophobicContact CD2-CB 4.34Å; L101-P154 HydrophobicContact CD2-CG 4.02Å; Y112-P154 VanDerWaalsContact CE1-CD 3.49Å; Y112-P154 HydrophobicContact CE1-CG 4.45Å; Y112-P154 WeakPolarHBondContact OH-CD 3.37Å; Y112-P154 WeakPolarHBondContact OH-CG 3.32Å; E152-P154 WeakPolarHBondContact O-CD 3.26Å
155I92.7Very high92.8Very high47 Ų4750.4 Ų50.424%0.24128%0.276CS..THydrogen-bonded Turntrans-96.4-17.9-178-61.5164.5000112.8Y42 L101 H153Y42-I155 HydrophobicContact CD1-CD1 3.78Å; Y42-I155 HydrophobicContact CE1-CD1 4.48Å; Y42-I155 HydrophobicContact CE1-CG2 4.21Å; L101-I155 HydrophobicContact CD2-CD1 4.34Å; H153-I155 PolarHBondContact ND1-N 2.81Å; H153-I155 PolarHBondContact O-N 2.99Å
156L93.3Very high93.2Very high61 Ų6153.2 Ų53.232%0.31930%0.295SS..THydrogen-bonded Turntrans-115-16-169-64.7176.7000114.4H153 Q158 F160H153-L156 HydrophobicContact CB-CB 4.1Å; H153-L156 WeakPolarHBondContact ND1-CG 3.15Å; H153-L156 PolarHBondContact ND1-N 3.07Å; H153-L156 PolarHBondContact O-N 3.34Å; L156-Q158 VanDerWaalsContact C-N 3.27Å; L156-Q158 HydrophobicContact CB-CB 4.47Å; L156-Q158 PolarHBondContact O-N 3.35Å; L156-F160 HydrophobicContact CD1-CE2 4.36Å; L156-F160 HydrophobicContact CD1-CZ 4.36Å
157G94.6Very high93.6Very high46 Ų4652 Ų5247%0.47429%0.285SS..  trans6332.4-177.900000113.5E152 H153E152-G157 WeakPolarHBondContact OE1-CA 3.45Å; H153-G157 PolarHBondContact O-N 3.29Å
158Q95.4Very high94Very high80 Ų8050.8 Ų50.837%0.37428%0.278SS..  trans-129.9148.1-173.4-74-176.98.500111.5H153 L156 F160H153-Q158 WeakPolarHBondContact CB-O 3.34Å; H153-Q158 PolarHBondContact N-O 2.81Å; L156-Q158 VanDerWaalsContact C-N 3.27Å; L156-Q158 HydrophobicContact CB-CB 4.47Å; L156-Q158 PolarHBondContact O-N 3.35Å; Q158-F160 HydrophobicContact CB-CD2 4.43Å; Q158-F160 HydrophobicContact CB-CE2 4.15Å
159P96.8Very high93.9Very high81 Ų8151.4 Ų51.453%0.52628%0.281SS..EExtended strand (participates in β ladder)trans-71.3130.4179.328.4-34.4000111.9
160F98Very high93.7Very high2 Ų254.4 Ų54.41%0.00929%0.291CS..EExtended strand (participates in β ladder)trans-134.9155.1173.6-83.5-111.7000109.1E97 H99 Y112 R114 Q150 Q151 H153 L156 Q158E97-F160 HydrophobicContact CG-CE1 4.39Å; H99-F160 AromaticContact CE1-CE1 3.75Å; H99-F160 AromaticContact CE1-CZ 3.48Å; H99-F160 VanDerWaalsContact CE1-CZ 3.48Å; H99-F160 WeakPolarHBondContact CE1-CZ 3.42Å; H99-F160 AromaticContact ND1-CE1 3.67Å; H99-F160 AromaticContact ND1-CZ 3.68Å; Y112-F160 HydrophobicContact CD1-CB 3.95Å; R114-F160 HydrophobicContact CB-CD1 4.22Å; R114-F160 HydrophobicContact CB-CE1 4.44Å; R114-F160 HydrophobicContact CG-CD1 4.04Å; R114-F160 HydrophobicContact CG-CE1 3.76Å; R114-F160 HydrophobicContact CG-CZ 4.11Å; R114-F160 VanDerWaalsContact CZ-CZ 3.49Å; Q150-F160 WeakPolarHBondContact CA-O 3.4Å; Q151-F160 PolarHBondContact N-O 2.9Å; Q151-F160 PolarHBondContact O-N 2.9Å; Q151-F160 VanDerWaalsContact O-O 3.09Å; H153-F160 HydrophobicContact CB-CD2 3.69Å; H153-F160 HydrophobicContact CB-CE2 4.04Å; H153-F160 HydrophobicContact CB-CG 4.37Å; L156-F160 HydrophobicContact CD1-CE2 4.36Å; L156-F160 HydrophobicContact CD1-CZ 4.36Å; Q158-F160 HydrophobicContact CB-CD2 4.43Å; Q158-F160 HydrophobicContact CB-CE2 4.15Å
161F97.6Very high93.4Very high29 Ų2949.4 Ų49.413%0.12727%0.267CS..EExtended strand (participates in β ladder)trans-76.4142.5161.4-62.2-66.4000109.4Y112 F113 L125 I128 I148 T149 Q150Y112-F161 CarbonylContact C-O 3.54Å; Y112-F161 WeakPolarHBondContact CA-O 3.37Å; F113-F161 HydrophobicContact CD1-CB 3.88Å; F113-F161 WeakPolarHBondContact CD1-O 3.35Å; F113-F161 HydrophobicContact CD2-CB 4.1Å; F113-F161 HydrophobicContact CD2-CD2 4.34Å; F113-F161 HydrophobicContact CE1-CB 3.43Å; F113-F161 VanDerWaalsContact CE1-CB 3.43Å; F113-F161 HydrophobicContact CE2-CB 3.69Å; F113-F161 AromaticContact CE2-CD2 3.96Å; F113-F161 HydrophobicContact CE2-CD2 3.96Å; F113-F161 HydrophobicContact CE2-CG 4.13Å; F113-F161 HydrophobicContact CG-CB 4.19Å; F113-F161 HydrophobicContact CZ-CB 3.33Å; F113-F161 HydrophobicContact CZ-CD2 4.38Å; F113-F161 HydrophobicContact CZ-CG 4.08Å; F113-F161 PolarHBondContact N-O 2.84Å; F113-F161 WeakPolarHBondContact O-CB 3.06Å; F113-F161 PolarHBondContact O-N 3.05Å; L125-F161 HydrophobicContact CB-CD1 4.4Å; L125-F161 HydrophobicContact CB-CE1 3.98Å; L125-F161 HydrophobicContact CB-CZ 4.11Å; I128-F161 HydrophobicContact CD1-CD2 4.1Å; I128-F161 HydrophobicContact CD1-CE2 4.05Å; I148-F161 HydrophobicContact CG2-CB 4.31Å; T149-F161 CarbonylContact O-C 3.51Å; T149-F161 VanDerWaalsContact O-CA 3.31Å; T149-F161 WeakPolarHBondContact O-CA 3.21Å; Q150-F161 HydrophobicContact CB-CD1 4.27Å; Q150-F161 HydrophobicContact CB-CE1 4.39Å
