A0A087X9G0_POEFO Loading...

11-beta-hydroxysteroid dehydrogenase type 2

AlphaFold DB , UniProt , Accession A0A087X9G0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 330 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
1M40.4Very low42.2Very low195 Ų19595.5 Ų95.596%0.96158%0.575SS**  0108.90-77.2-171.1-73.100106.9P262M1-P262 VanDerWaalsContact O-CG 3.27Å; M1-P262 WeakPolarHBondContact O-CG 3.43Å
2E26.9Very low45.2Very low172 Ų17288.3 Ų88.380%0.80453%0.532SS*.  trans-70.5152.2178.5-73.4174.9144.600110.9G4 S5E2-G4 PolarHBondContact O-N 3.44Å; E2-S5 WeakPolarHBondContact O-CB 3.48Å; E2-S5 PolarHBondContact O-N 3.28Å
3A30.6Very low48.1Very low74 Ų7481.5 Ų81.561%0.61249%0.492SS*.G310 helixtrans-53.6-23.7-176.600000114.2S5A3-S5 VanDerWaalsContact C-N 3.33Å; A3-S5 PolarHBondContact O-N 2.98Å
4G28.8Very low50.1Low59 Ų5975.7 Ų75.761%0.60846%0.457SS*.G310 helixtrans-69.3-21.8175.600000115.2E2 I6E2-G4 PolarHBondContact O-N 3.44Å; G4-I6 VanDerWaalsContact C-N 3.29Å; G4-I6 PolarHBondContact O-N 2.96Å
5S36.8Very low51.9Low76 Ų7670.7 Ų70.753%0.53143%0.426SS..G310 helixtrans-77.4-13.3179.4176.90000113.7E2 A3E2-S5 WeakPolarHBondContact O-CB 3.48Å; E2-S5 PolarHBondContact O-N 3.28Å; A3-S5 VanDerWaalsContact C-N 3.33Å; A3-S5 PolarHBondContact O-N 2.98Å
6I46.8Very low52Low26 Ų2666.5 Ų66.513%0.13340%0.401CS..THydrogen-bonded Turntrans-86.4-26.4-174.2-68.2179.3000110.5G4 G8 S9 F11 L260G4-I6 VanDerWaalsContact C-N 3.29Å; G4-I6 PolarHBondContact O-N 2.96Å; I6-G8 PolarHBondContact O-N 3.39Å; I6-S9 PolarHBondContact O-N 3.44Å; I6-S9 PolarHBondContact O-OG 2.95Å; I6-F11 HydrophobicContact CB-CE2 3.93Å; I6-F11 HydrophobicContact CG1-CE2 4.48Å; I6-F11 HydrophobicContact CG2-CD2 3.8Å; I6-F11 HydrophobicContact CG2-CE2 3.22Å; I6-F11 HydrophobicContact CG2-CZ 4.17Å; I6-F11 WeakPolarHBondContact O-CD2 3.27Å; I6-F11 WeakPolarHBondContact O-CE2 3.05Å; I6-L260 WeakPolarHBondContact CD1-O 3.06Å; I6-L260 HydrophobicContact CG2-CD2 4.18Å
7I42.3Very low52.9Low138 Ų13863 Ų6371%0.70838%0.381SS*.THydrogen-bonded Turntrans-76.1-12.9-173.6-53.9173.5000112.1
8G34Very low53.9Low75 Ų7560.8 Ų60.877%0.77337%0.373SS*.THydrogen-bonded Turntrans-94.5-5.7176.800000115.6I6I6-G8 PolarHBondContact O-N 3.39Å
9S47.8Very low55.4Low49 Ų4957.6 Ų57.634%0.34335%0.354SS..SBendtrans-102.1132178.831.90000110.5I6 F11I6-S9 PolarHBondContact O-N 3.44Å; I6-S9 PolarHBondContact O-OG 2.95Å; S9-F11 VanDerWaalsContact C-N 3.32Å; S9-F11 WeakPolarHBondContact O-CD2 2.91Å; S9-F11 PolarHBondContact O-N 3.42Å; S9-F11 WeakPolarHBondContact OG-CE2 3.39Å; S9-F11 WeakPolarHBondContact OG-CZ 3.01Å
10H58.1Low56.8Low158 Ų15856.4 Ų56.473%0.73135%0.345SS*.  trans-63.188.7174.7-77.7-81000110.6D37H10-D37 IonicContact ND1-OD2 3.78Å
11F72.1Confident58.2Low28 Ų2856.7 Ų56.712%0.12335%0.347CS..  trans-91.7123174.2-67.9-51.2000110.3I6 S9 L36 D37 W92I6-F11 HydrophobicContact CB-CE2 3.93Å; I6-F11 HydrophobicContact CG1-CE2 4.48Å; I6-F11 HydrophobicContact CG2-CD2 3.8Å; I6-F11 HydrophobicContact CG2-CE2 3.22Å; I6-F11 HydrophobicContact CG2-CZ 4.17Å; I6-F11 WeakPolarHBondContact O-CD2 3.27Å; I6-F11 WeakPolarHBondContact O-CE2 3.05Å; S9-F11 VanDerWaalsContact C-N 3.32Å; S9-F11 WeakPolarHBondContact O-CD2 2.91Å; S9-F11 PolarHBondContact O-N 3.42Å; S9-F11 WeakPolarHBondContact OG-CE2 3.39Å; S9-F11 WeakPolarHBondContact OG-CZ 3.01Å; F11-L36 HydrophobicContact CB-CD2 4.18Å; F11-D37 PolarHBondContact O-N 3.46Å; F11-W92 HydrophobicContact CB-CB 3.94Å; F11-W92 HydrophobicContact CB-CG 3.91Å; F11-W92 HydrophobicContact CD1-CB 3.61Å; F11-W92 AromaticContact CD1-CD1 3.8Å; F11-W92 AromaticContact CD1-CD2 3.4Å; F11-W92 HydrophobicContact CD1-CD2 3.4Å; F11-W92 VanDerWaalsContact CD1-CD2 3.4Å; F11-W92 AromaticContact CD1-CE2 3.97Å; F11-W92 AromaticContact CD1-CE3 3.79Å; F11-W92 HydrophobicContact CD1-CE3 3.79Å; F11-W92 AromaticContact CD1-CG 3.3Å; F11-W92 HydrophobicContact CD1-CG 3.3Å; F11-W92 AromaticContact CE1-CD2 3.5Å; F11-W92 HydrophobicContact CE1-CD2 3.5Å; F11-W92 VanDerWaalsContact CE1-CD2 3.5Å; F11-W92 AromaticContact CE1-CE2 3.89Å; F11-W92 AromaticContact CE1-CE3 3.51Å; F11-W92 HydrophobicContact CE1-CE3 3.51Å; F11-W92 AromaticContact CE1-CG 3.95Å; F11-W92 HydrophobicContact CE1-CG 3.95Å; F11-W92 HydrophobicContact CE1-CH2 4.18Å; F11-W92 HydrophobicContact CE1-CZ2 4.23Å; F11-W92 AromaticContact CE1-CZ3 3.86Å; F11-W92 HydrophobicContact CE1-CZ3 3.86Å; F11-W92 HydrophobicContact CG-CB 4.15Å; F11-W92 AromaticContact CG-CD1 3.79Å; F11-W92 HydrophobicContact CG-CD2 4.15Å; F11-W92 AromaticContact CG-CG 3.76Å; F11-W92 HydrophobicContact CG-CG 3.76Å; F11-W92 HydrophobicContact CZ-CD2 4.32Å; F11-W92 HydrophobicContact CZ-CE3 4.43Å; F11-W92 HydrophobicContact CZ-CH2 4.37Å; F11-W92 HydrophobicContact CZ-CZ2 4.31Å; F11-W92 HydrophobicContact CZ-CZ3 4.46Å
12S77.3Confident60.5Low9 Ų948.2 Ų48.26%0.06331%0.309CS..EExtended strand (participates in β ladder)trans-105.9135.2173.6-500000111.3D37 L85 L91 W92 G93S12-D37 CarbonylContact C-O 3.57Å; S12-D37 VanDerWaalsContact CA-O 3.23Å; S12-D37 WeakPolarHBondContact CA-O 3.38Å; S12-L85 VanDerWaalsContact CB-CD2 3.46Å; S12-L85 WeakPolarHBondContact OG-CD2 3.49Å; S12-L91 VanDerWaalsContact O-CD1 3.3Å; S12-L91 WeakPolarHBondContact O-CD1 3.36Å; S12-W92 WeakPolarHBondContact O-CA 3.47Å; S12-W92 WeakPolarHBondContact O-CB 3.41Å; S12-W92 PolarHBondContact O-N 2.94Å; S12-G93 PolarHBondContact O-N 2.91Å
13L83.3Confident63.6Low0 Ų041.1 Ų41.10%028%0.276CS..EExtended strand (participates in β ladder)trans-122.9141.6-174.6-64.9174.4000109.9L31 L36 D37 V38 F39 W92 G93 L259L13-L31 HydrophobicContact CD1-CB 4.07Å; L13-L31 HydrophobicContact CD1-CD1 3.69Å; L13-L31 HydrophobicContact CD1-CD2 3.54Å; L13-L31 HydrophobicContact CD1-CG 3.94Å; L13-L36 HydrophobicContact CD1-CB 4.27Å; L13-L36 HydrophobicContact CD1-CD1 3.51Å; L13-D37 PolarHBondContact N-O 3.1Å; L13-V38 CarbonylContact O-C 3.48Å; L13-F39 PolarHBondContact O-N 3.18Å; L13-W92 HydrophobicContact CD2-CG 4.48Å; L13-G93 CarbonylContact C-O 3.29Å; L13-G93 WeakPolarHBondContact CA-O 3.48Å; L13-G93 VanDerWaalsContact CD2-CA 3.44Å; L13-L259 HydrophobicContact CD1-CD1 4.05Å; L13-L259 HydrophobicContact CD2-CD1 4.03Å; L13-L259 HydrophobicContact CD2-CD2 3.93Å; L13-L259 HydrophobicContact CD2-CG 4.45Å
14C75.9Confident66.5Low1 Ų137.6 Ų37.61%0.00725%0.247CC..EExtended strand (participates in β ladder)trans-119130.1173.5-172.90000109.8P16 F39 L91 G93 L94 V95 F133C14-P16 WeakPolarHBondContact O-CD 3.46Å; C14-F39 WeakPolarHBondContact CA-O 3.32Å; C14-F39 HydrophobicContact CB-CB 4.24Å; C14-L91 HydrophobicContact CB-CD1 4.07Å; C14-L91 HydrophobicContact CB-CD2 3.68Å; C14-L91 HydrophobicContact CB-CG 4.49Å; C14-G93 PolarHBondContact N-O 2.64Å; C14-L94 HydrophobicContact CB-CD1 4.02Å; C14-L94 CarbonylContact O-C 3.56Å; C14-L94 WeakPolarHBondContact O-CA 3.45Å; C14-V95 PolarHBondContact O-N 3.49Å; C14-F133 HydrophobicContact CB-CE1 4.5Å
15V77.6Confident69.6Low0 Ų035.6 Ų35.60%022%0.222CC..EExtended strand (participates in β ladder)trans-113.582170.3-169.50000106.8A17 C19 F39 T41 V95 N97V15-A17 PolarHBondContact O-N 3.15Å; V15-A17 VanDerWaalsContact O-N 3.11Å; V15-C19 WeakPolarHBondContact CB-SG 3.49Å; V15-C19 WeakPolarHBondContact CG1-SG 3.42Å; V15-F39 PolarHBondContact N-O 2.97Å; V15-T41 PolarHBondContact O-N 2.81Å; V15-T41 PolarHBondContact O-OG1 3.21Å; V15-T41 VanDerWaalsContact O-OG1 3.13Å; V15-V95 HydrophobicContact CG1-CB 4.32Å; V15-V95 HydrophobicContact CG2-CB 4.15Å; V15-V95 HydrophobicContact CG2-CG2 4.39Å; V15-N97 HydrophobicContact CG1-CB 4.27Å
16P52.9Low72.4Confident4 Ų433.3 Ų33.33%0.02621%0.208CC..  trans-68.4-3.7-165.225.5-39.4000116.4C14 T41 I68 L94 V95 V129C14-P16 WeakPolarHBondContact O-CD 3.46Å; P16-T41 WeakPolarHBondContact CA-OG1 3.43Å; P16-T41 PolarHBondContact O-OG1 3.28Å; P16-I68 WeakPolarHBondContact O-CG2 3.4Å; P16-L94 HydrophobicContact CB-CD1 4.45Å; P16-L94 HydrophobicContact CG-CD1 3.66Å; P16-L94 HydrophobicContact CG-CG 4.35Å; P16-V95 VanDerWaalsContact CD-O 3.31Å; P16-V95 WeakPolarHBondContact CD-O 3.37Å; P16-V129 HydrophobicContact CB-CG1 3.43Å; P16-V129 VanDerWaalsContact CB-CG1 3.43Å; P16-V129 HydrophobicContact CB-CG2 4.3Å; P16-V129 HydrophobicContact CG-CG1 3.33Å
17A67.3Low74.7Confident7 Ų732.1 Ų32.16%0.05820%0.201CC..SBendtrans-168.7157.915900000114.3V15 T41 I68 N97 A98V15-A17 PolarHBondContact O-N 3.15Å; V15-A17 VanDerWaalsContact O-N 3.11Å; A17-T41 WeakPolarHBondContact CA-OG1 3.28Å; A17-T41 PolarHBondContact N-OG1 3.49Å; A17-T41 VanDerWaalsContact N-OG1 3.07Å; A17-I68 HydrophobicContact CB-CG2 3.54Å; A17-N97 PolarHBondContact O-ND2 3.45Å; A17-N97 VanDerWaalsContact O-ND2 3.11Å; A17-A98 HydrophobicContact CB-CB 3.58Å
18G70.4Confident77.2Confident23 Ų2325.5 Ų25.524%0.23717%0.168CC..  trans83.828.7175.700000114D20 G24 N97G18-D20 VanDerWaalsContact C-N 3.26Å; G18-G24 WeakPolarHBondContact O-CA 3.27Å; G18-N97 PolarHBondContact O-ND2 3.07Å
19C83.3Confident80.1Confident0 Ų025.5 Ų25.50%015%0.146CC..  trans-82.8-2.5169.6-59.90000113.1V15 T21 N25 A40 T41 V42 L53V15-C19 WeakPolarHBondContact CB-SG 3.49Å; V15-C19 WeakPolarHBondContact CG1-SG 3.42Å; C19-T21 VanDerWaalsContact C-N 3.26Å; C19-T21 PolarHBondContact O-N 2.92Å; C19-N25 VanDerWaalsContact O-CB 3.26Å; C19-N25 WeakPolarHBondContact O-CB 3.34Å; C19-N25 PolarHBondContact O-ND2 3.34Å; C19-A40 HydrophobicContact CB-CB 4.11Å; C19-T41 WeakPolarHBondContact CB-O 3.37Å; C19-T41 PolarHBondContact N-O 3.02Å; C19-V42 HydrophobicContact CB-CG1 4.27Å; C19-L53 HydrophobicContact CB-CD1 3.88Å; C19-L53 WeakPolarHBondContact O-CD1 3.34Å
20D83.6Confident82.3Confident34 Ų3426.2 Ų26.218%0.18214%0.144CC..SBendtrans-59.5-39.6174.8-58.8-87.3000111.5G18 V42 L43 G49G18-D20 VanDerWaalsContact C-N 3.26Å; D20-V42 WeakPolarHBondContact OD1-CB 2.96Å; D20-V42 WeakPolarHBondContact OD2-CA 3.49Å; D20-L43 PolarHBondContact OD1-N 3.28Å; D20-L43 PolarHBondContact OD2-N 2.87Å; D20-L43 VanDerWaalsContact OD2-N 3.07Å; D20-G49 WeakPolarHBondContact O-CA 3.33Å
21T85.2Confident84.1Confident63 Ų6318.7 Ų18.739%0.38711%0.109SC..SBendtrans-152.5-179.1-177.464.50000111.6C19 N25 A198C19-T21 VanDerWaalsContact C-N 3.26Å; C19-T21 PolarHBondContact O-N 2.92Å; T21-N25 PolarHBondContact O-N 2.64Å; T21-A198 HydrophobicContact CG2-CB 3.69Å
22G89.4Confident85.2Confident16 Ų1618.1 Ų18.117%0.16511%0.107CC..Hα-helixtrans63.5-146.8167.600000115G24 N25 A26G22-G24 PolarHBondContact O-N 3.11Å; G22-N25 PolarHBondContact O-N 2.79Å; G22-A26 PolarHBondContact O-N 3.08Å; G22-A26 VanDerWaalsContact O-N 3.09Å
23F92.3Very high86Confident24 Ų2421.7 Ų21.711%0.10513%0.133CC..Hα-helixtrans-62.8-41.6-174.2-53.8-54.4000113.1N25 A26 A27 I147 P192 Y195 T197 L248 V251F23-N25 PolarHBondContact O-N 3.45Å; F23-A26 PolarHBondContact O-N 3.35Å; F23-A27 WeakPolarHBondContact O-CB 3.49Å; F23-A27 PolarHBondContact O-N 3.29Å; F23-I147 HydrophobicContact CD2-CG2 4.4Å; F23-P192 HydrophobicContact CE2-CB 4.15Å; F23-P192 HydrophobicContact CE2-CG 4.03Å; F23-P192 HydrophobicContact CZ-CB 4.02Å; F23-P192 HydrophobicContact CZ-CG 4.33Å; F23-Y195 HydrophobicContact CE1-CD1 4.29Å; F23-Y195 AromaticContact CE1-CD2 4Å; F23-Y195 HydrophobicContact CE1-CD2 4Å; F23-Y195 AromaticContact CE1-CG 3.83Å; F23-Y195 HydrophobicContact CE1-CG 3.83Å; F23-Y195 AromaticContact CZ-CD2 3.56Å; F23-Y195 HydrophobicContact CZ-CD2 3.56Å; F23-Y195 HydrophobicContact CZ-CE2 4.34Å; F23-Y195 AromaticContact CZ-CG 3.7Å; F23-Y195 HydrophobicContact CZ-CG 3.7Å; F23-T197 HydrophobicContact CE1-CG2 4.47Å; F23-T197 HydrophobicContact CE2-CG2 4.16Å; F23-T197 HydrophobicContact CZ-CG2 4.15Å; F23-L248 HydrophobicContact CD1-CB 4.19Å; F23-L248 HydrophobicContact CD1-CD1 4.43Å; F23-L248 HydrophobicContact CD1-CD2 4.08Å; F23-L248 HydrophobicContact CD1-CG 4.46Å; F23-L248 HydrophobicContact CE1-CB 4.33Å; F23-L248 HydrophobicContact CE1-CD2 3.66Å; F23-L248 HydrophobicContact CE1-CG 4.46Å; F23-V251 HydrophobicContact CB-CG1 4.17Å; F23-V251 HydrophobicContact CD1-CB 3.63Å; F23-V251 HydrophobicContact CD1-CG1 3.52Å; F23-V251 HydrophobicContact CD1-CG2 4.04Å; F23-V251 HydrophobicContact CD2-CG1 4.16Å; F23-V251 HydrophobicContact CE1-CB 3.64Å; F23-V251 HydrophobicContact CE1-CG1 3.83Å; F23-V251 HydrophobicContact CE1-CG2 3.49Å; F23-V251 VanDerWaalsContact CE1-CG2 3.49Å; F23-V251 HydrophobicContact CE2-CG1 4.42Å; F23-V251 HydrophobicContact CG-CB 4.33Å; F23-V251 HydrophobicContact CG-CG1 3.7Å; F23-V251 HydrophobicContact CZ-CB 4.34Å; F23-V251 HydrophobicContact CZ-CG1 4.26Å; F23-V251 HydrophobicContact CZ-CG2 3.84Å
24G92.1Very high86.5Confident0 Ų025.2 Ų25.20%015%0.151CC..Hα-helixtrans-61-44178.600000112.1G18 G22 A28 N97G18-G24 WeakPolarHBondContact O-CA 3.27Å; G22-G24 PolarHBondContact O-N 3.11Å; G24-A28 VanDerWaalsContact O-CB 3.25Å; G24-A28 WeakPolarHBondContact O-CB 3.46Å; G24-A28 PolarHBondContact O-N 3.19Å; G24-N97 PolarHBondContact N-OD1 3.29Å
25N93.5Very high87.3Confident17 Ų1727 Ų279%0.09117%0.169CC..Hα-helixtrans-63.1-48.4176.5-171.4-89.6000112C19 T21 G22 F23 A28 K29 L53C19-N25 VanDerWaalsContact O-CB 3.26Å; C19-N25 WeakPolarHBondContact O-CB 3.34Å; C19-N25 PolarHBondContact O-ND2 3.34Å; T21-N25 PolarHBondContact O-N 2.64Å; G22-N25 PolarHBondContact O-N 2.79Å; F23-N25 PolarHBondContact O-N 3.45Å; N25-A28 PolarHBondContact O-N 3.39Å; N25-K29 WeakPolarHBondContact O-CG 3.38Å; N25-K29 PolarHBondContact O-N 2.71Å; N25-K29 VanDerWaalsContact O-N 3.09Å; N25-K29 WeakPolarHBondContact OD1-CE 3.43Å; N25-K29 PolarHBondContact OD1-NZ 3.34Å; N25-L53 WeakPolarHBondContact ND2-CG 3.46Å
26A94.4Very high88Confident28 Ų2827.8 Ų27.823%0.23117%0.173CC..Hα-helixtrans-65-42.8-178.800000111.6G22 F23 H30 L248 V252G22-A26 PolarHBondContact O-N 3.08Å; G22-A26 VanDerWaalsContact O-N 3.09Å; F23-A26 PolarHBondContact O-N 3.35Å; A26-H30 WeakPolarHBondContact O-CB 3.46Å; A26-H30 PolarHBondContact O-N 3.25Å; A26-L248 HydrophobicContact CB-CD1 4.29Å; A26-V252 HydrophobicContact CB-CG2 3.62Å
27A95Very high89.9Confident0 Ų029.3 Ų29.30%018%0.181CC..Hα-helixtrans-64-44.7175.200000111.6F23 K29 H30 L31 I255F23-A27 WeakPolarHBondContact O-CB 3.49Å; F23-A27 PolarHBondContact O-N 3.29Å; A27-K29 PolarHBondContact O-N 2.8Å; A27-H30 PolarHBondContact O-N 2.89Å; A27-L31 WeakPolarHBondContact O-CB 3.15Å; A27-L31 WeakPolarHBondContact O-CD1 3.14Å; A27-L31 WeakPolarHBondContact O-CG 3.36Å; A27-L31 PolarHBondContact O-N 3.31Å; A27-I255 HydrophobicContact CB-CD1 3.83Å; A27-I255 HydrophobicContact CB-CG2 4.28Å
28A94.9Very high91.2Very high0 Ų029 Ų290%018%0.179CC..Hα-helixtrans-59.3-46178.800000112.1G24 N25 D32 V38 A40 L53 L61G24-A28 VanDerWaalsContact O-CB 3.25Å; G24-A28 WeakPolarHBondContact O-CB 3.46Å; G24-A28 PolarHBondContact O-N 3.19Å; N25-A28 PolarHBondContact O-N 3.39Å; A28-D32 WeakPolarHBondContact O-CB 3.32Å; A28-D32 PolarHBondContact O-N 2.81Å; A28-V38 HydrophobicContact CB-CG1 4.27Å; A28-A40 HydrophobicContact CB-CB 3.99Å; A28-L53 HydrophobicContact CB-CD2 4.44Å; A28-L61 HydrophobicContact CB-CD1 4.07Å
29K95.3Very high92.4Very high74 Ų7428.2 Ų28.232%0.32217%0.169SC..Hα-helixtrans-61-45.9174.6-75.4169.3172.51660112.2N25 A27 D32 S33 L53 S56N25-K29 WeakPolarHBondContact O-CG 3.38Å; N25-K29 PolarHBondContact O-N 2.71Å; N25-K29 VanDerWaalsContact O-N 3.09Å; N25-K29 WeakPolarHBondContact OD1-CE 3.43Å; N25-K29 PolarHBondContact OD1-NZ 3.34Å; A27-K29 PolarHBondContact O-N 2.8Å; K29-D32 PolarHBondContact O-N 3.38Å; K29-S33 WeakPolarHBondContact O-CB 3.39Å; K29-S33 PolarHBondContact O-N 2.9Å; K29-L53 HydrophobicContact CD-CD2 4.5Å; K29-L53 HydrophobicContact CG-CD2 3.88Å; K29-S56 WeakPolarHBondContact CE-OG 3.33Å
30H95.4Very high93Very high65 Ų6528.2 Ų28.230%0.30117%0.169SC..Hα-helixtrans-67.8-42.7-177-171.343.2000111.6A26 A27 D32 S33 L34 V252 V256A26-H30 WeakPolarHBondContact O-CB 3.46Å; A26-H30 PolarHBondContact O-N 3.25Å; A27-H30 PolarHBondContact O-N 2.89Å; H30-D32 PolarHBondContact O-N 3.1Å; H30-S33 PolarHBondContact ND1-OG 3.31Å; H30-S33 WeakPolarHBondContact O-CB 3.5Å; H30-S33 PolarHBondContact O-N 3.08Å; H30-S33 VanDerWaalsContact O-N 3.15Å; H30-S33 PolarHBondContact O-OG 2.77Å; H30-L34 WeakPolarHBondContact O-CG 3.16Å; H30-L34 PolarHBondContact O-N 3.43Å; H30-L34 VanDerWaalsContact O-N 3.1Å; H30-V252 HydrophobicContact CB-CG1 3.86Å; H30-V256 VanDerWaalsContact CD2-CG2 3.49Å; H30-V256 WeakPolarHBondContact CD2-CG2 3.33Å
31L94.4Very high93.5Very high0 Ų026.6 Ų26.60%016%0.16CC..Hα-helixtrans-63.5-39.2176-66.9165.5000112.3L13 A27 L34 L36 V38 V256 L259L13-L31 HydrophobicContact CD1-CB 4.07Å; L13-L31 HydrophobicContact CD1-CD1 3.69Å; L13-L31 HydrophobicContact CD1-CD2 3.54Å; L13-L31 HydrophobicContact CD1-CG 3.94Å; A27-L31 WeakPolarHBondContact O-CB 3.15Å; A27-L31 WeakPolarHBondContact O-CD1 3.14Å; A27-L31 WeakPolarHBondContact O-CG 3.36Å; A27-L31 PolarHBondContact O-N 3.31Å; L31-L34 PolarHBondContact O-N 3.17Å; L31-L36 HydrophobicContact CB-CD1 4.43Å; L31-L36 HydrophobicContact CD2-CD1 3.89Å; L31-L36 WeakPolarHBondContact O-CB 3.22Å; L31-L36 PolarHBondContact O-N 2.6Å; L31-V38 HydrophobicContact CB-CG2 3.79Å; L31-V256 HydrophobicContact CD2-CG2 3.9Å; L31-L259 HydrophobicContact CD1-CD1 4.04Å; L31-L259 HydrophobicContact CD2-CD1 3.99Å
32D95.1Very high93.8Very high15 Ų1523.6 Ų23.68%0.0814%0.142CC..Hα-helixtrans-63.3-41.7171.9177.174.3000111.4A28 K29 H30 L34 G35 V38 C57 S58 L61A28-D32 WeakPolarHBondContact O-CB 3.32Å; A28-D32 PolarHBondContact O-N 2.81Å; K29-D32 PolarHBondContact O-N 3.38Å; H30-D32 PolarHBondContact O-N 3.1Å; D32-L34 PolarHBondContact O-N 2.85Å; D32-G35 WeakPolarHBondContact O-CA 3.2Å; D32-G35 PolarHBondContact O-N 3.04Å; D32-V38 HydrophobicContact CB-CG2 4.44Å; D32-C57 HydrophobicContact CB-CB 4.43Å; D32-C57 VanDerWaalsContact OD2-CA 3.28Å; D32-C57 WeakPolarHBondContact OD2-CA 3.38Å; D32-C57 WeakPolarHBondContact OD2-CB 3.23Å; D32-S58 WeakPolarHBondContact OD1-CB 3.49Å; D32-S58 PolarHBondContact OD1-N 3.35Å; D32-S58 PolarHBondContact OD1-OG 2.92Å; D32-S58 PolarHBondContact OD2-N 3.11Å; D32-L61 HydrophobicContact CB-CB 4.44Å; D32-L61 HydrophobicContact CB-CD1 4.34Å
33S95.3Very high93.9Very high85 Ų8527.8 Ų27.859%0.59416%0.16SC*.Hα-helixtrans-63.6-23.2176.778.50000113.9K29 H30 G35K29-S33 WeakPolarHBondContact O-CB 3.39Å; K29-S33 PolarHBondContact O-N 2.9Å; H30-S33 PolarHBondContact ND1-OG 3.31Å; H30-S33 WeakPolarHBondContact O-CB 3.5Å; H30-S33 PolarHBondContact O-N 3.08Å; H30-S33 VanDerWaalsContact O-N 3.15Å; H30-S33 PolarHBondContact O-OG 2.77Å; S33-G35 PolarHBondContact O-N 3.48Å
34L94.3Very high93.8Very high74 Ų7430 Ų3039%0.38717%0.173SC..THydrogen-bonded Turntrans-82.51.5172.9-64.1173.5000112.8H30 L31 D32 L36 V256 L260H30-L34 WeakPolarHBondContact O-CG 3.16Å; H30-L34 PolarHBondContact O-N 3.43Å; H30-L34 VanDerWaalsContact O-N 3.1Å; L31-L34 PolarHBondContact O-N 3.17Å; D32-L34 PolarHBondContact O-N 2.85Å; L34-L36 HydrophobicContact CB-CG 4.3Å; L34-V256 HydrophobicContact CD1-CG1 4.01Å; L34-V256 HydrophobicContact CD1-CG2 4.42Å; L34-L260 HydrophobicContact CD1-CD1 4.24Å
35G92.4Very high93.9Very high38 Ų3832.4 Ų32.439%0.39219%0.186SC..THydrogen-bonded Turntrans83.315.6177.400000114.8D32 S33 R60D32-G35 WeakPolarHBondContact O-CA 3.2Å; D32-G35 PolarHBondContact O-N 3.04Å; S33-G35 PolarHBondContact O-N 3.48Å; G35-R60 WeakPolarHBondContact O-CD 3.35Å
36L91.4Very high93.9Very high16 Ų1639.4 Ų39.48%0.08422%0.215CC..  trans-85.2152.7-179.1-52.3179.5000111.4F11 L13 L31 L34 V38 L260F11-L36 HydrophobicContact CB-CD2 4.18Å; L13-L36 HydrophobicContact CD1-CB 4.27Å; L13-L36 HydrophobicContact CD1-CD1 3.51Å; L31-L36 HydrophobicContact CB-CD1 4.43Å; L31-L36 HydrophobicContact CD2-CD1 3.89Å; L31-L36 WeakPolarHBondContact O-CB 3.22Å; L31-L36 PolarHBondContact O-N 2.6Å; L34-L36 HydrophobicContact CB-CG 4.3Å; L36-V38 HydrophobicContact CB-CG2 4.48Å; L36-L260 HydrophobicContact CD1-CD1 4.36Å; L36-L260 HydrophobicContact CD1-CD2 4.19Å
37D93.3Very high93.7Very high36 Ų3638.8 Ų38.819%0.19321%0.212CC..EExtended strand (participates in β ladder)trans-83.3116.8174.6-60.8-46.9000109.1H10 F11 S12 L13 R60H10-D37 IonicContact ND1-OD2 3.78Å; F11-D37 PolarHBondContact O-N 3.46Å; S12-D37 CarbonylContact C-O 3.57Å; S12-D37 VanDerWaalsContact CA-O 3.23Å; S12-D37 WeakPolarHBondContact CA-O 3.38Å; L13-D37 PolarHBondContact N-O 3.1Å; D37-R60 IonicContact OD1-NH1 3.11Å; D37-R60 PolarHBondContact OD1-NH1 3.4Å; D37-R60 VanDerWaalsContact OD1-NH1 3.11Å
38V94.8Very high93.5Very high1 Ų144.3 Ų44.31%0.00624%0.241CC..EExtended strand (participates in β ladder)trans-118.1121.2-169.5-178.40000111L13 A28 L31 D32 L36 A40 R60 L61 T62L13-V38 CarbonylContact O-C 3.48Å; A28-V38 HydrophobicContact CB-CG1 4.27Å; L31-V38 HydrophobicContact CB-CG2 3.79Å; D32-V38 HydrophobicContact CB-CG2 4.44Å; L36-V38 HydrophobicContact CB-CG2 4.48Å; V38-A40 HydrophobicContact CG1-CB 4.23Å; V38-R60 PolarHBondContact N-O 2.98Å; V38-L61 HydrophobicContact CB-CD1 4.29Å; V38-L61 HydrophobicContact CB-CG 4.35Å; V38-L61 HydrophobicContact CG1-CD1 4.14Å; V38-L61 HydrophobicContact CG1-CG 4.47Å; V38-L61 CarbonylContact O-C 3.58Å; V38-L61 VanDerWaalsContact O-CA 3.32Å; V38-L61 WeakPolarHBondContact O-CA 3.48Å; V38-T62 PolarHBondContact O-N 3.23Å
39F95.6Very high93.2Very high6 Ų644.9 Ų44.93%0.02625%0.247CC..EExtended strand (participates in β ladder)trans-91.196.6164.8-60.1-85000108.4L13 C14 V15 T62 L64 T81 K84 L85 L91L13-F39 PolarHBondContact O-N 3.18Å; C14-F39 WeakPolarHBondContact CA-O 3.32Å; C14-F39 HydrophobicContact CB-CB 4.24Å; V15-F39 PolarHBondContact N-O 2.97Å; F39-T62 CarbonylContact C-O 3.53Å; F39-T62 WeakPolarHBondContact CA-O 3.32Å; F39-T62 HydrophobicContact CD1-CG2 4.17Å; F39-T62 HydrophobicContact CE1-CG2 4.38Å; F39-L64 HydrophobicContact CB-CD1 4.4Å; F39-L64 HydrophobicContact CD1-CD1 4.29Å; F39-T81 HydrophobicContact CD1-CG2 4.41Å; F39-T81 HydrophobicContact CD2-CG2 3.95Å; F39-T81 HydrophobicContact CE1-CG2 4.29Å; F39-T81 HydrophobicContact CE2-CG2 3.83Å; F39-T81 HydrophobicContact CG-CG2 4.24Å; F39-T81 HydrophobicContact CZ-CG2 4Å; F39-K84 HydrophobicContact CE1-CB 3.61Å; F39-K84 HydrophobicContact CE1-CG 3.64Å; F39-K84 HydrophobicContact CZ-CB 3.7Å; F39-K84 HydrophobicContact CZ-CG 3.65Å; F39-L85 HydrophobicContact CE2-CD2 4.04Å; F39-L85 HydrophobicContact CE2-CG 4.14Å; F39-L85 HydrophobicContact CZ-CD2 4.33Å; F39-L85 HydrophobicContact CZ-CG 4.17Å; F39-L91 HydrophobicContact CD2-CD1 4.42Å
40A95.3Very high93.1Very high0 Ų041.4 Ų41.40%023%0.232CC..EExtended strand (participates in β ladder)trans-97.1124.9178.700000109.3C19 A28 V38 L53 L61 T62 L63 L64C19-A40 HydrophobicContact CB-CB 4.11Å; A28-A40 HydrophobicContact CB-CB 3.99Å; V38-A40 HydrophobicContact CG1-CB 4.23Å; A40-L53 HydrophobicContact CB-CD1 4.43Å; A40-L61 HydrophobicContact CB-CD1 4.02Å; A40-L61 HydrophobicContact CB-CD2 4.15Å; A40-L61 HydrophobicContact CB-CG 4.12Å; A40-T62 PolarHBondContact N-O 2.97Å; A40-L63 HydrophobicContact CB-CD2 4.04Å; A40-L63 VanDerWaalsContact O-CA 3.28Å; A40-L63 WeakPolarHBondContact O-CA 3.42Å; A40-L64 PolarHBondContact O-N 3.43Å; A40-L64 VanDerWaalsContact O-N 3.09Å
41T93.3Very high93Very high1 Ų143.1 Ų43.11%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-105.4144.8-18081.90000112.3V15 P16 A17 C19 L64 V66V15-T41 PolarHBondContact O-N 2.81Å; V15-T41 PolarHBondContact O-OG1 3.21Å; V15-T41 VanDerWaalsContact O-OG1 3.13Å; P16-T41 WeakPolarHBondContact CA-OG1 3.43Å; P16-T41 PolarHBondContact O-OG1 3.28Å; A17-T41 WeakPolarHBondContact CA-OG1 3.28Å; A17-T41 PolarHBondContact N-OG1 3.49Å; A17-T41 VanDerWaalsContact N-OG1 3.07Å; C19-T41 WeakPolarHBondContact CB-O 3.37Å; C19-T41 PolarHBondContact N-O 3.02Å; T41-L64 CarbonylContact C-O 3.59Å; T41-L64 WeakPolarHBondContact CA-O 3.36Å; T41-L64 WeakPolarHBondContact CB-O 3.4Å; T41-L64 HydrophobicContact CG2-CB 4.02Å; T41-L64 HydrophobicContact CG2-CD1 4.41Å; T41-V66 HydrophobicContact CG2-CB 4.32Å; T41-V66 HydrophobicContact CG2-CG2 3.78Å
42V93Very high92.9Very high0 Ų045 Ų450%025%0.251CS..EExtended strand (participates in β ladder)trans-130.6153.5-176.1-70.40000109.2C19 D20 L45 A50 L53 L63 L64 Q65 V66C19-V42 HydrophobicContact CB-CG1 4.27Å; D20-V42 WeakPolarHBondContact OD1-CB 2.96Å; D20-V42 WeakPolarHBondContact OD2-CA 3.49Å; V42-L45 HydrophobicContact CG2-CD2 3.81Å; V42-L45 HydrophobicContact CG2-CG 4.25Å; V42-A50 HydrophobicContact CB-CB 4.36Å; V42-A50 HydrophobicContact CG1-CB 4.22Å; V42-A50 HydrophobicContact CG2-CB 3.95Å; V42-L53 HydrophobicContact CG1-CD1 4.18Å; V42-L63 HydrophobicContact CG1-CD2 4.27Å; V42-L64 PolarHBondContact N-O 2.84Å; V42-Q65 CarbonylContact O-C 3.59Å; V42-Q65 VanDerWaalsContact O-CA 3.3Å; V42-Q65 WeakPolarHBondContact O-CA 3.46Å; V42-V66 PolarHBondContact O-N 3.31Å
43L90.4Very high92.9Very high104 Ų10444.3 Ų44.355%0.54525%0.247SC..SBendtrans-70.8-35.1176.8-71.9173.5000112.2D20 Q65 D67D20-L43 PolarHBondContact OD1-N 3.28Å; D20-L43 PolarHBondContact OD2-N 2.87Å; D20-L43 VanDerWaalsContact OD2-N 3.07Å; L43-Q65 WeakPolarHBondContact O-CG 3.27Å; L43-D67 HydrophobicContact CD2-CB 4.23Å
44D90.9Very high92.8Very high71 Ų7146.5 Ų46.538%0.3824%0.243SC..  trans-134.7118.1176.5178.511.9000110.6K46 G47 A50D44-K46 PolarHBondContact O-N 3.23Å; D44-K46 VanDerWaalsContact O-N 3.17Å; D44-K46 WeakPolarHBondContact OD1-CB 3.2Å; D44-K46 PolarHBondContact OD1-N 3.09Å; D44-G47 PolarHBondContact O-N 3.43Å; D44-G47 PolarHBondContact OD2-N 2.67Å; D44-A50 WeakPolarHBondContact O-CB 3.49Å
45L93.1Very high92.8Very high50 Ų5053 Ų5326%0.26226%0.262SS..THydrogen-bonded Turntrans-62.9-20.7176-78.7170.3000113.1V42 A50 R54 L63 Q65V42-L45 HydrophobicContact CG2-CD2 3.81Å; V42-L45 HydrophobicContact CG2-CG 4.25Å; L45-A50 WeakPolarHBondContact O-CB 2.96Å; L45-R54 VanDerWaalsContact O-CZ 3.31Å; L45-R54 PolarHBondContact O-NH1 3.44Å; L45-R54 PolarHBondContact O-NH2 2.84Å; L45-L63 HydrophobicContact CD2-CB 3.7Å; L45-Q65 HydrophobicContact CD1-CB 3.78Å; L45-Q65 HydrophobicContact CG-CB 3.74Å; L45-Q65 HydrophobicContact CG-CG 4.27Å
46K93.8Very high92.9Very high164 Ų16454.4 Ų54.471%0.71327%0.266SS*.THydrogen-bonded Turntrans-91.1-10.4175.2-60.5178.8-176.8175.90112.1D44 R51D44-K46 PolarHBondContact O-N 3.23Å; D44-K46 VanDerWaalsContact O-N 3.17Å; D44-K46 WeakPolarHBondContact OD1-CB 3.2Å; D44-K46 PolarHBondContact OD1-N 3.09Å; K46-R51 PolarHBondContact O-NH1 3.02Å
47G91Very high93.1Very high15 Ų1554.6 Ų54.616%0.15527%0.269CS..SBendtrans-66.1165.6-17800000114.4D44 G49 A50 R51D44-G47 PolarHBondContact O-N 3.43Å; D44-G47 PolarHBondContact OD2-N 2.67Å; G47-G49 VanDerWaalsContact C-N 3.35Å; G47-G49 PolarHBondContact O-N 3.09Å; G47-A50 PolarHBondContact O-N 3.18Å; G47-R51 WeakPolarHBondContact O-CG 3.37Å; G47-R51 PolarHBondContact O-N 2.96Å
48D90.3Very high93.2Very high116 Ų11655.4 Ų55.462%0.6228%0.277SS*.Hα-helixtrans-61.1-40.3-179.5-80.5-51.1000113.4A50 R51 A52D48-A50 PolarHBondContact O-N 3.31Å; D48-R51 PolarHBondContact O-N 3.19Å; D48-R51 IonicContact OD1-CZ 3.78Å; D48-R51 VanDerWaalsContact OD1-CZ 3.3Å; D48-R51 IonicContact OD1-NE 2.68Å; D48-R51 PolarHBondContact OD1-NE 2.81Å; D48-R51 IonicContact OD1-NH2 3.81Å; D48-R51 PolarHBondContact OD1-NH2 3.45Å; D48-R51 IonicContact OD2-NH2 3.15Å; D48-R51 PolarHBondContact OD2-NH2 3.2Å; D48-A52 WeakPolarHBondContact O-CB 3.41Å; D48-A52 PolarHBondContact O-N 3.17Å
49G89.1Confident93.1Very high12 Ų1260.9 Ų60.912%0.12432%0.315CS..Hα-helixtrans-58.9-46.3176.700000112.3D20 G47 A52 L53D20-G49 WeakPolarHBondContact O-CA 3.33Å; G47-G49 VanDerWaalsContact C-N 3.35Å; G47-G49 PolarHBondContact O-N 3.09Å; G49-A52 PolarHBondContact O-N 3.03Å; G49-L53 WeakPolarHBondContact O-CG 3.46Å; G49-L53 PolarHBondContact O-N 2.9Å
50A93.1Very high92.9Very high0 Ų065.6 Ų65.60%033%0.333CS..Hα-helixtrans-62.3-44.7175.300000112.1V42 D44 L45 G47 D48 A52 L53 R54 L63V42-A50 HydrophobicContact CB-CB 4.36Å; V42-A50 HydrophobicContact CG1-CB 4.22Å; V42-A50 HydrophobicContact CG2-CB 3.95Å; D44-A50 WeakPolarHBondContact O-CB 3.49Å; L45-A50 WeakPolarHBondContact O-CB 2.96Å; G47-A50 PolarHBondContact O-N 3.18Å; D48-A50 PolarHBondContact O-N 3.31Å; A50-A52 PolarHBondContact O-N 3.43Å; A50-L53 PolarHBondContact O-N 3.27Å; A50-R54 WeakPolarHBondContact O-CG 3.21Å; A50-R54 PolarHBondContact O-N 3.28Å; A50-L63 HydrophobicContact CB-CD1 4.17Å; A50-L63 WeakPolarHBondContact O-CD1 3.26Å
51R93.9Very high92.9Very high102 Ų10266.5 Ų66.539%0.38534%0.338SS..Hα-helixtrans-61.1-42.8175.8-71.1-171.8-71.1-114.113.9112K46 G47 D48 R54 R55K46-R51 PolarHBondContact O-NH1 3.02Å; G47-R51 WeakPolarHBondContact O-CG 3.37Å; G47-R51 PolarHBondContact O-N 2.96Å; D48-R51 PolarHBondContact O-N 3.19Å; D48-R51 IonicContact OD1-CZ 3.78Å; D48-R51 VanDerWaalsContact OD1-CZ 3.3Å; D48-R51 IonicContact OD1-NE 2.68Å; D48-R51 PolarHBondContact OD1-NE 2.81Å; D48-R51 IonicContact OD1-NH2 3.81Å; D48-R51 PolarHBondContact OD1-NH2 3.45Å; D48-R51 IonicContact OD2-NH2 3.15Å; D48-R51 PolarHBondContact OD2-NH2 3.2Å; R51-R54 PolarHBondContact O-N 2.9Å; R51-R55 WeakPolarHBondContact O-CG 3.44Å; R51-R55 PolarHBondContact O-N 3.1Å; R51-R55 VanDerWaalsContact O-N 3.17Å
52A92.1Very high92.9Very high39 Ų3968.1 Ų68.132%0.32235%0.348SS..Hα-helixtrans-63.9-42.8178.400000111.6D48 G49 A50 R55 S56D48-A52 WeakPolarHBondContact O-CB 3.41Å; D48-A52 PolarHBondContact O-N 3.17Å; G49-A52 PolarHBondContact O-N 3.03Å; A50-A52 PolarHBondContact O-N 3.43Å; A52-R55 PolarHBondContact O-N 3.34Å; A52-S56 WeakPolarHBondContact O-CB 3.07Å; A52-S56 PolarHBondContact O-N 3.06Å; A52-S56 VanDerWaalsContact O-N 3.09Å; A52-S56 PolarHBondContact O-OG 3.11Å
53L94Very high93.1Very high0 Ų069.4 Ų69.40%035%0.354CS..Hα-helixtrans-61.9-47.1175.3-73.8171.3000111.8C19 N25 A28 K29 A40 V42 G49 A50 R55 S56 C57 L61 L63C19-L53 HydrophobicContact CB-CD1 3.88Å; C19-L53 WeakPolarHBondContact O-CD1 3.34Å; N25-L53 WeakPolarHBondContact ND2-CG 3.46Å; A28-L53 HydrophobicContact CB-CD2 4.44Å; K29-L53 HydrophobicContact CD-CD2 4.5Å; K29-L53 HydrophobicContact CG-CD2 3.88Å; A40-L53 HydrophobicContact CB-CD1 4.43Å; V42-L53 HydrophobicContact CG1-CD1 4.18Å; G49-L53 WeakPolarHBondContact O-CG 3.46Å; G49-L53 PolarHBondContact O-N 2.9Å; A50-L53 PolarHBondContact O-N 3.27Å; L53-R55 PolarHBondContact O-N 2.78Å; L53-S56 PolarHBondContact O-N 2.95Å; L53-C57 VanDerWaalsContact O-CB 3.32Å; L53-C57 WeakPolarHBondContact O-CB 3.26Å; L53-C57 PolarHBondContact O-N 3.01Å; L53-C57 PolarHBondContact O-SG 2.72Å; L53-L61 HydrophobicContact CB-CD2 4.34Å; L53-L61 HydrophobicContact CD2-CD1 4.44Å; L53-L63 HydrophobicContact CB-CD1 4.43Å; L53-L63 HydrophobicContact CB-CD2 4.07Å; L53-L63 HydrophobicContact CD1-CD2 3.69Å
54R94.4Very high93.3Very high132 Ų13265.1 Ų65.150%0.49833%0.332SS..Hα-helixtrans-58.2-32.6176.9-68.9-170-170.596-2.3113.8L45 A50 R51 L63L45-R54 VanDerWaalsContact O-CZ 3.31Å; L45-R54 PolarHBondContact O-NH1 3.44Å; L45-R54 PolarHBondContact O-NH2 2.84Å; A50-R54 WeakPolarHBondContact O-CG 3.21Å; A50-R54 PolarHBondContact O-N 3.28Å; R51-R54 PolarHBondContact O-N 2.9Å; R54-L63 HydrophobicContact CG-CD1 3.44Å; R54-L63 VanDerWaalsContact CG-CD1 3.44Å
55R94.1Very high93.5Very high209 Ų20965.9 Ų65.979%0.78933%0.333SS*.Hα-helixtrans-81-29.7-179.8-72176.2-175166.31.5113.4R51 A52 L53R51-R55 WeakPolarHBondContact O-CG 3.44Å; R51-R55 PolarHBondContact O-N 3.1Å; R51-R55 VanDerWaalsContact O-N 3.17Å; A52-R55 PolarHBondContact O-N 3.34Å; L53-R55 PolarHBondContact O-N 2.78Å
56S93.7Very high93.5Very high69 Ų6963.7 Ų63.748%0.48332%0.322SS..Hα-helixtrans-103.6-18.6-169.854.30000114.2K29 A52 L53K29-S56 WeakPolarHBondContact CE-OG 3.33Å; A52-S56 WeakPolarHBondContact O-CB 3.07Å; A52-S56 PolarHBondContact O-N 3.06Å; A52-S56 VanDerWaalsContact O-N 3.09Å; A52-S56 PolarHBondContact O-OG 3.11Å; L53-S56 PolarHBondContact O-N 2.95Å
57C95.1Very high93.5Very high20 Ų2058.2 Ų58.214%0.13530%0.3CS..SBendtrans-109.2160.1-175-55.70000111.6D32 L53 L61D32-C57 HydrophobicContact CB-CB 4.43Å; D32-C57 VanDerWaalsContact OD2-CA 3.28Å; D32-C57 WeakPolarHBondContact OD2-CA 3.38Å; D32-C57 WeakPolarHBondContact OD2-CB 3.23Å; L53-C57 VanDerWaalsContact O-CB 3.32Å; L53-C57 WeakPolarHBondContact O-CB 3.26Å; L53-C57 PolarHBondContact O-N 3.01Å; L53-C57 PolarHBondContact O-SG 2.72Å; C57-L61 HydrophobicContact CB-CB 3.75Å; C57-L61 HydrophobicContact CB-CD1 3.84Å; C57-L61 HydrophobicContact CB-CD2 4.28Å; C57-L61 HydrophobicContact CB-CG 4.16Å
58S95.4Very high93.6Very high53 Ų5358 Ų5837%0.37130%0.296SS..  trans-76.6179.3-179.6860000112.8D32 R60 L61D32-S58 WeakPolarHBondContact OD1-CB 3.49Å; D32-S58 PolarHBondContact OD1-N 3.35Å; D32-S58 PolarHBondContact OD1-OG 2.92Å; D32-S58 PolarHBondContact OD2-N 3.11Å; S58-R60 PolarHBondContact O-N 3.24Å; S58-R60 WeakPolarHBondContact OG-CB 2.98Å; S58-R60 PolarHBondContact OG-N 2.97Å; S58-R60 VanDerWaalsContact OG-N 3.08Å; S58-L61 PolarHBondContact O-N 3.28Å
59S93.4Very high93.8Very high116 Ų11653.9 Ų53.981%0.81127%0.274SS*.THydrogen-bonded Turntrans-67.5-8.3172.857.60000114.2L61S59-L61 VanDerWaalsContact C-N 3.33Å
60R91.4Very high94.1Very high105 Ų10557.2 Ų57.240%0.39629%0.287SS..THydrogen-bonded Turntrans-76.9-21.8173.5-60.5-176.6178.1-81.42.6112.5G35 D37 V38 S58G35-R60 WeakPolarHBondContact O-CD 3.35Å; D37-R60 IonicContact OD1-NH1 3.11Å; D37-R60 PolarHBondContact OD1-NH1 3.4Å; D37-R60 VanDerWaalsContact OD1-NH1 3.11Å; V38-R60 PolarHBondContact N-O 2.98Å; S58-R60 PolarHBondContact O-N 3.24Å; S58-R60 WeakPolarHBondContact OG-CB 2.98Å; S58-R60 PolarHBondContact OG-N 2.97Å; S58-R60 VanDerWaalsContact OG-N 3.08Å
61L94.5Very high94.1Very high18 Ų1860.8 Ų60.89%0.09431%0.31CS..EExtended strand (participates in β ladder)trans-85.5114.8173.6-170.9142000110.7A28 D32 V38 A40 L53 C57 S58 S59 L63A28-L61 HydrophobicContact CB-CD1 4.07Å; D32-L61 HydrophobicContact CB-CB 4.44Å; D32-L61 HydrophobicContact CB-CD1 4.34Å; V38-L61 HydrophobicContact CB-CD1 4.29Å; V38-L61 HydrophobicContact CB-CG 4.35Å; V38-L61 HydrophobicContact CG1-CD1 4.14Å; V38-L61 HydrophobicContact CG1-CG 4.47Å; V38-L61 CarbonylContact O-C 3.58Å; V38-L61 VanDerWaalsContact O-CA 3.32Å; V38-L61 WeakPolarHBondContact O-CA 3.48Å; A40-L61 HydrophobicContact CB-CD1 4.02Å; A40-L61 HydrophobicContact CB-CD2 4.15Å; A40-L61 HydrophobicContact CB-CG 4.12Å; L53-L61 HydrophobicContact CB-CD2 4.34Å; L53-L61 HydrophobicContact CD2-CD1 4.44Å; C57-L61 HydrophobicContact CB-CB 3.75Å; C57-L61 HydrophobicContact CB-CD1 3.84Å; C57-L61 HydrophobicContact CB-CD2 4.28Å; C57-L61 HydrophobicContact CB-CG 4.16Å; S58-L61 PolarHBondContact O-N 3.28Å; S59-L61 VanDerWaalsContact C-N 3.33Å; L61-L63 HydrophobicContact CD2-CD2 3.71Å; L61-L63 HydrophobicContact CD2-CG 3.88Å
62T95.1Very high94.2Very high36 Ų3662.4 Ų62.422%0.22132%0.322CS..EExtended strand (participates in β ladder)trans-102127.1174-58.70000109.5V38 F39 A40 L64V38-T62 PolarHBondContact O-N 3.23Å; F39-T62 CarbonylContact C-O 3.53Å; F39-T62 WeakPolarHBondContact CA-O 3.32Å; F39-T62 HydrophobicContact CD1-CG2 4.17Å; F39-T62 HydrophobicContact CE1-CG2 4.38Å; A40-T62 PolarHBondContact N-O 2.97Å; T62-L64 HydrophobicContact CG2-CD2 4.32Å
63L95.9Very high94.3Very high26 Ų2663.6 Ų63.614%0.13632%0.321CS..EExtended strand (participates in β ladder)trans-91.5134.1175.1-68.6176.5000111.7A40 V42 L45 A50 L53 R54 L61A40-L63 HydrophobicContact CB-CD2 4.04Å; A40-L63 VanDerWaalsContact O-CA 3.28Å; A40-L63 WeakPolarHBondContact O-CA 3.42Å; V42-L63 HydrophobicContact CG1-CD2 4.27Å; L45-L63 HydrophobicContact CD2-CB 3.7Å; A50-L63 HydrophobicContact CB-CD1 4.17Å; A50-L63 WeakPolarHBondContact O-CD1 3.26Å; L53-L63 HydrophobicContact CB-CD1 4.43Å; L53-L63 HydrophobicContact CB-CD2 4.07Å; L53-L63 HydrophobicContact CD1-CD2 3.69Å; R54-L63 HydrophobicContact CG-CD1 3.44Å; R54-L63 VanDerWaalsContact CG-CD1 3.44Å; L61-L63 HydrophobicContact CD2-CD2 3.71Å; L61-L63 HydrophobicContact CD2-CG 3.88Å
64L94.9Very high94.4Very high14 Ų1463.6 Ų63.67%0.07332%0.321CS..EExtended strand (participates in β ladder)trans-123.4144.1171.3-53173000109.8F39 A40 T41 V42 T62 V66 A77 D80F39-L64 HydrophobicContact CB-CD1 4.4Å; F39-L64 HydrophobicContact CD1-CD1 4.29Å; A40-L64 PolarHBondContact O-N 3.43Å; A40-L64 VanDerWaalsContact O-N 3.09Å; T41-L64 CarbonylContact C-O 3.59Å; T41-L64 WeakPolarHBondContact CA-O 3.36Å; T41-L64 WeakPolarHBondContact CB-O 3.4Å; T41-L64 HydrophobicContact CG2-CB 4.02Å; T41-L64 HydrophobicContact CG2-CD1 4.41Å; V42-L64 PolarHBondContact N-O 2.84Å; T62-L64 HydrophobicContact CG2-CD2 4.32Å; L64-V66 HydrophobicContact CB-CG2 4.17Å; L64-A77 HydrophobicContact CD1-CB 4.14Å; L64-D80 HydrophobicContact CD2-CB 3.82Å
65Q94.4Very high94.4Very high88 Ų8861.6 Ų61.641%0.41132%0.317SS..EExtended strand (participates in β ladder)trans-87.7118.6171.5-156.3169.1-7100109.7V42 L43 L45V42-Q65 CarbonylContact O-C 3.59Å; V42-Q65 VanDerWaalsContact O-CA 3.3Å; V42-Q65 WeakPolarHBondContact O-CA 3.46Å; L43-Q65 WeakPolarHBondContact O-CG 3.27Å; L45-Q65 HydrophobicContact CD1-CB 3.78Å; L45-Q65 HydrophobicContact CG-CB 3.74Å; L45-Q65 HydrophobicContact CG-CG 4.27Å
66V93.8Very high94.5Very high3 Ų356.3 Ų56.32%0.01830%0.301CS..  trans-145.3116.7-178.4-172.60000111.3T41 V42 L64 I68 Q73 V74 A77T41-V66 HydrophobicContact CG2-CB 4.32Å; T41-V66 HydrophobicContact CG2-CG2 3.78Å; V42-V66 PolarHBondContact O-N 3.31Å; L64-V66 HydrophobicContact CB-CG2 4.17Å; V66-I68 HydrophobicContact CG1-CG2 4.09Å; V66-Q73 HydrophobicContact CG1-CB 4.49Å; V66-V74 HydrophobicContact CG1-CG2 4.27Å; V66-A77 HydrophobicContact CG2-CB 3.48Å; V66-A77 VanDerWaalsContact CG2-CB 3.48Å
67D93.8Very high94.5Very high50 Ų5053.2 Ų53.227%0.26728%0.28SS..  trans-91.7114.9154.4-175.8-13.5000109.2L43 T69 Q70L43-D67 HydrophobicContact CD2-CB 4.23Å; D67-T69 PolarHBondContact O-N 2.88Å; D67-T69 WeakPolarHBondContact OD1-CB 3.3Å; D67-T69 WeakPolarHBondContact OD1-CG2 3.3Å; D67-T69 PolarHBondContact OD1-N 2.83Å; D67-T69 PolarHBondContact OD1-OG1 2.84Å; D67-T69 PolarHBondContact OD2-OG1 3.26Å; D67-T69 VanDerWaalsContact OD2-OG1 3.14Å; D67-Q70 HydrophobicContact CB-CB 4.39Å; D67-Q70 HydrophobicContact CB-CG 3.95Å; D67-Q70 WeakPolarHBondContact O-CB 3.16Å; D67-Q70 PolarHBondContact O-N 2.91Å
68I93.9Very high94.4Very high10 Ų1052.6 Ų52.65%0.05128%0.276CS..THydrogen-bonded Turntrans-70.4-13.7-176.861.9167.6000113.6P16 A17 V66 A98 V121 G125 V129P16-I68 WeakPolarHBondContact O-CG2 3.4Å; A17-I68 HydrophobicContact CB-CG2 3.54Å; V66-I68 HydrophobicContact CG1-CG2 4.09Å; I68-A98 HydrophobicContact CD1-CB 3.43Å; I68-A98 VanDerWaalsContact CD1-CB 3.43Å; I68-A98 HydrophobicContact CG1-CB 4.41Å; I68-V121 HydrophobicContact CD1-CG1 4.19Å; I68-V121 WeakPolarHBondContact CD1-O 3.3Å; I68-G125 WeakPolarHBondContact O-CA 3.34Å; I68-V129 HydrophobicContact CB-CG2 3.96Å; I68-V129 HydrophobicContact CG2-CG2 3.59Å
69T94Very high94.4Very high29 Ų2954 Ų5418%0.17828%0.278CS..THydrogen-bonded Turntrans-78.7-9171.972.20000112.1D67 P71 E120 V121D67-T69 PolarHBondContact O-N 2.88Å; D67-T69 WeakPolarHBondContact OD1-CB 3.3Å; D67-T69 WeakPolarHBondContact OD1-CG2 3.3Å; D67-T69 PolarHBondContact OD1-N 2.83Å; D67-T69 PolarHBondContact OD1-OG1 2.84Å; D67-T69 PolarHBondContact OD2-OG1 3.26Å; D67-T69 VanDerWaalsContact OD2-OG1 3.14Å; T69-P71 WeakPolarHBondContact O-CD 3.17Å; T69-E120 HydrophobicContact CG2-CG 4.04Å; T69-V121 HydrophobicContact CG2-CG2 3.71Å
70Q95.6Very high94.3Very high82 Ų8251.5 Ų51.538%0.38326%0.256SS..  trans-108.5100-179.3-58.2-56.6-50.700109.9D67 Q72 Q73 V74D67-Q70 HydrophobicContact CB-CB 4.39Å; D67-Q70 HydrophobicContact CB-CG 3.95Å; D67-Q70 WeakPolarHBondContact O-CB 3.16Å; D67-Q70 PolarHBondContact O-N 2.91Å; Q70-Q72 PolarHBondContact O-N 3.02Å; Q70-Q73 HydrophobicContact CB-CB 4.14Å; Q70-Q73 HydrophobicContact CB-CG 3.83Å; Q70-Q73 PolarHBondContact O-N 3.34Å; Q70-V74 PolarHBondContact O-N 3.47Å
71P92.6Very high94.4Very high75 Ų7546.5 Ų46.549%0.48724%0.237SC..Hα-helixtrans-55.1-32.9-175.7-27.535.3000113.9T69 V74 Q75T69-P71 WeakPolarHBondContact O-CD 3.17Å; P71-V74 PolarHBondContact O-N 2.82Å; P71-Q75 WeakPolarHBondContact O-CB 3.4Å; P71-Q75 PolarHBondContact O-N 3.38Å
72Q95.3Very high94.3Very high137 Ų13749.6 Ų49.664%0.6425%0.25SC*.Hα-helixtrans-66.3-37.7178.3-60.278.85.300111.6Q70 Q75 Q76Q70-Q72 PolarHBondContact O-N 3.02Å; Q72-Q75 PolarHBondContact O-N 3.4Å; Q72-Q76 WeakPolarHBondContact O-CB 3.39Å; Q72-Q76 PolarHBondContact O-N 3.47Å
73Q95.3Very high94.1Very high63 Ų6351.9 Ų51.929%0.29427%0.273SS..Hα-helixtrans-71.3-39.5176.9-62.5-169.93200111.4V66 Q70 Q75 Q76 A77V66-Q73 HydrophobicContact CG1-CB 4.49Å; Q70-Q73 HydrophobicContact CB-CB 4.14Å; Q70-Q73 HydrophobicContact CB-CG 3.83Å; Q70-Q73 PolarHBondContact O-N 3.34Å; Q73-Q75 VanDerWaalsContact C-N 3.32Å; Q73-Q75 PolarHBondContact O-N 3.09Å; Q73-Q76 PolarHBondContact O-N 3.37Å; Q73-A77 WeakPolarHBondContact O-CB 3.3Å; Q73-A77 PolarHBondContact O-N 3.39Å
74V95.6Very high93.8Very high1 Ų157.3 Ų57.31%0.00630%0.295CS..Hα-helixtrans-60.4-43.8173.4177.70000110.9V66 Q70 P71 A77 L78 V129V66-V74 HydrophobicContact CG1-CG2 4.27Å; Q70-V74 PolarHBondContact O-N 3.47Å; P71-V74 PolarHBondContact O-N 2.82Å; V74-A77 PolarHBondContact O-N 2.91Å; V74-L78 PolarHBondContact O-N 2.75Å; V74-V129 HydrophobicContact CG1-CG2 3.96Å; V74-V129 HydrophobicContact CG2-CG2 3.9Å
75Q94.8Very high93.5Very high89 Ų8957.8 Ų57.842%0.41630%0.297SS..Hα-helixtrans-64.5-42177.1-177.161.12700111.8P71 Q72 Q73 L78 L79P71-Q75 WeakPolarHBondContact O-CB 3.4Å; P71-Q75 PolarHBondContact O-N 3.38Å; Q72-Q75 PolarHBondContact O-N 3.4Å; Q73-Q75 VanDerWaalsContact C-N 3.32Å; Q73-Q75 PolarHBondContact O-N 3.09Å; Q75-L78 WeakPolarHBondContact O-CB 3.36Å; Q75-L78 PolarHBondContact O-N 3.11Å; Q75-L79 WeakPolarHBondContact O-CG 3.25Å; Q75-L79 PolarHBondContact O-N 2.79Å; Q75-L79 VanDerWaalsContact O-N 3.1Å
76Q95Very high92.9Very high98 Ų9855.4 Ų55.446%0.45830%0.296SS..Hα-helixtrans-62.9-44.5176.3-172.558.94900111.3Q72 Q73 L78 L79 D80Q72-Q76 WeakPolarHBondContact O-CB 3.39Å; Q72-Q76 PolarHBondContact O-N 3.47Å; Q73-Q76 PolarHBondContact O-N 3.37Å; Q76-L78 VanDerWaalsContact C-N 3.26Å; Q76-L78 PolarHBondContact O-N 2.95Å; Q76-L79 WeakPolarHBondContact O-CB 3.33Å; Q76-L79 PolarHBondContact O-N 3.38Å; Q76-D80 PolarHBondContact NE2-OD1 2.76Å; Q76-D80 VanDerWaalsContact O-CG 3.32Å; Q76-D80 PolarHBondContact O-N 2.89Å
77A93.9Very high91.6Very high4 Ų463.9 Ų63.93%0.03334%0.341CS..Hα-helixtrans-59.2-38176.700000112.6L64 V66 Q73 V74 T81 F133L64-A77 HydrophobicContact CD1-CB 4.14Å; V66-A77 HydrophobicContact CG2-CB 3.48Å; V66-A77 VanDerWaalsContact CG2-CB 3.48Å; Q73-A77 WeakPolarHBondContact O-CB 3.3Å; Q73-A77 PolarHBondContact O-N 3.39Å; V74-A77 PolarHBondContact O-N 2.91Å; A77-T81 VanDerWaalsContact O-CB 3.26Å; A77-T81 WeakPolarHBondContact O-CB 3.4Å; A77-T81 PolarHBondContact O-N 2.86Å; A77-T81 PolarHBondContact O-OG1 3.38Å; A77-F133 HydrophobicContact CB-CZ 4.37Å
78L94.2Very high90Very high8 Ų872.7 Ų72.74%0.04237%0.37CS..Hα-helixtrans-62.6-43.4173.5176.966.6000111.7V74 Q75 Q76 K82 S132 F133 L136V74-L78 PolarHBondContact O-N 2.75Å; Q75-L78 WeakPolarHBondContact O-CB 3.36Å; Q75-L78 PolarHBondContact O-N 3.11Å; Q76-L78 VanDerWaalsContact C-N 3.26Å; Q76-L78 PolarHBondContact O-N 2.95Å; L78-K82 HydrophobicContact CG-CD 4.36Å; L78-K82 WeakPolarHBondContact O-CB 3.42Å; L78-K82 VanDerWaalsContact O-CG 3.3Å; L78-K82 WeakPolarHBondContact O-CG 3.34Å; L78-K82 PolarHBondContact O-N 3.33Å; L78-S132 VanDerWaalsContact CD2-O 3.31Å; L78-S132 WeakPolarHBondContact CD2-O 3.34Å; L78-F133 HydrophobicContact CB-CE2 4.21Å; L78-F133 HydrophobicContact CB-CZ 4.16Å; L78-F133 HydrophobicContact CD1-CD1 3.95Å; L78-F133 HydrophobicContact CD1-CD2 4.42Å; L78-F133 HydrophobicContact CD1-CE1 4.09Å; L78-F133 HydrophobicContact CD1-CG 4.15Å; L78-F133 HydrophobicContact CD1-CZ 4.38Å; L78-L136 HydrophobicContact CD1-CD1 3.64Å; L78-L136 HydrophobicContact CD1-CG 4.25Å
79L94.3Very high89.1Confident81 Ų8174 Ų7442%0.42438%0.383SS..Hα-helixtrans-64.7-45.7178.1-66.7174.9000111.4Q75 Q76 T81 K82 A83Q75-L79 WeakPolarHBondContact O-CG 3.25Å; Q75-L79 PolarHBondContact O-N 2.79Å; Q75-L79 VanDerWaalsContact O-N 3.1Å; Q76-L79 WeakPolarHBondContact O-CB 3.33Å; Q76-L79 PolarHBondContact O-N 3.38Å; L79-T81 VanDerWaalsContact C-N 3.33Å; L79-T81 PolarHBondContact O-N 3.41Å; L79-K82 WeakPolarHBondContact O-CB 3.27Å; L79-K82 PolarHBondContact O-N 2.83Å; L79-A83 WeakPolarHBondContact O-CB 3.47Å; L79-A83 PolarHBondContact O-N 3.48Å
80D93Very high89Confident64 Ų6473.4 Ų73.434%0.34238%0.382SS..Hα-helixtrans-63.7-41.4178.7-63-17.4000111.1L64 Q76 A83 K84L64-D80 HydrophobicContact CD2-CB 3.82Å; Q76-D80 PolarHBondContact NE2-OD1 2.76Å; Q76-D80 VanDerWaalsContact O-CG 3.32Å; Q76-D80 PolarHBondContact O-N 2.89Å; D80-A83 PolarHBondContact O-N 3.25Å; D80-K84 PolarHBondContact O-N 3.03Å
81T92.6Very high88.9Confident0 Ų069.5 Ų69.50%036%0.364CS..Hα-helixtrans-60.4-47.6174.2-590000110.7F39 A77 L79 A83 K84 L85 L91 F133 L136F39-T81 HydrophobicContact CD1-CG2 4.41Å; F39-T81 HydrophobicContact CD2-CG2 3.95Å; F39-T81 HydrophobicContact CE1-CG2 4.29Å; F39-T81 HydrophobicContact CE2-CG2 3.83Å; F39-T81 HydrophobicContact CG-CG2 4.24Å; F39-T81 HydrophobicContact CZ-CG2 4Å; A77-T81 VanDerWaalsContact O-CB 3.26Å; A77-T81 WeakPolarHBondContact O-CB 3.4Å; A77-T81 PolarHBondContact O-N 2.86Å; A77-T81 PolarHBondContact O-OG1 3.38Å; L79-T81 VanDerWaalsContact C-N 3.33Å; L79-T81 PolarHBondContact O-N 3.41Å; T81-A83 PolarHBondContact O-N 3.07Å; T81-K84 PolarHBondContact O-N 3.41Å; T81-L85 HydrophobicContact CG2-CD1 3.78Å; T81-L85 HydrophobicContact CG2-CG 4.2Å; T81-L85 WeakPolarHBondContact O-CB 3.47Å; T81-L85 VanDerWaalsContact O-CG 3.27Å; T81-L85 WeakPolarHBondContact O-CG 3.26Å; T81-L85 PolarHBondContact O-N 2.98Å; T81-L91 HydrophobicContact CG2-CD1 4.48Å; T81-F133 HydrophobicContact CG2-CE1 4.11Å; T81-L136 HydrophobicContact CG2-CD1 4.27Å
82K92.1Very high89.1Confident83 Ų8367.2 Ų67.236%0.36135%0.345SS..Hα-helixtrans-60.4-43.4177-78.5175.41791780112.4L78 L79 K84 L85 G86 L136L78-K82 HydrophobicContact CG-CD 4.36Å; L78-K82 WeakPolarHBondContact O-CB 3.42Å; L78-K82 VanDerWaalsContact O-CG 3.3Å; L78-K82 WeakPolarHBondContact O-CG 3.34Å; L78-K82 PolarHBondContact O-N 3.33Å; L79-K82 WeakPolarHBondContact O-CB 3.27Å; L79-K82 PolarHBondContact O-N 2.83Å; K82-K84 VanDerWaalsContact C-N 3.28Å; K82-K84 PolarHBondContact O-N 3.46Å; K82-L85 PolarHBondContact O-N 3.31Å; K82-G86 PolarHBondContact O-N 2.62Å; K82-L136 HydrophobicContact CG-CD1 4.05Å; K82-L136 HydrophobicContact CG-CD2 3.99Å
83A91.7Very high89.1Confident85 Ų8560.7 Ų60.770%0.70232%0.315SS*.Hα-helixtrans-61.1-40.2179.500000111.4L79 D80 T81L79-A83 WeakPolarHBondContact O-CB 3.47Å; L79-A83 PolarHBondContact O-N 3.48Å; D80-A83 PolarHBondContact O-N 3.25Å; T81-A83 PolarHBondContact O-N 3.07Å
84K89.3Confident89.2Confident139 Ų13957.7 Ų57.760%0.60430%0.301SS*.Hα-helixtrans-75.2-38.1178.9-172.967.5171.4-176.30113.3F39 D80 T81 K82 G86F39-K84 HydrophobicContact CE1-CB 3.61Å; F39-K84 HydrophobicContact CE1-CG 3.64Å; F39-K84 HydrophobicContact CZ-CB 3.7Å; F39-K84 HydrophobicContact CZ-CG 3.65Å; D80-K84 PolarHBondContact O-N 3.03Å; T81-K84 PolarHBondContact O-N 3.41Å; K82-K84 VanDerWaalsContact C-N 3.28Å; K82-K84 PolarHBondContact O-N 3.46Å; K84-G86 VanDerWaalsContact C-N 3.34Å
85L87.6Confident89.4Confident24 Ų2457.7 Ų57.713%0.12630%0.301CS..Hα-helixtrans-67.6-33.5176.2-77.1-178.5000112.7S12 F39 T81 K82 A89 L91 L136S12-L85 VanDerWaalsContact CB-CD2 3.46Å; S12-L85 WeakPolarHBondContact OG-CD2 3.49Å; F39-L85 HydrophobicContact CE2-CD2 4.04Å; F39-L85 HydrophobicContact CE2-CG 4.14Å; F39-L85 HydrophobicContact CZ-CD2 4.33Å; F39-L85 HydrophobicContact CZ-CG 4.17Å; T81-L85 HydrophobicContact CG2-CD1 3.78Å; T81-L85 HydrophobicContact CG2-CG 4.2Å; T81-L85 WeakPolarHBondContact O-CB 3.47Å; T81-L85 VanDerWaalsContact O-CG 3.27Å; T81-L85 WeakPolarHBondContact O-CG 3.26Å; T81-L85 PolarHBondContact O-N 2.98Å; K82-L85 PolarHBondContact O-N 3.31Å; L85-A89 HydrophobicContact CB-CB 4.07Å; L85-A89 HydrophobicContact CD2-CB 4.19Å; L85-A89 WeakPolarHBondContact O-CB 3.41Å; L85-L91 HydrophobicContact CD1-CB 4.44Å; L85-L136 HydrophobicContact CD1-CD1 4.26Å
86G83.4Confident89.4Confident38 Ų3853.8 Ų53.839%0.39228%0.283SS..  trans78.9178.2-174.100000113.4K82 K84 R88K82-G86 PolarHBondContact O-N 2.62Å; K84-G86 VanDerWaalsContact C-N 3.34Å; G86-R88 VanDerWaalsContact C-N 3.25Å; G86-R88 PolarHBondContact O-N 3.24Å; G86-R88 VanDerWaalsContact O-N 3.11Å
87L65.3Low89.3Confident181 Ų18150 Ų5095%0.94827%0.266SS*.THydrogen-bonded Turntrans-68.9-11.9-165.1-67.6169.1000115.8
88R59.9Low88.9Confident236 Ų23650.5 Ų50.589%0.89127%0.269SS*.THydrogen-bonded Turntrans-124.4-4.4-173.6-67.8-171.5178.31730.6115G86 Q139G86-R88 VanDerWaalsContact C-N 3.25Å; G86-R88 PolarHBondContact O-N 3.24Å; G86-R88 VanDerWaalsContact O-N 3.11Å; R88-Q139 PolarHBondContact O-NE2 3.34Å
89A76.3Confident88.5Confident38 Ų3851.9 Ų51.931%0.31429%0.286SS..PPolyproline II helixtrans-96.8124.8-178.600000111.2L85L85-A89 HydrophobicContact CB-CB 4.07Å; L85-A89 HydrophobicContact CD2-CB 4.19Å; L85-A89 WeakPolarHBondContact O-CB 3.41Å
90G90.3Very high88.2Confident15 Ų1550.5 Ų50.516%0.15528%0.281CS..PPolyproline II helixtrans-80.2173165.400000111.2L136G90-L136 WeakPolarHBondContact CA-O 3.45Å
91L94.5Very high87.8Confident0 Ų049.2 Ų49.20%028%0.276CS..PPolyproline II helixtrans-94.5121.3174.6-176.672.5000108.8S12 C14 F39 T81 L85 L94 F133 L136 L137 A140S12-L91 VanDerWaalsContact O-CD1 3.3Å; S12-L91 WeakPolarHBondContact O-CD1 3.36Å; C14-L91 HydrophobicContact CB-CD1 4.07Å; C14-L91 HydrophobicContact CB-CD2 3.68Å; C14-L91 HydrophobicContact CB-CG 4.49Å; F39-L91 HydrophobicContact CD2-CD1 4.42Å; T81-L91 HydrophobicContact CG2-CD1 4.48Å; L85-L91 HydrophobicContact CD1-CB 4.44Å; L91-L94 HydrophobicContact CD2-CD1 4.35Å; L91-F133 HydrophobicContact CD2-CD1 3.76Å; L91-F133 HydrophobicContact CD2-CE1 4.47Å; L91-L136 HydrophobicContact CB-CB 3.66Å; L91-L136 HydrophobicContact CB-CD1 4.41Å; L91-L136 PolarHBondContact N-O 2.75Å; L91-L137 HydrophobicContact CD2-CD2 4.35Å; L91-L137 HydrophobicContact CG-CD2 4.49Å; L91-L137 WeakPolarHBondContact O-CD2 3.3Å; L91-A140 VanDerWaalsContact O-CB 3.26Å; L91-A140 WeakPolarHBondContact O-CB 3.48Å