162V96.2Very high93.3Very high1 Ų146 Ų461%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-135.8123.5-174.3-173.60000109V110 L111 Y112 I148 T149 Q151 H164V110-V162 HydrophobicContact CG1-CG1 3.6Å; L111-V162 WeakPolarHBondContact O-CA 3.49Å; Y112-V162 HydrophobicContact CD1-CG2 3.37Å; Y112-V162 HydrophobicContact CD2-CG1 4.43Å; Y112-V162 HydrophobicContact CD2-CG2 4.5Å; Y112-V162 HydrophobicContact CE1-CB 4.5Å; Y112-V162 HydrophobicContact CE1-CG1 4.32Å; Y112-V162 HydrophobicContact CE1-CG2 3.34Å; Y112-V162 HydrophobicContact CE2-CG1 4.14Å; Y112-V162 HydrophobicContact CE2-CG2 4.49Å; Y112-V162 HydrophobicContact CG-CG2 3.96Å; I148-V162 WeakPolarHBondContact CA-O 3.31Å; T149-V162 PolarHBondContact N-O 3.46Å; T149-V162 PolarHBondContact O-N 3.19Å; Q151-V162 HydrophobicContact CB-CG2 3.82Å; Q151-V162 HydrophobicContact CG-CB 4.3Å; Q151-V162 HydrophobicContact CG-CG2 4.12Å; V162-H164 PolarHBondContact O-N 3.4Å
163L91.1Very high93Very high8 Ų839.8 Ų39.84%0.04222%0.223CC..EExtended strand (participates in β ladder)trans-73.1116.8163.4175.968.8000108.4L111 W145 I148 V196L111-L163 PolarHBondContact O-N 3.4Å; W145-L163 HydrophobicContact CE3-CD1 3.71Å; W145-L163 HydrophobicContact CE3-CD2 4.16Å; W145-L163 HydrophobicContact CZ3-CD1 4.04Å; W145-L163 HydrophobicContact CZ3-CD2 3.63Å; W145-L163 HydrophobicContact CZ3-CG 4.49Å; I148-L163 HydrophobicContact CG1-CB 4.34Å; I148-L163 HydrophobicContact CG1-CD1 3.85Å; L163-V196 HydrophobicContact CD2-CB 3.87Å; L163-V196 HydrophobicContact CD2-CG1 3.59Å
164H90.8Very high92.8Very high55 Ų5543.5 Ų43.526%0.25525%0.247SC..  trans-65.7130.3-175.4-165.7-90.8000111.9Y106 T147 V162 C166Y106-H164 AromaticContact CZ-CE1 3.89Å; Y106-H164 PolarHBondContact OH-CE1 3.13Å; T147-H164 WeakPolarHBondContact O-CB 3.46Å; T147-H164 PolarHBondContact O-N 2.88Å; V162-H164 PolarHBondContact O-N 3.4Å; H164-C166 VanDerWaalsContact C-N 3.25Å; H164-C166 WeakPolarHBondContact ND1-CB 3.42Å; H164-C166 PolarHBondContact ND1-N 2.87Å; H164-C166 PolarHBondContact ND1-SG 3.28Å; H164-C166 PolarHBondContact O-N 3.5Å; H164-C166 VanDerWaalsContact O-N 3.13Å
165P92.2Very high92.6Very high12 Ų1241.4 Ų41.48%0.07823%0.233CC..G310 helixtrans-67-18.4-170.522.4-33.6000115.5Y106 V108 V110 K167 T168Y106-P165 HydrophobicContact CD2-CB 4.07Å; Y106-P165 HydrophobicContact CD2-CG 3.46Å; Y106-P165 VanDerWaalsContact CD2-CG 3.46Å; Y106-P165 HydrophobicContact CE2-CG 3.87Å; Y106-P165 HydrophobicContact CG-CB 3.98Å; Y106-P165 HydrophobicContact CG-CG 3.89Å; V108-P165 HydrophobicContact CG2-CB 3.57Å; V110-P165 HydrophobicContact CG2-CB 4.06Å; V110-P165 HydrophobicContact CG2-CG 4.2Å; P165-K167 PolarHBondContact O-N 3.21Å; P165-T168 WeakPolarHBondContact O-CB 3.3Å; P165-T168 PolarHBondContact O-N 3.42Å; P165-T168 PolarHBondContact O-OG1 2.97Å
166C90.1Very high92.4Very high63 Ų6340.1 Ų40.143%0.42623%0.226SC..G310 helixtrans-58.6-20.4-171.469.30000115Y106 H164Y106-C166 HydrophobicContact CD1-CB 4.33Å; Y106-C166 HydrophobicContact CE1-CB 3.65Å; H164-C166 VanDerWaalsContact C-N 3.25Å; H164-C166 WeakPolarHBondContact ND1-CB 3.42Å; H164-C166 PolarHBondContact ND1-N 2.87Å; H164-C166 PolarHBondContact ND1-SG 3.28Å; H164-C166 PolarHBondContact O-N 3.5Å; H164-C166 VanDerWaalsContact O-N 3.13Å
167K90.3Very high92.1Very high76 Ų7641.8 Ų41.833%0.3323%0.231SC..G310 helixtrans-100.8-1.8177.8-67.8-55.6-157.4163.50114.6P144 T147 P165 N169 E170 F171P144-K167 HydrophobicContact CB-CB 3.44Å; P144-K167 VanDerWaalsContact CB-CB 3.44Å; P144-K167 HydrophobicContact CB-CG 3.95Å; T147-K167 HydrophobicContact CG2-CG 4.11Å; P165-K167 PolarHBondContact O-N 3.21Å; K167-N169 PolarHBondContact O-N 3.29Å; K167-E170 WeakPolarHBondContact CD-OE2 3.33Å; K167-E170 WeakPolarHBondContact CE-OE2 3.4Å; K167-E170 IonicContact NZ-OE2 3.21Å; K167-E170 PolarHBondContact NZ-OE2 3.48Å; K167-E170 VanDerWaalsContact O-CB 3.31Å; K167-E170 WeakPolarHBondContact O-CB 3.44Å; K167-E170 PolarHBondContact O-N 2.93Å; K167-E170 VanDerWaalsContact O-N 3.16Å; K167-F171 VanDerWaalsContact O-CD1 3.3Å; K167-F171 WeakPolarHBondContact O-CD1 3.15Å; K167-F171 WeakPolarHBondContact O-CE1 3.43Å
168T92.3Very high91.8Very high2 Ų244 Ų441%0.01223%0.232CC..Hα-helixtrans-58.3-44.1-175.8-570000113V108 P165 E170 F171 M172V108-T168 HydrophobicContact CB-CG2 3.87Å; V108-T168 HydrophobicContact CG1-CG2 3.91Å; V108-T168 HydrophobicContact CG2-CG2 4.36Å; P165-T168 WeakPolarHBondContact O-CB 3.3Å; P165-T168 PolarHBondContact O-N 3.42Å; P165-T168 PolarHBondContact O-OG1 2.97Å; T168-E170 VanDerWaalsContact C-N 3.29Å; T168-E170 PolarHBondContact O-N 3.41Å; T168-F171 HydrophobicContact CG2-CE2 4.43Å; T168-F171 HydrophobicContact CG2-CZ 4.17Å; T168-F171 PolarHBondContact O-N 2.77Å; T168-M172 HydrophobicContact CG2-CG 3.89Å; T168-M172 WeakPolarHBondContact O-CB 3.49Å; T168-M172 WeakPolarHBondContact O-CG 3.38Å; T168-M172 PolarHBondContact O-N 3.13Å
169N90.4Very high91.3Very high29 Ų2940.9 Ų40.916%0.15522%0.219CC..Hα-helixtrans-68.8-26.5-179-73.75.2000113.3E5 F6 V108 K167 F171 M172 A173E5-N169 PolarHBondContact O-ND2 3.49Å; E5-N169 PolarHBondContact O-OD1 3.11Å; F6-N169 VanDerWaalsContact CD1-ND2 3.26Å; F6-N169 WeakPolarHBondContact CD1-ND2 3.34Å; F6-N169 WeakPolarHBondContact CE1-ND2 3.37Å; V108-N169 WeakPolarHBondContact CG1-OD1 3.49Å; K167-N169 PolarHBondContact O-N 3.29Å; N169-F171 PolarHBondContact O-N 3.4Å; N169-M172 PolarHBondContact O-N 2.7Å; N169-A173 VanDerWaalsContact O-CB 3.23Å; N169-A173 WeakPolarHBondContact O-CB 3.28Å; N169-A173 PolarHBondContact O-N 3.23Å