92W96.3Very high87.2Confident28 Ų2850.3 Ų50.311%0.10628%0.283CS..  trans-69.8-39.2-178.5173.6-114.4000112.6F11 S12 L13 G142 R143 L259F11-W92 HydrophobicContact CB-CB 3.94Å; F11-W92 HydrophobicContact CB-CG 3.91Å; F11-W92 HydrophobicContact CD1-CB 3.61Å; F11-W92 AromaticContact CD1-CD1 3.8Å; F11-W92 AromaticContact CD1-CD2 3.4Å; F11-W92 HydrophobicContact CD1-CD2 3.4Å; F11-W92 VanDerWaalsContact CD1-CD2 3.4Å; F11-W92 AromaticContact CD1-CE2 3.97Å; F11-W92 AromaticContact CD1-CE3 3.79Å; F11-W92 HydrophobicContact CD1-CE3 3.79Å; F11-W92 AromaticContact CD1-CG 3.3Å; F11-W92 HydrophobicContact CD1-CG 3.3Å; F11-W92 AromaticContact CE1-CD2 3.5Å; F11-W92 HydrophobicContact CE1-CD2 3.5Å; F11-W92 VanDerWaalsContact CE1-CD2 3.5Å; F11-W92 AromaticContact CE1-CE2 3.89Å; F11-W92 AromaticContact CE1-CE3 3.51Å; F11-W92 HydrophobicContact CE1-CE3 3.51Å; F11-W92 AromaticContact CE1-CG 3.95Å; F11-W92 HydrophobicContact CE1-CG 3.95Å; F11-W92 HydrophobicContact CE1-CH2 4.18Å; F11-W92 HydrophobicContact CE1-CZ2 4.23Å; F11-W92 AromaticContact CE1-CZ3 3.86Å; F11-W92 HydrophobicContact CE1-CZ3 3.86Å; F11-W92 HydrophobicContact CG-CB 4.15Å; F11-W92 AromaticContact CG-CD1 3.79Å; F11-W92 HydrophobicContact CG-CD2 4.15Å; F11-W92 AromaticContact CG-CG 3.76Å; F11-W92 HydrophobicContact CG-CG 3.76Å; F11-W92 HydrophobicContact CZ-CD2 4.32Å; F11-W92 HydrophobicContact CZ-CE3 4.43Å; F11-W92 HydrophobicContact CZ-CH2 4.37Å; F11-W92 HydrophobicContact CZ-CZ2 4.31Å; F11-W92 HydrophobicContact CZ-CZ3 4.46Å; S12-W92 WeakPolarHBondContact O-CA 3.47Å; S12-W92 WeakPolarHBondContact O-CB 3.41Å; S12-W92 PolarHBondContact O-N 2.94Å; L13-W92 HydrophobicContact CD2-CG 4.48Å; W92-G142 CarbonylContact O-C 3.54Å; W92-G142 VanDerWaalsContact O-C 3.29Å; W92-G142 WeakPolarHBondContact O-CA 3.42Å; W92-R143 VanDerWaalsContact CH2-CZ 3.5Å; W92-R143 VanDerWaalsContact CH2-NH2 3.25Å; W92-R143 HydrophobicContact CZ2-CG 4.13Å; W92-R143 PolarHBondContact O-N 3.41Å; W92-L259 WeakPolarHBondContact CZ2-O 3.37Å; W92-L259 PolarHBondContact NE1-O 3.2Å
93G96.3Very high86.4Confident0 Ų046.9 Ų46.90%027%0.269CS..EExtended strand (participates in β ladder)trans-146.8144.2-174.100000114S12 L13 C14 R143S12-G93 PolarHBondContact O-N 2.91Å; L13-G93 CarbonylContact C-O 3.29Å; L13-G93 WeakPolarHBondContact CA-O 3.48Å; L13-G93 VanDerWaalsContact CD2-CA 3.44Å; C14-G93 PolarHBondContact N-O 2.64Å; G93-R143 CarbonylContact C-O 3.51Å; G93-R143 VanDerWaalsContact CA-O 3.25Å; G93-R143 WeakPolarHBondContact CA-O 3.17Å
94L97.9Very high86Confident0 Ų043.6 Ų43.60%024%0.239CC..EExtended strand (participates in β ladder)trans-124.6121.3174.2-175.573.5000109C14 P16 L91 V129 F133 L137 R143 I144 V145C14-L94 HydrophobicContact CB-CD1 4.02Å; C14-L94 CarbonylContact O-C 3.56Å; C14-L94 WeakPolarHBondContact O-CA 3.45Å; P16-L94 HydrophobicContact CB-CD1 4.45Å; P16-L94 HydrophobicContact CG-CD1 3.66Å; P16-L94 HydrophobicContact CG-CG 4.35Å; L91-L94 HydrophobicContact CD2-CD1 4.35Å; L94-V129 HydrophobicContact CD1-CG1 4.24Å; L94-V129 HydrophobicContact CD2-CG1 4.34Å; L94-F133 HydrophobicContact CD1-CB 4.18Å; L94-F133 HydrophobicContact CD1-CD1 4.48Å; L94-F133 HydrophobicContact CD1-CG 4.16Å; L94-F133 HydrophobicContact CD2-CB 4.23Å; L94-L137 HydrophobicContact CB-CD1 3.92Å; L94-L137 HydrophobicContact CB-CD2 4Å; L94-L137 HydrophobicContact CB-CG 4.49Å; L94-L137 HydrophobicContact CD2-CD1 3.94Å; L94-R143 PolarHBondContact N-O 3.33Å; L94-I144 CarbonylContact O-C 3.58Å; L94-I144 WeakPolarHBondContact O-CA 3.17Å; L94-V145 PolarHBondContact O-N 2.81Å
95V97.8Very high85.8Confident0 Ų037.1 Ų37.10%021%0.211CC..EExtended strand (participates in β ladder)trans-110.795.7178.1-173.50000109.9C14 V15 P16 N97 V145 I147 I255 L259C14-V95 PolarHBondContact O-N 3.49Å; V15-V95 HydrophobicContact CG1-CB 4.32Å; V15-V95 HydrophobicContact CG2-CB 4.15Å; V15-V95 HydrophobicContact CG2-CG2 4.39Å; P16-V95 VanDerWaalsContact CD-O 3.31Å; P16-V95 WeakPolarHBondContact CD-O 3.37Å; V95-N97 HydrophobicContact CG1-CB 4.39Å; V95-N97 PolarHBondContact O-N 3.22Å; V95-V145 CarbonylContact C-O 3.56Å; V95-V145 WeakPolarHBondContact CA-O 3.28Å; V95-V145 HydrophobicContact CG1-CB 4.43Å; V95-V145 HydrophobicContact CG1-CG1 4.48Å; V95-V145 HydrophobicContact CG2-CB 4.35Å; V95-I147 HydrophobicContact CG1-CD1 4.48Å; V95-I147 HydrophobicContact CG1-CG1 4.47Å; V95-I255 HydrophobicContact CG1-CD1 4.41Å; V95-I255 HydrophobicContact CG1-CG2 4.2Å; V95-I255 HydrophobicContact CG2-CG2 3.99Å; V95-L259 HydrophobicContact CG2-CD1 3.84Å; V95-L259 HydrophobicContact CG2-CD2 4.24Å; V95-L259 HydrophobicContact CG2-CG 4.44Å
96N96.6Very high85.9Confident7 Ų737.5 Ų37.54%0.03721%0.214CC..EExtended strand (participates in β ladder)trans-7693.4174.3-64.3-52.8000109.5T126 V129 T130 V145 N146 I147N96-T126 HydrophobicContact CB-CG2 3.72Å; N96-V129 WeakPolarHBondContact OD1-CG1 3.42Å; N96-T130 PolarHBondContact ND2-OG1 3.11Å; N96-V145 PolarHBondContact N-O 2.89Å; N96-N146 WeakPolarHBondContact CB-OD1 3.47Å; N96-N146 PolarHBondContact ND2-OD1 2.97Å; N96-I147 PolarHBondContact O-N 3.36Å
97N92.1Very high86.4Confident20 Ų2038.6 Ų38.611%0.10722%0.219CC..  trans-100-26.1-175.6164.378.8000114V15 A17 G18 G24 V95 G99 I147V15-N97 HydrophobicContact CG1-CB 4.27Å; A17-N97 PolarHBondContact O-ND2 3.45Å; A17-N97 VanDerWaalsContact O-ND2 3.11Å; G18-N97 PolarHBondContact O-ND2 3.07Å; G24-N97 PolarHBondContact N-OD1 3.29Å; V95-N97 HydrophobicContact CG1-CB 4.39Å; V95-N97 PolarHBondContact O-N 3.22Å; N97-G99 PolarHBondContact O-N 2.9Å; N97-I147 HydrophobicContact CB-CG1 3.97Å
98A84.8Confident87.7Confident13 Ų1335.6 Ų35.611%0.10720%0.201CC..  trans-55.5136.7-174.900000113.1A17 I68A17-A98 HydrophobicContact CB-CB 3.58Å; I68-A98 HydrophobicContact CD1-CB 3.43Å; I68-A98 VanDerWaalsContact CD1-CB 3.43Å; I68-A98 HydrophobicContact CG1-CB 4.41Å
99G85.9Confident89.3Confident38 Ų3824.5 Ų24.539%0.39216%0.159SC..  trans-167.1144.8172.200000112N97 N122N97-G99 PolarHBondContact O-N 2.9Å; G99-N122 WeakPolarHBondContact CA-OD1 3.45Å
100V87.9Confident90Very high51 Ų5123.3 Ų23.331%0.30915%0.148SC..  trans-122.4135.3172.4-62.20000109.3V102 C118 V121 N122 Y162V100-V102 HydrophobicContact CB-CG1 4.15Å; V100-V102 HydrophobicContact CG2-CG1 4.17Å; V100-C118 PolarHBondContact O-SG 3.37Å; V100-V121 HydrophobicContact CG1-CG1 4.16Å; V100-V121 HydrophobicContact CG1-CG2 4.47Å; V100-V121 HydrophobicContact CG2-CB 3.85Å; V100-V121 HydrophobicContact CG2-CG1 4.23Å; V100-V121 HydrophobicContact CG2-CG2 3.96Å; V100-N122 PolarHBondContact N-OD1 2.78Å; V100-N122 PolarHBondContact O-ND2 3.21Å; V100-N122 PolarHBondContact O-OD1 3.43Å; V100-Y162 WeakPolarHBondContact O-CD2 3.28Å
101C85.9Confident90.1Very high37 Ų3724.4 Ų24.425%0.2515%0.15CC..  trans-110.4117.4163.8-175.80000105.6Y162 W206C101-Y162 HydrophobicContact CB-CD2 3.64Å; C101-Y162 HydrophobicContact CB-CE2 4Å; C101-Y162 HydrophobicContact CB-CG 4.02Å; C101-W206 WeakPolarHBondContact O-CH2 3.42Å
102V79.5Confident90Very high23 Ų2330 Ų3014%0.13918%0.178CC..  trans-120.6136.3-178-51.30000108.7V100 N114V100-V102 HydrophobicContact CB-CG1 4.15Å; V100-V102 HydrophobicContact CG2-CG1 4.17Å; V102-N114 HydrophobicContact CG2-CB 3.73Å
103N75.3Confident89.8Confident12 Ų1232 Ų326%0.06420%0.196CC..  trans56.7139.6-179.6-72.7-43.4000115.2N114 Q209N103-N114 VanDerWaalsContact CB-ND2 3.34Å; N103-N114 WeakPolarHBondContact CB-ND2 3.46Å; N103-N114 PolarHBondContact ND2-ND2 2.85Å; N103-N114 PolarHBondContact ND2-OD1 3.28Å; N103-Q209 WeakPolarHBondContact OD1-CB 3.39Å; N103-Q209 PolarHBondContact OD1-O 2.94Å
104L82.8Confident89.6Confident16 Ų1632.5 Ų32.58%0.08420%0.199CC..  trans-121.9114.6-176.6-62.2162.8000106.7L159 W206 F237L104-L159 HydrophobicContact CD2-CD2 3.43Å; L104-L159 VanDerWaalsContact CD2-CD2 3.43Å; L104-W206 HydrophobicContact CD1-CD2 4.27Å; L104-W206 HydrophobicContact CD1-CE3 3.79Å; L104-W206 HydrophobicContact CD1-CH2 4.13Å; L104-W206 HydrophobicContact CD1-CZ3 3.72Å; L104-W206 HydrophobicContact CD2-CH2 4.47Å; L104-W206 HydrophobicContact CD2-CZ3 4.48Å; L104-W206 HydrophobicContact CG-CE3 4.28Å; L104-W206 HydrophobicContact CG-CH2 4.21Å; L104-W206 HydrophobicContact CG-CZ3 3.77Å; L104-F237 HydrophobicContact CB-CD2 4.16Å; L104-F237 HydrophobicContact CB-CG 4.24Å; L104-F237 HydrophobicContact CD1-CB 3.3Å; L104-F237 HydrophobicContact CD1-CD1 4.16Å; L104-F237 HydrophobicContact CD1-CD2 4.41Å; L104-F237 HydrophobicContact CD1-CG 3.72Å; L104-F237 HydrophobicContact CD2-CB 4.26Å; L104-F237 HydrophobicContact CD2-CD1 3.47Å; L104-F237 VanDerWaalsContact CD2-CD1 3.47Å; L104-F237 HydrophobicContact CD2-CD2 4.23Å; L104-F237 HydrophobicContact CD2-CE1 3.76Å; L104-F237 HydrophobicContact CD2-CE2 4.48Å; L104-F237 HydrophobicContact CD2-CG 3.72Å; L104-F237 HydrophobicContact CD2-CZ 4.26Å; L104-F237 HydrophobicContact CG-CB 4.19Å; L104-F237 HydrophobicContact CG-CD1 4.3Å; L104-F237 HydrophobicContact CG-CD2 4.47Å; L104-F237 HydrophobicContact CG-CG 4.07Å
105G85.9Confident89.5Confident2 Ų234.8 Ų34.82%0.02121%0.209CC..BIsolated β-bridgetrans174.4158.5-171.500000112.3S110 C158G105-S110 PolarHBondContact O-OG 3.49Å; G105-C158 PolarHBondContact N-O 3.46Å; G105-C158 VanDerWaalsContact N-O 3.1Å; G105-C158 CarbonylContact O-C 3.31Å; G105-C158 VanDerWaalsContact O-C 3.31Å; G105-C158 WeakPolarHBondContact O-CA 3.34Å
106D90.3Very high89.4Confident32 Ų3243.2 Ų43.217%0.17124%0.241CC..  trans-53.5154.1176.8-62.7-7.4000110.6E108 L109 S110 C158 Y225 Y229D106-E108 PolarHBondContact O-N 3.29Å; D106-L109 HydrophobicContact CB-CD1 4.17Å; D106-L109 HydrophobicContact CB-CG 4.32Å; D106-L109 PolarHBondContact O-N 2.98Å; D106-S110 PolarHBondContact O-N 2.91Å; D106-S110 PolarHBondContact O-OG 3.08Å; D106-S110 VanDerWaalsContact O-OG 3.1Å; D106-C158 PolarHBondContact OD1-SG 2.94Å; D106-C158 VanDerWaalsContact OD1-SG 3.35Å; D106-Y225 WeakPolarHBondContact OD2-CE1 3.49Å; D106-Y229 WeakPolarHBondContact OD2-CE1 3.35Å; D106-Y229 PolarHBondContact OD2-OH 3.25Å
107A92.2Very high89.3Confident62 Ų6244.2 Ų44.251%0.51225%0.253SS..THydrogen-bonded Turntrans-57.8-36.9-173.900000112.4S110 A160A107-S110 WeakPolarHBondContact O-CB 3.33Å; A107-S110 PolarHBondContact O-N 3Å; A107-A160 HydrophobicContact CB-CB 3.68Å
108E94.2Very high89.4Confident118 Ų11843.3 Ų43.355%0.55125%0.248SC*.THydrogen-bonded Turntrans-68.8-33.2176.8-179.7166.3-146.300113.2D106 S110 L221 Y225D106-E108 PolarHBondContact O-N 3.29Å; E108-S110 VanDerWaalsContact C-N 3.29Å; E108-L221 HydrophobicContact CG-CD1 4.21Å; E108-L221 HydrophobicContact CG-CD2 3.93Å; E108-Y225 PolarHBondContact OE2-OH 3.49Å
109L92.4Very high90Very high2 Ų244.9 Ų44.91%0.0125%0.254CS..THydrogen-bonded Turntrans-78.9-16.4176.6-62.1175.5000112.2D106 L111 L213 L217 L221 Y225 Y229 I230D106-L109 HydrophobicContact CB-CD1 4.17Å; D106-L109 HydrophobicContact CB-CG 4.32Å; D106-L109 PolarHBondContact O-N 2.98Å; L109-L111 PolarHBondContact O-N 3.12Å; L109-L213 VanDerWaalsContact O-CD1 3.26Å; L109-L213 WeakPolarHBondContact O-CD1 3.49Å; L109-L217 HydrophobicContact CB-CD2 4.45Å; L109-L217 HydrophobicContact CD2-CD1 4.34Å; L109-L217 HydrophobicContact CD2-CD2 4.03Å; L109-L221 HydrophobicContact CD2-CB 4.35Å; L109-Y225 HydrophobicContact CD1-CD1 3.81Å; L109-Y225 HydrophobicContact CD1-CE1 4.12Å; L109-Y225 HydrophobicContact CD1-CG 4.05Å; L109-Y225 HydrophobicContact CD2-CD1 4.39Å; L109-Y225 HydrophobicContact CD2-CD2 3.72Å; L109-Y225 HydrophobicContact CD2-CE2 4.11Å; L109-Y225 HydrophobicContact CD2-CG 3.86Å; L109-Y225 HydrophobicContact CG-CD1 4.33Å; L109-Y225 HydrophobicContact CG-CD2 4.36Å; L109-Y225 HydrophobicContact CG-CE1 4.39Å; L109-Y225 HydrophobicContact CG-CE2 4.44Å; L109-Y225 HydrophobicContact CG-CG 4.29Å; L109-Y229 HydrophobicContact CD1-CE1 4.38Å; L109-I230 HydrophobicContact CD1-CG1 4.03Å
110S91.4Very high90.5Very high14 Ų1447.2 Ų47.210%0.09825%0.254CS..SBendtrans-76.8116.2-178.3-67.50000111.4G105 D106 A107 E108G105-S110 PolarHBondContact O-OG 3.49Å; D106-S110 PolarHBondContact O-N 2.91Å; D106-S110 PolarHBondContact O-OG 3.08Å; D106-S110 VanDerWaalsContact O-OG 3.1Å; A107-S110 WeakPolarHBondContact O-CB 3.33Å; A107-S110 PolarHBondContact O-N 3Å; E108-S110 VanDerWaalsContact C-N 3.29Å
111L92Very high90.9Very high37 Ų3746.2 Ų46.219%0.19425%0.248CC..  trans-59.2144.9176.5-54.2174.6000112L109 S113 N114 L213L109-L111 PolarHBondContact O-N 3.12Å; L111-S113 WeakPolarHBondContact CB-OG 3.18Å; L111-S113 PolarHBondContact O-N 3.07Å; L111-S113 VanDerWaalsContact O-N 3.15Å; L111-N114 PolarHBondContact N-ND2 2.84Å; L111-N114 VanDerWaalsContact O-CB 3.23Å; L111-N114 WeakPolarHBondContact O-CB 3.05Å; L111-N114 PolarHBondContact O-N 2.97Å; L111-L213 HydrophobicContact CG-CD1 4.22Å
112M93.4Very high91.3Very high117 Ų11744.4 Ų44.458%0.57624%0.236SC*.Hα-helixtrans-59.4-27.6175.7-75.3-55.1-53.500113.8N114 F115 R116M112-N114 VanDerWaalsContact C-N 3.25Å; M112-N114 PolarHBondContact O-N 2.83Å; M112-F115 HydrophobicContact CE-CB 4.38Å; M112-F115 PolarHBondContact O-N 3.08Å; M112-F115 HydrophobicContact SD-CD2 4.33Å; M112-R116 WeakPolarHBondContact O-CG 3.49Å; M112-R116 PolarHBondContact O-N 3.45Å
113S92.3Very high92.2Very high70 Ų7045.2 Ų45.249%0.4924%0.238SC..Hα-helixtrans-61.1-33.7172.248.20000112.3L111 R116 G117L111-S113 WeakPolarHBondContact CB-OG 3.18Å; L111-S113 PolarHBondContact O-N 3.07Å; L111-S113 VanDerWaalsContact O-N 3.15Å; S113-R116 PolarHBondContact O-N 2.95Å; S113-G117 PolarHBondContact O-N 2.93Å
114N91.9Very high93.3Very high11 Ų1149.6 Ų49.66%0.05926%0.257CS..Hα-helixtrans-67.2-45.6176.8-60.8-25.7000111.1V102 N103 L111 M112 R116 G117 C118 A161V102-N114 HydrophobicContact CG2-CB 3.73Å; N103-N114 VanDerWaalsContact CB-ND2 3.34Å; N103-N114 WeakPolarHBondContact CB-ND2 3.46Å; N103-N114 PolarHBondContact ND2-ND2 2.85Å; N103-N114 PolarHBondContact ND2-OD1 3.28Å; L111-N114 PolarHBondContact N-ND2 2.84Å; L111-N114 VanDerWaalsContact O-CB 3.23Å; L111-N114 WeakPolarHBondContact O-CB 3.05Å; L111-N114 PolarHBondContact O-N 2.97Å; M112-N114 VanDerWaalsContact C-N 3.25Å; M112-N114 PolarHBondContact O-N 2.83Å; N114-R116 PolarHBondContact O-N 2.84Å; N114-G117 PolarHBondContact O-N 2.9Å; N114-C118 WeakPolarHBondContact O-CB 3.41Å; N114-C118 PolarHBondContact O-N 2.95Å; N114-A161 HydrophobicContact CB-CB 4.21Å
115F95Very high93.9Very high49 Ų4948.9 Ų48.922%0.21525%0.253CS..Hα-helixtrans-59.2-48174.8-74-90.8000111.3M112 M119 A160 A161M112-F115 HydrophobicContact CE-CB 4.38Å; M112-F115 PolarHBondContact O-N 3.08Å; M112-F115 HydrophobicContact SD-CD2 4.33Å; F115-M119 WeakPolarHBondContact O-CB 3.35Å; F115-M119 VanDerWaalsContact O-CG 3.23Å; F115-M119 WeakPolarHBondContact O-CG 3.33Å; F115-M119 PolarHBondContact O-N 2.81Å; F115-A160 HydrophobicContact CE1-CB 4.24Å; F115-A160 HydrophobicContact CZ-CB 3.95Å; F115-A161 HydrophobicContact CB-CB 4.48Å; F115-A161 HydrophobicContact CD1-CB 3.87Å; F115-A161 HydrophobicContact CD2-CB 4.13Å; F115-A161 HydrophobicContact CE1-CB 4.08Å; F115-A161 HydrophobicContact CE2-CB 4.33Å; F115-A161 HydrophobicContact CG-CB 3.9Å; F115-A161 HydrophobicContact CZ-CB 4.3Å
116R96.1Very high94.4Very high176 Ų17649 Ų4966%0.66425%0.253SS*.Hα-helixtrans-61.5-46.2177.4-70.6179.3-176.8136.40.8111.8M112 S113 N114 M119 E120M112-R116 WeakPolarHBondContact O-CG 3.49Å; M112-R116 PolarHBondContact O-N 3.45Å; S113-R116 PolarHBondContact O-N 2.95Å; N114-R116 PolarHBondContact O-N 2.84Å; R116-M119 PolarHBondContact O-N 2.82Å; R116-E120 WeakPolarHBondContact O-CB 3.23Å; R116-E120 PolarHBondContact O-N 3.5Å
117G94.1Very high94.7Very high29 Ų2948.6 Ų48.630%0.29925%0.252SS..Hα-helixtrans-63.7-46.8-179.500000113.3S113 N114 M119 E120 V121S113-G117 PolarHBondContact O-N 2.93Å; N114-G117 PolarHBondContact O-N 2.9Å; G117-M119 VanDerWaalsContact C-N 3.34Å; G117-M119 PolarHBondContact O-N 2.86Å; G117-E120 PolarHBondContact O-N 3.27Å; G117-V121 PolarHBondContact O-N 2.87Å
118C95Very high95Very high0 Ų047.3 Ų47.30%024%0.239CC..Hα-helixtrans-61.1-42.5174.5-81.50000111.7V100 N114 N122V100-C118 PolarHBondContact O-SG 3.37Å; N114-C118 WeakPolarHBondContact O-CB 3.41Å; N114-C118 PolarHBondContact O-N 2.95Å; C118-N122 WeakPolarHBondContact O-CB 3.17Å; C118-N122 PolarHBondContact O-N 3.2Å
119M97.2Very high95.1Very high47 Ų4741.7 Ų41.723%0.23221%0.213CC..Iπ-helixtrans-63.9-42.9176.5-75.5-63.6-66.200112.3F115 R116 G117 V121 F123 F124 S165 A168F115-M119 WeakPolarHBondContact O-CB 3.35Å; F115-M119 VanDerWaalsContact O-CG 3.23Å; F115-M119 WeakPolarHBondContact O-CG 3.33Å; F115-M119 PolarHBondContact O-N 2.81Å; R116-M119 PolarHBondContact O-N 2.82Å; G117-M119 VanDerWaalsContact C-N 3.34Å; G117-M119 PolarHBondContact O-N 2.86Å; M119-V121 PolarHBondContact O-N 2.93Å; M119-F123 HydrophobicContact CE-CB 4.05Å; M119-F123 HydrophobicContact CE-CD1 3.55Å; M119-F123 HydrophobicContact CE-CE1 4.26Å; M119-F123 HydrophobicContact CE-CG 3.95Å; M119-F123 WeakPolarHBondContact O-CA 3.29Å; M119-F123 WeakPolarHBondContact O-CB 3.45Å; M119-F123 PolarHBondContact O-N 3.24Å; M119-F123 VanDerWaalsContact O-N 3.11Å; M119-F123 HydrophobicContact SD-CB 4.26Å; M119-F124 HydrophobicContact CB-CD2 4.34Å; M119-F124 HydrophobicContact CB-CE2 4.27Å; M119-F124 HydrophobicContact CE-CE2 4.3Å; M119-F124 PolarHBondContact O-N 3.44Å; M119-S165 VanDerWaalsContact SD-CA 3.59Å; M119-A168 HydrophobicContact CE-CB 4.24Å; M119-A168 HydrophobicContact SD-CB 4.4Å
120E97Very high95.3Very high86 Ų8641.7 Ų41.740%0.40221%0.213SC..Iπ-helixtrans-59.7-47.2-178.2-16758.3-14600111.5T69 R116 G117 G125T69-E120 HydrophobicContact CG2-CG 4.04Å; R116-E120 WeakPolarHBondContact O-CB 3.23Å; R116-E120 PolarHBondContact O-N 3.5Å; G117-E120 PolarHBondContact O-N 3.27Å; E120-G125 PolarHBondContact O-N 3.46Å
121V94.4Very high95.6Very high30 Ų3047.9 Ų47.918%0.18224%0.238CC..Iπ-helixtrans-80.8-56.5-179-178.90000111.7I68 T69 V100 G117 M119 F123I68-V121 HydrophobicContact CD1-CG1 4.19Å; I68-V121 WeakPolarHBondContact CD1-O 3.3Å; T69-V121 HydrophobicContact CG2-CG2 3.71Å; V100-V121 HydrophobicContact CG1-CG1 4.16Å; V100-V121 HydrophobicContact CG1-CG2 4.47Å; V100-V121 HydrophobicContact CG2-CB 3.85Å; V100-V121 HydrophobicContact CG2-CG1 4.23Å; V100-V121 HydrophobicContact CG2-CG2 3.96Å; G117-V121 PolarHBondContact O-N 2.87Å; M119-V121 PolarHBondContact O-N 2.93Å; V121-F123 PolarHBondContact O-N 3.19Å
122N96Very high95.8Very high0 Ų047.5 Ų47.50%024%0.239CC..Iπ-helixtrans-73.1-33-166.1-57.4-10.3000111.8G99 V100 C118 T126 S165G99-N122 WeakPolarHBondContact CA-OD1 3.45Å; V100-N122 PolarHBondContact N-OD1 2.78Å; V100-N122 PolarHBondContact O-ND2 3.21Å; V100-N122 PolarHBondContact O-OD1 3.43Å; C118-N122 WeakPolarHBondContact O-CB 3.17Å; C118-N122 PolarHBondContact O-N 3.2Å; N122-T126 WeakPolarHBondContact O-CB 3.25Å; N122-T126 PolarHBondContact O-OG1 3.44Å; N122-S165 PolarHBondContact ND2-OG 3.39Å
123F97.6Very high95.9Very high39 Ų3942 Ų4217%0.17121%0.212CC..Iπ-helixtrans-107.2-68.1-176.2-179.2-107.8000111.9M119 V121 G125 T126 V127 A168 F172M119-F123 HydrophobicContact CE-CB 4.05Å; M119-F123 HydrophobicContact CE-CD1 3.55Å; M119-F123 HydrophobicContact CE-CE1 4.26Å; M119-F123 HydrophobicContact CE-CG 3.95Å; M119-F123 WeakPolarHBondContact O-CA 3.29Å; M119-F123 WeakPolarHBondContact O-CB 3.45Å; M119-F123 PolarHBondContact O-N 3.24Å; M119-F123 VanDerWaalsContact O-N 3.11Å; M119-F123 HydrophobicContact SD-CB 4.26Å; V121-F123 PolarHBondContact O-N 3.19Å; F123-G125 PolarHBondContact O-N 2.76Å; F123-T126 WeakPolarHBondContact O-CB 3.44Å; F123-T126 PolarHBondContact O-N 3.17Å; F123-V127 HydrophobicContact CD2-CG2 4.21Å; F123-V127 HydrophobicContact CE1-CG2 4.36Å; F123-V127 HydrophobicContact CE2-CG2 3.93Å; F123-V127 HydrophobicContact CZ-CG2 4.01Å; F123-V127 VanDerWaalsContact O-CG2 3.29Å; F123-V127 WeakPolarHBondContact O-CG2 3.49Å; F123-V127 PolarHBondContact O-N 3.12Å; F123-A168 HydrophobicContact CD2-CB 3.64Å; F123-A168 HydrophobicContact CE2-CB 3.89Å; F123-A168 WeakPolarHBondContact CE2-O 3.39Å; F123-A168 HydrophobicContact CG-CB 4.01Å; F123-A168 HydrophobicContact CZ-CB 4.46Å; F123-F172 HydrophobicContact CE2-CB 3.86Å; F123-F172 HydrophobicContact CE2-CG 4.28Å
124F97.8Very high96.1Very high105 Ų10540.3 Ų40.346%0.46120%0.197SC..Iπ-helixtrans-62.4-43.4-173.1-70.8-62.3000112.7M119 T126 V127 S128M119-F124 HydrophobicContact CB-CD2 4.34Å; M119-F124 HydrophobicContact CB-CE2 4.27Å; M119-F124 HydrophobicContact CE-CE2 4.3Å; M119-F124 PolarHBondContact O-N 3.44Å; F124-T126 PolarHBondContact O-N 3.26Å; F124-V127 PolarHBondContact O-N 3.4Å; F124-S128 WeakPolarHBondContact O-CB 2.92Å; F124-S128 PolarHBondContact O-N 2.84Å
125G96.2Very high96.3Very high1 Ų142.6 Ų42.61%0.0121%0.212CC..Iπ-helixtrans-58.3-47.9173.800000112.1I68 E120 F123 V127 S128 V129I68-G125 WeakPolarHBondContact O-CA 3.34Å; E120-G125 PolarHBondContact O-N 3.46Å; F123-G125 PolarHBondContact O-N 2.76Å; G125-V127 PolarHBondContact O-N 3.02Å; G125-S128 PolarHBondContact O-N 3.01Å; G125-V129 WeakPolarHBondContact O-CB 3.25Å; G125-V129 WeakPolarHBondContact O-CG2 3.43Å; G125-V129 PolarHBondContact O-N 3.4Å
126T96.3Very high96.3Very high3 Ų340.8 Ų40.82%0.01821%0.205CC..Hα-helixtrans-59.5-43.4175.5-60.60000112.4N96 N122 F123 F124 T130 L169N96-T126 HydrophobicContact CB-CG2 3.72Å; N122-T126 WeakPolarHBondContact O-CB 3.25Å; N122-T126 PolarHBondContact O-OG1 3.44Å; F123-T126 WeakPolarHBondContact O-CB 3.44Å; F123-T126 PolarHBondContact O-N 3.17Å; F124-T126 PolarHBondContact O-N 3.26Å; T126-T130 VanDerWaalsContact O-CB 3.25Å; T126-T130 WeakPolarHBondContact O-CB 3.2Å; T126-T130 PolarHBondContact O-N 2.96Å; T126-T130 PolarHBondContact O-OG1 3.13Å; T126-L169 HydrophobicContact CG2-CD1 3.54Å
127V97.3Very high96.3Very high25 Ų2532.4 Ų32.415%0.15217%0.173CC..Hα-helixtrans-63.4-46.7177.2171.40000110.5F123 F124 G125 T130 K131 F172F123-V127 HydrophobicContact CD2-CG2 4.21Å; F123-V127 HydrophobicContact CE1-CG2 4.36Å; F123-V127 HydrophobicContact CE2-CG2 3.93Å; F123-V127 HydrophobicContact CZ-CG2 4.01Å; F123-V127 VanDerWaalsContact O-CG2 3.29Å; F123-V127 WeakPolarHBondContact O-CG2 3.49Å; F123-V127 PolarHBondContact O-N 3.12Å; F124-V127 PolarHBondContact O-N 3.4Å; G125-V127 PolarHBondContact O-N 3.02Å; V127-T130 PolarHBondContact O-N 3.28Å; V127-K131 HydrophobicContact CG1-CD 3.76Å; V127-K131 HydrophobicContact CG1-CG 4.34Å; V127-K131 WeakPolarHBondContact O-CB 3.45Å; V127-K131 VanDerWaalsContact O-CG 3.29Å; V127-K131 WeakPolarHBondContact O-CG 3.45Å; V127-K131 PolarHBondContact O-N 3.06Å; V127-F172 HydrophobicContact CB-CE1 4.47Å; V127-F172 HydrophobicContact CB-CZ 4.26Å; V127-F172 HydrophobicContact CG1-CE2 4.41Å; V127-F172 HydrophobicContact CG1-CZ 4.21Å; V127-F172 HydrophobicContact CG2-CD1 3.98Å; V127-F172 HydrophobicContact CG2-CD2 4.23Å; V127-F172 HydrophobicContact CG2-CE1 3.74Å; V127-F172 HydrophobicContact CG2-CE2 4.02Å; V127-F172 HydrophobicContact CG2-CG 4.2Å; V127-F172 HydrophobicContact CG2-CZ 3.75Å
128S96.7Very high96.3Very high34 Ų3435.1 Ų35.124%0.23817%0.174CC..Hα-helixtrans-57.8-51.2179.9-178.80000111.1F124 G125 K131 S132F124-S128 WeakPolarHBondContact O-CB 2.92Å; F124-S128 PolarHBondContact O-N 2.84Å; G125-S128 PolarHBondContact O-N 3.01Å; S128-K131 PolarHBondContact O-N 3.11Å; S128-S132 WeakPolarHBondContact O-CB 3.24Å; S128-S132 PolarHBondContact O-N 2.69Å; S128-S132 PolarHBondContact O-OG 2.94Å
129V96.9Very high96.3Very high1 Ų140.3 Ų40.31%0.00620%0.198CC..Hα-helixtrans-59.8-51176.4167.80000111.2P16 I68 V74 L94 N96 G125 K131 S132 F133P16-V129 HydrophobicContact CB-CG1 3.43Å; P16-V129 VanDerWaalsContact CB-CG1 3.43Å; P16-V129 HydrophobicContact CB-CG2 4.3Å; P16-V129 HydrophobicContact CG-CG1 3.33Å; I68-V129 HydrophobicContact CB-CG2 3.96Å; I68-V129 HydrophobicContact CG2-CG2 3.59Å; V74-V129 HydrophobicContact CG1-CG2 3.96Å; V74-V129 HydrophobicContact CG2-CG2 3.9Å; L94-V129 HydrophobicContact CD1-CG1 4.24Å; L94-V129 HydrophobicContact CD2-CG1 4.34Å; N96-V129 WeakPolarHBondContact OD1-CG1 3.42Å; G125-V129 WeakPolarHBondContact O-CB 3.25Å; G125-V129 WeakPolarHBondContact O-CG2 3.43Å; G125-V129 PolarHBondContact O-N 3.4Å; V129-K131 VanDerWaalsContact C-N 3.33Å; V129-K131 PolarHBondContact O-N 3.15Å; V129-S132 PolarHBondContact O-N 2.85Å; V129-S132 VanDerWaalsContact O-N 3.14Å; V129-F133 HydrophobicContact CG1-CD2 4.25Å; V129-F133 WeakPolarHBondContact O-CD2 3.31Å; V129-F133 PolarHBondContact O-N 2.96Å
130T97.3Very high96.1Very high2 Ų239.5 Ų39.51%0.01220%0.2CC..Hα-helixtrans-58.4-46.4-177.6-600000111.4N96 T126 V127 S132 F133 L134 I144 L176N96-T130 PolarHBondContact ND2-OG1 3.11Å; T126-T130 VanDerWaalsContact O-CB 3.25Å; T126-T130 WeakPolarHBondContact O-CB 3.2Å; T126-T130 PolarHBondContact O-N 2.96Å; T126-T130 PolarHBondContact O-OG1 3.13Å; V127-T130 PolarHBondContact O-N 3.28Å; T130-S132 VanDerWaalsContact C-N 3.34Å; T130-S132 PolarHBondContact O-N 3.15Å; T130-F133 PolarHBondContact O-N 3.22Å; T130-L134 HydrophobicContact CG2-CD1 4.37Å; T130-L134 WeakPolarHBondContact O-CB 3.49Å; T130-L134 PolarHBondContact O-N 3.2Å; T130-I144 HydrophobicContact CG2-CD1 4.02Å; T130-L176 HydrophobicContact CG2-CD1 3.71Å
131K96.4Very high96.1Very high143 Ų14342 Ų4262%0.62221%0.209SC*.Hα-helixtrans-63-40.8177.9-71.8178.169166.80112.1V127 S128 V129 L134V127-K131 HydrophobicContact CG1-CD 3.76Å; V127-K131 HydrophobicContact CG1-CG 4.34Å; V127-K131 WeakPolarHBondContact O-CB 3.45Å; V127-K131 VanDerWaalsContact O-CG 3.29Å; V127-K131 WeakPolarHBondContact O-CG 3.45Å; V127-K131 PolarHBondContact O-N 3.06Å; S128-K131 PolarHBondContact O-N 3.11Å; V129-K131 VanDerWaalsContact C-N 3.33Å; V129-K131 PolarHBondContact O-N 3.15Å; K131-L134 PolarHBondContact O-N 3.45Å
132S96.4Very high96.1Very high29 Ų2940.6 Ų40.620%0.20320%0.2CC..Hα-helixtrans-65.2-41.9-178.2-59.10000112.1L78 S128 V129 T130 P135L78-S132 VanDerWaalsContact CD2-O 3.31Å; L78-S132 WeakPolarHBondContact CD2-O 3.34Å; S128-S132 WeakPolarHBondContact O-CB 3.24Å; S128-S132 PolarHBondContact O-N 2.69Å; S128-S132 PolarHBondContact O-OG 2.94Å; V129-S132 PolarHBondContact O-N 2.85Å; V129-S132 VanDerWaalsContact O-N 3.14Å; T130-S132 VanDerWaalsContact C-N 3.34Å; T130-S132 PolarHBondContact O-N 3.15Å; S132-P135 WeakPolarHBondContact O-CD 3.26Å
133F96.7Very high96.2Very high2 Ų241.6 Ų41.61%0.00920%0.204CC..Hα-helixtrans-88-11.7-178.3-77.6-97.8000114C14 A77 L78 T81 L91 L94 V129 T130 P135 L136 L137C14-F133 HydrophobicContact CB-CE1 4.5Å; A77-F133 HydrophobicContact CB-CZ 4.37Å; L78-F133 HydrophobicContact CB-CE2 4.21Å; L78-F133 HydrophobicContact CB-CZ 4.16Å; L78-F133 HydrophobicContact CD1-CD1 3.95Å; L78-F133 HydrophobicContact CD1-CD2 4.42Å; L78-F133 HydrophobicContact CD1-CE1 4.09Å; L78-F133 HydrophobicContact CD1-CG 4.15Å; L78-F133 HydrophobicContact CD1-CZ 4.38Å; T81-F133 HydrophobicContact CG2-CE1 4.11Å; L91-F133 HydrophobicContact CD2-CD1 3.76Å; L91-F133 HydrophobicContact CD2-CE1 4.47Å; L94-F133 HydrophobicContact CD1-CB 4.18Å; L94-F133 HydrophobicContact CD1-CD1 4.48Å; L94-F133 HydrophobicContact CD1-CG 4.16Å; L94-F133 HydrophobicContact CD2-CB 4.23Å; V129-F133 HydrophobicContact CG1-CD2 4.25Å; V129-F133 WeakPolarHBondContact O-CD2 3.31Å; V129-F133 PolarHBondContact O-N 2.96Å; T130-F133 PolarHBondContact O-N 3.22Å; F133-P135 VanDerWaalsContact C-CD 3.41Å; F133-P135 VanDerWaalsContact C-N 3.35Å; F133-L136 HydrophobicContact CD1-CD1 4.25Å; F133-L136 PolarHBondContact O-N 3.47Å; F133-L137 HydrophobicContact CB-CD1 4.46Å; F133-L137 PolarHBondContact O-N 3.07Å
134L96.4Very high96.3Very high35 Ų3539.7 Ų39.718%0.18320%0.196CC..Hα-helixtrans-52-40.8-177.9-150.169.6000114.5T130 K131 L136 L137 R138 I144 L180T130-L134 HydrophobicContact CG2-CD1 4.37Å; T130-L134 WeakPolarHBondContact O-CB 3.49Å; T130-L134 PolarHBondContact O-N 3.2Å; K131-L134 PolarHBondContact O-N 3.45Å; L134-L136 VanDerWaalsContact C-N 3.3Å; L134-L136 PolarHBondContact O-N 2.92Å; L134-L137 HydrophobicContact CD1-CD1 4.45Å; L134-L137 PolarHBondContact O-N 2.94Å; L134-R138 VanDerWaalsContact O-CG 3.28Å; L134-R138 WeakPolarHBondContact O-CG 3.46Å; L134-R138 PolarHBondContact O-N 3.09Å; L134-I144 HydrophobicContact CD1-CD1 3.91Å; L134-L180 HydrophobicContact CD1-CD1 3.88Å; L134-L180 HydrophobicContact CD1-CD2 4.08Å; L134-L180 HydrophobicContact CD2-CD2 4.13Å; L134-L180 HydrophobicContact CG-CD2 4.38Å
135P94.9Very high96.3Very high58 Ų5834.7 Ų34.738%0.37717%0.174SC..Hα-helixtrans-57.6-40.3176.1-25.536.3000113.5S132 F133 Q139S132-P135 WeakPolarHBondContact O-CD 3.26Å; F133-P135 VanDerWaalsContact C-CD 3.41Å; F133-P135 VanDerWaalsContact C-N 3.35Å; P135-Q139 PolarHBondContact O-N 3.29Å
136L95.3Very high96.4Very high11 Ų1134.7 Ų34.76%0.05817%0.174CC..Hα-helixtrans-70.6-38.9178.7-62.2179.5000111.8L78 T81 K82 L85 G90 L91 F133 L134 Q139 A140L78-L136 HydrophobicContact CD1-CD1 3.64Å; L78-L136 HydrophobicContact CD1-CG 4.25Å; T81-L136 HydrophobicContact CG2-CD1 4.27Å; K82-L136 HydrophobicContact CG-CD1 4.05Å; K82-L136 HydrophobicContact CG-CD2 3.99Å; L85-L136 HydrophobicContact CD1-CD1 4.26Å; G90-L136 WeakPolarHBondContact CA-O 3.45Å; L91-L136 HydrophobicContact CB-CB 3.66Å; L91-L136 HydrophobicContact CB-CD1 4.41Å; L91-L136 PolarHBondContact N-O 2.75Å; F133-L136 HydrophobicContact CD1-CD1 4.25Å; F133-L136 PolarHBondContact O-N 3.47Å; L134-L136 VanDerWaalsContact C-N 3.3Å; L134-L136 PolarHBondContact O-N 2.92Å; L136-Q139 PolarHBondContact O-N 2.92Å; L136-A140 PolarHBondContact O-N 2.88Å
137L96.4Very high96.4Very high0 Ų034.9 Ų34.90%018%0.175CC..Hα-helixtrans-64.7-41.5176.9-70.3161.4000111.7L91 L94 F133 L134 Q139 A140 K141 G142 R143 I144 V185L91-L137 HydrophobicContact CD2-CD2 4.35Å; L91-L137 HydrophobicContact CG-CD2 4.49Å; L91-L137 WeakPolarHBondContact O-CD2 3.3Å; L94-L137 HydrophobicContact CB-CD1 3.92Å; L94-L137 HydrophobicContact CB-CD2 4Å; L94-L137 HydrophobicContact CB-CG 4.49Å; L94-L137 HydrophobicContact CD2-CD1 3.94Å; F133-L137 HydrophobicContact CB-CD1 4.46Å; F133-L137 PolarHBondContact O-N 3.07Å; L134-L137 HydrophobicContact CD1-CD1 4.45Å; L134-L137 PolarHBondContact O-N 2.94Å; L137-Q139 VanDerWaalsContact C-N 3.35Å; L137-Q139 PolarHBondContact O-N 3.17Å; L137-A140 PolarHBondContact O-N 3.47Å; L137-K141 PolarHBondContact O-N 3.43Å; L137-G142 PolarHBondContact O-N 3.17Å; L137-R143 WeakPolarHBondContact CD2-O 3.45Å; L137-I144 HydrophobicContact CD1-CD1 3.93Å; L137-I144 HydrophobicContact CD1-CG1 3.69Å; L137-I144 HydrophobicContact CD2-CG1 4.5Å; L137-V185 HydrophobicContact CB-CG2 4.38Å
138R95.1Very high96.3Very high86 Ų8633.9 Ų33.933%0.32517%0.168SC..Hα-helixtrans-62.8-40.8176.3-70.3-175.3-59.9155.5-1.2111.8L134 A140 K141 W183 V185L134-R138 VanDerWaalsContact O-CG 3.28Å; L134-R138 WeakPolarHBondContact O-CG 3.46Å; L134-R138 PolarHBondContact O-N 3.09Å; R138-A140 VanDerWaalsContact C-N 3.3Å; R138-A140 PolarHBondContact O-N 2.9Å; R138-K141 PolarHBondContact O-N 3.41Å; R138-W183 HydrophobicContact CB-CE3 4.31Å; R138-W183 VanDerWaalsContact CD-CD2 3.47Å; R138-W183 VanDerWaalsContact CD-CE3 3.46Å; R138-W183 HydrophobicContact CG-CB 4.04Å; R138-W183 HydrophobicContact CG-CD2 4.15Å; R138-W183 HydrophobicContact CG-CE3 4.1Å; R138-W183 HydrophobicContact CG-CG 4.16Å; R138-V185 HydrophobicContact CG-CG2 4.27Å
139Q93.6Very high96.2Very high109 Ų10933 Ų3351%0.50916%0.162SC..Hα-helixtrans-61.7-37.6176.7-175.6174.4-1.500112.4R88 P135 L136 L137R88-Q139 PolarHBondContact O-NE2 3.34Å; P135-Q139 PolarHBondContact O-N 3.29Å; L136-Q139 PolarHBondContact O-N 2.92Å; L137-Q139 VanDerWaalsContact C-N 3.35Å; L137-Q139 PolarHBondContact O-N 3.17Å
140A93.8Very high96Very high31 Ų3133.1 Ų33.126%0.25616%0.163SC..Hα-helixtrans-86.9-7.8178.400000114.5L91 L136 L137 R138 G142L91-A140 VanDerWaalsContact O-CB 3.26Å; L91-A140 WeakPolarHBondContact O-CB 3.48Å; L136-A140 PolarHBondContact O-N 2.88Å; L137-A140 PolarHBondContact O-N 3.47Å; R138-A140 VanDerWaalsContact C-N 3.3Å; R138-A140 PolarHBondContact O-N 2.9Å; A140-G142 PolarHBondContact O-N 2.96Å
141K95.7Very high95.7Very high138 Ų13833.4 Ų33.460%0.617%0.166SC*.THydrogen-bonded Turntrans4947-164.4-56.7-179.1-178.3179.80111L137 R138 R143 G184L137-K141 PolarHBondContact O-N 3.43Å; R138-K141 PolarHBondContact O-N 3.41Å; K141-R143 PolarHBondContact O-NH1 2.62Å; K141-G184 CarbonylContact C-O 3.51Å
142G96.1Very high95.5Very high0 Ų027 Ų270%014%0.141CC..  trans-77.7-153.5-165.700000115.2W92 L137 A140 V185 K186W92-G142 CarbonylContact O-C 3.54Å; W92-G142 VanDerWaalsContact O-C 3.29Å; W92-G142 WeakPolarHBondContact O-CA 3.42Å; L137-G142 PolarHBondContact O-N 3.17Å; A140-G142 PolarHBondContact O-N 2.96Å; G142-V185 WeakPolarHBondContact O-CA 3.21Å; G142-K186 PolarHBondContact O-N 2.84Å; G142-K186 VanDerWaalsContact O-N 3.1Å
143R97.9Very high95.3Very high21 Ų2128 Ų288%0.07914%0.144CC..EExtended strand (participates in β ladder)trans-133.6139-173.1-57.3-64.5179.3-89.1-5.3110.6W92 G93 L94 L137 K141 K186 L259W92-R143 VanDerWaalsContact CH2-CZ 3.5Å; W92-R143 VanDerWaalsContact CH2-NH2 3.25Å; W92-R143 HydrophobicContact CZ2-CG 4.13Å; W92-R143 PolarHBondContact O-N 3.41Å; G93-R143 CarbonylContact C-O 3.51Å; G93-R143 VanDerWaalsContact CA-O 3.25Å; G93-R143 WeakPolarHBondContact CA-O 3.17Å; L94-R143 PolarHBondContact N-O 3.33Å; L137-R143 WeakPolarHBondContact CD2-O 3.45Å; K141-R143 PolarHBondContact O-NH1 2.62Å; R143-K186 CarbonylContact C-O 3.59Å; R143-K186 WeakPolarHBondContact CA-O 3.25Å; R143-L259 HydrophobicContact CB-CD2 3.91Å
144I98.4Very high95Very high0 Ų028.3 Ų28.30%015%0.145CC..EExtended strand (participates in β ladder)trans-117.2129.5169-58.8170.7000107.4L94 T130 L134 L137 N146 L180 V185 K186 V187 S188L94-I144 CarbonylContact O-C 3.58Å; L94-I144 WeakPolarHBondContact O-CA 3.17Å; T130-I144 HydrophobicContact CG2-CD1 4.02Å; L134-I144 HydrophobicContact CD1-CD1 3.91Å; L137-I144 HydrophobicContact CD1-CD1 3.93Å; L137-I144 HydrophobicContact CD1-CG1 3.69Å; L137-I144 HydrophobicContact CD2-CG1 4.5Å; I144-N146 WeakPolarHBondContact CG2-OD1 3.35Å; I144-L180 HydrophobicContact CD1-CD1 3.67Å; I144-V185 HydrophobicContact CD1-CG1 4.02Å; I144-V185 HydrophobicContact CG1-CG1 4.07Å; I144-K186 PolarHBondContact N-O 3.37Å; I144-V187 HydrophobicContact CB-CG1 4.18Å; I144-V187 HydrophobicContact CB-CG2 4.25Å; I144-V187 HydrophobicContact CD1-CG2 4.27Å; I144-V187 HydrophobicContact CG2-CG1 4.29Å; I144-V187 CarbonylContact O-C 3.52Å; I144-V187 WeakPolarHBondContact O-CA 3.28Å; I144-S188 PolarHBondContact O-N 3.07Å
145V98.4Very high94.5Very high0 Ų030.8 Ų30.80%016%0.163CC..EExtended strand (participates in β ladder)trans-123.4117.3176.7-178.50000108.1L94 V95 N96 I147 S188 I190 I255 A258 L259L94-V145 PolarHBondContact O-N 2.81Å; V95-V145 CarbonylContact C-O 3.56Å; V95-V145 WeakPolarHBondContact CA-O 3.28Å; V95-V145 HydrophobicContact CG1-CB 4.43Å; V95-V145 HydrophobicContact CG1-CG1 4.48Å; V95-V145 HydrophobicContact CG2-CB 4.35Å; N96-V145 PolarHBondContact N-O 2.89Å; V145-I147 HydrophobicContact CG1-CD1 4.29Å; V145-S188 WeakPolarHBondContact CA-O 3.38Å; V145-I190 HydrophobicContact CG1-CD1 3.42Å; V145-I190 VanDerWaalsContact CG1-CD1 3.42Å; V145-I190 HydrophobicContact CG1-CG1 3.84Å; V145-I255 HydrophobicContact CG1-CG1 4.47Å; V145-A258 HydrophobicContact CG1-CB 4.39Å; V145-A258 HydrophobicContact CG2-CB 3.67Å; V145-L259 HydrophobicContact CG2-CD2 3.78Å; V145-L259 HydrophobicContact CG2-CG 4.01Å
146N97.8Very high94.2Very high0 Ų029.4 Ų29.40%015%0.151CC..EExtended strand (participates in β ladder)trans-106.2122.9178-67.7-13000109.8N96 I144 S148 T173 S188 T189 I190N96-N146 WeakPolarHBondContact CB-OD1 3.47Å; N96-N146 PolarHBondContact ND2-OD1 2.97Å; I144-N146 WeakPolarHBondContact CG2-OD1 3.35Å; N146-S148 PolarHBondContact O-N 2.85Å; N146-T173 HydrophobicContact CB-CG2 4.15Å; N146-T173 WeakPolarHBondContact ND2-CG2 3.19Å; N146-T173 PolarHBondContact ND2-OG1 3.47Å; N146-S188 PolarHBondContact N-O 3.11Å; N146-T189 WeakPolarHBondContact O-CA 3.39Å; N146-I190 PolarHBondContact O-N 3.48Å
147I96.5Very high93.8Very high8 Ų830.7 Ų30.74%0.04116%0.161CC..EExtended strand (participates in β ladder)trans-83.6106.9172.5-48.9-55000108.3F23 V95 N96 N97 V145 K166 I190 P192 I255F23-I147 HydrophobicContact CD2-CG2 4.4Å; V95-I147 HydrophobicContact CG1-CD1 4.48Å; V95-I147 HydrophobicContact CG1-CG1 4.47Å; N96-I147 PolarHBondContact O-N 3.36Å; N97-I147 HydrophobicContact CB-CG1 3.97Å; V145-I147 HydrophobicContact CG1-CD1 4.29Å; I147-K166 PolarHBondContact O-NZ 3.39Å; I147-I190 HydrophobicContact CD1-CB 3.86Å; I147-I190 HydrophobicContact CD1-CD1 3.82Å; I147-I190 HydrophobicContact CD1-CG1 4.24Å; I147-I190 HydrophobicContact CD1-CG2 4.38Å; I147-P192 HydrophobicContact CG2-CG 3.93Å; I147-I255 HydrophobicContact CD1-CD1 3.88Å; I147-I255 HydrophobicContact CD1-CG1 3.84Å
148S95.3Very high93.4Very high3 Ų331.3 Ų31.32%0.02116%0.164CC..  trans-108.8-146.5178.7-164.10000110.9N146 N170 I190 P192N146-S148 PolarHBondContact O-N 2.85Å; S148-N170 WeakPolarHBondContact CB-OD1 3.15Å; S148-N170 PolarHBondContact OG-OD1 3.04Å; S148-I190 PolarHBondContact N-O 3.23Å; S148-P192 VanDerWaalsContact O-CD 3.29Å; S148-P192 WeakPolarHBondContact O-CD 3.38Å
149S94Very high93.2Very high15 Ų1528.2 Ų28.211%0.10515%0.154CC..  trans-157.3151.9178.7179.80000110.6A151 G152 Y162 L191S149-A151 PolarHBondContact O-N 3.49Å; S149-A151 PolarHBondContact OG-N 2.98Å; S149-G152 PolarHBondContact O-N 3.38Å; S149-Y162 VanDerWaalsContact CB-OH 3.32Å; S149-Y162 WeakPolarHBondContact CB-OH 3.43Å; S149-L191 WeakPolarHBondContact O-CD2 3.35Å
150P92.9Very high93.1Very high5 Ų524.5 Ų24.53%0.03214%0.143CC..G310 helixtrans-57.1-26.6166.3-24.835000114.9G152 D153 Q154 F156 L191 P192 I274 M277 Y278P150-G152 PolarHBondContact O-N 3.06Å; P150-G152 VanDerWaalsContact O-N 3.1Å; P150-D153 PolarHBondContact O-N 3.5Å; P150-Q154 PolarHBondContact O-N 2.6Å; P150-F156 HydrophobicContact CB-CE2 4.2Å; P150-F156 HydrophobicContact CB-CZ 3.91Å; P150-L191 HydrophobicContact CG-CB 4.48Å; P150-P192 WeakPolarHBondContact CD-O 3.4Å; P150-I274 HydrophobicContact CG-CD1 3.47Å; P150-I274 VanDerWaalsContact CG-CD1 3.47Å; P150-I274 HydrophobicContact CG-CG1 4.13Å; P150-M277 HydrophobicContact CB-CE 3.36Å; P150-M277 HydrophobicContact CG-CE 3.84Å; P150-Y278 WeakPolarHBondContact CA-OH 3.34Å; P150-Y278 HydrophobicContact CB-CE2 4.07Å; P150-Y278 HydrophobicContact CG-CE2 4.14Å
151A91.2Very high93.2Very high7 Ų723.2 Ų23.26%0.05813%0.132CC..G310 helixtrans-63.2-13.3173.300000113.2S149 F156 L159 Y162 G163S149-A151 PolarHBondContact O-N 3.49Å; S149-A151 PolarHBondContact OG-N 2.98Å; A151-F156 HydrophobicContact CB-CB 4.14Å; A151-F156 HydrophobicContact CB-CD1 4.36Å; A151-F156 HydrophobicContact CB-CD2 4.39Å; A151-F156 HydrophobicContact CB-CG 4.05Å; A151-L159 HydrophobicContact CB-CD1 4.49Å; A151-Y162 HydrophobicContact CB-CD1 3.97Å; A151-Y162 HydrophobicContact CB-CE1 3.96Å; A151-G163 WeakPolarHBondContact O-CA 3.17Å
152G92.1Very high93.1Very high10 Ų1018.5 Ų18.510%0.10311%0.111CC..G310 helixtrans-82.9-17172.100000114.5S149 P150 A167S149-G152 PolarHBondContact O-N 3.38Å; P150-G152 PolarHBondContact O-N 3.06Å; P150-G152 VanDerWaalsContact O-N 3.1Å; G152-A167 VanDerWaalsContact O-CA 3.22Å; G152-A167 WeakPolarHBondContact O-CA 3.31Å; G152-A167 VanDerWaalsContact O-CB 3.23Å; G152-A167 WeakPolarHBondContact O-CB 3.43Å
153D92.4Very high93Very high50 Ų5019 Ų1927%0.26712%0.115SC..THydrogen-bonded Turntrans-110.1-19.7177-52.8-49.1000112.9P150 N170 R267 Y278P150-D153 PolarHBondContact O-N 3.5Å; D153-N170 PolarHBondContact OD1-ND2 3.14Å; D153-R267 IonicContact OD1-CZ 3.3Å; D153-R267 IonicContact OD1-NH1 3.41Å; D153-R267 IonicContact OD1-NH2 3.24Å; D153-R267 PolarHBondContact OD1-NH2 3.43Å; D153-R267 IonicContact OD2-CZ 2.78Å; D153-R267 IonicContact OD2-NH2 2.95Å; D153-R267 PolarHBondContact OD2-NH2 2.52Å; D153-Y278 HydrophobicContact CB-CE1 4.19Å; D153-Y278 VanDerWaalsContact OD2-CE1 3.31Å; D153-Y278 WeakPolarHBondContact OD2-CE1 3.5Å; D153-Y278 VanDerWaalsContact OD2-CZ 3.31Å; D153-Y278 PolarHBondContact OD2-OH 3.5Å
154Q90.4Very high93Very high8 Ų820.2 Ų20.24%0.03713%0.13CC..SBendtrans-132.3146.3-170.9-53.8-173.16.500110.5P150 F156 H281 L293P150-Q154 PolarHBondContact O-N 2.6Å; Q154-F156 HydrophobicContact CB-CD2 3.97Å; Q154-F156 HydrophobicContact CB-CE2 3.81Å; Q154-F156 WeakPolarHBondContact O-CD2 3.34Å; Q154-F156 PolarHBondContact O-N 3.03Å; Q154-H281 HydrophobicContact CG-CB 4.41Å; Q154-L293 HydrophobicContact CB-CD1 4.46Å
155P86.6Confident92.9Very high86 Ų8620.2 Ų20.256%0.55813%0.13SC*.  trans-79.284.3-175.732.5-35.2000110.8P157 L293P155-P157 VanDerWaalsContact O-CD 3.23Å; P155-P157 WeakPolarHBondContact O-CD 3.25Å; P155-L293 HydrophobicContact CG-CD1 4.2Å
156F87.9Confident92.8Very high29 Ų2920.4 Ų20.413%0.12713%0.131CC..  trans-75115.8175-81.9-135.1000109.1P150 A151 Q154 L159 M277 L293 F297P150-F156 HydrophobicContact CB-CE2 4.2Å; P150-F156 HydrophobicContact CB-CZ 3.91Å; A151-F156 HydrophobicContact CB-CB 4.14Å; A151-F156 HydrophobicContact CB-CD1 4.36Å; A151-F156 HydrophobicContact CB-CD2 4.39Å; A151-F156 HydrophobicContact CB-CG 4.05Å; Q154-F156 HydrophobicContact CB-CD2 3.97Å; Q154-F156 HydrophobicContact CB-CE2 3.81Å; Q154-F156 WeakPolarHBondContact O-CD2 3.34Å; Q154-F156 PolarHBondContact O-N 3.03Å; F156-L159 HydrophobicContact CB-CB 4.29Å; F156-L159 HydrophobicContact CB-CD1 4.02Å; F156-L159 HydrophobicContact CD1-CD1 4.22Å; F156-L159 PolarHBondContact O-N 3.23Å; F156-M277 HydrophobicContact CE2-CE 4.32Å; F156-M277 HydrophobicContact CE2-SD 4.09Å; F156-M277 HydrophobicContact CZ-CE 3.87Å; F156-M277 HydrophobicContact CZ-SD 3.62Å; F156-L293 HydrophobicContact CE2-CD2 4.23Å; F156-F297 HydrophobicContact CD1-CD1 4.23Å; F156-F297 HydrophobicContact CD1-CD2 4.39Å; F156-F297 AromaticContact CD1-CE1 3.68Å; F156-F297 HydrophobicContact CD1-CE1 3.68Å; F156-F297 AromaticContact CD1-CE2 3.84Å; F156-F297 HydrophobicContact CD1-CE2 3.84Å; F156-F297 AromaticContact CD1-CZ 3.48Å; F156-F297 HydrophobicContact CD1-CZ 3.48Å; F156-F297 VanDerWaalsContact CD1-CZ 3.48Å; F156-F297 HydrophobicContact CD2-CE2 4.49Å; F156-F297 AromaticContact CE1-CE1 3.57Å; F156-F297 HydrophobicContact CE1-CE1 3.57Å; F156-F297 AromaticContact CE1-CE2 3.55Å; F156-F297 HydrophobicContact CE1-CE2 3.55Å; F156-F297 AromaticContact CE1-CZ 3Å; F156-F297 HydrophobicContact CE1-CZ 3Å; F156-F297 HydrophobicContact CE2-CE2 4.19Å; F156-F297 HydrophobicContact CE2-CZ 4.42Å; F156-F297 HydrophobicContact CG-CE2 4.33Å; F156-F297 HydrophobicContact CG-CZ 4.39Å; F156-F297 HydrophobicContact CZ-CE1 4.49Å; F156-F297 AromaticContact CZ-CE2 3.72Å; F156-F297 HydrophobicContact CZ-CE2 3.72Å; F156-F297 AromaticContact CZ-CZ 3.55Å; F156-F297 HydrophobicContact CZ-CZ 3.55Å
157P86.8Confident92.8Very high39 Ų3922.3 Ų22.325%0.25315%0.146SC..THydrogen-bonded Turntrans-58.3149.6179.9-27.439.8000111.6P155 L159 V298P155-P157 VanDerWaalsContact O-CD 3.23Å; P155-P157 WeakPolarHBondContact O-CD 3.25Å; P157-L159 PolarHBondContact O-N 2.67Å; P157-L159 VanDerWaalsContact O-N 3.12Å; P157-V298 HydrophobicContact CB-CG2 3.54Å; P157-V298 HydrophobicContact CG-CG2 3.5Å
158C88.1Confident92.9Very high12 Ų1223.3 Ų23.38%0.08116%0.156CC..THydrogen-bonded Turntrans63.86.6-179.1-45.20000116.4G105 D106 T233 F237G105-C158 PolarHBondContact N-O 3.46Å; G105-C158 VanDerWaalsContact N-O 3.1Å; G105-C158 CarbonylContact O-C 3.31Å; G105-C158 VanDerWaalsContact O-C 3.31Å; G105-C158 WeakPolarHBondContact O-CA 3.34Å; D106-C158 PolarHBondContact OD1-SG 2.94Å; D106-C158 VanDerWaalsContact OD1-SG 3.35Å; C158-T233 HydrophobicContact CB-CG2 3.91Å; C158-F237 HydrophobicContact CB-CE2 3.53Å; C158-F237 HydrophobicContact CB-CZ 3.85Å
159L90.8Very high93Very high21 Ų2123.2 Ų23.211%0.1116%0.155CC..BIsolated β-bridgetrans-117.529.8179-65.9-175.4000112.9L104 A151 F156 P157 A161 Y162 G163 F237L104-L159 HydrophobicContact CD2-CD2 3.43Å; L104-L159 VanDerWaalsContact CD2-CD2 3.43Å; A151-L159 HydrophobicContact CB-CD1 4.49Å; F156-L159 HydrophobicContact CB-CB 4.29Å; F156-L159 HydrophobicContact CB-CD1 4.02Å; F156-L159 HydrophobicContact CD1-CD1 4.22Å; F156-L159 PolarHBondContact O-N 3.23Å; P157-L159 PolarHBondContact O-N 2.67Å; P157-L159 VanDerWaalsContact O-N 3.12Å; L159-A161 PolarHBondContact O-N 3.11Å; L159-Y162 HydrophobicContact CD1-CD1 4.47Å; L159-Y162 PolarHBondContact O-N 3.07Å; L159-G163 PolarHBondContact O-N 3.42Å; L159-F237 HydrophobicContact CD1-CE1 4.04Å; L159-F237 HydrophobicContact CD2-CD1 4.5Å; L159-F237 HydrophobicContact CD2-CE1 3.68Å; L159-F237 HydrophobicContact CD2-CZ 4.06Å; L159-F237 HydrophobicContact CG-CE1 3.81Å; L159-F237 HydrophobicContact CG-CZ 3.93Å
160A93Very high93.2Very high32 Ų3222.7 Ų22.726%0.26415%0.151SC..Hα-helixtrans-56.5-48.3-170.300000113.7A107 F115 A164A107-A160 HydrophobicContact CB-CB 3.68Å; F115-A160 HydrophobicContact CE1-CB 4.24Å; F115-A160 HydrophobicContact CZ-CB 3.95Å; A160-A164 VanDerWaalsContact O-CB 3.22Å; A160-A164 WeakPolarHBondContact O-CB 3.31Å; A160-A164 PolarHBondContact O-N 2.98Å
161A94Very high93.4Very high4 Ų427.8 Ų27.83%0.03318%0.178CC..Hα-helixtrans-64.6-46.4179.700000112.5N114 F115 L159 S165N114-A161 HydrophobicContact CB-CB 4.21Å; F115-A161 HydrophobicContact CB-CB 4.48Å; F115-A161 HydrophobicContact CD1-CB 3.87Å; F115-A161 HydrophobicContact CD2-CB 4.13Å; F115-A161 HydrophobicContact CE1-CB 4.08Å; F115-A161 HydrophobicContact CE2-CB 4.33Å; F115-A161 HydrophobicContact CG-CB 3.9Å; F115-A161 HydrophobicContact CZ-CB 4.3Å; L159-A161 PolarHBondContact O-N 3.11Å; A161-S165 PolarHBondContact O-N 3.3Å
162Y94.3Very high93.7Very high39 Ų3929.3 Ų29.315%0.15318%0.183CC..Hα-helixtrans-64.5-50.7177.9175.5-104.7000111.7V100 C101 S149 A151 L159 A164 S165 K166V100-Y162 WeakPolarHBondContact O-CD2 3.28Å; C101-Y162 HydrophobicContact CB-CD2 3.64Å; C101-Y162 HydrophobicContact CB-CE2 4Å; C101-Y162 HydrophobicContact CB-CG 4.02Å; S149-Y162 VanDerWaalsContact CB-OH 3.32Å; S149-Y162 WeakPolarHBondContact CB-OH 3.43Å; A151-Y162 HydrophobicContact CB-CD1 3.97Å; A151-Y162 HydrophobicContact CB-CE1 3.96Å; L159-Y162 HydrophobicContact CD1-CD1 4.47Å; L159-Y162 PolarHBondContact O-N 3.07Å; Y162-A164 PolarHBondContact O-N 3.25Å; Y162-S165 PolarHBondContact O-N 2.95Å; Y162-S165 VanDerWaalsContact O-N 3.15Å; Y162-S165 PolarHBondContact O-OG 3.33Å; Y162-K166 HydrophobicContact CD1-CG 4.47Å; Y162-K166 HydrophobicContact CD2-CG 4.36Å; Y162-K166 HydrophobicContact CE1-CG 4.01Å; Y162-K166 HydrophobicContact CE2-CD 4.43Å; Y162-K166 HydrophobicContact CE2-CG 3.92Å; Y162-K166 PolarHBondContact O-N 3.05Å
163G95Very high94Very high9 Ų928.8 Ų28.89%0.09318%0.178CC..Hα-helixtrans-58-46.3179.300000112.1A151 L159 S165 K166 A167A151-G163 WeakPolarHBondContact O-CA 3.17Å; L159-G163 PolarHBondContact O-N 3.42Å; G163-S165 VanDerWaalsContact C-N 3.32Å; G163-S165 PolarHBondContact O-N 3.36Å; G163-K166 PolarHBondContact O-N 3.39Å; G163-K166 VanDerWaalsContact O-N 3.16Å; G163-A167 WeakPolarHBondContact O-CB 3.25Å; G163-A167 PolarHBondContact O-N 2.9Å
164A96.4Very high94.3Very high47 Ų4729.5 Ų29.539%0.38818%0.18SC..Hα-helixtrans-56.8-44.2175.100000112.3A160 Y162 K166 A167 A168A160-A164 VanDerWaalsContact O-CB 3.22Å; A160-A164 WeakPolarHBondContact O-CB 3.31Å; A160-A164 PolarHBondContact O-N 2.98Å; Y162-A164 PolarHBondContact O-N 3.25Å; A164-K166 PolarHBondContact O-N 2.66Å; A164-A167 PolarHBondContact O-N 2.88Å; A164-A168 PolarHBondContact O-N 2.72Å
165S97.3Very high94.6Very high0 Ų031.9 Ų31.90%020%0.195CC..Hα-helixtrans-66.5-36.6178.276.50000113.3M119 N122 A161 Y162 G163 L169M119-S165 VanDerWaalsContact SD-CA 3.59Å; N122-S165 PolarHBondContact ND2-OG 3.39Å; A161-S165 PolarHBondContact O-N 3.3Å; Y162-S165 PolarHBondContact O-N 2.95Å; Y162-S165 VanDerWaalsContact O-N 3.15Å; Y162-S165 PolarHBondContact O-OG 3.33Å; G163-S165 VanDerWaalsContact C-N 3.32Å; G163-S165 PolarHBondContact O-N 3.36Å; S165-L169 PolarHBondContact O-N 2.91Å
166K96.6Very high95.1Very high4 Ų428.2 Ų28.22%0.01717%0.171CC..Hα-helixtrans-76.4-29.3176.8-69.1-59.3-168179.90112.3I147 Y162 G163 A164 L169 N170I147-K166 PolarHBondContact O-NZ 3.39Å; Y162-K166 HydrophobicContact CD1-CG 4.47Å; Y162-K166 HydrophobicContact CD2-CG 4.36Å; Y162-K166 HydrophobicContact CE1-CG 4.01Å; Y162-K166 HydrophobicContact CE2-CD 4.43Å; Y162-K166 HydrophobicContact CE2-CG 3.92Å; Y162-K166 PolarHBondContact O-N 3.05Å; G163-K166 PolarHBondContact O-N 3.39Å; G163-K166 VanDerWaalsContact O-N 3.16Å; A164-K166 PolarHBondContact O-N 2.66Å; K166-L169 HydrophobicContact CD-CD2 4.06Å; K166-L169 PolarHBondContact O-N 2.82Å; K166-N170 WeakPolarHBondContact O-CB 3.48Å; K166-N170 VanDerWaalsContact O-CG 3.25Å; K166-N170 PolarHBondContact O-N 3.39Å; K166-N170 PolarHBondContact O-OD1 3.38Å
167A97.5Very high95.6Very high40 Ų4029.1 Ų29.133%0.33117%0.173SC..Hα-helixtrans-64.7-46.5170.800000111.1G152 G163 A164 L169 N170 L171G152-A167 VanDerWaalsContact O-CA 3.22Å; G152-A167 WeakPolarHBondContact O-CA 3.31Å; G152-A167 VanDerWaalsContact O-CB 3.23Å; G152-A167 WeakPolarHBondContact O-CB 3.43Å; G163-A167 WeakPolarHBondContact O-CB 3.25Å; G163-A167 PolarHBondContact O-N 2.9Å; A164-A167 PolarHBondContact O-N 2.88Å; A167-L169 VanDerWaalsContact C-N 3.32Å; A167-L169 PolarHBondContact O-N 2.76Å; A167-N170 PolarHBondContact O-N 3.35Å; A167-L171 PolarHBondContact O-N 3.22Å; A167-L171 VanDerWaalsContact O-N 3.08Å