170E90.3Very high90.8Very high122 Ų12241.2 Ų41.257%0.5721%0.21SC*.Hα-helixtrans-58.6-36.5178.8-164.8177.5126.100111.5K167 T168K167-E170 WeakPolarHBondContact CD-OE2 3.33Å; K167-E170 WeakPolarHBondContact CE-OE2 3.4Å; K167-E170 IonicContact NZ-OE2 3.21Å; K167-E170 PolarHBondContact NZ-OE2 3.48Å; K167-E170 VanDerWaalsContact O-CB 3.31Å; K167-E170 WeakPolarHBondContact O-CB 3.44Å; K167-E170 PolarHBondContact O-N 2.93Å; K167-E170 VanDerWaalsContact O-N 3.16Å; T168-E170 VanDerWaalsContact C-N 3.29Å; T168-E170 PolarHBondContact O-N 3.41Å
171F89.7Confident90.1Very high27 Ų2749.3 Ų49.312%0.11825%0.245CC..Hα-helixtrans-101.4-24.4175.962-98.6000114.7P144 W145 K167 T168 N169 V175 W192 I195 V196P144-F171 HydrophobicContact CG-CD1 3.94Å; P144-F171 HydrophobicContact CG-CE1 3.93Å; W145-F171 HydrophobicContact CH2-CE1 4.46Å; W145-F171 HydrophobicContact CH2-CZ 4.47Å; K167-F171 VanDerWaalsContact O-CD1 3.3Å; K167-F171 WeakPolarHBondContact O-CD1 3.15Å; K167-F171 WeakPolarHBondContact O-CE1 3.43Å; T168-F171 HydrophobicContact CG2-CE2 4.43Å; T168-F171 HydrophobicContact CG2-CZ 4.17Å; T168-F171 PolarHBondContact O-N 2.77Å; N169-F171 PolarHBondContact O-N 3.4Å; F171-V175 WeakPolarHBondContact O-CG2 3.31Å; F171-W192 AromaticContact CE2-CD1 3.75Å; F171-I195 HydrophobicContact CD2-CB 4.26Å; F171-I195 HydrophobicContact CD2-CD1 3.99Å; F171-I195 HydrophobicContact CD2-CG2 3.71Å; F171-I195 HydrophobicContact CE2-CB 4.3Å; F171-I195 HydrophobicContact CE2-CG2 3.99Å; F171-I195 HydrophobicContact CG-CG2 4.26Å; F171-V196 HydrophobicContact CE2-CG1 3.8Å; F171-V196 HydrophobicContact CZ-CG1 3.49Å; F171-V196 VanDerWaalsContact CZ-CG1 3.49Å
172M92.6Very high89.5Confident0 Ų052.6 Ų52.60%026%0.263CS..Hα-helixtrans-83.2-34.3179.4-71.8-56-61.600114.4T168 N169 V175 L176 Y188 W192 I195T168-M172 HydrophobicContact CG2-CG 3.89Å; T168-M172 WeakPolarHBondContact O-CB 3.49Å; T168-M172 WeakPolarHBondContact O-CG 3.38Å; T168-M172 PolarHBondContact O-N 3.13Å; N169-M172 PolarHBondContact O-N 2.7Å; M172-V175 WeakPolarHBondContact O-CB 3.48Å; M172-V175 PolarHBondContact O-N 3.04Å; M172-V175 VanDerWaalsContact O-N 3.09Å; M172-L176 PolarHBondContact O-N 3.43Å; M172-Y188 HydrophobicContact CB-CE2 4.37Å; M172-Y188 HydrophobicContact CE-CD1 3.92Å; M172-Y188 HydrophobicContact CE-CD2 3.99Å; M172-Y188 HydrophobicContact CE-CE1 3.75Å; M172-Y188 HydrophobicContact CE-CE2 3.87Å; M172-Y188 HydrophobicContact CE-CG 4.03Å; M172-Y188 HydrophobicContact CG-CE1 4.22Å; M172-W192 HydrophobicContact CE-CB 3.99Å; M172-W192 HydrophobicContact SD-CB 3.76Å; M172-W192 HydrophobicContact SD-CG 4.41Å; M172-I195 HydrophobicContact SD-CD1 3.97Å
173A91Very high88.7Confident5 Ų560 Ų604%0.04130%0.303CS..Hα-helixtrans-60.5-40.8-179.600000113.1E5 N169 V175 L176 K177E5-A173 HydrophobicContact CB-CB 4.47Å; E5-A173 HydrophobicContact CG-CB 4.44Å; N169-A173 VanDerWaalsContact O-CB 3.23Å; N169-A173 WeakPolarHBondContact O-CB 3.28Å; N169-A173 PolarHBondContact O-N 3.23Å; A173-V175 VanDerWaalsContact C-N 3.34Å; A173-V175 PolarHBondContact O-N 3.1Å; A173-L176 PolarHBondContact O-N 3.07Å; A173-K177 WeakPolarHBondContact O-CB 3.47Å; A173-K177 VanDerWaalsContact O-CG 3.24Å; A173-K177 WeakPolarHBondContact O-CG 3.39Å; A173-K177 PolarHBondContact O-N 3.21Å
174P90.7Very high88.2Confident77 Ų7763.9 Ų63.950%0.532%0.319SS..Hα-helixtrans-61.2-37.7172.1-24.335.3000113.6K177 N178P174-K177 PolarHBondContact O-N 3.4Å; P174-N178 WeakPolarHBondContact O-CB 3.41Å; P174-N178 PolarHBondContact O-N 3.49Å
175V89.6Confident87.7Confident46 Ų4665.7 Ų65.728%0.27933%0.331SS..Hα-helixtrans-64.6-47.1178.7177.50000110.5F171 M172 A173 N178 S179 I195F171-V175 WeakPolarHBondContact O-CG2 3.31Å; M172-V175 WeakPolarHBondContact O-CB 3.48Å; M172-V175 PolarHBondContact O-N 3.04Å; M172-V175 VanDerWaalsContact O-N 3.09Å; A173-V175 VanDerWaalsContact C-N 3.34Å; A173-V175 PolarHBondContact O-N 3.1Å; V175-N178 PolarHBondContact O-N 3.28Å; V175-S179 PolarHBondContact O-N 3.3Å; V175-S179 PolarHBondContact O-OG 3.04Å; V175-I195 HydrophobicContact CG2-CD1 3.97Å
176L87.5Confident87.3Confident21 Ų2166.5 Ų66.511%0.1134%0.335CS..Hα-helixtrans-68-32.6176.9-64.6-176.4000113.3M172 A173 N178 S179 R180 Y188M172-L176 PolarHBondContact O-N 3.43Å; A173-L176 PolarHBondContact O-N 3.07Å; L176-N178 VanDerWaalsContact C-N 3.33Å; L176-S179 WeakPolarHBondContact CA-OG 3.29Å; L176-S179 PolarHBondContact O-OG 2.96Å; L176-S179 VanDerWaalsContact O-OG 3.09Å; L176-R180 WeakPolarHBondContact O-CG 3.49Å; L176-R180 PolarHBondContact O-N 3.3Å; L176-R180 PolarHBondContact O-NE 3.02Å; L176-Y188 HydrophobicContact CD1-CD2 4.04Å; L176-Y188 HydrophobicContact CD1-CE2 3.84Å; L176-Y188 HydrophobicContact CD2-CD2 4.02Å; L176-Y188 HydrophobicContact CG-CD2 4.41Å; L176-Y188 HydrophobicContact CG-CE2 4.43Å
177K88Confident87.4Confident96 Ų9664.2 Ų64.242%0.41732%0.318SS..Hα-helixtrans-69.4-34.5173.4-73.8167.8-174.21730111E5 A173 P174 K181E5-K177 VanDerWaalsContact OE1-CE 3.25Å; E5-K177 WeakPolarHBondContact OE1-CE 3.36Å; E5-K177 IonicContact OE1-NZ 2.6Å; E5-K177 PolarHBondContact OE1-NZ 3.13Å; A173-K177 WeakPolarHBondContact O-CB 3.47Å; A173-K177 VanDerWaalsContact O-CG 3.24Å; A173-K177 WeakPolarHBondContact O-CG 3.39Å; A173-K177 PolarHBondContact O-N 3.21Å; P174-K177 PolarHBondContact O-N 3.4Å; K177-K181 VanDerWaalsContact O-CG 3.31Å; K177-K181 WeakPolarHBondContact O-CG 3.36Å; K177-K181 PolarHBondContact O-N 3.05Å