168A98.3Very high96.1Very high29 Ų2934 Ų3424%0.2419%0.192CC..Hα-helixtrans-58.2-44.4173.400000111.6M119 F123 A164 F172M119-A168 HydrophobicContact CE-CB 4.24Å; M119-A168 HydrophobicContact SD-CB 4.4Å; F123-A168 HydrophobicContact CD2-CB 3.64Å; F123-A168 HydrophobicContact CE2-CB 3.89Å; F123-A168 WeakPolarHBondContact CE2-O 3.39Å; F123-A168 HydrophobicContact CG-CB 4.01Å; F123-A168 HydrophobicContact CZ-CB 4.46Å; A164-A168 PolarHBondContact O-N 2.72Å; A168-F172 WeakPolarHBondContact O-CB 3.48Å; A168-F172 PolarHBondContact O-N 2.95Å
169L97.9Very high96.6Very high1 Ų139 Ų391%0.00521%0.214CC..Hα-helixtrans-63.2-41.3176178.260.4000112.6T126 S165 K166 A167 F172 T173T126-L169 HydrophobicContact CG2-CD1 3.54Å; S165-L169 PolarHBondContact O-N 2.91Å; K166-L169 HydrophobicContact CD-CD2 4.06Å; K166-L169 PolarHBondContact O-N 2.82Å; A167-L169 VanDerWaalsContact C-N 3.32Å; A167-L169 PolarHBondContact O-N 2.76Å; L169-F172 HydrophobicContact CD1-CD1 4.38Å; L169-F172 PolarHBondContact O-N 3.07Å; L169-T173 WeakPolarHBondContact O-CB 3.08Å; L169-T173 PolarHBondContact O-N 3.49Å; L169-T173 PolarHBondContact O-OG1 3Å
170N97.4Very high97Very high4 Ų438.3 Ų38.32%0.02121%0.211CC..Hα-helixtrans-60.8-53.9179.1-78.7-6000110.7S148 D153 K166 A167 F172 T173 E174S148-N170 WeakPolarHBondContact CB-OD1 3.15Å; S148-N170 PolarHBondContact OG-OD1 3.04Å; D153-N170 PolarHBondContact OD1-ND2 3.14Å; K166-N170 WeakPolarHBondContact O-CB 3.48Å; K166-N170 VanDerWaalsContact O-CG 3.25Å; K166-N170 PolarHBondContact O-N 3.39Å; K166-N170 PolarHBondContact O-OD1 3.38Å; A167-N170 PolarHBondContact O-N 3.35Å; N170-F172 VanDerWaalsContact C-N 3.33Å; N170-F172 PolarHBondContact O-N 3.39Å; N170-T173 WeakPolarHBondContact O-CB 3.49Å; N170-T173 PolarHBondContact O-N 3.02Å; N170-T173 VanDerWaalsContact O-N 3.08Å; N170-E174 WeakPolarHBondContact O-CG 3.42Å; N170-E174 PolarHBondContact O-N 3.14Å
171L98Very high97.2Very high112 Ų11241.6 Ų41.659%0.58623%0.227SC*.Hα-helixtrans-60.4-43.6179.7-177.659.4000111.6A167 T173 E174 T175A167-L171 PolarHBondContact O-N 3.22Å; A167-L171 VanDerWaalsContact O-N 3.08Å; L171-T173 VanDerWaalsContact C-N 3.31Å; L171-T173 PolarHBondContact O-N 3.34Å; L171-E174 PolarHBondContact O-N 3.44Å; L171-T175 PolarHBondContact O-N 3.41Å; L171-T175 PolarHBondContact O-OG1 2.9Å; L171-T175 VanDerWaalsContact O-OG1 3.09Å
172F98.1Very high97.3Very high39 Ų3946.7 Ų46.717%0.17126%0.26CS..Hα-helixtrans-58.2-42.3174.6171.7-108.3000112.7F123 V127 A168 L169 N170 E174 T175 L176F123-F172 HydrophobicContact CE2-CB 3.86Å; F123-F172 HydrophobicContact CE2-CG 4.28Å; V127-F172 HydrophobicContact CB-CE1 4.47Å; V127-F172 HydrophobicContact CB-CZ 4.26Å; V127-F172 HydrophobicContact CG1-CE2 4.41Å; V127-F172 HydrophobicContact CG1-CZ 4.21Å; V127-F172 HydrophobicContact CG2-CD1 3.98Å; V127-F172 HydrophobicContact CG2-CD2 4.23Å; V127-F172 HydrophobicContact CG2-CE1 3.74Å; V127-F172 HydrophobicContact CG2-CE2 4.02Å; V127-F172 HydrophobicContact CG2-CG 4.2Å; V127-F172 HydrophobicContact CG2-CZ 3.75Å; A168-F172 WeakPolarHBondContact O-CB 3.48Å; A168-F172 PolarHBondContact O-N 2.95Å; L169-F172 HydrophobicContact CD1-CD1 4.38Å; L169-F172 PolarHBondContact O-N 3.07Å; N170-F172 VanDerWaalsContact C-N 3.33Å; N170-F172 PolarHBondContact O-N 3.39Å; F172-E174 VanDerWaalsContact C-N 3.34Å; F172-E174 PolarHBondContact O-N 3.35Å; F172-T175 PolarHBondContact O-N 3.27Å; F172-L176 HydrophobicContact CD1-CD1 4.05Å; F172-L176 HydrophobicContact CD2-CG 4.35Å; F172-L176 HydrophobicContact CE1-CD1 3.37Å; F172-L176 HydrophobicContact CE1-CG 4.11Å; F172-L176 HydrophobicContact CE2-CD1 4.03Å; F172-L176 HydrophobicContact CE2-CD2 4.15Å; F172-L176 HydrophobicContact CE2-CG 3.91Å; F172-L176 HydrophobicContact CZ-CD1 3.37Å; F172-L176 HydrophobicContact CZ-CD2 4.14Å; F172-L176 HydrophobicContact CZ-CG 3.79Å; F172-L176 WeakPolarHBondContact O-CB 3.5Å; F172-L176 WeakPolarHBondContact O-CG 3.2Å; F172-L176 PolarHBondContact O-N 3.07Å
173T97.8Very high97.5Very high0 Ų051.1 Ų51.10%028%0.277CS..Hα-helixtrans-65.3-39.2178.9-53.90000111.7N146 L169 N170 L171 R177 V187 T189N146-T173 HydrophobicContact CB-CG2 4.15Å; N146-T173 WeakPolarHBondContact ND2-CG2 3.19Å; N146-T173 PolarHBondContact ND2-OG1 3.47Å; L169-T173 WeakPolarHBondContact O-CB 3.08Å; L169-T173 PolarHBondContact O-N 3.49Å; L169-T173 PolarHBondContact O-OG1 3Å; N170-T173 WeakPolarHBondContact O-CB 3.49Å; N170-T173 PolarHBondContact O-N 3.02Å; N170-T173 VanDerWaalsContact O-N 3.08Å; L171-T173 VanDerWaalsContact C-N 3.31Å; L171-T173 PolarHBondContact O-N 3.34Å; T173-R177 PolarHBondContact O-N 2.66Å; T173-V187 HydrophobicContact CG2-CG1 3.53Å; T173-T189 WeakPolarHBondContact CG2-OG1 3.5Å
174E97.2Very high97.5Very high65 Ų6552.3 Ų52.330%0.30429%0.288SS..Hα-helixtrans-66.5-46176.3-64.9-172.3159.800111.6N170 L171 F172 L176 R177 H178 R267N170-E174 WeakPolarHBondContact O-CG 3.42Å; N170-E174 PolarHBondContact O-N 3.14Å; L171-E174 PolarHBondContact O-N 3.44Å; F172-E174 VanDerWaalsContact C-N 3.34Å; F172-E174 PolarHBondContact O-N 3.35Å; E174-L176 PolarHBondContact O-N 3.49Å; E174-R177 VanDerWaalsContact O-CB 3.28Å; E174-R177 WeakPolarHBondContact O-CB 3.2Å; E174-R177 PolarHBondContact O-N 3.35Å; E174-R177 VanDerWaalsContact O-N 3.11Å; E174-H178 PolarHBondContact O-CD2 3.29Å; E174-H178 PolarHBondContact O-N 3.44Å; E174-R267 IonicContact OE1-CZ 2.62Å; E174-R267 IonicContact OE1-NH1 3.81Å; E174-R267 PolarHBondContact OE1-NH1 2.94Å
175T98.3Very high97.6Very high57 Ų5750.3 Ų50.335%0.3527%0.271SS..Hα-helixtrans-56.1-50173.7-61.10000111.4L171 F172 R177 H178 E179L171-T175 PolarHBondContact O-N 3.41Å; L171-T175 PolarHBondContact O-OG1 2.9Å; L171-T175 VanDerWaalsContact O-OG1 3.09Å; F172-T175 PolarHBondContact O-N 3.27Å; T175-R177 PolarHBondContact O-N 3.18Å; T175-H178 PolarHBondContact O-N 2.97Å; T175-E179 HydrophobicContact CG2-CG 4.23Å; T175-E179 WeakPolarHBondContact CG2-OE1 3.37Å; T175-E179 WeakPolarHBondContact O-CG 3.43Å; T175-E179 PolarHBondContact O-N 3.26Å
176L97.6Very high97.6Very high10 Ų1054 Ų545%0.05229%0.287CS..Hα-helixtrans-57.1-37.2176.8-79.5-175.7000112.6T130 F172 E174 H178 E179 L180 V187T130-L176 HydrophobicContact CG2-CD1 3.71Å; F172-L176 HydrophobicContact CD1-CD1 4.05Å; F172-L176 HydrophobicContact CD2-CG 4.35Å; F172-L176 HydrophobicContact CE1-CD1 3.37Å; F172-L176 HydrophobicContact CE1-CG 4.11Å; F172-L176 HydrophobicContact CE2-CD1 4.03Å; F172-L176 HydrophobicContact CE2-CD2 4.15Å; F172-L176 HydrophobicContact CE2-CG 3.91Å; F172-L176 HydrophobicContact CZ-CD1 3.37Å; F172-L176 HydrophobicContact CZ-CD2 4.14Å; F172-L176 HydrophobicContact CZ-CG 3.79Å; F172-L176 WeakPolarHBondContact O-CB 3.5Å; F172-L176 WeakPolarHBondContact O-CG 3.2Å; F172-L176 PolarHBondContact O-N 3.07Å; E174-L176 PolarHBondContact O-N 3.49Å; L176-H178 PolarHBondContact O-N 3.05Å; L176-E179 PolarHBondContact O-N 3.3Å; L176-L180 HydrophobicContact CB-CD1 4.3Å; L176-L180 HydrophobicContact CD2-CD1 4.35Å; L176-L180 WeakPolarHBondContact O-CB 3.47Å; L176-L180 WeakPolarHBondContact O-CG 3.32Å; L176-L180 PolarHBondContact O-N 3.4Å; L176-V187 HydrophobicContact CB-CG2 4.42Å
177R97.4Very high97.7Very high48 Ų4854 Ų5418%0.18129%0.288CS..Hα-helixtrans-59.6-38.3178.6-166.5-176.6-58109.4-0.5111.7T173 E174 T175 V181 V187 T189 A266T173-R177 PolarHBondContact O-N 2.66Å; E174-R177 VanDerWaalsContact O-CB 3.28Å; E174-R177 WeakPolarHBondContact O-CB 3.2Å; E174-R177 PolarHBondContact O-N 3.35Å; E174-R177 VanDerWaalsContact O-N 3.11Å; T175-R177 PolarHBondContact O-N 3.18Å; R177-V181 VanDerWaalsContact O-CG2 3.25Å; R177-V181 WeakPolarHBondContact O-CG2 3.34Å; R177-V187 HydrophobicContact CB-CB 4.02Å; R177-V187 HydrophobicContact CG-CB 4.21Å; R177-V187 PolarHBondContact NE-O 3.2Å; R177-T189 PolarHBondContact NH2-OG1 3.32Å; R177-A266 PolarHBondContact NH2-O 3.43Å
178H97.8Very high97.8Very high142 Ų14252.2 Ų52.266%0.65727%0.273SS*.Hα-helixtrans-75.7-45.9176.9-68.6-75.8000111.9E174 T175 L176 L180 V181E174-H178 PolarHBondContact O-CD2 3.29Å; E174-H178 PolarHBondContact O-N 3.44Å; T175-H178 PolarHBondContact O-N 2.97Å; L176-H178 PolarHBondContact O-N 3.05Å; H178-L180 VanDerWaalsContact C-N 3.25Å; H178-L180 PolarHBondContact O-N 2.91Å; H178-V181 PolarHBondContact O-N 3.46Å
179E98.2Very high97.8Very high116 Ų11650.8 Ų50.854%0.54226%0.261SS..Hα-helixtrans-64.4-29.7-177.9-69179.4170.600113.2T175 L176 P182T175-E179 HydrophobicContact CG2-CG 4.23Å; T175-E179 WeakPolarHBondContact CG2-OE1 3.37Å; T175-E179 WeakPolarHBondContact O-CG 3.43Å; T175-E179 PolarHBondContact O-N 3.26Å; L176-E179 PolarHBondContact O-N 3.3Å; E179-P182 WeakPolarHBondContact O-CD 3.46Å
180L98.1Very high97.7Very high6 Ų650.8 Ų50.83%0.03126%0.261CS..THydrogen-bonded Turntrans-92.3-3.3-174.4-64.6180000114.8L134 I144 L176 H178 W183 G184 V185 V187L134-L180 HydrophobicContact CD1-CD1 3.88Å; L134-L180 HydrophobicContact CD1-CD2 4.08Å; L134-L180 HydrophobicContact CD2-CD2 4.13Å; L134-L180 HydrophobicContact CG-CD2 4.38Å; I144-L180 HydrophobicContact CD1-CD1 3.67Å; L176-L180 HydrophobicContact CB-CD1 4.3Å; L176-L180 HydrophobicContact CD2-CD1 4.35Å; L176-L180 WeakPolarHBondContact O-CB 3.47Å; L176-L180 WeakPolarHBondContact O-CG 3.32Å; L176-L180 PolarHBondContact O-N 3.4Å; H178-L180 VanDerWaalsContact C-N 3.25Å; H178-L180 PolarHBondContact O-N 2.91Å; L180-W183 WeakPolarHBondContact O-CB 3.46Å; L180-W183 PolarHBondContact O-N 3.02Å; L180-W183 VanDerWaalsContact O-N 3.07Å; L180-G184 PolarHBondContact O-N 3.09Å; L180-V185 HydrophobicContact CB-CB 4.13Å; L180-V185 HydrophobicContact CD1-CB 4.39Å; L180-V185 HydrophobicContact CD1-CG1 4.05Å; L180-V185 PolarHBondContact O-N 3.29Å; L180-V187 HydrophobicContact CD1-CG2 3.83Å
181V97.1Very high97.7Very high101 Ų10150.6 Ų50.661%0.61226%0.26SS*.G310 helixtrans-54.3-49.1175.91770000112.5R177 H178 W183 G184R177-V181 VanDerWaalsContact O-CG2 3.25Å; R177-V181 WeakPolarHBondContact O-CG2 3.34Å; H178-V181 PolarHBondContact O-N 3.46Å; V181-W183 PolarHBondContact O-N 3.1Å; V181-W183 VanDerWaalsContact O-N 3.12Å; V181-G184 PolarHBondContact O-N 3.27Å
182P97.7Very high97.4Very high112 Ų11245.8 Ų45.873%0.72724%0.236SC*.G310 helixtrans-63.1-22.3-179.6-21.635.1000113.3E179E179-P182 WeakPolarHBondContact O-CD 3.46Å
183W97Very high96.9Very high132 Ų13245.2 Ų45.250%0.524%0.237SC..G310 helixtrans-89-4.7179-58.296.4000113.2R138 L180 V181 V185R138-W183 HydrophobicContact CB-CE3 4.31Å; R138-W183 VanDerWaalsContact CD-CD2 3.47Å; R138-W183 VanDerWaalsContact CD-CE3 3.46Å; R138-W183 HydrophobicContact CG-CB 4.04Å; R138-W183 HydrophobicContact CG-CD2 4.15Å; R138-W183 HydrophobicContact CG-CE3 4.1Å; R138-W183 HydrophobicContact CG-CG 4.16Å; L180-W183 WeakPolarHBondContact O-CB 3.46Å; L180-W183 PolarHBondContact O-N 3.02Å; L180-W183 VanDerWaalsContact O-N 3.07Å; V181-W183 PolarHBondContact O-N 3.1Å; V181-W183 VanDerWaalsContact O-N 3.12Å; W183-V185 HydrophobicContact CB-CG2 4.39Å; W183-V185 PolarHBondContact O-N 2.86Å
184G96.3Very high96.3Very high33 Ų3348.5 Ų48.534%0.3426%0.26SS..THydrogen-bonded Turntrans68.413.9-177.800000114.4K141 L180 V181K141-G184 CarbonylContact C-O 3.51Å; L180-G184 PolarHBondContact O-N 3.09Å; V181-G184 PolarHBondContact O-N 3.27Å
185V97.7Very high95.8Very high5 Ų545.9 Ų45.93%0.0325%0.247CC..  trans-89.3126.7176.7176.20000108.7L137 R138 G142 I144 L180 W183L137-V185 HydrophobicContact CB-CG2 4.38Å; R138-V185 HydrophobicContact CG-CG2 4.27Å; G142-V185 WeakPolarHBondContact O-CA 3.21Å; I144-V185 HydrophobicContact CD1-CG1 4.02Å; I144-V185 HydrophobicContact CG1-CG1 4.07Å; L180-V185 HydrophobicContact CB-CB 4.13Å; L180-V185 HydrophobicContact CD1-CB 4.39Å; L180-V185 HydrophobicContact CD1-CG1 4.05Å; L180-V185 PolarHBondContact O-N 3.29Å; W183-V185 HydrophobicContact CB-CG2 4.39Å; W183-V185 PolarHBondContact O-N 2.86Å
186K98.3Very high94.9Very high77 Ų7747.4 Ų47.434%0.33525%0.249SC..EExtended strand (participates in β ladder)trans-96.4142.7178.5-50.6-173.3-177.7-172.60110.7G142 R143 I144 P262 P264G142-K186 PolarHBondContact O-N 2.84Å; G142-K186 VanDerWaalsContact O-N 3.1Å; R143-K186 CarbonylContact C-O 3.59Å; R143-K186 WeakPolarHBondContact CA-O 3.25Å; I144-K186 PolarHBondContact N-O 3.37Å; K186-P262 PolarHBondContact NZ-O 3.23Å; K186-P264 HydrophobicContact CB-CG 4.22Å; K186-P264 HydrophobicContact CD-CG 3.53Å
187V98.4Very high93.7Very high5 Ų548.4 Ų48.43%0.0326%0.255CS..EExtended strand (participates in β ladder)trans-125.6125.2-176.8-171.10000110I144 T173 L176 R177 L180I144-V187 HydrophobicContact CB-CG1 4.18Å; I144-V187 HydrophobicContact CB-CG2 4.25Å; I144-V187 HydrophobicContact CD1-CG2 4.27Å; I144-V187 HydrophobicContact CG2-CG1 4.29Å; I144-V187 CarbonylContact O-C 3.52Å; I144-V187 WeakPolarHBondContact O-CA 3.28Å; T173-V187 HydrophobicContact CG2-CG1 3.53Å; L176-V187 HydrophobicContact CB-CG2 4.42Å; R177-V187 HydrophobicContact CB-CB 4.02Å; R177-V187 HydrophobicContact CG-CB 4.21Å; R177-V187 PolarHBondContact NE-O 3.2Å; L180-V187 HydrophobicContact CD1-CG2 3.83Å
188S98.5Very high92Very high2 Ų248.3 Ų48.31%0.01427%0.265CS..EExtended strand (participates in β ladder)trans-121.7144.3179.1-53.50000111I144 V145 N146 Q265 A266I144-S188 PolarHBondContact O-N 3.07Å; V145-S188 WeakPolarHBondContact CA-O 3.38Å; N146-S188 PolarHBondContact N-O 3.11Å; S188-Q265 PolarHBondContact OG-O 2.92Å; S188-Q265 VanDerWaalsContact OG-O 3.08Å; S188-A266 WeakPolarHBondContact CA-O 3.36Å
189T98.1Very high90.3Very high0 Ų045 Ų450%026%0.256CS..EExtended strand (participates in β ladder)trans-107.4133.7170.3-49.40000108.9N146 T173 R177 L191 A266 R267 Y268N146-T189 WeakPolarHBondContact O-CA 3.39Å; T173-T189 WeakPolarHBondContact CG2-OG1 3.5Å; R177-T189 PolarHBondContact NH2-OG1 3.32Å; T189-L191 HydrophobicContact CG2-CD2 4.18Å; T189-L191 HydrophobicContact CG2-CG 4.26Å; T189-A266 PolarHBondContact N-O 2.97Å; T189-R267 CarbonylContact O-C 3.58Å; T189-R267 WeakPolarHBondContact O-CA 3.29Å; T189-Y268 PolarHBondContact O-N 2.93Å
190I97.6Very high88.4Confident0 Ų040.7 Ų40.70%024%0.239CC..EExtended strand (participates in β ladder)trans-108132.5169.9-57.7178.9000108V145 N146 I147 S148 P192 V251 A254 I255 Y268 A270V145-I190 HydrophobicContact CG1-CD1 3.42Å; V145-I190 VanDerWaalsContact CG1-CD1 3.42Å; V145-I190 HydrophobicContact CG1-CG1 3.84Å; N146-I190 PolarHBondContact O-N 3.48Å; I147-I190 HydrophobicContact CD1-CB 3.86Å; I147-I190 HydrophobicContact CD1-CD1 3.82Å; I147-I190 HydrophobicContact CD1-CG1 4.24Å; I147-I190 HydrophobicContact CD1-CG2 4.38Å; S148-I190 PolarHBondContact N-O 3.23Å; I190-P192 HydrophobicContact CG2-CG 4.43Å; I190-P192 WeakPolarHBondContact O-CD 3.47Å; I190-V251 HydrophobicContact CG2-CG1 4.22Å; I190-A254 HydrophobicContact CD1-CB 3.97Å; I190-A254 HydrophobicContact CG1-CB 4.39Å; I190-A254 HydrophobicContact CG2-CB 4.23Å; I190-I255 HydrophobicContact CD1-CB 4.05Å; I190-I255 HydrophobicContact CD1-CG1 3.33Å; I190-Y268 HydrophobicContact CG1-CD2 4.25Å; I190-Y268 HydrophobicContact CG1-CG 4.47Å; I190-A270 HydrophobicContact CG2-CB 4.09Å
191L95.9Very high86.7Confident0 Ų043.7 Ų43.70%026%0.26CS..EExtended strand (participates in β ladder)trans-118.594.2-177.7-60.2152.9000106.8S149 P150 T189 R267 Y268 Y269 A270 I274S149-L191 WeakPolarHBondContact O-CD2 3.35Å; P150-L191 HydrophobicContact CG-CB 4.48Å; T189-L191 HydrophobicContact CG2-CD2 4.18Å; T189-L191 HydrophobicContact CG2-CG 4.26Å; L191-R267 HydrophobicContact CD1-CB 4.43Å; L191-R267 VanDerWaalsContact CD1-NH2 3.33Å; L191-Y268 PolarHBondContact N-O 2.68Å; L191-Y269 HydrophobicContact CB-CD1 4.34Å; L191-Y269 HydrophobicContact CD1-CD1 3.61Å; L191-Y269 HydrophobicContact CD1-CE1 3.4Å; L191-A270 PolarHBondContact O-N 3.29Å; L191-I274 HydrophobicContact CB-CD1 4.28Å; L191-I274 WeakPolarHBondContact O-CD1 3.41Å
192P93.3Very high85.8Confident11 Ų1142.5 Ų42.57%0.07125%0.25CS..EExtended strand (participates in β ladder)trans-72.4145.2177-18.534000111.6F23 I147 S148 P150 I190 Y195 V251 A270F23-P192 HydrophobicContact CE2-CB 4.15Å; F23-P192 HydrophobicContact CE2-CG 4.03Å; F23-P192 HydrophobicContact CZ-CB 4.02Å; F23-P192 HydrophobicContact CZ-CG 4.33Å; I147-P192 HydrophobicContact CG2-CG 3.93Å; S148-P192 VanDerWaalsContact O-CD 3.29Å; S148-P192 WeakPolarHBondContact O-CD 3.38Å; P150-P192 WeakPolarHBondContact CD-O 3.4Å; I190-P192 HydrophobicContact CG2-CG 4.43Å; I190-P192 WeakPolarHBondContact O-CD 3.47Å; P192-Y195 HydrophobicContact CB-CD2 3.88Å; P192-Y195 HydrophobicContact CB-CE2 3.79Å; P192-V251 HydrophobicContact CB-CG2 3.93Å; P192-V251 HydrophobicContact CG-CG1 4.36Å; P192-V251 HydrophobicContact CG-CG2 4.24Å; P192-A270 WeakPolarHBondContact CA-O 3.21Å
193S87.5Confident84.9Confident27 Ų2741.2 Ų41.219%0.18924%0.237CC..  trans-69-164.715867.30000111.5Y195 A270 G271S193-Y195 WeakPolarHBondContact O-CD2 3.39Å; S193-Y195 PolarHBondContact O-N 2.86Å; S193-Y195 VanDerWaalsContact OG-CE2 3.23Å; S193-Y195 WeakPolarHBondContact OG-CE2 3.31Å; S193-A270 PolarHBondContact N-O 3.16Å; S193-G271 WeakPolarHBondContact OG-CA 3.49Å
194S85.4Confident84.3Confident69 Ų6938.3 Ų38.348%0.48324%0.242SC..SBendtrans-73.1122.9172.3-168.90000111.1A244 N245S194-A244 VanDerWaalsContact OG-CB 3.24Å; S194-A244 WeakPolarHBondContact OG-CB 3.48Å; S194-N245 PolarHBondContact O-N 3.42Å; S194-N245 VanDerWaalsContact O-N 3.08Å
195Y84.7Confident83.7Confident10 Ų1039.8 Ų39.84%0.03924%0.237CC..BIsolated β-bridgetrans-130.6150.1176.5-69.1-91.1000111.5F23 P192 S193 T197 S200 N245 D247 L248 V251 A270 G271F23-Y195 HydrophobicContact CE1-CD1 4.29Å; F23-Y195 AromaticContact CE1-CD2 4Å; F23-Y195 HydrophobicContact CE1-CD2 4Å; F23-Y195 AromaticContact CE1-CG 3.83Å; F23-Y195 HydrophobicContact CE1-CG 3.83Å; F23-Y195 AromaticContact CZ-CD2 3.56Å; F23-Y195 HydrophobicContact CZ-CD2 3.56Å; F23-Y195 HydrophobicContact CZ-CE2 4.34Å; F23-Y195 AromaticContact CZ-CG 3.7Å; F23-Y195 HydrophobicContact CZ-CG 3.7Å; P192-Y195 HydrophobicContact CB-CD2 3.88Å; P192-Y195 HydrophobicContact CB-CE2 3.79Å; S193-Y195 WeakPolarHBondContact O-CD2 3.39Å; S193-Y195 PolarHBondContact O-N 2.86Å; S193-Y195 VanDerWaalsContact OG-CE2 3.23Å; S193-Y195 WeakPolarHBondContact OG-CE2 3.31Å; Y195-T197 PolarHBondContact O-N 2.84Å; Y195-T197 VanDerWaalsContact O-N 3.12Å; Y195-S200 PolarHBondContact O-OG 3.39Å; Y195-N245 CarbonylContact C-O 3.56Å; Y195-N245 VanDerWaalsContact CA-O 3.3Å; Y195-N245 WeakPolarHBondContact CA-O 3.33Å; Y195-N245 HydrophobicContact CD1-CB 3.78Å; Y195-N245 HydrophobicContact CE1-CB 3.97Å; Y195-D247 VanDerWaalsContact CD1-O 3.3Å; Y195-D247 WeakPolarHBondContact CD1-O 3.35Å; Y195-D247 WeakPolarHBondContact CE1-O 3.42Å; Y195-L248 HydrophobicContact CD1-CD2 4.04Å; Y195-L248 HydrophobicContact CG-CD2 4.31Å; Y195-V251 HydrophobicContact CD2-CG2 4.07Å; Y195-V251 HydrophobicContact CE1-CG2 4.26Å; Y195-V251 HydrophobicContact CE2-CG2 3.48Å; Y195-V251 VanDerWaalsContact CE2-CG2 3.48Å; Y195-A270 VanDerWaalsContact CE2-O 3.3Å; Y195-A270 WeakPolarHBondContact CE2-O 3.45Å; Y195-A270 PolarHBondContact OH-O 3.16Å; Y195-G271 WeakPolarHBondContact OH-CA 3.43Å; Y195-G271 PolarHBondContact OH-N 2.68Å
196K79.4Confident83Confident90 Ų9040.6 Ų40.639%0.39124%0.24SC..  trans-74.4101.9173.3-67.1-176.9173.4-179.80109.7E242 A244 N245 P246K196-E242 WeakPolarHBondContact CE-O 3.12Å; K196-E242 PolarHBondContact NZ-O 3.12Å; K196-A244 WeakPolarHBondContact CE-O 3.33Å; K196-A244 HydrophobicContact CG-CB 3.8Å; K196-A244 WeakPolarHBondContact CG-O 3.44Å; K196-N245 PolarHBondContact N-O 3.16Å; K196-P246 HydrophobicContact CD-CB 4.22Å
197T74.3Confident82.5Confident31 Ų3140.1 Ų40.119%0.1924%0.239CC..  trans-117.7153.3170.261.80000109.4F23 Y195 P199 S200 S201 L248F23-T197 HydrophobicContact CE1-CG2 4.47Å; F23-T197 HydrophobicContact CE2-CG2 4.16Å; F23-T197 HydrophobicContact CZ-CG2 4.15Å; Y195-T197 PolarHBondContact O-N 2.84Å; Y195-T197 VanDerWaalsContact O-N 3.12Å; T197-P199 VanDerWaalsContact C-N 3.29Å; T197-P199 VanDerWaalsContact O-N 3.14Å; T197-S200 PolarHBondContact N-OG 3.34Å; T197-S200 VanDerWaalsContact N-OG 3.15Å; T197-S200 PolarHBondContact O-N 3.06Å; T197-S200 PolarHBondContact O-OG 3.45Å; T197-S200 PolarHBondContact OG1-OG 3.46Å; T197-S201 PolarHBondContact O-N 2.86Å; T197-S201 VanDerWaalsContact O-N 3.15Å; T197-S201 PolarHBondContact O-OG 3.06Å; T197-L248 HydrophobicContact CG2-CD2 4.49Å
198A61.2Low82Confident45 Ų4544.8 Ų44.837%0.37226%0.26SS..THydrogen-bonded Turntrans-53.1-37.3-173.100000114.6T21 S201 N202T21-A198 HydrophobicContact CG2-CB 3.69Å; A198-S201 PolarHBondContact O-OG 3.36Å; A198-N202 PolarHBondContact O-N 3.04Å
199P61.9Low81.4Confident73 Ų7345.8 Ų45.847%0.47427%0.265SS..THydrogen-bonded Turntrans-65.6-38.1174.9-22.534.8000113.6T197 W206T197-P199 VanDerWaalsContact C-N 3.29Å; T197-P199 VanDerWaalsContact O-N 3.14Å; P199-W206 PolarHBondContact O-NE1 3.32Å
200S58.8Low81Confident26 Ų2646.4 Ų46.418%0.18227%0.267CS..THydrogen-bonded Turntrans-74.9-28.3-178.2610000112.7Y195 T197 W206 A241Y195-S200 PolarHBondContact O-OG 3.39Å; T197-S200 PolarHBondContact N-OG 3.34Å; T197-S200 VanDerWaalsContact N-OG 3.15Å; T197-S200 PolarHBondContact O-N 3.06Å; T197-S200 PolarHBondContact O-OG 3.45Å; T197-S200 PolarHBondContact OG1-OG 3.46Å; S200-W206 PolarHBondContact O-NE1 2.95Å; S200-A241 WeakPolarHBondContact O-CB 3.33Å
201S62.3Low80.6Confident69 Ų6951.1 Ų51.148%0.48329%0.289SS..THydrogen-bonded Turntrans-94.26.2-178.261.80000114.8T197 A198 N203T197-S201 PolarHBondContact O-N 2.86Å; T197-S201 VanDerWaalsContact O-N 3.15Å; T197-S201 PolarHBondContact O-OG 3.06Å; A198-S201 PolarHBondContact O-OG 3.36Å; S201-N203 PolarHBondContact O-N 3.01Å
202N77.3Confident80.3Confident75 Ų7554.9 Ų54.940%0.40131%0.307SS..  trans-90.790.8-178.7-174.1-11.3000111.2A198 A204 Y205 W206A198-N202 PolarHBondContact O-N 3.04Å; N202-A204 VanDerWaalsContact C-N 3.28Å; N202-A204 PolarHBondContact O-N 2.76Å; N202-A204 PolarHBondContact OD1-N 3.09Å; N202-Y205 VanDerWaalsContact CG-CB 3.48Å; N202-Y205 WeakPolarHBondContact O-CB 3.39Å; N202-Y205 PolarHBondContact O-N 3.24Å; N202-Y205 PolarHBondContact OD1-N 2.93Å; N202-Y205 VanDerWaalsContact OD1-N 3.09Å; N202-W206 PolarHBondContact O-N 3.37Å
203N79.7Confident80.2Confident85 Ų8554.5 Ų54.546%0.45531%0.305SS..Hα-helixtrans-59-38.3-178.9-70.4-0.3000112.8S201 Y205 W206 E207S201-N203 PolarHBondContact O-N 3.01Å; N203-Y205 PolarHBondContact O-N 3.42Å; N203-W206 PolarHBondContact O-N 2.89Å; N203-E207 WeakPolarHBondContact O-CB 3.14Å; N203-E207 PolarHBondContact O-N 3.36Å
204A84.3Confident80.4Confident72 Ų7254.7 Ų54.760%0.59530%0.303SS*.Hα-helixtrans-65.2-39.1179.200000112.1N202 E207 Q208N202-A204 VanDerWaalsContact C-N 3.28Å; N202-A204 PolarHBondContact O-N 2.76Å; N202-A204 PolarHBondContact OD1-N 3.09Å; A204-E207 PolarHBondContact O-N 3.16Å; A204-Q208 WeakPolarHBondContact O-CB 3.43Å; A204-Q208 PolarHBondContact O-N 3.46Å
205Y83.6Confident80.7Confident63 Ų6359 Ų5925%0.24732%0.316CS..Hα-helixtrans-60.8-48.6173.6170-99.6000111.2N202 N203 E207 Q208 Q209N202-Y205 VanDerWaalsContact CG-CB 3.48Å; N202-Y205 WeakPolarHBondContact O-CB 3.39Å; N202-Y205 PolarHBondContact O-N 3.24Å; N202-Y205 PolarHBondContact OD1-N 2.93Å; N202-Y205 VanDerWaalsContact OD1-N 3.09Å; N203-Y205 PolarHBondContact O-N 3.42Å; Y205-E207 VanDerWaalsContact C-N 3.33Å; Y205-E207 PolarHBondContact O-N 2.93Å; Y205-Q208 PolarHBondContact O-N 3.36Å; Y205-Q209 HydrophobicContact CD1-CG 4.21Å; Y205-Q209 HydrophobicContact CD2-CG 4.25Å; Y205-Q209 HydrophobicContact CE1-CG 3.75Å; Y205-Q209 HydrophobicContact CE2-CG 3.79Å; Y205-Q209 HydrophobicContact CG-CG 4.45Å; Y205-Q209 WeakPolarHBondContact O-CG 3.39Å; Y205-Q209 PolarHBondContact O-N 2.87Å
206W82.8Confident81.1Confident22 Ų2261.7 Ų61.78%0.08334%0.336CS..Hα-helixtrans-66-34.9-179.5-70.7117.1000113.1C101 L104 P199 S200 N202 N203 Q209 H210C101-W206 WeakPolarHBondContact O-CH2 3.42Å; L104-W206 HydrophobicContact CD1-CD2 4.27Å; L104-W206 HydrophobicContact CD1-CE3 3.79Å; L104-W206 HydrophobicContact CD1-CH2 4.13Å; L104-W206 HydrophobicContact CD1-CZ3 3.72Å; L104-W206 HydrophobicContact CD2-CH2 4.47Å; L104-W206 HydrophobicContact CD2-CZ3 4.48Å; L104-W206 HydrophobicContact CG-CE3 4.28Å; L104-W206 HydrophobicContact CG-CH2 4.21Å; L104-W206 HydrophobicContact CG-CZ3 3.77Å; P199-W206 PolarHBondContact O-NE1 3.32Å; S200-W206 PolarHBondContact O-NE1 2.95Å; N202-W206 PolarHBondContact O-N 3.37Å; N203-W206 PolarHBondContact O-N 2.89Å; W206-Q209 HydrophobicContact CE3-CB 4.49Å; W206-Q209 PolarHBondContact O-N 3.44Å; W206-H210 WeakPolarHBondContact O-CB 3.44Å; W206-H210 PolarHBondContact O-N 3.39Å
207E87.3Confident81.8Confident68 Ų6858 Ų5832%0.31832%0.321SS..Hα-helixtrans-65.7-43.3174.1-165.157-13600111.3N203 A204 Y205 Q209 H210 Q211 K234N203-E207 WeakPolarHBondContact O-CB 3.14Å; N203-E207 PolarHBondContact O-N 3.36Å; A204-E207 PolarHBondContact O-N 3.16Å; Y205-E207 VanDerWaalsContact C-N 3.33Å; Y205-E207 PolarHBondContact O-N 2.93Å; E207-Q209 PolarHBondContact O-N 2.56Å; E207-H210 WeakPolarHBondContact O-CB 3.17Å; E207-H210 PolarHBondContact O-N 2.84Å; E207-H210 IonicContact OE1-ND1 3.86Å; E207-Q211 WeakPolarHBondContact O-CG 3.46Å; E207-Q211 PolarHBondContact O-N 2.99Å; E207-K234 IonicContact OE1-NZ 3.92Å; E207-K234 IonicContact OE2-NZ 2.6Å; E207-K234 PolarHBondContact OE2-NZ 2.7Å
208Q87.6Confident82.7Confident103 Ų10359.7 Ų59.748%0.48133%0.332SS..Hα-helixtrans-62-44174.9-175.4-175.84.900111.9A204 Y205 H210 Q211 Q212A204-Q208 WeakPolarHBondContact O-CB 3.43Å; A204-Q208 PolarHBondContact O-N 3.46Å; Y205-Q208 PolarHBondContact O-N 3.36Å; Q208-H210 VanDerWaalsContact C-N 3.33Å; Q208-H210 PolarHBondContact O-N 2.97Å; Q208-Q211 PolarHBondContact O-N 3.1Å; Q208-Q212 WeakPolarHBondContact O-CB 3.44Å; Q208-Q212 VanDerWaalsContact O-CG 3.3Å; Q208-Q212 WeakPolarHBondContact O-CG 3.41Å; Q208-Q212 PolarHBondContact O-N 3.19Å
209Q85.8Confident84.2Confident22 Ų2263 Ų6310%0.10335%0.35CS..Hα-helixtrans-61.3-42.7176.8-73.4-50-80.300111.6N103 Y205 W206 E207 Q212 L213N103-Q209 WeakPolarHBondContact OD1-CB 3.39Å; N103-Q209 PolarHBondContact OD1-O 2.94Å; Y205-Q209 HydrophobicContact CD1-CG 4.21Å; Y205-Q209 HydrophobicContact CD2-CG 4.25Å; Y205-Q209 HydrophobicContact CE1-CG 3.75Å; Y205-Q209 HydrophobicContact CE2-CG 3.79Å; Y205-Q209 HydrophobicContact CG-CG 4.45Å; Y205-Q209 WeakPolarHBondContact O-CG 3.39Å; Y205-Q209 PolarHBondContact O-N 2.87Å; W206-Q209 HydrophobicContact CE3-CB 4.49Å; W206-Q209 PolarHBondContact O-N 3.44Å; E207-Q209 PolarHBondContact O-N 2.56Å; Q209-Q212 PolarHBondContact O-N 3.08Å; Q209-L213 WeakPolarHBondContact O-CB 3.47Å; Q209-L213 PolarHBondContact O-N 3.47Å
210H89.8Confident85.8Confident13 Ų1362.4 Ų62.46%0.0635%0.351CS..Hα-helixtrans-61.1-48175.4179-118.6000112.3W206 E207 Q208 Q212 L213 L214 T231 K234W206-H210 WeakPolarHBondContact O-CB 3.44Å; W206-H210 PolarHBondContact O-N 3.39Å; E207-H210 WeakPolarHBondContact O-CB 3.17Å; E207-H210 PolarHBondContact O-N 2.84Å; E207-H210 IonicContact OE1-ND1 3.86Å; Q208-H210 VanDerWaalsContact C-N 3.33Å; Q208-H210 PolarHBondContact O-N 2.97Å; H210-Q212 VanDerWaalsContact C-N 3.33Å; H210-Q212 PolarHBondContact O-N 2.9Å; H210-L213 WeakPolarHBondContact O-CB 3.39Å; H210-L213 PolarHBondContact O-N 3.04Å; H210-L213 VanDerWaalsContact O-N 3.17Å; H210-L214 VanDerWaalsContact CE1-CD1 3.48Å; H210-L214 WeakPolarHBondContact CE1-CD1 3.4Å; H210-L214 WeakPolarHBondContact O-CG 3.42Å; H210-L214 PolarHBondContact O-N 3.22Å; H210-T231 PolarHBondContact CE1-OG1 3.47Å; H210-T231 PolarHBondContact NE2-OG1 2.92Å; H210-K234 HydrophobicContact CB-CD 3.64Å; H210-K234 HydrophobicContact CB-CG 4.26Å
211Q90.4Very high87.4Confident99 Ų9962.4 Ų62.446%0.46335%0.349SS..Hα-helixtrans-60.4-42.8177-71.9176.9-5.900112.2E207 Q208 L213 L214 Q215E207-Q211 WeakPolarHBondContact O-CG 3.46Å; E207-Q211 PolarHBondContact O-N 2.99Å; Q208-Q211 PolarHBondContact O-N 3.1Å; Q211-L213 VanDerWaalsContact C-N 3.32Å; Q211-L213 PolarHBondContact O-N 3.08Å; Q211-L214 PolarHBondContact O-N 2.92Å; Q211-Q215 WeakPolarHBondContact O-CB 3.3Å; Q211-Q215 VanDerWaalsContact O-CG 3.27Å; Q211-Q215 WeakPolarHBondContact O-CG 3.46Å; Q211-Q215 PolarHBondContact O-N 3.49Å
212Q89.9Confident88.9Confident79 Ų7961 Ų6137%0.36934%0.335SS..Hα-helixtrans-61.8-40.5175.9-75.4177.6-15.700112Q208 Q209 H210 S216Q208-Q212 WeakPolarHBondContact O-CB 3.44Å; Q208-Q212 VanDerWaalsContact O-CG 3.3Å; Q208-Q212 WeakPolarHBondContact O-CG 3.41Å; Q208-Q212 PolarHBondContact O-N 3.19Å; Q209-Q212 PolarHBondContact O-N 3.08Å; H210-Q212 VanDerWaalsContact C-N 3.33Å; H210-Q212 PolarHBondContact O-N 2.9Å; Q212-S216 VanDerWaalsContact O-CB 3.24Å; Q212-S216 WeakPolarHBondContact O-CB 3.49Å; Q212-S216 PolarHBondContact O-N 3.39Å; Q212-S216 VanDerWaalsContact O-N 3.08Å; Q212-S216 PolarHBondContact O-OG 3.38Å
213L90.3Very high89.7Confident4 Ų463 Ų632%0.02134%0.342CS..Hα-helixtrans-60.5-53.6174.8174.763.9000110.7L109 L111 Q209 H210 Q211 Q215 S216 L217 I230L109-L213 VanDerWaalsContact O-CD1 3.26Å; L109-L213 WeakPolarHBondContact O-CD1 3.49Å; L111-L213 HydrophobicContact CG-CD1 4.22Å; Q209-L213 WeakPolarHBondContact O-CB 3.47Å; Q209-L213 PolarHBondContact O-N 3.47Å; H210-L213 WeakPolarHBondContact O-CB 3.39Å; H210-L213 PolarHBondContact O-N 3.04Å; H210-L213 VanDerWaalsContact O-N 3.17Å; Q211-L213 VanDerWaalsContact C-N 3.32Å; Q211-L213 PolarHBondContact O-N 3.08Å; L213-Q215 VanDerWaalsContact C-N 3.29Å; L213-Q215 PolarHBondContact O-N 3.07Å; L213-S216 PolarHBondContact O-N 3.25Å; L213-L217 HydrophobicContact CD1-CD1 4.05Å; L213-L217 HydrophobicContact CD1-CD2 4.15Å; L213-L217 HydrophobicContact CD1-CG 3.89Å; L213-L217 HydrophobicContact CG-CD1 3.97Å; L213-L217 HydrophobicContact CG-CG 4.27Å; L213-L217 VanDerWaalsContact O-CG 3.31Å; L213-L217 WeakPolarHBondContact O-CG 3.45Å; L213-L217 PolarHBondContact O-N 3.43Å; L213-I230 HydrophobicContact CD2-CG2 3.92Å
214L91.9Very high90.4Very high31 Ų3163.6 Ų63.616%0.16234%0.342CS..Hα-helixtrans-57.6-41.1-179.2-65.4179.4000112.3H210 Q211 S216 M222 E227 I230H210-L214 VanDerWaalsContact CE1-CD1 3.48Å; H210-L214 WeakPolarHBondContact CE1-CD1 3.4Å; H210-L214 WeakPolarHBondContact O-CG 3.42Å; H210-L214 PolarHBondContact O-N 3.22Å; Q211-L214 PolarHBondContact O-N 2.92Å; L214-S216 VanDerWaalsContact C-N 3.32Å; L214-S216 PolarHBondContact O-N 3.24Å; L214-M222 HydrophobicContact CB-CE 4.15Å; L214-M222 HydrophobicContact CD2-CE 3.56Å; L214-M222 HydrophobicContact CD2-SD 4.32Å; L214-M222 HydrophobicContact CG-CE 4.46Å; L214-E227 HydrophobicContact CD1-CG 3.89Å; L214-E227 HydrophobicContact CD2-CG 4Å; L214-I230 HydrophobicContact CD2-CB 4.2Å; L214-I230 HydrophobicContact CD2-CD1 3.96Å; L214-I230 HydrophobicContact CD2-CG2 3.9Å
215Q92.4Very high90.9Very high158 Ų15861.6 Ų61.674%0.73832%0.32SS*.Hα-helixtrans-70-27.2178.3-71.3172.94.600113.7Q211 L213Q211-Q215 WeakPolarHBondContact O-CB 3.3Å; Q211-Q215 VanDerWaalsContact O-CG 3.27Å; Q211-Q215 WeakPolarHBondContact O-CG 3.46Å; Q211-Q215 PolarHBondContact O-N 3.49Å; L213-Q215 VanDerWaalsContact C-N 3.29Å; L213-Q215 PolarHBondContact O-N 3.07Å
216S92.3Very high91.4Very high68 Ų6858.6 Ų58.648%0.47631%0.308SS..Hα-helixtrans-97.6-10.6-174.8-55.80000113.3Q212 L213 L214Q212-S216 VanDerWaalsContact O-CB 3.24Å; Q212-S216 WeakPolarHBondContact O-CB 3.49Å; Q212-S216 PolarHBondContact O-N 3.39Å; Q212-S216 VanDerWaalsContact O-N 3.08Å; Q212-S216 PolarHBondContact O-OG 3.38Å; L213-S216 PolarHBondContact O-N 3.25Å; L214-S216 VanDerWaalsContact C-N 3.32Å; L214-S216 PolarHBondContact O-N 3.24Å
217L93Very high91.9Very high13 Ų1362.5 Ų62.57%0.06833%0.327CS..SBendtrans-71138.4-178.9-84.8170.7000111.5L109 L213 L221 M222 I230L109-L217 HydrophobicContact CB-CD2 4.45Å; L109-L217 HydrophobicContact CD2-CD1 4.34Å; L109-L217 HydrophobicContact CD2-CD2 4.03Å; L213-L217 HydrophobicContact CD1-CD1 4.05Å; L213-L217 HydrophobicContact CD1-CD2 4.15Å; L213-L217 HydrophobicContact CD1-CG 3.89Å; L213-L217 HydrophobicContact CG-CD1 3.97Å; L213-L217 HydrophobicContact CG-CG 4.27Å; L213-L217 VanDerWaalsContact O-CG 3.31Å; L213-L217 WeakPolarHBondContact O-CG 3.45Å; L213-L217 PolarHBondContact O-N 3.43Å; L217-L221 HydrophobicContact CD2-CD1 4.48Å; L217-M222 HydrophobicContact CB-CE 4.1Å; L217-M222 HydrophobicContact CD1-CE 3.85Å; L217-I230 HydrophobicContact CD1-CD1 3.53Å
218P93.8Very high92.2Very high65 Ų6561.9 Ų61.942%0.42233%0.326SS..  trans-54.8137.6169.8-24.933.7000111.4A220 L221 M222P218-A220 PolarHBondContact O-N 3.45Å; P218-A220 VanDerWaalsContact O-N 3.13Å; P218-L221 HydrophobicContact CG-CD1 4.13Å; P218-L221 PolarHBondContact O-N 3.43Å; P218-M222 PolarHBondContact O-N 2.9Å; P218-M222 VanDerWaalsContact O-N 3.11Å
219P93.6Very high92.5Very high114 Ų11458 Ų5874%0.7431%0.307SS*.Hα-helixtrans-54.7-35.6180-2935.5000114M222 E223P219-M222 WeakPolarHBondContact O-CB 3.43Å; P219-M222 PolarHBondContact O-N 2.77Å; P219-E223 PolarHBondContact O-N 2.85Å
220A94Very high92.8Very high61 Ų6157 Ų5750%0.50430%0.302SS..Hα-helixtrans-61.5-46.517700000112.4P218 M222 E223 E224P218-A220 PolarHBondContact O-N 3.45Å; P218-A220 VanDerWaalsContact O-N 3.13Å; A220-M222 VanDerWaalsContact C-N 3.33Å; A220-M222 PolarHBondContact O-N 2.95Å; A220-E223 PolarHBondContact O-N 3.29Å; A220-E224 WeakPolarHBondContact O-CG 3.5Å; A220-E224 PolarHBondContact O-N 2.9Å
221L94.2Very high92.9Very high27 Ų2758.1 Ų58.114%0.14131%0.31CS..Hα-helixtrans-66.6-36.5177.1-71.4-179.5000111.7E108 L109 L217 P218 E223 E224 Y225E108-L221 HydrophobicContact CG-CD1 4.21Å; E108-L221 HydrophobicContact CG-CD2 3.93Å; L109-L221 HydrophobicContact CD2-CB 4.35Å; L217-L221 HydrophobicContact CD2-CD1 4.48Å; P218-L221 HydrophobicContact CG-CD1 4.13Å; P218-L221 PolarHBondContact O-N 3.43Å; L221-E223 VanDerWaalsContact C-N 3.29Å; L221-E223 PolarHBondContact O-N 3.43Å; L221-E224 PolarHBondContact O-N 2.88Å; L221-Y225 HydrophobicContact CD2-CD2 4.4Å; L221-Y225 HydrophobicContact CD2-CE2 4.21Å; L221-Y225 WeakPolarHBondContact O-CB 3.44Å; L221-Y225 PolarHBondContact O-N 3.18Å
222M94Very high92.9Very high39 Ų3954.9 Ų54.919%0.19230%0.295CS..Hα-helixtrans-62.2-38.6174.6-172.257.971.300111.9L214 L217 P218 P219 A220 G226 E227 I230L214-M222 HydrophobicContact CB-CE 4.15Å; L214-M222 HydrophobicContact CD2-CE 3.56Å; L214-M222 HydrophobicContact CD2-SD 4.32Å; L214-M222 HydrophobicContact CG-CE 4.46Å; L217-M222 HydrophobicContact CB-CE 4.1Å; L217-M222 HydrophobicContact CD1-CE 3.85Å; P218-M222 PolarHBondContact O-N 2.9Å; P218-M222 VanDerWaalsContact O-N 3.11Å; P219-M222 WeakPolarHBondContact O-CB 3.43Å; P219-M222 PolarHBondContact O-N 2.77Å; A220-M222 VanDerWaalsContact C-N 3.33Å; A220-M222 PolarHBondContact O-N 2.95Å; M222-G226 VanDerWaalsContact O-CA 3.25Å; M222-G226 WeakPolarHBondContact O-CA 3.4Å; M222-G226 PolarHBondContact O-N 3.44Å; M222-E227 HydrophobicContact SD-CB 4.07Å; M222-I230 HydrophobicContact CE-CD1 4.12Å; M222-I230 HydrophobicContact SD-CD1 4.02Å
223E93.6Very high92.9Very high118 Ų11851.2 Ų51.255%0.55128%0.278SS*.Hα-helixtrans-69.6-40.7176-172.1176.3-179.900112.4P219 A220 L221 R305 K309P219-E223 PolarHBondContact O-N 2.85Å; A220-E223 PolarHBondContact O-N 3.29Å; L221-E223 VanDerWaalsContact C-N 3.29Å; L221-E223 PolarHBondContact O-N 3.43Å; E223-R305 WeakPolarHBondContact O-CD 3.23Å; E223-K309 IonicContact OE1-NZ 2.75Å
224E94.8Very high92.8Very high96 Ų9652 Ų5245%0.44928%0.281SS..Hα-helixtrans-71-44.9-178.4-74.9-177.4-169.500113.1A220 L221 P304 R305 A306A220-E224 WeakPolarHBondContact O-CG 3.5Å; A220-E224 PolarHBondContact O-N 2.9Å; L221-E224 PolarHBondContact O-N 2.88Å; E224-P304 CarbonylContact O-C 3.59Å; E224-R305 CarbonylContact O-C 3.58Å; E224-R305 WeakPolarHBondContact O-CA 3.45Å; E224-R305 WeakPolarHBondContact O-CB 3.26Å; E224-R305 PolarHBondContact O-N 3.11Å; E224-A306 HydrophobicContact CB-CB 4.43Å; E224-A306 PolarHBondContact O-N 3.3Å
225Y94.3Very high92.7Very high31 Ų3153.9 Ų53.912%0.12229%0.291CS..Hα-helixtrans-87.4-44-177.2-80.3-92.7000112.2D106 E108 L109 L221 Y229 P304 R305D106-Y225 WeakPolarHBondContact OD2-CE1 3.49Å; E108-Y225 PolarHBondContact OE2-OH 3.49Å; L109-Y225 HydrophobicContact CD1-CD1 3.81Å; L109-Y225 HydrophobicContact CD1-CE1 4.12Å; L109-Y225 HydrophobicContact CD1-CG 4.05Å; L109-Y225 HydrophobicContact CD2-CD1 4.39Å; L109-Y225 HydrophobicContact CD2-CD2 3.72Å; L109-Y225 HydrophobicContact CD2-CE2 4.11Å; L109-Y225 HydrophobicContact CD2-CG 3.86Å; L109-Y225 HydrophobicContact CG-CD1 4.33Å; L109-Y225 HydrophobicContact CG-CD2 4.36Å; L109-Y225 HydrophobicContact CG-CE1 4.39Å; L109-Y225 HydrophobicContact CG-CE2 4.44Å; L109-Y225 HydrophobicContact CG-CG 4.29Å; L221-Y225 HydrophobicContact CD2-CD2 4.4Å; L221-Y225 HydrophobicContact CD2-CE2 4.21Å; L221-Y225 WeakPolarHBondContact O-CB 3.44Å; L221-Y225 PolarHBondContact O-N 3.18Å; Y225-Y229 AromaticContact CD1-CD1 3.67Å; Y225-Y229 HydrophobicContact CD1-CD1 3.67Å; Y225-Y229 AromaticContact CD1-CE1 3.49Å; Y225-Y229 HydrophobicContact CD1-CE1 3.49Å; Y225-Y229 VanDerWaalsContact CD1-CE1 3.49Å; Y225-Y229 AromaticContact CE1-CE1 3.92Å; Y225-Y229 HydrophobicContact CE1-CE1 3.92Å; Y225-Y229 HydrophobicContact CG-CD1 4.5Å; Y225-Y229 VanDerWaalsContact O-CB 3.31Å; Y225-Y229 WeakPolarHBondContact O-CB 3.35Å; Y225-P304 HydrophobicContact CD1-CB 4.07Å; Y225-P304 HydrophobicContact CD1-CG 3.99Å; Y225-P304 HydrophobicContact CE1-CB 4.44Å; Y225-P304 HydrophobicContact CE1-CG 4.04Å; Y225-R305 PolarHBondContact O-N 3.41Å
226G94.3Very high92.4Very high0 Ų047.6 Ų47.60%026%0.263CS..  trans83.1139-173.500000113.4M222 D228 Y229 I230 R305M222-G226 VanDerWaalsContact O-CA 3.25Å; M222-G226 WeakPolarHBondContact O-CA 3.4Å; M222-G226 PolarHBondContact O-N 3.44Å; G226-D228 PolarHBondContact O-N 3.34Å; G226-Y229 PolarHBondContact O-N 2.83Å; G226-I230 WeakPolarHBondContact O-CG1 3.47Å; G226-I230 PolarHBondContact O-N 2.87Å; G226-R305 VanDerWaalsContact CA-CZ 3.48Å
227E93.8Very high92Very high104 Ų10445.5 Ų45.549%0.48625%0.245SC..Hα-helixtrans-57.4-34.7178.4-179.1173.6172.700113L214 M222 I230 T231L214-E227 HydrophobicContact CD1-CG 3.89Å; L214-E227 HydrophobicContact CD2-CG 4Å; M222-E227 HydrophobicContact SD-CB 4.07Å; E227-I230 PolarHBondContact O-N 3.02Å; E227-T231 WeakPolarHBondContact O-CB 3.43Å; E227-T231 PolarHBondContact O-N 2.92Å; E227-T231 PolarHBondContact O-OG1 2.7Å
228D93.2Very high91.6Very high55 Ų5546.2 Ų46.229%0.29425%0.248SC..Hα-helixtrans-64.5-40.9177.855.9-30.5000112.5G226 I230 T231 E232 L302 R305 R308G226-D228 PolarHBondContact O-N 3.34Å; D228-I230 VanDerWaalsContact C-N 3.34Å; D228-T231 PolarHBondContact O-N 2.97Å; D228-E232 WeakPolarHBondContact O-CB 3.35Å; D228-E232 PolarHBondContact O-N 2.96Å; D228-L302 HydrophobicContact CB-CD1 4.04Å; D228-R305 IonicContact OD1-NH2 2.67Å; D228-R308 IonicContact OD1-NH2 3.88Å; D228-R308 PolarHBondContact OD1-NH2 3.35Å; D228-R308 IonicContact OD2-CZ 3.77Å; D228-R308 IonicContact OD2-NH1 3.03Å; D228-R308 PolarHBondContact OD2-NH1 2.92Å; D228-R308 IonicContact OD2-NH2 3.96Å; D228-R308 PolarHBondContact OD2-NH2 3.28Å
229Y92.6Very high91.2Very high20 Ų2045.4 Ų45.48%0.07824%0.244CC..Hα-helixtrans-65.4-37.9173.7175.9-92000112.2D106 L109 Y225 G226 T233 K300 L302 P304D106-Y229 WeakPolarHBondContact OD2-CE1 3.35Å; D106-Y229 PolarHBondContact OD2-OH 3.25Å; L109-Y229 HydrophobicContact CD1-CE1 4.38Å; Y225-Y229 AromaticContact CD1-CD1 3.67Å; Y225-Y229 HydrophobicContact CD1-CD1 3.67Å; Y225-Y229 AromaticContact CD1-CE1 3.49Å; Y225-Y229 HydrophobicContact CD1-CE1 3.49Å; Y225-Y229 VanDerWaalsContact CD1-CE1 3.49Å; Y225-Y229 AromaticContact CE1-CE1 3.92Å; Y225-Y229 HydrophobicContact CE1-CE1 3.92Å; Y225-Y229 HydrophobicContact CG-CD1 4.5Å; Y225-Y229 VanDerWaalsContact O-CB 3.31Å; Y225-Y229 WeakPolarHBondContact O-CB 3.35Å; G226-Y229 PolarHBondContact O-N 2.83Å; Y229-T233 PolarHBondContact O-N 3.24Å; Y229-T233 PolarHBondContact O-OG1 3.29Å; Y229-K300 VanDerWaalsContact CD2-NZ 3.28Å; Y229-K300 HydrophobicContact CE2-CD 4.11Å; Y229-K300 PolarHBondContact O-NZ 3.42Å; Y229-L302 HydrophobicContact CD2-CB 4.35Å; Y229-L302 VanDerWaalsContact CD2-O 3.25Å; Y229-L302 WeakPolarHBondContact CD2-O 3.07Å; Y229-L302 WeakPolarHBondContact CE2-O 3.44Å; Y229-P304 HydrophobicContact CD2-CG 4.41Å; Y229-P304 HydrophobicContact CE2-CG 4.02Å
230I92.1Very high90.7Very high2 Ų242.7 Ų42.71%0.0122%0.22CC..Hα-helixtrans-68.7-46.1178.8-61.2169.4000109.6L109 L213 L214 L217 M222 G226 E227 D228 E232 T233 K234L109-I230 HydrophobicContact CD1-CG1 4.03Å; L213-I230 HydrophobicContact CD2-CG2 3.92Å; L214-I230 HydrophobicContact CD2-CB 4.2Å; L214-I230 HydrophobicContact CD2-CD1 3.96Å; L214-I230 HydrophobicContact CD2-CG2 3.9Å; L217-I230 HydrophobicContact CD1-CD1 3.53Å; M222-I230 HydrophobicContact CE-CD1 4.12Å; M222-I230 HydrophobicContact SD-CD1 4.02Å; G226-I230 WeakPolarHBondContact O-CG1 3.47Å; G226-I230 PolarHBondContact O-N 2.87Å; E227-I230 PolarHBondContact O-N 3.02Å; D228-I230 VanDerWaalsContact C-N 3.34Å; I230-E232 PolarHBondContact O-N 2.95Å; I230-T233 WeakPolarHBondContact O-CA 3.23Å; I230-T233 WeakPolarHBondContact O-CB 3.22Å; I230-T233 PolarHBondContact O-N 3.43Å; I230-T233 PolarHBondContact O-OG1 2.9Å; I230-K234 PolarHBondContact O-N 3.47Å
231T92.3Very high90.2Very high36 Ų3640.6 Ų40.622%0.22120%0.203CC..Hα-helixtrans-59.5-45.9177.3-550000111H210 E227 D228 T233 K234 D235H210-T231 PolarHBondContact CE1-OG1 3.47Å; H210-T231 PolarHBondContact NE2-OG1 2.92Å; E227-T231 WeakPolarHBondContact O-CB 3.43Å; E227-T231 PolarHBondContact O-N 2.92Å; E227-T231 PolarHBondContact O-OG1 2.7Å; D228-T231 PolarHBondContact O-N 2.97Å; T231-T233 PolarHBondContact O-N 2.92Å; T231-K234 WeakPolarHBondContact O-CB 3.19Å; T231-K234 PolarHBondContact O-N 3.14Å; T231-D235 PolarHBondContact O-N 3.07Å
232E91.4Very high89.7Confident32 Ų3244.7 Ų44.715%0.1522%0.222CC..Hα-helixtrans-57.9-34.6176.1-174.9-173.6-143.700111.9D228 I230 D235 L236 K300 T301 L302D228-E232 WeakPolarHBondContact O-CB 3.35Å; D228-E232 PolarHBondContact O-N 2.96Å; I230-E232 PolarHBondContact O-N 2.95Å; E232-D235 PolarHBondContact O-N 2.91Å; E232-L236 VanDerWaalsContact O-CB 3.3Å; E232-L236 WeakPolarHBondContact O-CB 3.07Å; E232-L236 PolarHBondContact O-N 2.94Å; E232-K300 WeakPolarHBondContact OE2-CE 3.23Å; E232-T301 WeakPolarHBondContact OE1-CA 3.14Å; E232-T301 WeakPolarHBondContact OE1-CB 3.38Å; E232-T301 PolarHBondContact OE1-N 2.99Å; E232-T301 PolarHBondContact OE1-OG1 2.98Å; E232-T301 PolarHBondContact OE2-N 3.22Å; E232-L302 HydrophobicContact CB-CD1 4.25Å; E232-L302 PolarHBondContact OE1-N 3.19Å; E232-L302 VanDerWaalsContact OE2-CB 3.28Å; E232-L302 WeakPolarHBondContact OE2-CB 3.49Å; E232-L302 PolarHBondContact OE2-N 3.32Å
233T89.2Confident89.2Confident1 Ų150 Ų501%0.00625%0.246CC..Hα-helixtrans-62.9-48.5175.1-43.20000111.1C158 Y229 I230 T231 D235 L236 F237 K300C158-T233 HydrophobicContact CB-CG2 3.91Å; Y229-T233 PolarHBondContact O-N 3.24Å; Y229-T233 PolarHBondContact O-OG1 3.29Å; I230-T233 WeakPolarHBondContact O-CA 3.23Å; I230-T233 WeakPolarHBondContact O-CB 3.22Å; I230-T233 PolarHBondContact O-N 3.43Å; I230-T233 PolarHBondContact O-OG1 2.9Å; T231-T233 PolarHBondContact O-N 2.92Å; T233-D235 VanDerWaalsContact C-N 3.34Å; T233-D235 PolarHBondContact O-N 3.47Å; T233-L236 PolarHBondContact O-N 3.02Å; T233-F237 HydrophobicContact CG2-CD2 4.26Å; T233-F237 HydrophobicContact CG2-CE2 4.29Å; T233-F237 WeakPolarHBondContact O-CD2 3.44Å; T233-F237 PolarHBondContact O-N 3.46Å; T233-K300 PolarHBondContact OG1-NZ 3.25Å
234K88.9Confident88.8Confident20 Ų2044.6 Ų44.69%0.08722%0.221CC..Hα-helixtrans-58-48.5177.6-178.5-151.572.1-175.70110.4E207 H210 I230 T231 L236 F237 Q238E207-K234 IonicContact OE1-NZ 3.92Å; E207-K234 IonicContact OE2-NZ 2.6Å; E207-K234 PolarHBondContact OE2-NZ 2.7Å; H210-K234 HydrophobicContact CB-CD 3.64Å; H210-K234 HydrophobicContact CB-CG 4.26Å; I230-K234 PolarHBondContact O-N 3.47Å; T231-K234 WeakPolarHBondContact O-CB 3.19Å; T231-K234 PolarHBondContact O-N 3.14Å; K234-L236 PolarHBondContact O-N 2.94Å; K234-F237 PolarHBondContact O-N 2.95Å; K234-Q238 WeakPolarHBondContact O-CG 3.32Å; K234-Q238 PolarHBondContact O-N 3.02Å
235D88.6Confident88.5Confident71 Ų7142.1 Ų42.138%0.3821%0.211SC..Hα-helixtrans-64.2-40.3-176.8-63.8-17000111.9T231 E232 T233 F237 Q238 S239T231-D235 PolarHBondContact O-N 3.07Å; E232-D235 PolarHBondContact O-N 2.91Å; T233-D235 VanDerWaalsContact C-N 3.34Å; T233-D235 PolarHBondContact O-N 3.47Å; D235-F237 VanDerWaalsContact C-N 3.32Å; D235-F237 PolarHBondContact O-N 3.42Å; D235-Q238 PolarHBondContact O-N 3.2Å; D235-S239 WeakPolarHBondContact O-CB 3.43Å; D235-S239 PolarHBondContact O-N 3.19Å
236L87.1Confident88.2Confident26 Ų2645.1 Ų45.114%0.13623%0.234CC..Hα-helixtrans-59.1-42.9176178.662.3000111.9E232 T233 K234 S239 F240 F297 K300E232-L236 VanDerWaalsContact O-CB 3.3Å; E232-L236 WeakPolarHBondContact O-CB 3.07Å; E232-L236 PolarHBondContact O-N 2.94Å; T233-L236 PolarHBondContact O-N 3.02Å; K234-L236 PolarHBondContact O-N 2.94Å; L236-S239 WeakPolarHBondContact O-CB 3.29Å; L236-S239 PolarHBondContact O-N 3.03Å; L236-F240 HydrophobicContact CD1-CE1 4.21Å; L236-F240 HydrophobicContact CD1-CE2 4.09Å; L236-F240 HydrophobicContact CD1-CZ 3.75Å; L236-F240 HydrophobicContact CD2-CE2 4.26Å; L236-F240 HydrophobicContact CD2-CZ 4.42Å; L236-F240 HydrophobicContact CG-CD2 4.43Å; L236-F240 HydrophobicContact CG-CE2 3.77Å; L236-F240 HydrophobicContact CG-CZ 3.96Å; L236-F240 WeakPolarHBondContact O-CD2 3.35Å; L236-F240 WeakPolarHBondContact O-CG 3.3Å; L236-F240 PolarHBondContact O-N 2.79Å; L236-F297 WeakPolarHBondContact CD2-O 3.49Å; L236-K300 HydrophobicContact CD2-CG 4.1Å
237F83.6Confident88.2Confident25 Ų2548.8 Ų48.811%0.1125%0.254CS..Hα-helixtrans-74.4-33.5178.5-88.8-91.2000113.3L104 C158 L159 T233 K234 D235 S239 F240 A241L104-F237 HydrophobicContact CB-CD2 4.16Å; L104-F237 HydrophobicContact CB-CG 4.24Å; L104-F237 HydrophobicContact CD1-CB 3.3Å; L104-F237 HydrophobicContact CD1-CD1 4.16Å; L104-F237 HydrophobicContact CD1-CD2 4.41Å; L104-F237 HydrophobicContact CD1-CG 3.72Å; L104-F237 HydrophobicContact CD2-CB 4.26Å; L104-F237 HydrophobicContact CD2-CD1 3.47Å; L104-F237 VanDerWaalsContact CD2-CD1 3.47Å; L104-F237 HydrophobicContact CD2-CD2 4.23Å; L104-F237 HydrophobicContact CD2-CE1 3.76Å; L104-F237 HydrophobicContact CD2-CE2 4.48Å; L104-F237 HydrophobicContact CD2-CG 3.72Å; L104-F237 HydrophobicContact CD2-CZ 4.26Å; L104-F237 HydrophobicContact CG-CB 4.19Å; L104-F237 HydrophobicContact CG-CD1 4.3Å; L104-F237 HydrophobicContact CG-CD2 4.47Å; L104-F237 HydrophobicContact CG-CG 4.07Å; C158-F237 HydrophobicContact CB-CE2 3.53Å; C158-F237 HydrophobicContact CB-CZ 3.85Å; L159-F237 HydrophobicContact CD1-CE1 4.04Å; L159-F237 HydrophobicContact CD2-CD1 4.5Å; L159-F237 HydrophobicContact CD2-CE1 3.68Å; L159-F237 HydrophobicContact CD2-CZ 4.06Å; L159-F237 HydrophobicContact CG-CE1 3.81Å; L159-F237 HydrophobicContact CG-CZ 3.93Å; T233-F237 HydrophobicContact CG2-CD2 4.26Å; T233-F237 HydrophobicContact CG2-CE2 4.29Å; T233-F237 WeakPolarHBondContact O-CD2 3.44Å; T233-F237 PolarHBondContact O-N 3.46Å; K234-F237 PolarHBondContact O-N 2.95Å; D235-F237 VanDerWaalsContact C-N 3.32Å; D235-F237 PolarHBondContact O-N 3.42Å; F237-S239 VanDerWaalsContact C-N 3.3Å; F237-F240 HydrophobicContact CD1-CD2 4.31Å; F237-F240 HydrophobicContact CG-CD2 4.42Å; F237-F240 PolarHBondContact O-N 2.99Å; F237-A241 PolarHBondContact O-N 3.44Å
238Q83.7Confident88.2Confident27 Ų2745.3 Ų45.313%0.12624%0.239CC..Hα-helixtrans-61.1-43.1169.9-74.8179.5-20.300110.5K234 D235 F240 A241 E242K234-Q238 WeakPolarHBondContact O-CG 3.32Å; K234-Q238 PolarHBondContact O-N 3.02Å; D235-Q238 PolarHBondContact O-N 3.2Å; Q238-F240 VanDerWaalsContact C-N 3.33Å; Q238-F240 PolarHBondContact O-N 3.38Å; Q238-A241 WeakPolarHBondContact O-CB 3.43Å; Q238-A241 PolarHBondContact O-N 2.73Å; Q238-E242 WeakPolarHBondContact O-CG 3.13Å; Q238-E242 PolarHBondContact O-N 3.35Å
239S85.8Confident88.2Confident48 Ų4845.4 Ų45.434%0.33624%0.243SC..Hα-helixtrans-58.2-42.3172.5-176.20000112.1D235 L236 F237 A241 E242 H243D235-S239 WeakPolarHBondContact O-CB 3.43Å; D235-S239 PolarHBondContact O-N 3.19Å; L236-S239 WeakPolarHBondContact O-CB 3.29Å; L236-S239 PolarHBondContact O-N 3.03Å; F237-S239 VanDerWaalsContact C-N 3.3Å; S239-A241 VanDerWaalsContact C-N 3.34Å; S239-A241 PolarHBondContact O-N 3.42Å; S239-E242 PolarHBondContact O-N 3.37Å; S239-H243 PolarHBondContact O-N 3.33Å; S239-H243 PolarHBondContact O-ND1 3.35Å
240F84.3Confident88.4Confident57 Ų5746.5 Ų46.525%0.2525%0.253CS..Hα-helixtrans-63.4-37173.7-66.4-35000113.4L236 F237 Q238 H243 A244 L296 F297L236-F240 HydrophobicContact CD1-CE1 4.21Å; L236-F240 HydrophobicContact CD1-CE2 4.09Å; L236-F240 HydrophobicContact CD1-CZ 3.75Å; L236-F240 HydrophobicContact CD2-CE2 4.26Å; L236-F240 HydrophobicContact CD2-CZ 4.42Å; L236-F240 HydrophobicContact CG-CD2 4.43Å; L236-F240 HydrophobicContact CG-CE2 3.77Å; L236-F240 HydrophobicContact CG-CZ 3.96Å; L236-F240 WeakPolarHBondContact O-CD2 3.35Å; L236-F240 WeakPolarHBondContact O-CG 3.3Å; L236-F240 PolarHBondContact O-N 2.79Å; F237-F240 HydrophobicContact CD1-CD2 4.31Å; F237-F240 HydrophobicContact CG-CD2 4.42Å; F237-F240 PolarHBondContact O-N 2.99Å; Q238-F240 VanDerWaalsContact C-N 3.33Å; Q238-F240 PolarHBondContact O-N 3.38Å; F240-H243 PolarHBondContact O-N 3.3Å; F240-A244 PolarHBondContact O-N 3.45Å; F240-A244 VanDerWaalsContact O-N 3.17Å; F240-L296 WeakPolarHBondContact CZ-O 3.44Å; F240-F297 HydrophobicContact CE2-CD1 4.24Å