178N87.3Confident87.5Confident92 Ų9260.6 Ų60.649%0.49230%0.303SS..Hα-helixtrans-73.6-44.3176.2-168.957.8000112.7P174 V175 L176 R180 K181 I182P174-N178 WeakPolarHBondContact O-CB 3.41Å; P174-N178 PolarHBondContact O-N 3.49Å; V175-N178 PolarHBondContact O-N 3.28Å; L176-N178 VanDerWaalsContact C-N 3.33Å; N178-R180 VanDerWaalsContact C-N 3.34Å; N178-R180 PolarHBondContact O-N 3.02Å; N178-K181 WeakPolarHBondContact O-CB 3.41Å; N178-K181 PolarHBondContact O-N 2.67Å; N178-K181 VanDerWaalsContact O-N 3.14Å; N178-I182 WeakPolarHBondContact O-CG1 3.48Å; N178-I182 PolarHBondContact O-N 3.12Å; N178-I182 VanDerWaalsContact O-N 3.14Å
179S85.7Confident87.7Confident15 Ų1560.5 Ų60.511%0.10530%0.302CS..Hα-helixtrans-59.5-43179.9620000112.5V175 L176 I182 N183 K184 V186V175-S179 PolarHBondContact O-N 3.3Å; V175-S179 PolarHBondContact O-OG 3.04Å; L176-S179 WeakPolarHBondContact CA-OG 3.29Å; L176-S179 PolarHBondContact O-OG 2.96Å; L176-S179 VanDerWaalsContact O-OG 3.09Å; S179-I182 WeakPolarHBondContact O-CG1 3.32Å; S179-I182 PolarHBondContact O-N 2.97Å; S179-N183 PolarHBondContact O-N 2.72Å; S179-N183 VanDerWaalsContact O-N 3.14Å; S179-K184 WeakPolarHBondContact CB-O 3.48Å; S179-K184 PolarHBondContact O-N 3.5Å; S179-V186 VanDerWaalsContact CB-CG2 3.5Å
180R84.8Confident87.9Confident88 Ų8859.8 Ų59.833%0.33230%0.299SS..Hα-helixtrans-55.8-51.3170.4-79.2176.9-86.7-158.8-12.1112.1E3 L176 N178 I182 N183E3-R180 IonicContact OE2-CZ 3.55Å; E3-R180 IonicContact OE2-NE 3.84Å; E3-R180 IonicContact OE2-NH1 2.67Å; E3-R180 PolarHBondContact OE2-NH1 2.87Å; L176-R180 WeakPolarHBondContact O-CG 3.49Å; L176-R180 PolarHBondContact O-N 3.3Å; L176-R180 PolarHBondContact O-NE 3.02Å; N178-R180 VanDerWaalsContact C-N 3.34Å; N178-R180 PolarHBondContact O-N 3.02Å; R180-I182 VanDerWaalsContact C-N 3.25Å; R180-I182 PolarHBondContact O-N 2.9Å; R180-N183 PolarHBondContact O-N 3.19Å; R180-N183 VanDerWaalsContact O-N 3.07Å; R180-N183 PolarHBondContact O-OD1 3.19Å
181K84.4Confident88.1Confident172 Ų17255 Ų5575%0.74828%0.279SS*.Hα-helixtrans-58.5-32.6-179.7-77175.2179.6-1750114.2K177 N178K177-K181 VanDerWaalsContact O-CG 3.31Å; K177-K181 WeakPolarHBondContact O-CG 3.36Å; K177-K181 PolarHBondContact O-N 3.05Å; N178-K181 WeakPolarHBondContact O-CB 3.41Å; N178-K181 PolarHBondContact O-N 2.67Å; N178-K181 VanDerWaalsContact O-N 3.14Å
182I85.5Confident88.4Confident98 Ų9853.7 Ų53.750%0.50327%0.273SS..THydrogen-bonded Turntrans-99.110179.869.2175.8000113.2N178 S179 R180 K184N178-I182 WeakPolarHBondContact O-CG1 3.48Å; N178-I182 PolarHBondContact O-N 3.12Å; N178-I182 VanDerWaalsContact O-N 3.14Å; S179-I182 WeakPolarHBondContact O-CG1 3.32Å; S179-I182 PolarHBondContact O-N 2.97Å; R180-I182 VanDerWaalsContact C-N 3.25Å; R180-I182 PolarHBondContact O-N 2.9Å; I182-K184 HydrophobicContact CD1-CB 3.85Å; I182-K184 HydrophobicContact CD1-CD 4.12Å; I182-K184 HydrophobicContact CG1-CB 3.67Å; I182-K184 PolarHBondContact O-N 3.03Å; I182-K184 VanDerWaalsContact O-N 3.12Å
183N78.8Confident88.5Confident157 Ų15753.7 Ų53.784%0.8427%0.273SS*.THydrogen-bonded Turntrans47.536.8-176.3-67.3-36.6000113.9S179 R180S179-N183 PolarHBondContact O-N 2.72Å; S179-N183 VanDerWaalsContact O-N 3.14Å; R180-N183 PolarHBondContact O-N 3.19Å; R180-N183 VanDerWaalsContact O-N 3.07Å; R180-N183 PolarHBondContact O-OD1 3.19Å
184K81.1Confident88.7Confident89 Ų8956.3 Ų56.339%0.38729%0.291SS..  trans-103.2116.5-179.5-173.7-177.2-178-173.90109.7S179 I182 V186S179-K184 WeakPolarHBondContact CB-O 3.48Å; S179-K184 PolarHBondContact O-N 3.5Å; I182-K184 HydrophobicContact CD1-CB 3.85Å; I182-K184 HydrophobicContact CD1-CD 4.12Å; I182-K184 HydrophobicContact CG1-CB 3.67Å; I182-K184 PolarHBondContact O-N 3.03Å; I182-K184 VanDerWaalsContact O-N 3.12Å; K184-V186 HydrophobicContact CD-CG1 4Å; K184-V186 HydrophobicContact CG-CG1 3.97Å; K184-V186 PolarHBondContact O-N 2.9Å
185N78.8Confident88.8Confident93 Ų9354.9 Ų54.950%0.49728%0.278SS..  trans-63.8128.4166.3-165.7-5.6000109.3
186V83.9Confident88.9Confident28 Ų2852.7 Ų52.717%0.1727%0.265CS..  trans-135127.7178.8-63.90000108.7S179 K184 Y188S179-V186 VanDerWaalsContact CB-CG2 3.5Å; K184-V186 HydrophobicContact CD-CG1 4Å; K184-V186 HydrophobicContact CG-CG1 3.97Å; K184-V186 PolarHBondContact O-N 2.9Å; V186-Y188 PolarHBondContact O-N 2.9Å
187N91.8Very high89.2Confident15 Ų1551.7 Ų51.78%0.0826%0.26CS..  trans-65.4124.5172.4-178.2-69.5000109Y15 E18 I189 T190 S191Y15-N187 WeakPolarHBondContact CA-ND2 3.49Å; Y15-N187 HydrophobicContact CD1-CB 4.22Å; Y15-N187 WeakPolarHBondContact CD1-ND2 3.36Å; Y15-N187 PolarHBondContact O-ND2 3.37Å; E18-N187 PolarHBondContact OE2-ND2 3.31Å; N187-I189 VanDerWaalsContact C-N 3.31Å; N187-I189 PolarHBondContact O-N 3.46Å; N187-I189 WeakPolarHBondContact OD1-CA 3.49Å; N187-I189 WeakPolarHBondContact OD1-CB 3.35Å; N187-I189 PolarHBondContact OD1-N 3.43Å; N187-T190 PolarHBondContact O-N 3Å; N187-T190 PolarHBondContact OD1-N 2.67Å; N187-S191 PolarHBondContact O-N 3.09Å; N187-S191 VanDerWaalsContact O-N 3.11Å; N187-S191 PolarHBondContact O-OG 3.39Å
188Y93.6Very high89.4Confident1 Ų147.7 Ų47.70%0.00424%0.244CC..Hα-helixtrans-61.1-42.8-176.9-173.7-68.6000110.7I7 Y15 P109 M172 L176 V186 S191 W192I7-Y188 HydrophobicContact CD1-CD1 3.81Å; I7-Y188 HydrophobicContact CD1-CD2 4.24Å; I7-Y188 HydrophobicContact CD1-CE1 4.03Å; I7-Y188 HydrophobicContact CD1-CE2 4.39Å; I7-Y188 HydrophobicContact CD1-CG 3.94Å; I7-Y188 HydrophobicContact CG1-CE2 4.49Å; I7-Y188 HydrophobicContact CG2-CD2 3.41Å; I7-Y188 VanDerWaalsContact CG2-CD2 3.41Å; I7-Y188 HydrophobicContact CG2-CE2 3.59Å; I7-Y188 HydrophobicContact CG2-CG 4.07Å; Y15-Y188 VanDerWaalsContact CE2-CB 3.5Å; P109-Y188 HydrophobicContact CG-CD1 4.2Å; P109-Y188 HydrophobicContact CG-CE1 3.6Å; M172-Y188 HydrophobicContact CB-CE2 4.37Å; M172-Y188 HydrophobicContact CE-CD1 3.92Å; M172-Y188 HydrophobicContact CE-CD2 3.99Å; M172-Y188 HydrophobicContact CE-CE1 3.75Å; M172-Y188 HydrophobicContact CE-CE2 3.87Å; M172-Y188 HydrophobicContact CE-CG 4.03Å; M172-Y188 HydrophobicContact CG-CE1 4.22Å; L176-Y188 HydrophobicContact CD1-CD2 4.04Å; L176-Y188 HydrophobicContact CD1-CE2 3.84Å; L176-Y188 HydrophobicContact CD2-CD2 4.02Å; L176-Y188 HydrophobicContact CG-CD2 4.41Å; L176-Y188 HydrophobicContact CG-CE2 4.43Å; V186-Y188 PolarHBondContact O-N 2.9Å; Y188-S191 PolarHBondContact O-N 2.81Å; Y188-S191 VanDerWaalsContact O-N 3.14Å; Y188-W192 HydrophobicContact CD1-CB 4.02Å; Y188-W192 HydrophobicContact CE1-CB 3.9Å; Y188-W192 HydrophobicContact CE1-CG 4.23Å; Y188-W192 WeakPolarHBondContact O-CB 3.14Å; Y188-W192 PolarHBondContact O-N 2.86Å
189I95.7Very high89.6Confident0 Ų043.5 Ų43.50%022%0.222CC..Hα-helixtrans-66.1-44.1-176-60.5-64000111F12 F19 M43 P109 N187 S191 W192 L193F12-I189 HydrophobicContact CD2-CD1 3.64Å; F12-I189 HydrophobicContact CE2-CD1 3.66Å; F19-I189 HydrophobicContact CD2-CG2 4.09Å; F19-I189 HydrophobicContact CG-CG2 4.18Å; M43-I189 HydrophobicContact CE-CG2 3.56Å; M43-I189 HydrophobicContact SD-CG2 4.46Å; P109-I189 HydrophobicContact CB-CD1 4.04Å; P109-I189 HydrophobicContact CG-CD1 4.27Å; N187-I189 VanDerWaalsContact C-N 3.31Å; N187-I189 PolarHBondContact O-N 3.46Å; N187-I189 WeakPolarHBondContact OD1-CA 3.49Å; N187-I189 WeakPolarHBondContact OD1-CB 3.35Å; N187-I189 PolarHBondContact OD1-N 3.43Å; I189-S191 VanDerWaalsContact C-N 3.3Å; I189-S191 PolarHBondContact O-N 3.18Å; I189-W192 PolarHBondContact O-N 2.9Å; I189-L193 HydrophobicContact CG2-CD1 3.95Å; I189-L193 HydrophobicContact CG2-CG 4.33Å; I189-L193 VanDerWaalsContact O-CB 3.28Å; I189-L193 WeakPolarHBondContact O-CB 3.34Å; I189-L193 WeakPolarHBondContact O-CG 3.36Å; I189-L193 PolarHBondContact O-N 2.9Å
190T95.3Very high89.9Confident14 Ų1442.9 Ų42.99%0.08622%0.217CC..Hα-helixtrans-53-49.9169.3-66.80000111.3F19 N187 S194 Y208F19-T190 WeakPolarHBondContact CD2-OG1 3.21Å; N187-T190 PolarHBondContact O-N 3Å; N187-T190 PolarHBondContact OD1-N 2.67Å; T190-S194 WeakPolarHBondContact O-CB 3.47Å; T190-S194 PolarHBondContact O-N 2.96Å; T190-S194 PolarHBondContact O-OG 3.36Å; T190-Y208 WeakPolarHBondContact CG2-O 3.47Å
191S94.3Very high90.2Very high20 Ų2039 Ų3914%0.1421%0.205CC..Hα-helixtrans-67-43-173.4-54.90000111.6N187 Y188 I189 S194 I195N187-S191 PolarHBondContact O-N 3.09Å; N187-S191 VanDerWaalsContact O-N 3.11Å; N187-S191 PolarHBondContact O-OG 3.39Å; Y188-S191 PolarHBondContact O-N 2.81Å; Y188-S191 VanDerWaalsContact O-N 3.14Å; I189-S191 VanDerWaalsContact C-N 3.3Å; I189-S191 PolarHBondContact O-N 3.18Å; S191-S194 PolarHBondContact O-N 2.89Å; S191-I195 WeakPolarHBondContact O-CD1 3.3Å; S191-I195 WeakPolarHBondContact O-CG1 3.36Å
192W95.7Very high90.6Very high1 Ų131 Ų310%0.00417%0.17CC..Hα-helixtrans-67.8-49.7177.5172.484.6000111.9V100 P109 L111 F171 M172 Y188 I189 S194 I195 V196V100-W192 HydrophobicContact CB-CZ3 4.32Å; V100-W192 HydrophobicContact CG1-CH2 3.87Å; V100-W192 HydrophobicContact CG1-CZ3 3.53Å; V100-W192 HydrophobicContact CG2-CH2 4.21Å; V100-W192 HydrophobicContact CG2-CZ3 3.8Å; P109-W192 HydrophobicContact CB-CD2 4.01Å; P109-W192 HydrophobicContact CB-CE3 3.97Å; P109-W192 HydrophobicContact CB-CH2 3.85Å; P109-W192 HydrophobicContact CB-CZ2 3.88Å; P109-W192 HydrophobicContact CB-CZ3 3.9Å; P109-W192 HydrophobicContact CG-CB 4.47Å; P109-W192 HydrophobicContact CG-CD2 3.47Å; P109-W192 VanDerWaalsContact CG-CD2 3.47Å; P109-W192 HydrophobicContact CG-CE3 3.87Å; P109-W192 HydrophobicContact CG-CG 3.75Å; P109-W192 HydrophobicContact CG-CH2 4.34Å; P109-W192 HydrophobicContact CG-CZ2 3.99Å; P109-W192 HydrophobicContact CG-CZ3 4.29Å; L111-W192 HydrophobicContact CB-CH2 3.65Å; L111-W192 HydrophobicContact CB-CZ2 3.99Å; F171-W192 AromaticContact CE2-CD1 3.75Å; M172-W192 HydrophobicContact CE-CB 3.99Å; M172-W192 HydrophobicContact SD-CB 3.76Å; M172-W192 HydrophobicContact SD-CG 4.41Å; Y188-W192 HydrophobicContact CD1-CB 4.02Å; Y188-W192 HydrophobicContact CE1-CB 3.9Å; Y188-W192 HydrophobicContact CE1-CG 4.23Å; Y188-W192 WeakPolarHBondContact O-CB 3.14Å; Y188-W192 PolarHBondContact O-N 2.86Å; I189-W192 PolarHBondContact O-N 2.9Å; W192-S194 PolarHBondContact O-N 3.35Å; W192-I195 WeakPolarHBondContact O-CA 3.25Å; W192-I195 PolarHBondContact O-N 2.59Å; W192-V196 HydrophobicContact CD2-CG1 4.39Å; W192-V196 HydrophobicContact CD2-CG2 3.88Å; W192-V196 HydrophobicContact CE3-CG2 4.11Å; W192-V196 HydrophobicContact CG-CG1 4.41Å; W192-V196 HydrophobicContact CH2-CG2 4.1Å; W192-V196 HydrophobicContact CZ2-CG1 4.49Å; W192-V196 HydrophobicContact CZ2-CG2 3.87Å; W192-V196 HydrophobicContact CZ3-CG2 4.2Å; W192-V196 WeakPolarHBondContact O-CG2 3.19Å; W192-V196 PolarHBondContact O-N 3.44Å