241A82.3Confident88.6Confident18 Ų1846.4 Ų46.415%0.14925%0.252CS..Hα-helixtrans-68.4-36.6176.900000112.2S200 F237 Q238 S239 H243 A244S200-A241 WeakPolarHBondContact O-CB 3.33Å; F237-A241 PolarHBondContact O-N 3.44Å; Q238-A241 WeakPolarHBondContact O-CB 3.43Å; Q238-A241 PolarHBondContact O-N 2.73Å; S239-A241 VanDerWaalsContact C-N 3.34Å; S239-A241 PolarHBondContact O-N 3.42Å; A241-H243 VanDerWaalsContact C-N 3.31Å; A241-H243 PolarHBondContact O-N 2.76Å; A241-A244 VanDerWaalsContact O-CB 3.25Å; A241-A244 WeakPolarHBondContact O-CB 3.49Å; A241-A244 PolarHBondContact O-N 2.95Å
242E83.3Confident88.7Confident112 Ų11245.1 Ų45.152%0.52324%0.244SC..Hα-helixtrans-64.8-33.8176-73.2178.1172.800113K196 Q238 S239K196-E242 WeakPolarHBondContact CE-O 3.12Å; K196-E242 PolarHBondContact NZ-O 3.12Å; Q238-E242 WeakPolarHBondContact O-CG 3.13Å; Q238-E242 PolarHBondContact O-N 3.35Å; S239-E242 PolarHBondContact O-N 3.37Å
243H84.1Confident89Confident152 Ų15247.8 Ų47.870%0.70426%0.26SS*.THydrogen-bonded Turntrans-92.22.8178.2-64.286.5000113.5S239 F240 A241S239-H243 PolarHBondContact O-N 3.33Å; S239-H243 PolarHBondContact O-ND1 3.35Å; F240-H243 PolarHBondContact O-N 3.3Å; A241-H243 VanDerWaalsContact C-N 3.31Å; A241-H243 PolarHBondContact O-N 2.76Å
244A86Confident89.4Confident4 Ų448.2 Ų48.23%0.03326%0.264CS..SBendtrans-65154.5179.100000111.8S194 K196 F240 A241 P246S194-A244 VanDerWaalsContact OG-CB 3.24Å; S194-A244 WeakPolarHBondContact OG-CB 3.48Å; K196-A244 WeakPolarHBondContact CE-O 3.33Å; K196-A244 HydrophobicContact CG-CB 3.8Å; K196-A244 WeakPolarHBondContact CG-O 3.44Å; F240-A244 PolarHBondContact O-N 3.45Å; F240-A244 VanDerWaalsContact O-N 3.17Å; A241-A244 VanDerWaalsContact O-CB 3.25Å; A241-A244 WeakPolarHBondContact O-CB 3.49Å; A241-A244 PolarHBondContact O-N 2.95Å; A244-P246 WeakPolarHBondContact O-CD 3.41Å
245N86.7Confident89.8Confident43 Ų4347.3 Ų47.323%0.2326%0.26CS..BIsolated β-bridgetrans-69.3122.9-177.5-173.21.9000110.8S194 Y195 K196 D247S194-N245 PolarHBondContact O-N 3.42Å; S194-N245 VanDerWaalsContact O-N 3.08Å; Y195-N245 CarbonylContact C-O 3.56Å; Y195-N245 VanDerWaalsContact CA-O 3.3Å; Y195-N245 WeakPolarHBondContact CA-O 3.33Å; Y195-N245 HydrophobicContact CD1-CB 3.78Å; Y195-N245 HydrophobicContact CE1-CB 3.97Å; K196-N245 PolarHBondContact N-O 3.16Å; N245-D247 VanDerWaalsContact C-N 3.33Å; N245-D247 PolarHBondContact OD1-N 3.35Å
246P89.6Confident90.1Very high94 Ų9444.9 Ų44.961%0.6125%0.247SC*.  trans-73.6-23.9174.629.8-35.4000113.5K196 A244 L248K196-P246 HydrophobicContact CD-CB 4.22Å; A244-P246 WeakPolarHBondContact O-CD 3.41Å; P246-L248 PolarHBondContact O-N 3.15Å
247D92.8Very high90.7Very high77 Ų7747.6 Ų47.641%0.41226%0.259SS..  trans-80.5108.5-178.5178.123.3000110.5Y195 N245 S249 P250Y195-D247 VanDerWaalsContact CD1-O 3.3Å; Y195-D247 WeakPolarHBondContact CD1-O 3.35Å; Y195-D247 WeakPolarHBondContact CE1-O 3.42Å; N245-D247 VanDerWaalsContact C-N 3.33Å; N245-D247 PolarHBondContact OD1-N 3.35Å; D247-S249 VanDerWaalsContact C-N 3.29Å; D247-S249 WeakPolarHBondContact OD1-CB 3.49Å; D247-S249 PolarHBondContact OD1-N 2.67Å; D247-S249 PolarHBondContact OD1-OG 2.99Å; D247-P250 WeakPolarHBondContact O-CD 3.46Å
248L93.9Very high91.3Very high32 Ų3246.4 Ų46.417%0.16825%0.254CS..  trans-82.7-7179.1-52.1-176000112.8F23 A26 Y195 T197 P246 P250 V251 V252F23-L248 HydrophobicContact CD1-CB 4.19Å; F23-L248 HydrophobicContact CD1-CD1 4.43Å; F23-L248 HydrophobicContact CD1-CD2 4.08Å; F23-L248 HydrophobicContact CD1-CG 4.46Å; F23-L248 HydrophobicContact CE1-CB 4.33Å; F23-L248 HydrophobicContact CE1-CD2 3.66Å; F23-L248 HydrophobicContact CE1-CG 4.46Å; A26-L248 HydrophobicContact CB-CD1 4.29Å; Y195-L248 HydrophobicContact CD1-CD2 4.04Å; Y195-L248 HydrophobicContact CG-CD2 4.31Å; T197-L248 HydrophobicContact CG2-CD2 4.49Å; P246-L248 PolarHBondContact O-N 3.15Å; L248-P250 VanDerWaalsContact C-CD 3.43Å; L248-V251 PolarHBondContact O-N 3.48Å; L248-V252 PolarHBondContact O-N 2.68Å; L248-V252 VanDerWaalsContact O-N 3.11Å
249S94.4Very high92Very high56 Ų5645.1 Ų45.139%0.39225%0.248SC..Hα-helixtrans-53.3-43.5-174-50.70000113.3D247 V251 V252 D253D247-S249 VanDerWaalsContact C-N 3.29Å; D247-S249 WeakPolarHBondContact OD1-CB 3.49Å; D247-S249 PolarHBondContact OD1-N 2.67Å; D247-S249 PolarHBondContact OD1-OG 2.99Å; S249-V251 PolarHBondContact O-N 3.22Å; S249-V251 VanDerWaalsContact O-N 3.1Å; S249-V252 PolarHBondContact O-N 3.49Å; S249-V252 VanDerWaalsContact O-N 3.08Å; S249-D253 WeakPolarHBondContact O-CB 3.34Å; S249-D253 PolarHBondContact O-N 2.59Å
250P95.8Very high92.4Very high43 Ų4344.5 Ų44.528%0.27924%0.241SC..Hα-helixtrans-59.6-30.9-179.9-23.933.6000114.2D247 L248 A254D247-P250 WeakPolarHBondContact O-CD 3.46Å; L248-P250 VanDerWaalsContact C-CD 3.43Å; P250-A254 WeakPolarHBondContact O-CB 3.37Å; P250-A254 PolarHBondContact O-N 3.05Å
251V95.7Very high93Very high0 Ų042.8 Ų42.80%024%0.236CC..Hα-helixtrans-80.3-42.3176.6179.50000110.5F23 I190 P192 Y195 L248 S249 A254 I255 A270F23-V251 HydrophobicContact CB-CG1 4.17Å; F23-V251 HydrophobicContact CD1-CB 3.63Å; F23-V251 HydrophobicContact CD1-CG1 3.52Å; F23-V251 HydrophobicContact CD1-CG2 4.04Å; F23-V251 HydrophobicContact CD2-CG1 4.16Å; F23-V251 HydrophobicContact CE1-CB 3.64Å; F23-V251 HydrophobicContact CE1-CG1 3.83Å; F23-V251 HydrophobicContact CE1-CG2 3.49Å; F23-V251 VanDerWaalsContact CE1-CG2 3.49Å; F23-V251 HydrophobicContact CE2-CG1 4.42Å; F23-V251 HydrophobicContact CG-CB 4.33Å; F23-V251 HydrophobicContact CG-CG1 3.7Å; F23-V251 HydrophobicContact CZ-CB 4.34Å; F23-V251 HydrophobicContact CZ-CG1 4.26Å; F23-V251 HydrophobicContact CZ-CG2 3.84Å; I190-V251 HydrophobicContact CG2-CG1 4.22Å; P192-V251 HydrophobicContact CB-CG2 3.93Å; P192-V251 HydrophobicContact CG-CG1 4.36Å; P192-V251 HydrophobicContact CG-CG2 4.24Å; Y195-V251 HydrophobicContact CD2-CG2 4.07Å; Y195-V251 HydrophobicContact CE1-CG2 4.26Å; Y195-V251 HydrophobicContact CE2-CG2 3.48Å; Y195-V251 VanDerWaalsContact CE2-CG2 3.48Å; L248-V251 PolarHBondContact O-N 3.48Å; S249-V251 PolarHBondContact O-N 3.22Å; S249-V251 VanDerWaalsContact O-N 3.1Å; V251-A254 PolarHBondContact O-N 3.31Å; V251-I255 HydrophobicContact CG1-CD1 4.24Å; V251-I255 WeakPolarHBondContact O-CG1 3.41Å; V251-I255 PolarHBondContact O-N 3.01Å; V251-A270 HydrophobicContact CB-CB 4.43Å; V251-A270 HydrophobicContact CG2-CB 3.74Å
252V96.1Very high93.4Very high9 Ų944.6 Ų44.66%0.05525%0.246CC..Hα-helixtrans-62.4-45177.6174.40000110.9A26 H30 L248 S249 A254 I255 V256A26-V252 HydrophobicContact CB-CG2 3.62Å; H30-V252 HydrophobicContact CB-CG1 3.86Å; L248-V252 PolarHBondContact O-N 2.68Å; L248-V252 VanDerWaalsContact O-N 3.11Å; S249-V252 PolarHBondContact O-N 3.49Å; S249-V252 VanDerWaalsContact O-N 3.08Å; V252-A254 VanDerWaalsContact C-N 3.32Å; V252-A254 PolarHBondContact O-N 3.1Å; V252-I255 WeakPolarHBondContact O-CB 3.33Å; V252-I255 PolarHBondContact O-N 3.38Å; V252-I255 VanDerWaalsContact O-N 3.11Å; V252-V256 WeakPolarHBondContact O-CG2 3.47Å; V252-V256 PolarHBondContact O-N 2.94Å
253D96.3Very high93.9Very high89 Ų8947.3 Ų47.348%0.47626%0.259SS..Hα-helixtrans-63-39.3177-65.9-19.3000111.4S249 V256 H257S249-D253 WeakPolarHBondContact O-CB 3.34Å; S249-D253 PolarHBondContact O-N 2.59Å; D253-V256 PolarHBondContact O-N 3.47Å; D253-H257 VanDerWaalsContact O-CB 3.27Å; D253-H257 WeakPolarHBondContact O-CB 3.26Å; D253-H257 PolarHBondContact O-N 3.19Å
254A97.6Very high94.5Very high10 Ų1041.2 Ų41.28%0.08323%0.233CC..Hα-helixtrans-63.8-39.7173.300000112.1I190 P250 V251 V252 A258 Y268 A270I190-A254 HydrophobicContact CD1-CB 3.97Å; I190-A254 HydrophobicContact CG1-CB 4.39Å; I190-A254 HydrophobicContact CG2-CB 4.23Å; P250-A254 WeakPolarHBondContact O-CB 3.37Å; P250-A254 PolarHBondContact O-N 3.05Å; V251-A254 PolarHBondContact O-N 3.31Å; V252-A254 VanDerWaalsContact C-N 3.32Å; V252-A254 PolarHBondContact O-N 3.1Å; A254-A258 WeakPolarHBondContact O-CB 3.49Å; A254-A258 PolarHBondContact O-N 2.96Å; A254-Y268 HydrophobicContact CB-CD1 4.04Å; A254-Y268 HydrophobicContact CB-CG 4.13Å; A254-A270 HydrophobicContact CB-CB 4.41Å
255I97.2Very high95Very high0 Ų046.3 Ų46.30%026%0.256CS..Hα-helixtrans-60.9-51.4173.7-68.2165000109.8A27 V95 V145 I147 I190 V251 V252 H257 A258 L259A27-I255 HydrophobicContact CB-CD1 3.83Å; A27-I255 HydrophobicContact CB-CG2 4.28Å; V95-I255 HydrophobicContact CG1-CD1 4.41Å; V95-I255 HydrophobicContact CG1-CG2 4.2Å; V95-I255 HydrophobicContact CG2-CG2 3.99Å; V145-I255 HydrophobicContact CG1-CG1 4.47Å; I147-I255 HydrophobicContact CD1-CD1 3.88Å; I147-I255 HydrophobicContact CD1-CG1 3.84Å; I190-I255 HydrophobicContact CD1-CB 4.05Å; I190-I255 HydrophobicContact CD1-CG1 3.33Å; V251-I255 HydrophobicContact CG1-CD1 4.24Å; V251-I255 WeakPolarHBondContact O-CG1 3.41Å; V251-I255 PolarHBondContact O-N 3.01Å; V252-I255 WeakPolarHBondContact O-CB 3.33Å; V252-I255 PolarHBondContact O-N 3.38Å; V252-I255 VanDerWaalsContact O-N 3.11Å; I255-H257 PolarHBondContact O-N 2.82Å; I255-A258 PolarHBondContact O-N 3.46Å; I255-L259 HydrophobicContact CG2-CD1 3.78Å; I255-L259 HydrophobicContact CG2-CG 4.45Å; I255-L259 WeakPolarHBondContact O-CB 3.48Å; I255-L259 VanDerWaalsContact O-CG 3.26Å; I255-L259 WeakPolarHBondContact O-CG 3.49Å; I255-L259 PolarHBondContact O-N 3.33Å
256V96.9Very high95.5Very high21 Ų2146.3 Ų46.313%0.12726%0.262CS..Hα-helixtrans-61.6-46.3-179.5174.50000111.1H30 L31 L34 V252 D253 A258 L259 L260H30-V256 VanDerWaalsContact CD2-CG2 3.49Å; H30-V256 WeakPolarHBondContact CD2-CG2 3.33Å; L31-V256 HydrophobicContact CD2-CG2 3.9Å; L34-V256 HydrophobicContact CD1-CG1 4.01Å; L34-V256 HydrophobicContact CD1-CG2 4.42Å; V252-V256 WeakPolarHBondContact O-CG2 3.47Å; V252-V256 PolarHBondContact O-N 2.94Å; D253-V256 PolarHBondContact O-N 3.47Å; V256-A258 VanDerWaalsContact C-N 3.35Å; V256-A258 PolarHBondContact O-N 3.03Å; V256-L259 PolarHBondContact O-N 3.46Å; V256-L260 HydrophobicContact CG1-CD1 3.75Å; V256-L260 HydrophobicContact CG1-CG 4.27Å; V256-L260 WeakPolarHBondContact O-CB 3.46Å; V256-L260 PolarHBondContact O-N 3.41Å
257H97.8Very high95.8Very high83 Ų8343.7 Ų43.738%0.38424%0.24SC..Hα-helixtrans-62.2-42.5178-175.2-80.2000111.3D253 I255 L259 S261 Y268D253-H257 VanDerWaalsContact O-CB 3.27Å; D253-H257 WeakPolarHBondContact O-CB 3.26Å; D253-H257 PolarHBondContact O-N 3.19Å; I255-H257 PolarHBondContact O-N 2.82Å; H257-L259 VanDerWaalsContact C-N 3.26Å; H257-L259 PolarHBondContact O-N 2.9Å; H257-S261 VanDerWaalsContact CE1-CB 3.42Å; H257-S261 WeakPolarHBondContact CE1-CB 3.37Å; H257-S261 PolarHBondContact CE1-OG 3.33Å; H257-S261 PolarHBondContact NE2-OG 3.45Å; H257-S261 WeakPolarHBondContact O-CA 3.27Å; H257-S261 WeakPolarHBondContact O-CB 3.37Å; H257-S261 PolarHBondContact O-N 3.11Å; H257-Y268 HydrophobicContact CB-CE1 4.27Å; H257-Y268 AromaticContact ND1-CE1 3.33Å; H257-Y268 VanDerWaalsContact ND1-CE1 3.33Å; H257-Y268 WeakPolarHBondContact ND1-CE1 3.23Å; H257-Y268 AromaticContact ND1-CZ 3.47Å; H257-Y268 PolarHBondContact ND1-OH 2.85Å
258A97.9Very high96Very high0 Ų040.8 Ų40.80%022%0.223CC..Hα-helixtrans-62.1-33.5176.400000113.2V145 A254 I255 V256 Y268V145-A258 HydrophobicContact CG1-CB 4.39Å; V145-A258 HydrophobicContact CG2-CB 3.67Å; A254-A258 WeakPolarHBondContact O-CB 3.49Å; A254-A258 PolarHBondContact O-N 2.96Å; I255-A258 PolarHBondContact O-N 3.46Å; V256-A258 VanDerWaalsContact C-N 3.35Å; V256-A258 PolarHBondContact O-N 3.03Å; A258-Y268 WeakPolarHBondContact CA-OH 3.28Å; A258-Y268 HydrophobicContact CB-CD2 4.33Å; A258-Y268 HydrophobicContact CB-CE2 3.61Å
259L96.8Very high96.1Very high0 Ų044.1 Ų44.10%023%0.234CC..Hα-helixtrans-80.9-40.1179.3-70.4172.4000113.3L13 L31 W92 V95 R143 V145 I255 V256 H257L13-L259 HydrophobicContact CD1-CD1 4.05Å; L13-L259 HydrophobicContact CD2-CD1 4.03Å; L13-L259 HydrophobicContact CD2-CD2 3.93Å; L13-L259 HydrophobicContact CD2-CG 4.45Å; L31-L259 HydrophobicContact CD1-CD1 4.04Å; L31-L259 HydrophobicContact CD2-CD1 3.99Å; W92-L259 WeakPolarHBondContact CZ2-O 3.37Å; W92-L259 PolarHBondContact NE1-O 3.2Å; V95-L259 HydrophobicContact CG2-CD1 3.84Å; V95-L259 HydrophobicContact CG2-CD2 4.24Å; V95-L259 HydrophobicContact CG2-CG 4.44Å; R143-L259 HydrophobicContact CB-CD2 3.91Å; V145-L259 HydrophobicContact CG2-CD2 3.78Å; V145-L259 HydrophobicContact CG2-CG 4.01Å; I255-L259 HydrophobicContact CG2-CD1 3.78Å; I255-L259 HydrophobicContact CG2-CG 4.45Å; I255-L259 WeakPolarHBondContact O-CB 3.48Å; I255-L259 VanDerWaalsContact O-CG 3.26Å; I255-L259 WeakPolarHBondContact O-CG 3.49Å; I255-L259 PolarHBondContact O-N 3.33Å; V256-L259 PolarHBondContact O-N 3.46Å; H257-L259 VanDerWaalsContact C-N 3.26Å; H257-L259 PolarHBondContact O-N 2.9Å
260L95.9Very high96.1Very high35 Ų3541.7 Ų41.718%0.18322%0.218CC..Hα-helixtrans-109.1-18.6-166.7-56.3-174.1000113.8I6 L34 L36 V256I6-L260 WeakPolarHBondContact CD1-O 3.06Å; I6-L260 HydrophobicContact CG2-CD2 4.18Å; L34-L260 HydrophobicContact CD1-CD1 4.24Å; L36-L260 HydrophobicContact CD1-CD1 4.36Å; L36-L260 HydrophobicContact CD1-CD2 4.19Å; V256-L260 HydrophobicContact CG1-CD1 3.75Å; V256-L260 HydrophobicContact CG1-CG 4.27Å; V256-L260 WeakPolarHBondContact O-CB 3.46Å; V256-L260 PolarHBondContact O-N 3.41Å
261S96Very high95.7Very high20 Ų2040.7 Ų40.714%0.1422%0.216CC..  trans-65.2138.6-179.8-176.40000111.4H257 Q263 P264H257-S261 VanDerWaalsContact CE1-CB 3.42Å; H257-S261 WeakPolarHBondContact CE1-CB 3.37Å; H257-S261 PolarHBondContact CE1-OG 3.33Å; H257-S261 PolarHBondContact NE2-OG 3.45Å; H257-S261 WeakPolarHBondContact O-CA 3.27Å; H257-S261 WeakPolarHBondContact O-CB 3.37Å; H257-S261 PolarHBondContact O-N 3.11Å; S261-Q263 PolarHBondContact O-N 3.2Å; S261-Q263 PolarHBondContact OG-N 2.75Å; S261-Q263 PolarHBondContact OG-O 3.5Å; S261-P264 WeakPolarHBondContact O-CD 3.13Å
262P91.6Very high95.3Very high57 Ų5745 Ų4537%0.3724%0.244SC..SBendtrans-58-32.5169-24.234.2000112.2M1 K186M1-P262 VanDerWaalsContact O-CG 3.27Å; M1-P262 WeakPolarHBondContact O-CG 3.43Å; K186-P262 PolarHBondContact NZ-O 3.23Å
263Q92.6Very high94.8Very high169 Ų16947.2 Ų47.279%0.7927%0.268SS*.SBendtrans-128.676.1-178.9-68.3-174.8-16.100110.1S261S261-Q263 PolarHBondContact O-N 3.2Å; S261-Q263 PolarHBondContact OG-N 2.75Å; S261-Q263 PolarHBondContact OG-O 3.5Å
264P96.4Very high94.4Very high24 Ų2443.3 Ų43.316%0.15625%0.247CC..  trans-69.2144.4177.231.4-33.6000110K186 S261 Y268K186-P264 HydrophobicContact CB-CG 4.22Å; K186-P264 HydrophobicContact CD-CG 3.53Å; S261-P264 WeakPolarHBondContact O-CD 3.13Å; P264-Y268 VanDerWaalsContact CA-OH 3.27Å; P264-Y268 WeakPolarHBondContact CA-OH 3.34Å; P264-Y268 WeakPolarHBondContact CB-OH 3.49Å
265Q97.1Very high94.1Very high110 Ų11045 Ų4551%0.51427%0.265SS..  trans-71.8150.6173.1-59.1-178.6-4.400110.8S188 R267 Y268S188-Q265 PolarHBondContact OG-O 2.92Å; S188-Q265 VanDerWaalsContact OG-O 3.08Å; Q265-R267 VanDerWaalsContact C-N 3.3Å; Q265-R267 PolarHBondContact O-N 3.38Å; Q265-R267 PolarHBondContact OE1-O 3.48Å; Q265-Y268 HydrophobicContact CB-CD2 4.36Å; Q265-Y268 HydrophobicContact CB-CE1 4.09Å; Q265-Y268 HydrophobicContact CB-CE2 3.88Å; Q265-Y268 HydrophobicContact CG-CE1 4.22Å; Q265-Y268 PolarHBondContact N-OH 3.31Å; Q265-Y268 WeakPolarHBondContact O-CE2 3.22Å
266A96.8Very high93.7Very high44 Ų4450 Ų5036%0.36429%0.292SS..SBendtrans-66.3-34.9174.500000112.3R177 S188 T189R177-A266 PolarHBondContact NH2-O 3.43Å; S188-A266 WeakPolarHBondContact CA-O 3.36Å; T189-A266 PolarHBondContact N-O 2.97Å
267R96.8Very high93.4Very high38 Ų3849.9 Ų49.914%0.14329%0.29CS..EExtended strand (participates in β ladder)trans-137.4132.2-177-58.7-179.473.1101.22.2109.4D153 E174 T189 L191 Q265 Y269D153-R267 IonicContact OD1-CZ 3.3Å; D153-R267 IonicContact OD1-NH1 3.41Å; D153-R267 IonicContact OD1-NH2 3.24Å; D153-R267 PolarHBondContact OD1-NH2 3.43Å; D153-R267 IonicContact OD2-CZ 2.78Å; D153-R267 IonicContact OD2-NH2 2.95Å; D153-R267 PolarHBondContact OD2-NH2 2.52Å; E174-R267 IonicContact OE1-CZ 2.62Å; E174-R267 IonicContact OE1-NH1 3.81Å; E174-R267 PolarHBondContact OE1-NH1 2.94Å; T189-R267 CarbonylContact O-C 3.58Å; T189-R267 WeakPolarHBondContact O-CA 3.29Å; L191-R267 HydrophobicContact CD1-CB 4.43Å; L191-R267 VanDerWaalsContact CD1-NH2 3.33Å; Q265-R267 VanDerWaalsContact C-N 3.3Å; Q265-R267 PolarHBondContact O-N 3.38Å; Q265-R267 PolarHBondContact OE1-O 3.48Å; R267-Y269 HydrophobicContact CB-CE2 4.36Å
268Y97.3Very high93.2Very high16 Ų1646.7 Ų46.76%0.06328%0.275CS..EExtended strand (participates in β ladder)trans-114.7127.7173.3-65.4-98.6000109.3T189 I190 L191 A254 H257 A258 P264 Q265T189-Y268 PolarHBondContact O-N 2.93Å; I190-Y268 HydrophobicContact CG1-CD2 4.25Å; I190-Y268 HydrophobicContact CG1-CG 4.47Å; L191-Y268 PolarHBondContact N-O 2.68Å; A254-Y268 HydrophobicContact CB-CD1 4.04Å; A254-Y268 HydrophobicContact CB-CG 4.13Å; H257-Y268 HydrophobicContact CB-CE1 4.27Å; H257-Y268 AromaticContact ND1-CE1 3.33Å; H257-Y268 VanDerWaalsContact ND1-CE1 3.33Å; H257-Y268 WeakPolarHBondContact ND1-CE1 3.23Å; H257-Y268 AromaticContact ND1-CZ 3.47Å; H257-Y268 PolarHBondContact ND1-OH 2.85Å; A258-Y268 WeakPolarHBondContact CA-OH 3.28Å; A258-Y268 HydrophobicContact CB-CD2 4.33Å; A258-Y268 HydrophobicContact CB-CE2 3.61Å; P264-Y268 VanDerWaalsContact CA-OH 3.27Å; P264-Y268 WeakPolarHBondContact CA-OH 3.34Å; P264-Y268 WeakPolarHBondContact CB-OH 3.49Å; Q265-Y268 HydrophobicContact CB-CD2 4.36Å; Q265-Y268 HydrophobicContact CB-CE1 4.09Å; Q265-Y268 HydrophobicContact CB-CE2 3.88Å; Q265-Y268 HydrophobicContact CG-CE1 4.22Å; Q265-Y268 PolarHBondContact N-OH 3.31Å; Q265-Y268 WeakPolarHBondContact O-CE2 3.22Å
269Y95.7Very high92.9Very high102 Ų10252.2 Ų52.240%0.430%0.299SS..EExtended strand (participates in β ladder)trans-102.797.5177.4-53.5-81.9000108.6L191 R267 I274 Y278L191-Y269 HydrophobicContact CB-CD1 4.34Å; L191-Y269 HydrophobicContact CD1-CD1 3.61Å; L191-Y269 HydrophobicContact CD1-CE1 3.4Å; R267-Y269 HydrophobicContact CB-CE2 4.36Å; Y269-I274 HydrophobicContact CD1-CG1 4.48Å; Y269-Y278 HydrophobicContact CD1-CD1 4.43Å; Y269-Y278 AromaticContact CD1-CD2 3.48Å; Y269-Y278 HydrophobicContact CD1-CD2 3.48Å; Y269-Y278 VanDerWaalsContact CD1-CD2 3.48Å; Y269-Y278 HydrophobicContact CD1-CE1 4.44Å; Y269-Y278 AromaticContact CD1-CE2 3.49Å; Y269-Y278 HydrophobicContact CD1-CE2 3.49Å; Y269-Y278 VanDerWaalsContact CD1-CE2 3.49Å; Y269-Y278 AromaticContact CD1-CG 3.97Å; Y269-Y278 HydrophobicContact CD1-CG 3.97Å; Y269-Y278 AromaticContact CD1-CZ 3.98Å; Y269-Y278 AromaticContact CE1-CD1 3.68Å; Y269-Y278 HydrophobicContact CE1-CD1 3.68Å; Y269-Y278 AromaticContact CE1-CD2 3.58Å; Y269-Y278 HydrophobicContact CE1-CD2 3.58Å; Y269-Y278 AromaticContact CE1-CE1 3.69Å; Y269-Y278 HydrophobicContact CE1-CE1 3.69Å; Y269-Y278 AromaticContact CE1-CE2 3.59Å; Y269-Y278 HydrophobicContact CE1-CE2 3.59Å; Y269-Y278 AromaticContact CE1-CG 3.62Å; Y269-Y278 HydrophobicContact CE1-CG 3.62Å; Y269-Y278 AromaticContact CE1-CZ 3.63Å
270A93.3Very high92.6Very high5 Ų553.3 Ų53.34%0.04130%0.304CS..EExtended strand (participates in β ladder)trans-100.7103-166.600000111I190 L191 P192 S193 Y195 V251 A254I190-A270 HydrophobicContact CG2-CB 4.09Å; L191-A270 PolarHBondContact O-N 3.29Å; P192-A270 WeakPolarHBondContact CA-O 3.21Å; S193-A270 PolarHBondContact N-O 3.16Å; Y195-A270 VanDerWaalsContact CE2-O 3.3Å; Y195-A270 WeakPolarHBondContact CE2-O 3.45Å; Y195-A270 PolarHBondContact OH-O 3.16Å; V251-A270 HydrophobicContact CB-CB 4.43Å; V251-A270 HydrophobicContact CG2-CB 3.74Å; A254-A270 HydrophobicContact CB-CB 4.41Å
271G89.1Confident92.3Very high23 Ų2355 Ų5524%0.23731%0.311CS..SBendtrans132.9174.8168.800000115S193 Y195 I274S193-G271 WeakPolarHBondContact OG-CA 3.49Å; Y195-G271 WeakPolarHBondContact OH-CA 3.43Å; Y195-G271 PolarHBondContact OH-N 2.68Å; G271-I274 WeakPolarHBondContact O-CG2 3.47Å
272P85.3Confident92.1Very high91 Ų9157.8 Ų57.859%0.59133%0.331SS*.SBendtrans-67.3145.4-178.927.4-33.9000111.9I274P272-I274 PolarHBondContact O-N 3.26Å
273G85.9Confident92.2Very high55 Ų5563.5 Ų63.557%0.56735%0.346SS*.SBendtrans74.7-19.317200000116.3G275 L276 M277G273-G275 PolarHBondContact O-N 2.78Å; G273-L276 PolarHBondContact O-N 2.86Å; G273-M277 PolarHBondContact O-N 3.18Å
274I89.3Confident92.2Very high6 Ų657.3 Ų57.33%0.03132%0.321CS..Hα-helixtrans-61.8-40.5-177-163.9156.8000112.5P150 L191 Y269 G271 P272 L276 M277 Y278P150-I274 HydrophobicContact CG-CD1 3.47Å; P150-I274 VanDerWaalsContact CG-CD1 3.47Å; P150-I274 HydrophobicContact CG-CG1 4.13Å; L191-I274 HydrophobicContact CB-CD1 4.28Å; L191-I274 WeakPolarHBondContact O-CD1 3.41Å; Y269-I274 HydrophobicContact CD1-CG1 4.48Å; G271-I274 WeakPolarHBondContact O-CG2 3.47Å; P272-I274 PolarHBondContact O-N 3.26Å; I274-L276 PolarHBondContact O-N 3.04Å; I274-M277 HydrophobicContact CG1-CE 4.15Å; I274-M277 WeakPolarHBondContact O-CB 3.36Å; I274-M277 PolarHBondContact O-N 3.37Å; I274-Y278 HydrophobicContact CD1-CE2 4.25Å; I274-Y278 HydrophobicContact CG1-CD2 3.79Å; I274-Y278 HydrophobicContact CG1-CE2 3.72Å; I274-Y278 WeakPolarHBondContact O-CD2 3.4Å; I274-Y278 PolarHBondContact O-N 3.26Å
275G90.1Very high92.1Very high46 Ų4660.1 Ų60.147%0.47434%0.339SS..Hα-helixtrans-62.1-42.4179.200000112.4G273 Y278 F279G273-G275 PolarHBondContact O-N 2.78Å; G275-Y278 PolarHBondContact O-N 2.99Å; G275-F279 WeakPolarHBondContact O-CB 3.47Å; G275-F279 PolarHBondContact O-N 3.03Å
276L90.3Very high91.8Very high105 Ų10560.9 Ų60.955%0.5535%0.347SS..Hα-helixtrans-64.9-42.2175.2177.561.9000111.3G273 I274 Y278 F279 I280G273-L276 PolarHBondContact O-N 2.86Å; I274-L276 PolarHBondContact O-N 3.04Å; L276-Y278 PolarHBondContact O-N 3.1Å; L276-F279 WeakPolarHBondContact O-CB 3.34Å; L276-F279 PolarHBondContact O-N 3.41Å; L276-I280 HydrophobicContact CD1-CD1 4.1Å; L276-I280 HydrophobicContact CD1-CG1 4.26Å; L276-I280 HydrophobicContact CG-CD1 4.04Å; L276-I280 WeakPolarHBondContact O-CG1 3.36Å; L276-I280 PolarHBondContact O-N 3.36Å
277M90.4Very high91.5Very high18 Ų1863 Ų639%0.08936%0.359CS..Hα-helixtrans-61.8-43.3177.9-178.9-179.576.600111.9P150 F156 G273 I274 I280 H281 F292P150-M277 HydrophobicContact CB-CE 3.36Å; P150-M277 HydrophobicContact CG-CE 3.84Å; F156-M277 HydrophobicContact CE2-CE 4.32Å; F156-M277 HydrophobicContact CE2-SD 4.09Å; F156-M277 HydrophobicContact CZ-CE 3.87Å; F156-M277 HydrophobicContact CZ-SD 3.62Å; G273-M277 PolarHBondContact O-N 3.18Å; I274-M277 HydrophobicContact CG1-CE 4.15Å; I274-M277 WeakPolarHBondContact O-CB 3.36Å; I274-M277 PolarHBondContact O-N 3.37Å; M277-I280 PolarHBondContact O-N 3.47Å; M277-H281 WeakPolarHBondContact O-CB 3.3Å; M277-H281 PolarHBondContact O-N 3.23Å; M277-F292 HydrophobicContact CB-CE1 4.28Å; M277-F292 HydrophobicContact CG-CE1 4.12Å
278Y91.7Very high91.2Very high16 Ų1665.5 Ų65.56%0.06337%0.374CS..Hα-helixtrans-68.4-36.4174-86-85.6000112.4P150 D153 Y269 I274 G275 L276 H281 S282P150-Y278 WeakPolarHBondContact CA-OH 3.34Å; P150-Y278 HydrophobicContact CB-CE2 4.07Å; P150-Y278 HydrophobicContact CG-CE2 4.14Å; D153-Y278 HydrophobicContact CB-CE1 4.19Å; D153-Y278 VanDerWaalsContact OD2-CE1 3.31Å; D153-Y278 WeakPolarHBondContact OD2-CE1 3.5Å; D153-Y278 VanDerWaalsContact OD2-CZ 3.31Å; D153-Y278 PolarHBondContact OD2-OH 3.5Å; Y269-Y278 HydrophobicContact CD1-CD1 4.43Å; Y269-Y278 AromaticContact CD1-CD2 3.48Å; Y269-Y278 HydrophobicContact CD1-CD2 3.48Å; Y269-Y278 VanDerWaalsContact CD1-CD2 3.48Å; Y269-Y278 HydrophobicContact CD1-CE1 4.44Å; Y269-Y278 AromaticContact CD1-CE2 3.49Å; Y269-Y278 HydrophobicContact CD1-CE2 3.49Å; Y269-Y278 VanDerWaalsContact CD1-CE2 3.49Å; Y269-Y278 AromaticContact CD1-CG 3.97Å; Y269-Y278 HydrophobicContact CD1-CG 3.97Å; Y269-Y278 AromaticContact CD1-CZ 3.98Å; Y269-Y278 AromaticContact CE1-CD1 3.68Å; Y269-Y278 HydrophobicContact CE1-CD1 3.68Å; Y269-Y278 AromaticContact CE1-CD2 3.58Å; Y269-Y278 HydrophobicContact CE1-CD2 3.58Å; Y269-Y278 AromaticContact CE1-CE1 3.69Å; Y269-Y278 HydrophobicContact CE1-CE1 3.69Å; Y269-Y278 AromaticContact CE1-CE2 3.59Å; Y269-Y278 HydrophobicContact CE1-CE2 3.59Å; Y269-Y278 AromaticContact CE1-CG 3.62Å; Y269-Y278 HydrophobicContact CE1-CG 3.62Å; Y269-Y278 AromaticContact CE1-CZ 3.63Å; I274-Y278 HydrophobicContact CD1-CE2 4.25Å; I274-Y278 HydrophobicContact CG1-CD2 3.79Å; I274-Y278 HydrophobicContact CG1-CE2 3.72Å; I274-Y278 WeakPolarHBondContact O-CD2 3.4Å; I274-Y278 PolarHBondContact O-N 3.26Å; G275-Y278 PolarHBondContact O-N 2.99Å; L276-Y278 PolarHBondContact O-N 3.1Å; Y278-H281 PolarHBondContact O-N 3.29Å; Y278-S282 VanDerWaalsContact O-CB 3.25Å; Y278-S282 WeakPolarHBondContact O-CB 3.48Å; Y278-S282 PolarHBondContact O-N 3.41Å; Y278-S282 PolarHBondContact O-OG 2.91Å; Y278-S282 VanDerWaalsContact O-OG 3.14Å