193L95.9Very high90.9Very high0 Ų031.5 Ų31.50%017%0.174CC..Hα-helixtrans-61-31.6175.9-78.8179.6000112.7F19 W30 M43 V100 L111 I189 I195 V196 G197 L202 L204F19-L193 HydrophobicContact CE1-CD1 4.17Å; F19-L193 HydrophobicContact CE2-CD1 3.91Å; F19-L193 HydrophobicContact CZ-CD1 3.58Å; W30-L193 HydrophobicContact CH2-CD1 3.86Å; W30-L193 HydrophobicContact CH2-CD2 4.34Å; W30-L193 HydrophobicContact CZ2-CD1 3.8Å; M43-L193 HydrophobicContact CE-CD1 3.84Å; V100-L193 HydrophobicContact CG2-CD2 4.06Å; L111-L193 HydrophobicContact CD1-CD2 4.45Å; I189-L193 HydrophobicContact CG2-CD1 3.95Å; I189-L193 HydrophobicContact CG2-CG 4.33Å; I189-L193 VanDerWaalsContact O-CB 3.28Å; I189-L193 WeakPolarHBondContact O-CB 3.34Å; I189-L193 WeakPolarHBondContact O-CG 3.36Å; I189-L193 PolarHBondContact O-N 2.9Å; L193-I195 PolarHBondContact O-N 3.15Å; L193-V196 HydrophobicContact CD2-CG2 4.21Å; L193-G197 VanDerWaalsContact O-CA 3.31Å; L193-G197 WeakPolarHBondContact O-CA 3.45Å; L193-G197 PolarHBondContact O-N 3.36Å; L193-L202 HydrophobicContact CD2-CD2 3.91Å; L193-L204 HydrophobicContact CB-CD1 3.6Å; L193-L204 HydrophobicContact CB-CG 4.25Å; L193-L204 HydrophobicContact CD1-CD1 4.46Å; L193-L204 HydrophobicContact CD1-CD2 4.48Å
194S94.3Very high91.7Very high60 Ų6025.5 Ų25.542%0.4214%0.142SC..Hα-helixtrans-65.5-20.5173.7-59.50000113.3T190 S191 W192T190-S194 WeakPolarHBondContact O-CB 3.47Å; T190-S194 PolarHBondContact O-N 2.96Å; T190-S194 PolarHBondContact O-OG 3.36Å; S191-S194 PolarHBondContact O-N 2.89Å; W192-S194 PolarHBondContact O-N 3.35Å
195I92.1Very high92.3Very high46 Ų4623.6 Ų23.624%0.23614%0.138CC..Hα-helixtrans-98.4-44.7179.1-59.3166000110.7W145 F171 M172 V175 S191 W192 L193W145-I195 HydrophobicContact CH2-CG2 4.01Å; W145-I195 WeakPolarHBondContact CH2-O 3.42Å; W145-I195 HydrophobicContact CZ2-CG2 4.15Å; F171-I195 HydrophobicContact CD2-CB 4.26Å; F171-I195 HydrophobicContact CD2-CD1 3.99Å; F171-I195 HydrophobicContact CD2-CG2 3.71Å; F171-I195 HydrophobicContact CE2-CB 4.3Å; F171-I195 HydrophobicContact CE2-CG2 3.99Å; F171-I195 HydrophobicContact CG-CG2 4.26Å; M172-I195 HydrophobicContact SD-CD1 3.97Å; V175-I195 HydrophobicContact CG2-CD1 3.97Å; S191-I195 WeakPolarHBondContact O-CD1 3.3Å; S191-I195 WeakPolarHBondContact O-CG1 3.36Å; W192-I195 WeakPolarHBondContact O-CA 3.25Å; W192-I195 PolarHBondContact O-N 2.59Å; L193-I195 PolarHBondContact O-N 3.15Å
196V93Very high92.9Very high1 Ų126.6 Ų26.61%0.00615%0.154CC..Hα-helixtrans-88.5-20.9-176.1-50.80000114.5L111 W145 L163 F171 W192 L193 V199L111-V196 HydrophobicContact CD2-CG2 3.97Å; W145-V196 HydrophobicContact CH2-CB 4.22Å; W145-V196 HydrophobicContact CH2-CG1 3.89Å; W145-V196 HydrophobicContact CZ3-CB 4.06Å; W145-V196 HydrophobicContact CZ3-CG1 3.85Å; L163-V196 HydrophobicContact CD2-CB 3.87Å; L163-V196 HydrophobicContact CD2-CG1 3.59Å; F171-V196 HydrophobicContact CE2-CG1 3.8Å; F171-V196 HydrophobicContact CZ-CG1 3.49Å; F171-V196 VanDerWaalsContact CZ-CG1 3.49Å; W192-V196 HydrophobicContact CD2-CG1 4.39Å; W192-V196 HydrophobicContact CD2-CG2 3.88Å; W192-V196 HydrophobicContact CE3-CG2 4.11Å; W192-V196 HydrophobicContact CG-CG1 4.41Å; W192-V196 HydrophobicContact CH2-CG2 4.1Å; W192-V196 HydrophobicContact CZ2-CG1 4.49Å; W192-V196 HydrophobicContact CZ2-CG2 3.87Å; W192-V196 HydrophobicContact CZ3-CG2 4.2Å; W192-V196 WeakPolarHBondContact O-CG2 3.19Å; W192-V196 PolarHBondContact O-N 3.44Å; L193-V196 HydrophobicContact CD2-CG2 4.21Å; V196-V199 WeakPolarHBondContact O-CG2 3.5Å
197G93.8Very high93.3Very high0 Ų026.6 Ų26.60%016%0.155CC..SBendtrans-69.6-50.9-175.500000114.1L193 V199 V200 G201 L202L193-G197 VanDerWaalsContact O-CA 3.31Å; L193-G197 WeakPolarHBondContact O-CA 3.45Å; L193-G197 PolarHBondContact O-N 3.36Å; G197-V199 PolarHBondContact O-N 3.09Å; G197-V199 VanDerWaalsContact O-N 3.1Å; G197-V200 WeakPolarHBondContact O-CG2 3.19Å; G197-V200 PolarHBondContact O-N 3.23Å; G197-G201 PolarHBondContact O-N 3Å; G197-L202 CarbonylContact C-O 3.5Å; G197-L202 VanDerWaalsContact CA-O 3.27Å; G197-L202 WeakPolarHBondContact CA-O 3.42Å; G197-L202 WeakPolarHBondContact O-CB 3.46Å; G197-L202 PolarHBondContact O-N 2.89Å
198P92.2Very high93.3Very high12 Ų1226.5 Ų26.58%0.07815%0.154CC..G310 helixtrans-60.9-29.1-170.9-28.736.2000114.2V132 Y136 V200 G201 L202V132-P198 WeakPolarHBondContact CG1-O 3.46Å; Y136-P198 HydrophobicContact CD1-CB 4.23Å; Y136-P198 HydrophobicContact CD2-CB 4.11Å; Y136-P198 HydrophobicContact CE1-CB 3.72Å; Y136-P198 HydrophobicContact CE1-CG 4.36Å; Y136-P198 HydrophobicContact CE2-CB 3.58Å; Y136-P198 HydrophobicContact CG-CB 4.42Å; P198-V200 PolarHBondContact O-N 3.21Å; P198-G201 PolarHBondContact O-N 3.23Å; P198-L202 VanDerWaalsContact N-O 3.1Å
199V89.9Confident92.8Very high3 Ų329.2 Ų29.22%0.01818%0.176CC..G310 helixtrans-71.4-8.6177.3-66.80000114.5W129 Y136 L140 W145 V196 G197W129-V199 PolarHBondContact NE1-O 3.42Å; Y136-V199 HydrophobicContact CD1-CG1 4.38Å; L140-V199 HydrophobicContact CD2-CB 3.45Å; L140-V199 VanDerWaalsContact CD2-CB 3.45Å; L140-V199 HydrophobicContact CD2-CG1 3.57Å; W145-V199 HydrophobicContact CD2-CB 4.35Å; W145-V199 HydrophobicContact CD2-CG1 4.04Å; W145-V199 HydrophobicContact CD2-CG2 3.86Å; W145-V199 HydrophobicContact CE3-CG2 3.73Å; W145-V199 HydrophobicContact CG-CG1 4.15Å; W145-V199 HydrophobicContact CG-CG2 4.45Å; W145-V199 HydrophobicContact CH2-CG2 4.32Å; W145-V199 HydrophobicContact CZ2-CG1 4.37Å; W145-V199 HydrophobicContact CZ2-CG2 4.43Å; W145-V199 HydrophobicContact CZ3-CG2 3.96Å; V196-V199 WeakPolarHBondContact O-CG2 3.5Å; G197-V199 PolarHBondContact O-N 3.09Å; G197-V199 VanDerWaalsContact O-N 3.1Å
200V92Very high91.9Very high2 Ų236.5 Ų36.51%0.01221%0.208CC..G310 helixtrans-124.517.3175.5-58.90000112.8Y98 L111 F113 I148 G197 P198 L202Y98-V200 HydrophobicContact CD1-CG2 4.4Å; Y98-V200 HydrophobicContact CE1-CB 4.49Å; Y98-V200 HydrophobicContact CE1-CG2 3.83Å; Y98-V200 PolarHBondContact OH-O 3.39Å; L111-V200 HydrophobicContact CD2-CG2 3.72Å; F113-V200 HydrophobicContact CD1-CB 4.44Å; F113-V200 HydrophobicContact CD1-CG1 4.03Å; F113-V200 HydrophobicContact CD2-CB 3.98Å; F113-V200 HydrophobicContact CD2-CG1 4.17Å; F113-V200 HydrophobicContact CE1-CB 4.34Å; F113-V200 HydrophobicContact CE1-CG1 3.53Å; F113-V200 HydrophobicContact CE2-CB 3.86Å; F113-V200 HydrophobicContact CE2-CG1 3.68Å; F113-V200 HydrophobicContact CG-CB 4.27Å; F113-V200 HydrophobicContact CG-CG1 4.33Å; F113-V200 HydrophobicContact CZ-CB 4.05Å; F113-V200 HydrophobicContact CZ-CG1 3.33Å; I148-V200 HydrophobicContact CD1-CG1 4.18Å; G197-V200 WeakPolarHBondContact O-CG2 3.19Å; G197-V200 PolarHBondContact O-N 3.23Å; P198-V200 PolarHBondContact O-N 3.21Å; V200-L202 HydrophobicContact CG2-CB 4.3Å
201G91.5Very high89.8Confident8 Ų837.8 Ų37.88%0.08222%0.22CC..THydrogen-bonded Turntrans85.3-1179.700000115.2G197 P198 N203G197-G201 PolarHBondContact O-N 3Å; P198-G201 PolarHBondContact O-N 3.23Å; G201-N203 PolarHBondContact O-N 3.43Å; G201-N203 PolarHBondContact O-ND2 3.49Å
202L93.7Very high87.7Confident3 Ų339.7 Ų39.72%0.01623%0.231CC..  trans-88.5108.1-179.1175.861.7000111.4W30 K45 Y98 L193 G197 P198 V200W30-L202 HydrophobicContact CH2-CD2 3.86Å; W30-L202 HydrophobicContact CZ2-CD1 3.96Å; W30-L202 HydrophobicContact CZ2-CD2 3.81Å; W30-L202 HydrophobicContact CZ2-CG 4.45Å; K45-L202 HydrophobicContact CD-CD1 3.85Å; Y98-L202 HydrophobicContact CD1-CB 4.29Å; Y98-L202 HydrophobicContact CD1-CD2 4.19Å; Y98-L202 HydrophobicContact CD2-CD1 4.08Å; Y98-L202 HydrophobicContact CE1-CB 3.79Å; Y98-L202 HydrophobicContact CE2-CB 4.11Å; Y98-L202 HydrophobicContact CE2-CD1 3.97Å; Y98-L202 HydrophobicContact CG-CD2 4.19Å; Y98-L202 PolarHBondContact OH-N 3.21Å; L193-L202 HydrophobicContact CD2-CD2 3.91Å; G197-L202 CarbonylContact C-O 3.5Å; G197-L202 VanDerWaalsContact CA-O 3.27Å; G197-L202 WeakPolarHBondContact CA-O 3.42Å; G197-L202 WeakPolarHBondContact O-CB 3.46Å; G197-L202 PolarHBondContact O-N 2.89Å; P198-L202 VanDerWaalsContact N-O 3.1Å; V200-L202 HydrophobicContact CG2-CB 4.3Å
203N92.6Very high85.1Confident108 Ų10844.9 Ų44.958%0.57827%0.267SS*.  trans-105.4127.6175.8-65.3-76.4000110.4G201G201-N203 PolarHBondContact O-N 3.43Å; G201-N203 PolarHBondContact O-ND2 3.49Å
204L93.9Very high82.3Confident31 Ų3153.1 Ų53.116%0.16231%0.306CS..  trans-88.5133.6175.3-68.7-169.4000111.7F19 W30 L193 Y208F19-L204 HydrophobicContact CE2-CD1 3.92Å; F19-L204 HydrophobicContact CE2-CD2 4.41Å; F19-L204 HydrophobicContact CZ-CD1 4.21Å; F19-L204 HydrophobicContact CZ-CD2 3.86Å; W30-L204 HydrophobicContact CZ2-CD2 4.36Å; L193-L204 HydrophobicContact CB-CD1 3.6Å; L193-L204 HydrophobicContact CB-CG 4.25Å; L193-L204 HydrophobicContact CD1-CD1 4.46Å; L193-L204 HydrophobicContact CD1-CD2 4.48Å; L204-Y208 HydrophobicContact CB-CD2 4.32Å; L204-Y208 HydrophobicContact CD2-CD2 4.5Å; L204-Y208 HydrophobicContact CD2-CE2 4.4Å
205P94.1Very high79.5Confident49 Ų4955.1 Ų55.132%0.31833%0.326SS..  trans-53.5136.8166.2-2834.7000112.8I26 S207 Y208I26-P205 HydrophobicContact CD1-CB 4.08Å; I26-P205 HydrophobicContact CD1-CG 4.04Å; P205-S207 PolarHBondContact O-N 2.83Å; P205-Y208 HydrophobicContact CB-CD2 4.19Å; P205-Y208 HydrophobicContact CG-CD2 4.35Å; P205-Y208 HydrophobicContact CG-CE2 4.25Å; P205-Y208 WeakPolarHBondContact O-CB 3.3Å; P205-Y208 WeakPolarHBondContact O-CD2 3.45Å; P205-Y208 PolarHBondContact O-N 2.6Å; P205-Y208 VanDerWaalsContact O-N 3.07Å