279F92.4Very high90.7Very high117 Ų11765 Ų6551%0.51337%0.372SS..Hα-helixtrans-59.4-49.2174178.8-92.5000111.4G275 L276 H281 S282 Y283G275-F279 WeakPolarHBondContact O-CB 3.47Å; G275-F279 PolarHBondContact O-N 3.03Å; L276-F279 WeakPolarHBondContact O-CB 3.34Å; L276-F279 PolarHBondContact O-N 3.41Å; F279-H281 PolarHBondContact O-N 3.49Å; F279-S282 PolarHBondContact O-N 3.34Å; F279-Y283 AromaticContact CD2-CD2 3.48Å; F279-Y283 HydrophobicContact CD2-CD2 3.48Å; F279-Y283 VanDerWaalsContact CD2-CD2 3.48Å; F279-Y283 AromaticContact CD2-CE2 3.84Å; F279-Y283 HydrophobicContact CD2-CE2 3.84Å; F279-Y283 HydrophobicContact CD2-CG 4.44Å; F279-Y283 AromaticContact CE2-CD2 3.68Å; F279-Y283 HydrophobicContact CE2-CD2 3.68Å; F279-Y283 HydrophobicContact CE2-CE2 4.14Å; F279-Y283 HydrophobicContact CE2-CG 4.27Å; F279-Y283 HydrophobicContact CG-CD2 4.08Å; F279-Y283 HydrophobicContact CZ-CD2 4.42Å; F279-Y283 WeakPolarHBondContact O-CB 3.37Å; F279-Y283 VanDerWaalsContact O-CD2 3.31Å; F279-Y283 WeakPolarHBondContact O-CD2 3.38Å; F279-Y283 PolarHBondContact O-N 3.36Å
280I91.1Very high90.3Very high22 Ų2262.9 Ų62.911%0.11337%0.368CS..Hα-helixtrans-60.6-49.2177.3-66.5168.3000110L276 M277 S282 C284 S289 F292L276-I280 HydrophobicContact CD1-CD1 4.1Å; L276-I280 HydrophobicContact CD1-CG1 4.26Å; L276-I280 HydrophobicContact CG-CD1 4.04Å; L276-I280 WeakPolarHBondContact O-CG1 3.36Å; L276-I280 PolarHBondContact O-N 3.36Å; M277-I280 PolarHBondContact O-N 3.47Å; I280-S282 VanDerWaalsContact C-N 3.33Å; I280-S282 PolarHBondContact O-N 2.75Å; I280-C284 HydrophobicContact CG2-CB 4.12Å; I280-C284 WeakPolarHBondContact O-CA 3.47Å; I280-C284 WeakPolarHBondContact O-CB 3.33Å; I280-C284 PolarHBondContact O-N 3.49Å; I280-S289 PolarHBondContact O-OG 3.48Å; I280-S289 VanDerWaalsContact O-OG 3.06Å; I280-F292 HydrophobicContact CD1-CD1 4.07Å; I280-F292 HydrophobicContact CD1-CD2 3.65Å; I280-F292 HydrophobicContact CD1-CE1 4.01Å; I280-F292 HydrophobicContact CD1-CE2 3.59Å; I280-F292 HydrophobicContact CD1-CG 3.9Å; I280-F292 HydrophobicContact CD1-CZ 3.78Å; I280-F292 HydrophobicContact CG2-CB 4.23Å; I280-F292 HydrophobicContact CG2-CD1 4.31Å; I280-F292 HydrophobicContact CG2-CG 4.25Å
281H89.6Confident90Very high70 Ų7071.3 Ų71.332%0.32440%0.399SS..Hα-helixtrans-59.9-40.6-179.5179.1-100.2000113.3Q154 M277 Y278 F279Q154-H281 HydrophobicContact CG-CB 4.41Å; M277-H281 WeakPolarHBondContact O-CB 3.3Å; M277-H281 PolarHBondContact O-N 3.23Å; Y278-H281 PolarHBondContact O-N 3.29Å; F279-H281 PolarHBondContact O-N 3.49Å
282S90.8Very high89.9Confident80 Ų8073 Ų7356%0.55940%0.4SS*.Hα-helixtrans-82.5-29.2-175.7-67.90000114.2Y278 F279 I280Y278-S282 VanDerWaalsContact O-CB 3.25Å; Y278-S282 WeakPolarHBondContact O-CB 3.48Å; Y278-S282 PolarHBondContact O-N 3.41Å; Y278-S282 PolarHBondContact O-OG 2.91Å; Y278-S282 VanDerWaalsContact O-OG 3.14Å; F279-S282 PolarHBondContact O-N 3.34Å; I280-S282 VanDerWaalsContact C-N 3.33Å; I280-S282 PolarHBondContact O-N 2.75Å
283Y93.7Very high89.8Confident176 Ų17669 Ų6969%0.6937%0.374SS*.Hα-helixtrans-117.9-19.2-171.1-62.6-75.6000114.6F279F279-Y283 AromaticContact CD2-CD2 3.48Å; F279-Y283 HydrophobicContact CD2-CD2 3.48Å; F279-Y283 VanDerWaalsContact CD2-CD2 3.48Å; F279-Y283 AromaticContact CD2-CE2 3.84Å; F279-Y283 HydrophobicContact CD2-CE2 3.84Å; F279-Y283 HydrophobicContact CD2-CG 4.44Å; F279-Y283 AromaticContact CE2-CD2 3.68Å; F279-Y283 HydrophobicContact CE2-CD2 3.68Å; F279-Y283 HydrophobicContact CE2-CE2 4.14Å; F279-Y283 HydrophobicContact CE2-CG 4.27Å; F279-Y283 HydrophobicContact CG-CD2 4.08Å; F279-Y283 HydrophobicContact CZ-CD2 4.42Å; F279-Y283 WeakPolarHBondContact O-CB 3.37Å; F279-Y283 VanDerWaalsContact O-CD2 3.31Å; F279-Y283 WeakPolarHBondContact O-CD2 3.38Å; F279-Y283 PolarHBondContact O-N 3.36Å
284C93.8Very high89.7Confident39 Ų3971.9 Ų71.926%0.26437%0.372SS..SBendtrans-90.5149.2177.5-61.60000112I280 I288 S289I280-C284 HydrophobicContact CG2-CB 4.12Å; I280-C284 WeakPolarHBondContact O-CA 3.47Å; I280-C284 WeakPolarHBondContact O-CB 3.33Å; I280-C284 PolarHBondContact O-N 3.49Å; C284-I288 HydrophobicContact CB-CB 4.08Å; C284-I288 HydrophobicContact CB-CG2 3.85Å; C284-S289 PolarHBondContact O-OG 3.49Å
285P94.3Very high89.4Confident83 Ų8379.4 Ų79.454%0.53941%0.405SS..  trans-50.2145.5168.6-27.532000112.8S287 I288 S289P285-S287 PolarHBondContact O-N 3.27Å; P285-I288 HydrophobicContact CG-CD1 4.16Å; P285-I288 WeakPolarHBondContact O-CA 3.25Å; P285-I288 WeakPolarHBondContact O-CB 3.49Å; P285-I288 PolarHBondContact O-N 2.82Å; P285-S289 PolarHBondContact O-N 2.83Å; P285-S289 VanDerWaalsContact O-N 3.11Å
286L89.6Confident88.9Confident127 Ų12780.6 Ų80.667%0.66540%0.4SS*.Hα-helixtrans-50.4-39.1-178.5-178.362.2000113.1I288 S289 N290L286-I288 VanDerWaalsContact C-N 3.3Å; L286-I288 PolarHBondContact O-N 3.01Å; L286-S289 PolarHBondContact O-N 2.83Å; L286-N290 VanDerWaalsContact O-CB 3.26Å; L286-N290 WeakPolarHBondContact O-CB 3.31Å; L286-N290 PolarHBondContact O-N 3.39Å
287S90.8Very high88.1Confident88 Ų8877 Ų7762%0.61538%0.38SS*.Hα-helixtrans-62.2-35177.8-48.90000113.3P285 R291P285-S287 PolarHBondContact O-N 3.27Å; S287-R291 WeakPolarHBondContact O-CB 3.23Å; S287-R291 WeakPolarHBondContact O-CG 3.34Å; S287-R291 PolarHBondContact O-N 3.36Å; S287-R291 VanDerWaalsContact O-N 3.16Å
288I90.4Very high87.1Confident90 Ų9078.9 Ų78.946%0.46239%0.392SS..Hα-helixtrans-75.6-47177.9-69.3169.9000109.6C284 P285 L286 N290 R291 F292C284-I288 HydrophobicContact CB-CB 4.08Å; C284-I288 HydrophobicContact CB-CG2 3.85Å; P285-I288 HydrophobicContact CG-CD1 4.16Å; P285-I288 WeakPolarHBondContact O-CA 3.25Å; P285-I288 WeakPolarHBondContact O-CB 3.49Å; P285-I288 PolarHBondContact O-N 2.82Å; L286-I288 VanDerWaalsContact C-N 3.3Å; L286-I288 PolarHBondContact O-N 3.01Å; I288-N290 VanDerWaalsContact C-N 3.33Å; I288-N290 PolarHBondContact O-N 3.39Å; I288-R291 PolarHBondContact O-N 2.96Å; I288-F292 WeakPolarHBondContact O-CB 3.37Å; I288-F292 PolarHBondContact O-N 3.42Å
289S88.1Confident86.4Confident5 Ų585.2 Ų85.24%0.03542%0.42CS..Hα-helixtrans-59.6-43.3177.5-570000111.7I280 C284 P285 L286 F292 L293I280-S289 PolarHBondContact O-OG 3.48Å; I280-S289 VanDerWaalsContact O-OG 3.06Å; C284-S289 PolarHBondContact O-OG 3.49Å; P285-S289 PolarHBondContact O-N 2.83Å; P285-S289 VanDerWaalsContact O-N 3.11Å; L286-S289 PolarHBondContact O-N 2.83Å; S289-F292 WeakPolarHBondContact O-CB 3.47Å; S289-F292 PolarHBondContact O-N 3.46Å; S289-L293 WeakPolarHBondContact O-CG 3.47Å; S289-L293 PolarHBondContact O-N 3.41Å
290N87.1Confident85.6Confident59 Ų5981.4 Ų81.432%0.31640%0.403SS..Hα-helixtrans-64.1-44.1175.8-74.8-6.9000112.1L286 I288 F292 L293 Q294L286-N290 VanDerWaalsContact O-CB 3.26Å; L286-N290 WeakPolarHBondContact O-CB 3.31Å; L286-N290 PolarHBondContact O-N 3.39Å; I288-N290 VanDerWaalsContact C-N 3.33Å; I288-N290 PolarHBondContact O-N 3.39Å; N290-F292 VanDerWaalsContact C-N 3.32Å; N290-F292 PolarHBondContact O-N 3.17Å; N290-L293 PolarHBondContact O-N 3.37Å; N290-Q294 WeakPolarHBondContact O-CB 3.48Å; N290-Q294 VanDerWaalsContact O-CG 3.27Å; N290-Q294 WeakPolarHBondContact O-CG 3.47Å; N290-Q294 PolarHBondContact O-N 3.02Å
291R87Confident85.1Confident182 Ų18286 Ų8669%0.68743%0.433SS*.Hα-helixtrans-63.9-37.7176.1-82.5-177.6152.6-172.7-4.8112.4S287 I288 K295S287-R291 WeakPolarHBondContact O-CB 3.23Å; S287-R291 WeakPolarHBondContact O-CG 3.34Å; S287-R291 PolarHBondContact O-N 3.36Å; S287-R291 VanDerWaalsContact O-N 3.16Å; I288-R291 PolarHBondContact O-N 2.96Å; R291-K295 WeakPolarHBondContact O-CB 3.24Å; R291-K295 WeakPolarHBondContact O-CG 3.4Å; R291-K295 PolarHBondContact O-N 3.2Å
292F87.1Confident84.9Confident59 Ų5985.1 Ų85.126%0.25943%0.43SS..Hα-helixtrans-62.3-50.5174.8176.1-99.9000110.9M277 I280 I288 S289 N290 K295 L296M277-F292 HydrophobicContact CB-CE1 4.28Å; M277-F292 HydrophobicContact CG-CE1 4.12Å; I280-F292 HydrophobicContact CD1-CD1 4.07Å; I280-F292 HydrophobicContact CD1-CD2 3.65Å; I280-F292 HydrophobicContact CD1-CE1 4.01Å; I280-F292 HydrophobicContact CD1-CE2 3.59Å; I280-F292 HydrophobicContact CD1-CG 3.9Å; I280-F292 HydrophobicContact CD1-CZ 3.78Å; I280-F292 HydrophobicContact CG2-CB 4.23Å; I280-F292 HydrophobicContact CG2-CD1 4.31Å; I280-F292 HydrophobicContact CG2-CG 4.25Å; I288-F292 WeakPolarHBondContact O-CB 3.37Å; I288-F292 PolarHBondContact O-N 3.42Å; S289-F292 WeakPolarHBondContact O-CB 3.47Å; S289-F292 PolarHBondContact O-N 3.46Å; N290-F292 VanDerWaalsContact C-N 3.32Å; N290-F292 PolarHBondContact O-N 3.17Å; F292-K295 PolarHBondContact O-N 2.72Å; F292-L296 HydrophobicContact CE1-CD1 4.13Å; F292-L296 HydrophobicContact CE2-CD1 4.33Å; F292-L296 HydrophobicContact CZ-CD1 3.76Å; F292-L296 WeakPolarHBondContact O-CB 3.39Å; F292-L296 PolarHBondContact O-N 2.93Å
293L82.9Confident84.8Confident7 Ų785.4 Ų85.44%0.03742%0.424CS..Hα-helixtrans-62.6-43.6178-71.9174.7000112.5Q154 P155 F156 S289 N290 K295 L296 F297Q154-L293 HydrophobicContact CB-CD1 4.46Å; P155-L293 HydrophobicContact CG-CD1 4.2Å; F156-L293 HydrophobicContact CE2-CD2 4.23Å; S289-L293 WeakPolarHBondContact O-CG 3.47Å; S289-L293 PolarHBondContact O-N 3.41Å; N290-L293 PolarHBondContact O-N 3.37Å; L293-K295 PolarHBondContact O-N 3.32Å; L293-L296 PolarHBondContact O-N 3.1Å; L293-L296 VanDerWaalsContact O-N 3.16Å; L293-F297 HydrophobicContact CD2-CD2 4.01Å; L293-F297 HydrophobicContact CD2-CE2 3.8Å; L293-F297 PolarHBondContact O-N 3.09Å
294Q83.3Confident84.8Confident115 Ų11578.2 Ų78.254%0.53740%0.398SS..Hα-helixtrans-58.9-45.9176.3-77.1174.6-7.900111.8N290 L296 V298N290-Q294 WeakPolarHBondContact O-CB 3.48Å; N290-Q294 VanDerWaalsContact O-CG 3.27Å; N290-Q294 WeakPolarHBondContact O-CG 3.47Å; N290-Q294 PolarHBondContact O-N 3.02Å; Q294-L296 VanDerWaalsContact C-N 3.26Å; Q294-L296 PolarHBondContact O-N 3.27Å; Q294-V298 CarbonylContact O-C 3.46Å; Q294-V298 WeakPolarHBondContact O-CA 3.42Å; Q294-V298 WeakPolarHBondContact O-CB 3.27Å; Q294-V298 PolarHBondContact O-N 3.2Å
295K83.6Confident84.7Confident163 Ų16379.6 Ų79.671%0.70940%0.398SS*.Hα-helixtrans-65.8-29.2177.7-78-173.9175.4-172.20113.4R291 F292 L293 K299R291-K295 WeakPolarHBondContact O-CB 3.24Å; R291-K295 WeakPolarHBondContact O-CG 3.4Å; R291-K295 PolarHBondContact O-N 3.2Å; F292-K295 PolarHBondContact O-N 2.72Å; L293-K295 PolarHBondContact O-N 3.32Å; K295-K299 WeakPolarHBondContact O-CE 3.47Å
296L79.2Confident84.6Confident72 Ų7277.2 Ų77.238%0.37739%0.386SS..Hα-helixtrans-84-40.3-177-158.4136.8000112F240 F292 L293 Q294F240-L296 WeakPolarHBondContact CZ-O 3.44Å; F292-L296 HydrophobicContact CE1-CD1 4.13Å; F292-L296 HydrophobicContact CE2-CD1 4.33Å; F292-L296 HydrophobicContact CZ-CD1 3.76Å; F292-L296 WeakPolarHBondContact O-CB 3.39Å; F292-L296 PolarHBondContact O-N 2.93Å; L293-L296 PolarHBondContact O-N 3.1Å; L293-L296 VanDerWaalsContact O-N 3.16Å; Q294-L296 VanDerWaalsContact C-N 3.26Å; Q294-L296 PolarHBondContact O-N 3.27Å
297F72.6Confident84.7Confident30 Ų3075.1 Ų75.113%0.13238%0.375CS..Hα-helixtrans-111.4-19.9-171.3-67.5-73.6000115.5F156 L236 F240 L293F156-F297 HydrophobicContact CD1-CD1 4.23Å; F156-F297 HydrophobicContact CD1-CD2 4.39Å; F156-F297 AromaticContact CD1-CE1 3.68Å; F156-F297 HydrophobicContact CD1-CE1 3.68Å; F156-F297 AromaticContact CD1-CE2 3.84Å; F156-F297 HydrophobicContact CD1-CE2 3.84Å; F156-F297 AromaticContact CD1-CZ 3.48Å; F156-F297 HydrophobicContact CD1-CZ 3.48Å; F156-F297 VanDerWaalsContact CD1-CZ 3.48Å; F156-F297 HydrophobicContact CD2-CE2 4.49Å; F156-F297 AromaticContact CE1-CE1 3.57Å; F156-F297 HydrophobicContact CE1-CE1 3.57Å; F156-F297 AromaticContact CE1-CE2 3.55Å; F156-F297 HydrophobicContact CE1-CE2 3.55Å; F156-F297 AromaticContact CE1-CZ 3Å; F156-F297 HydrophobicContact CE1-CZ 3Å; F156-F297 HydrophobicContact CE2-CE2 4.19Å; F156-F297 HydrophobicContact CE2-CZ 4.42Å; F156-F297 HydrophobicContact CG-CE2 4.33Å; F156-F297 HydrophobicContact CG-CZ 4.39Å; F156-F297 HydrophobicContact CZ-CE1 4.49Å; F156-F297 AromaticContact CZ-CE2 3.72Å; F156-F297 HydrophobicContact CZ-CE2 3.72Å; F156-F297 AromaticContact CZ-CZ 3.55Å; F156-F297 HydrophobicContact CZ-CZ 3.55Å; L236-F297 WeakPolarHBondContact CD2-O 3.49Å; F240-F297 HydrophobicContact CE2-CD1 4.24Å; L293-F297 HydrophobicContact CD2-CD2 4.01Å; L293-F297 HydrophobicContact CD2-CE2 3.8Å; L293-F297 PolarHBondContact O-N 3.09Å
298V71.1Confident84.6Confident57 Ų5771.8 Ų71.835%0.34535%0.348SS..  trans-116.760.4-176.1-165.70000109.8P157 Q294 K300P157-V298 HydrophobicContact CB-CG2 3.54Å; P157-V298 HydrophobicContact CG-CG2 3.5Å; Q294-V298 CarbonylContact O-C 3.46Å; Q294-V298 WeakPolarHBondContact O-CA 3.42Å; Q294-V298 WeakPolarHBondContact O-CB 3.27Å; Q294-V298 PolarHBondContact O-N 3.2Å; V298-K300 HydrophobicContact CG1-CB 4.48Å; V298-K300 HydrophobicContact CG1-CG 4.2Å; V298-K300 PolarHBondContact O-N 3.47Å
299K75.9Confident84.1Confident149 Ų14972.3 Ų72.365%0.64835%0.347SS*.  trans-86.847.9168.6-66.2-173.9-178.3177.60110.7K295K295-K299 WeakPolarHBondContact O-CE 3.47Å
300K76.4Confident83.6Confident36 Ų3679.6 Ų79.616%0.15738%0.381CS..  trans-82.5133.9176.6-62.7-165.772176.30109.4Y229 E232 T233 L236 V298Y229-K300 VanDerWaalsContact CD2-NZ 3.28Å; Y229-K300 HydrophobicContact CE2-CD 4.11Å; Y229-K300 PolarHBondContact O-NZ 3.42Å; E232-K300 WeakPolarHBondContact OE2-CE 3.23Å; T233-K300 PolarHBondContact OG1-NZ 3.25Å; L236-K300 HydrophobicContact CD2-CG 4.1Å; V298-K300 HydrophobicContact CG1-CB 4.48Å; V298-K300 HydrophobicContact CG1-CG 4.2Å; V298-K300 PolarHBondContact O-N 3.47Å
301T80.4Confident82.8Confident120 Ų12079.8 Ų79.874%0.73639%0.387SS*.  trans-90.4-29.8174.664.70000111.1E232E232-T301 WeakPolarHBondContact OE1-CA 3.14Å; E232-T301 WeakPolarHBondContact OE1-CB 3.38Å; E232-T301 PolarHBondContact OE1-N 2.99Å; E232-T301 PolarHBondContact OE1-OG1 2.98Å; E232-T301 PolarHBondContact OE2-N 3.22Å
302L85.4Confident81.6Confident51 Ų5173.1 Ų73.127%0.26737%0.374SS..  trans-89.1135.2179.5-58.2175.9000111.1D228 Y229 E232D228-L302 HydrophobicContact CB-CD1 4.04Å; Y229-L302 HydrophobicContact CD2-CB 4.35Å; Y229-L302 VanDerWaalsContact CD2-O 3.25Å; Y229-L302 WeakPolarHBondContact CD2-O 3.07Å; Y229-L302 WeakPolarHBondContact CE2-O 3.44Å; E232-L302 HydrophobicContact CB-CD1 4.25Å; E232-L302 PolarHBondContact OE1-N 3.19Å; E232-L302 VanDerWaalsContact OE2-CB 3.28Å; E232-L302 WeakPolarHBondContact OE2-CB 3.49Å; E232-L302 PolarHBondContact OE2-N 3.32Å
303M88.8Confident80.2Confident85 Ų8574.3 Ų74.342%0.41938%0.383SS..  trans-88.7155.4163.9-64.5-170.9-63.600109.8R305 L307 R308 L313M303-R305 PolarHBondContact O-N 3.14Å; M303-L307 HydrophobicContact CB-CB 4.42Å; M303-R308 HydrophobicContact CB-CG 4.07Å; M303-R308 HydrophobicContact CE-CG 4.5Å; M303-R308 WeakPolarHBondContact O-CD 3.46Å; M303-R308 PolarHBondContact O-NE 3.42Å; M303-L313 HydrophobicContact CE-CD1 4.43Å
304P92.3Very high78.8Confident25 Ų2577 Ų7716%0.16240%0.395CS..  trans-45.7139167.8-29.535.4000111.8E224 Y225 Y229 A306 L307 R308E224-P304 CarbonylContact O-C 3.59Å; Y225-P304 HydrophobicContact CD1-CB 4.07Å; Y225-P304 HydrophobicContact CD1-CG 3.99Å; Y225-P304 HydrophobicContact CE1-CB 4.44Å; Y225-P304 HydrophobicContact CE1-CG 4.04Å; Y229-P304 HydrophobicContact CD2-CG 4.41Å; Y229-P304 HydrophobicContact CE2-CG 4.02Å; P304-A306 VanDerWaalsContact C-N 3.27Å; P304-A306 PolarHBondContact O-N 3.3Å; P304-L307 HydrophobicContact CG-CD1 4.35Å; P304-L307 PolarHBondContact O-N 3.19Å; P304-R308 PolarHBondContact O-N 2.92Å
305R92.7Very high77.1Confident69 Ų6974.1 Ų74.126%0.2639%0.391SS..Hα-helixtrans-51.4-42.9-175.6-167.2-178.8-70.1164.8-5.3113.1E223 E224 Y225 G226 D228 M303 L307 R308 K309 E314E223-R305 WeakPolarHBondContact O-CD 3.23Å; E224-R305 CarbonylContact O-C 3.58Å; E224-R305 WeakPolarHBondContact O-CA 3.45Å; E224-R305 WeakPolarHBondContact O-CB 3.26Å; E224-R305 PolarHBondContact O-N 3.11Å; Y225-R305 PolarHBondContact O-N 3.41Å; G226-R305 VanDerWaalsContact CA-CZ 3.48Å; D228-R305 IonicContact OD1-NH2 2.67Å; M303-R305 PolarHBondContact O-N 3.14Å; R305-L307 VanDerWaalsContact C-N 3.28Å; R305-L307 PolarHBondContact O-N 2.81Å; R305-R308 WeakPolarHBondContact O-CB 3.25Å; R305-R308 PolarHBondContact O-N 2.98Å; R305-R308 VanDerWaalsContact O-N 3.09Å; R305-K309 PolarHBondContact O-N 3.15Å; R305-E314 WeakPolarHBondContact CG-OE1 3.38Å
306A91.9Very high75.2Confident33 Ų3371.4 Ų71.427%0.27338%0.384SS..Hα-helixtrans-56.6-40.4177.600000112.6E224 P304 K309 Q310E224-A306 HydrophobicContact CB-CB 4.43Å; E224-A306 PolarHBondContact O-N 3.3Å; P304-A306 VanDerWaalsContact C-N 3.27Å; P304-A306 PolarHBondContact O-N 3.3Å; A306-K309 PolarHBondContact O-N 2.9Å; A306-Q310 WeakPolarHBondContact O-CG 3.31Å; A306-Q310 PolarHBondContact O-N 3.34Å
307L90.9Very high73.9Confident83 Ų8372.7 Ų72.744%0.43539%0.391SS..Hα-helixtrans-73.5-31.6178.1-61.9-178.6000112.3M303 P304 R305 Q310 S311M303-L307 HydrophobicContact CB-CB 4.42Å; P304-L307 HydrophobicContact CG-CD1 4.35Å; P304-L307 PolarHBondContact O-N 3.19Å; R305-L307 VanDerWaalsContact C-N 3.28Å; R305-L307 PolarHBondContact O-N 2.81Å; L307-Q310 PolarHBondContact O-N 2.95Å; L307-S311 WeakPolarHBondContact O-CB 3.42Å; L307-S311 PolarHBondContact O-N 3.5Å; L307-S311 VanDerWaalsContact O-N 3.07Å; L307-S311 PolarHBondContact O-OG 3.07Å
308R89.2Confident72.4Confident17 Ų1774.3 Ų74.36%0.06441%0.406CS..Hα-helixtrans-67.9-38.2174.2-68.2-175.7-75.8162.2-2.9112.2D228 M303 P304 R305 S311 G312 L313 E314D228-R308 IonicContact OD1-NH2 3.88Å; D228-R308 PolarHBondContact OD1-NH2 3.35Å; D228-R308 IonicContact OD2-CZ 3.77Å; D228-R308 IonicContact OD2-NH1 3.03Å; D228-R308 PolarHBondContact OD2-NH1 2.92Å; D228-R308 IonicContact OD2-NH2 3.96Å; D228-R308 PolarHBondContact OD2-NH2 3.28Å; M303-R308 HydrophobicContact CB-CG 4.07Å; M303-R308 HydrophobicContact CE-CG 4.5Å; M303-R308 WeakPolarHBondContact O-CD 3.46Å; M303-R308 PolarHBondContact O-NE 3.42Å; P304-R308 PolarHBondContact O-N 2.92Å; R305-R308 WeakPolarHBondContact O-CB 3.25Å; R305-R308 PolarHBondContact O-N 2.98Å; R305-R308 VanDerWaalsContact O-N 3.09Å; R308-S311 WeakPolarHBondContact CA-OG 3.44Å; R308-S311 PolarHBondContact O-N 3.31Å; R308-S311 PolarHBondContact O-OG 3.08Å; R308-G312 PolarHBondContact O-N 2.95Å; R308-L313 PolarHBondContact O-N 2.74Å; R308-L313 VanDerWaalsContact O-N 3.1Å; R308-E314 HydrophobicContact CB-CG 4.16Å
309K80.7Confident71Confident101 Ų10176 Ų7644%0.43941%0.413SS..Hα-helixtrans-62.3-45173-74.3178178179.90111.7E223 R305 A306 S311 G312 E314E223-K309 IonicContact OE1-NZ 2.75Å; R305-K309 PolarHBondContact O-N 3.15Å; A306-K309 PolarHBondContact O-N 2.9Å; K309-S311 VanDerWaalsContact C-N 3.32Å; K309-S311 PolarHBondContact O-N 3.01Å; K309-G312 PolarHBondContact O-N 3.3Å; K309-E314 VanDerWaalsContact CE-OE2 3.28Å; K309-E314 WeakPolarHBondContact CE-OE2 3.13Å; K309-E314 HydrophobicContact CG-CG 4.36Å; K309-E314 WeakPolarHBondContact CG-OE2 3.28Å
310Q76.3Confident69.3Low159 Ų15974.2 Ų74.274%0.74341%0.41SS*.Hα-helixtrans-67.1-31.1178.9-71.5175.22.900113.5A306 L307A306-Q310 WeakPolarHBondContact O-CG 3.31Å; A306-Q310 PolarHBondContact O-N 3.34Å; L307-Q310 PolarHBondContact O-N 2.95Å
311S70.9Confident67.5Low63 Ų6378 Ų7844%0.44143%0.432SS..THydrogen-bonded Turntrans-88.91.7179.7520000114.1L307 R308 K309 L313L307-S311 WeakPolarHBondContact O-CB 3.42Å; L307-S311 PolarHBondContact O-N 3.5Å; L307-S311 VanDerWaalsContact O-N 3.07Å; L307-S311 PolarHBondContact O-OG 3.07Å; R308-S311 WeakPolarHBondContact CA-OG 3.44Å; R308-S311 PolarHBondContact O-N 3.31Å; R308-S311 PolarHBondContact O-OG 3.08Å; K309-S311 VanDerWaalsContact C-N 3.32Å; K309-S311 PolarHBondContact O-N 3.01Å; S311-L313 PolarHBondContact O-N 3.48Å; S311-L313 VanDerWaalsContact OG-CD1 3.24Å; S311-L313 WeakPolarHBondContact OG-CD1 3.24Å
312G62Low65.6Low41 Ų4177.1 Ų77.142%0.42342%0.423SS..THydrogen-bonded Turntrans71.69.6-18000000114.9R308 K309R308-G312 PolarHBondContact O-N 2.95Å; K309-G312 PolarHBondContact O-N 3.3Å
313L58.3Low63.3Low85 Ų8579.9 Ų79.945%0.44544%0.438SS..Hα-helixtrans-73.2-26.2-175.3-95.9113.6000114M303 R308 S311 A315 N316M303-L313 HydrophobicContact CE-CD1 4.43Å; R308-L313 PolarHBondContact O-N 2.74Å; R308-L313 VanDerWaalsContact O-N 3.1Å; S311-L313 PolarHBondContact O-N 3.48Å; S311-L313 VanDerWaalsContact OG-CD1 3.24Å; S311-L313 WeakPolarHBondContact OG-CD1 3.24Å; L313-A315 VanDerWaalsContact C-N 3.28Å; L313-A315 PolarHBondContact O-N 3.07Å; L313-N316 PolarHBondContact O-N 3.49Å
314E53Low61Low63 Ų6383.7 Ų83.729%0.29446%0.455SS..Hα-helixtrans-68.1-26.5177.4-73.3-165.9162.600113.2R305 R308 K309 N316 S318R305-E314 WeakPolarHBondContact CG-OE1 3.38Å; R308-E314 HydrophobicContact CB-CG 4.16Å; K309-E314 VanDerWaalsContact CE-OE2 3.28Å; K309-E314 WeakPolarHBondContact CE-OE2 3.13Å; K309-E314 HydrophobicContact CG-CG 4.36Å; K309-E314 WeakPolarHBondContact CG-OE2 3.28Å; E314-N316 VanDerWaalsContact C-N 3.29Å; E314-N316 PolarHBondContact O-N 2.99Å; E314-S318 PolarHBondContact O-N 3.44Å; E314-S318 PolarHBondContact O-OG 3.43Å
315A48Very low58.5Low54 Ų5490.6 Ų90.645%0.44649%0.485SS..Hα-helixtrans-65.9-32.717600000111.9L313 S318 L319L313-A315 VanDerWaalsContact C-N 3.28Å; L313-A315 PolarHBondContact O-N 3.07Å; A315-S318 PolarHBondContact O-OG 3.36Å; A315-S318 VanDerWaalsContact O-OG 3.11Å; A315-L319 WeakPolarHBondContact O-CB 3.48Å; A315-L319 VanDerWaalsContact O-CD1 3.23Å; A315-L319 WeakPolarHBondContact O-CD1 3.5Å; A315-L319 WeakPolarHBondContact O-CG 3.43Å; A315-L319 PolarHBondContact O-N 3.18Å
316N44.2Very low55.9Low106 Ų10696.1 Ų96.157%0.56751%0.511SS*.Hα-helixtrans-81.9-31.4-177.7-72.7-30.1000113.5L313 E314 N320L313-N316 PolarHBondContact O-N 3.49Å; E314-N316 VanDerWaalsContact C-N 3.29Å; E314-N316 PolarHBondContact O-N 2.99Å; N316-N320 PolarHBondContact O-N 3.29Å; N316-N320 VanDerWaalsContact O-N 3.14Å
317L50.3Low53.6Low100 Ų100102.3 Ų102.352%0.52454%0.538SS..Hα-helixtrans-71.8-36.8175.4-75.5160.7000112N321L317-N321 PolarHBondContact O-N 3.33Å
318S42.3Very low50.8Low63 Ų63107.3 Ų107.344%0.44156%0.56SS.*Hα-helixtrans-72.6-32.3174.649.90000113.1E314 A315 N322E314-S318 PolarHBondContact O-N 3.44Å; E314-S318 PolarHBondContact O-OG 3.43Å; A315-S318 PolarHBondContact O-OG 3.36Å; A315-S318 VanDerWaalsContact O-OG 3.11Å; S318-N322 PolarHBondContact O-N 2.98Å; S318-N322 PolarHBondContact O-ND2 3.06Å
319L40.5Very low48.6Very low94 Ų94112.6 Ų112.649%0.49260%0.596SS.*Hα-helixtrans-70.8-33.4173.3-75.9165.8000113.2A315 N322 N323A315-L319 WeakPolarHBondContact O-CB 3.48Å; A315-L319 VanDerWaalsContact O-CD1 3.23Å; A315-L319 WeakPolarHBondContact O-CD1 3.5Å; A315-L319 WeakPolarHBondContact O-CG 3.43Å; A315-L319 PolarHBondContact O-N 3.18Å; L319-N322 PolarHBondContact O-N 3.45Å; L319-N323 PolarHBondContact O-N 3.22Å; L319-N323 PolarHBondContact O-ND2 3.31Å
320N40.1Very low46.6Very low110 Ų110119.8 Ų119.859%0.58864%0.638SS**Hα-helixtrans-70.8-39.7176.2-91.30.1000112.8N316 N322 N323 E324N316-N320 PolarHBondContact O-N 3.29Å; N316-N320 VanDerWaalsContact O-N 3.14Å; N320-N322 VanDerWaalsContact C-N 3.29Å; N320-N322 PolarHBondContact O-N 2.82Å; N320-N323 PolarHBondContact O-N 3.46Å; N320-E324 PolarHBondContact O-N 3.11Å
321N40.3Very low45.1Very low116 Ų116117.8 Ų117.862%0.6263%0.633SS**Hα-helixtrans-65.9-31.7174.9-79.21.4000112.7L317 N323L317-N321 PolarHBondContact O-N 3.33Å; N321-N323 VanDerWaalsContact C-N 3.32Å; N321-N323 PolarHBondContact O-N 2.97Å
322N39.1Very low43.7Very low102 Ų102120.7 Ų120.755%0.54564%0.643SS.*Hα-helixtrans-77.9-14.1177.1-73.4-19.1000114S318 L319 N320S318-N322 PolarHBondContact O-N 2.98Å; S318-N322 PolarHBondContact O-ND2 3.06Å; L319-N322 PolarHBondContact O-N 3.45Å; N320-N322 VanDerWaalsContact C-N 3.29Å; N320-N322 PolarHBondContact O-N 2.82Å
323N37.2Very low42.7Very low108 Ų108125.1 Ų125.158%0.57866%0.655SS**Hα-helixtrans-92-18.2178.5-77.3-22.7000113.1L319 N320 N321L319-N323 PolarHBondContact O-N 3.22Å; L319-N323 PolarHBondContact O-ND2 3.31Å; N320-N323 PolarHBondContact O-N 3.46Å; N321-N323 VanDerWaalsContact C-N 3.32Å; N321-N323 PolarHBondContact O-N 2.97Å
324E40.4Very low41.8Very low166 Ų166127.5 Ų127.578%0.77667%0.667SS**Hα-helixtrans-81.4-20.1175.5-71.9-169.5161.200113.5N320 K326N320-E324 PolarHBondContact O-N 3.11Å; E324-K326 VanDerWaalsContact C-N 3.33Å; E324-K326 PolarHBondContact O-N 3.13Å
325E40.6Very low41.1Very low170 Ų170131.5 Ų131.579%0.79469%0.691SS**THydrogen-bonded Turntrans-81.81.6178.1-81.1-169.9158.300115.2
326K38.7Very low40.6Very low184 Ų184136.7 Ų136.780%0.871%0.707SS**THydrogen-bonded Turntrans-110.112.5-174.2-90-173-179.4179.10117.4E324E324-K326 VanDerWaalsContact C-N 3.33Å; E324-K326 PolarHBondContact O-N 3.13Å
327L42.1Very low40.4Very low163 Ų163138.9 Ų138.985%0.85372%0.717SS**  trans-116.387.9170.6-90.9127.4000111.3
328Q31.8Very low39.6Very low189 Ų189141.8 Ų141.888%0.88373%0.732SS**  trans-110.3130.2152.8-76.2-168.9-11.700108.9
329P43.8Very low39.4Very low128 Ų128148.4 Ų148.483%0.83176%0.756SS**  trans-77.4153.4-179.131.9-33.1000112.1
330L37.9Very low39.3Very low251 Ų251153.4 Ų153.4100%1.31478%0.78SS**  trans-43.40176.4-79.7146.5000115.3

Retrieved 330 of 330 residues in 987.6 ms (Link to these results)

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