206L91.5Very high76.7Confident157 Ų15765.6 Ų65.682%0.82237%0.374SS*.G310 helixtrans-59.8-16.5179.9-63.7179.1000113.9Y208 A209L206-Y208 PolarHBondContact O-N 2.69Å; L206-A209 WeakPolarHBondContact O-CB 3.42Å; L206-A209 PolarHBondContact O-N 2.85Å; L206-A209 VanDerWaalsContact O-N 3.09Å
207S92.1Very high75.9Confident27 Ų2768.9 Ų68.919%0.18939%0.392CS..G310 helixtrans-61.5-30.6174.9610000112.9H22 I26 P205 A209 K210H22-S207 VanDerWaalsContact NE2-C 3.32Å; H22-S207 VanDerWaalsContact NE2-CB 3.26Å; H22-S207 WeakPolarHBondContact NE2-CB 3.43Å; H22-S207 PolarHBondContact NE2-O 2.86Å; H22-S207 PolarHBondContact NE2-OG 3.4Å; I26-S207 WeakPolarHBondContact CD1-OG 3.24Å; P205-S207 PolarHBondContact O-N 2.83Å; S207-A209 PolarHBondContact O-N 3.29Å; S207-K210 VanDerWaalsContact O-CB 3.28Å; S207-K210 WeakPolarHBondContact O-CB 3.41Å; S207-K210 VanDerWaalsContact O-CG 3.27Å; S207-K210 WeakPolarHBondContact O-CG 3.22Å; S207-K210 PolarHBondContact O-N 2.98Å; S207-K210 VanDerWaalsContact O-N 3.16Å
208Y91.6Very high74.9Confident14 Ų1472.5 Ų72.56%0.05541%0.413CS..G310 helixtrans-61.1-28.8173.4-79.3-79.2000113F19 H22 S23 I26 D28 W30 T190 L204 P205 L206 K210F19-Y208 AromaticContact CD1-CE1 3.86Å; F19-Y208 HydrophobicContact CD1-CE1 3.86Å; F19-Y208 AromaticContact CD2-CD1 3.6Å; F19-Y208 HydrophobicContact CD2-CD1 3.6Å; F19-Y208 AromaticContact CD2-CE1 3.53Å; F19-Y208 HydrophobicContact CD2-CE1 3.53Å; F19-Y208 AromaticContact CE1-CE1 3.64Å; F19-Y208 HydrophobicContact CE1-CE1 3.64Å; F19-Y208 AromaticContact CE1-CZ 3.82Å; F19-Y208 AromaticContact CE2-CD1 3.36Å; F19-Y208 HydrophobicContact CE2-CD1 3.36Å; F19-Y208 AromaticContact CE2-CE1 3.29Å; F19-Y208 HydrophobicContact CE2-CE1 3.29Å; F19-Y208 HydrophobicContact CE2-CG 4.1Å; F19-Y208 AromaticContact CE2-CZ 3.96Å; F19-Y208 HydrophobicContact CG-CD1 4.29Å; F19-Y208 AromaticContact CG-CE1 3.8Å; F19-Y208 HydrophobicContact CG-CE1 3.8Å; F19-Y208 AromaticContact CZ-CD1 3.88Å; F19-Y208 HydrophobicContact CZ-CD1 3.88Å; F19-Y208 AromaticContact CZ-CE1 3.35Å; F19-Y208 HydrophobicContact CZ-CE1 3.35Å; F19-Y208 HydrophobicContact CZ-CE2 4.27Å; F19-Y208 AromaticContact CZ-CZ 3.56Å; F19-Y208 WeakPolarHBondContact O-CE1 3.48Å; H22-Y208 HydrophobicContact CB-CD1 4.43Å; H22-Y208 HydrophobicContact CB-CE1 4.24Å; H22-Y208 AromaticContact CD2-CD1 3.63Å; H22-Y208 AromaticContact CD2-CE1 3.87Å; H22-Y208 AromaticContact CD2-CG 3.84Å; S23-Y208 VanDerWaalsContact CA-OH 3.29Å; S23-Y208 WeakPolarHBondContact CA-OH 3.28Å; S23-Y208 WeakPolarHBondContact CB-OH 3.47Å; S23-Y208 PolarHBondContact OG-OH 2.97Å; S23-Y208 VanDerWaalsContact OG-OH 3.09Å; I26-Y208 HydrophobicContact CD1-CD2 4.08Å; I26-Y208 HydrophobicContact CD1-CE2 3.54Å; D28-Y208 HydrophobicContact CB-CE2 4.4Å; D28-Y208 PolarHBondContact OD2-OH 3.47Å; W30-Y208 VanDerWaalsContact CD1-OH 3.3Å; T190-Y208 WeakPolarHBondContact CG2-O 3.47Å; L204-Y208 HydrophobicContact CB-CD2 4.32Å; L204-Y208 HydrophobicContact CD2-CD2 4.5Å; L204-Y208 HydrophobicContact CD2-CE2 4.4Å; P205-Y208 HydrophobicContact CB-CD2 4.19Å; P205-Y208 HydrophobicContact CG-CD2 4.35Å; P205-Y208 HydrophobicContact CG-CE2 4.25Å; P205-Y208 WeakPolarHBondContact O-CB 3.3Å; P205-Y208 WeakPolarHBondContact O-CD2 3.45Å; P205-Y208 PolarHBondContact O-N 2.6Å; P205-Y208 VanDerWaalsContact O-N 3.07Å; L206-Y208 PolarHBondContact O-N 2.69Å; Y208-K210 VanDerWaalsContact C-N 3.28Å; Y208-K210 PolarHBondContact O-N 2.8Å
209A84.4Confident73.9Confident57 Ų5775.8 Ų75.847%0.47143%0.431SS..G310 helixtrans-82.7-1.3-179.900000113.8L206 S207 A211L206-A209 WeakPolarHBondContact O-CB 3.42Å; L206-A209 PolarHBondContact O-N 2.85Å; L206-A209 VanDerWaalsContact O-N 3.09Å; S207-A209 PolarHBondContact O-N 3.29Å; A209-A211 PolarHBondContact O-N 3.08Å
210K75Confident73Confident153 Ų15380.1 Ų80.167%0.66546%0.456SS*.SBendtrans-59.5122.8169.1-70.9176.6178.5-178.50108S207 Y208 T212S207-K210 VanDerWaalsContact O-CB 3.28Å; S207-K210 WeakPolarHBondContact O-CB 3.41Å; S207-K210 VanDerWaalsContact O-CG 3.27Å; S207-K210 WeakPolarHBondContact O-CG 3.22Å; S207-K210 PolarHBondContact O-N 2.98Å; S207-K210 VanDerWaalsContact O-N 3.16Å; Y208-K210 VanDerWaalsContact C-N 3.28Å; Y208-K210 PolarHBondContact O-N 2.8Å; K210-T212 PolarHBondContact O-N 3.19Å
211A52.2Low71.8Confident42 Ų4285 Ų8535%0.34748%0.483SS..  trans-58.2132173.300000108.8A209 S213A209-A211 PolarHBondContact O-N 3.08Å; A211-S213 PolarHBondContact O-N 3.46Å
212T50.9Low70.5Confident60 Ų6090.1 Ų90.137%0.36851%0.51SS..  trans-70.973.116236.20000108.1K210 Q214K210-T212 PolarHBondContact O-N 3.19Å; T212-Q214 PolarHBondContact O-N 3.11Å
213S41.1Very low68.9Low109 Ų10996.4 Ų96.476%0.76255%0.545SS*.  trans-72.557170.4-550000110.1A211A211-S213 PolarHBondContact O-N 3.46Å
214Q37.3Very low67Low174 Ų17495.5 Ų95.581%0.81354%0.543SS*.  trans-90.894.2160.1-69.4-164.4-49.600106.6T212T212-Q214 PolarHBondContact O-N 3.11Å
215A34.8Very low64.8Low102 Ų102100.8 Ų100.884%0.84358%0.575SS**  trans-76114.7156.600000107
216E32.5Very low62.1Low266 Ų266105.5 Ų105.5100%1.24360%0.598SS**  trans-120.70151.8-71.1-169.3148.800107.1

Retrieved 216 of 216 residues in 1291.2 ms (Link to these results)

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