A0A096N5T4_PAPAN Loading...

CDKN2A interacting protein N-terminal like

AlphaFold DB (H9G1P6), UniProt , Accession A0A096N5T4, Species PAPAN (Papio anubis, Olive baboon), Gene CDKN2AIPNL, Length 116 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
1M55.5Low76.5Confident232 Ų23298.5 Ų98.5100%1.14362%0.624SS**  023.30-71.5178.4167.400113
2V59Low77.4Confident122 Ų122103 Ų10374%0.73963%0.631SS**Hα-helixtrans-78.8-23.6-173.5178.40000113.6G4V2-G4 PolarHBondContact O-N 3.42Å
3G60.3Low78Confident62 Ų62104.5 Ų104.564%0.63963%0.632SS**Hα-helixtrans-71.5-22.6-175.900000115.6A7G3-A7 WeakPolarHBondContact O-CB 3.4Å; G3-A7 PolarHBondContact O-N 3.35Å
4G74.2Confident78.4Confident54 Ų54103.7 Ų103.756%0.55763%0.627SS**Hα-helixtrans-77.8-34.6-17900000113.4V2 A8V2-G4 PolarHBondContact O-N 3.42Å; G4-A8 PolarHBondContact O-N 2.73Å
5E78.9Confident78.9Confident156 Ų156100.7 Ų100.773%0.72961%0.613SS**Hα-helixtrans-75.4-40.2-178.6-167.5174.3175.200111.6A8 A9E5-A8 PolarHBondContact O-N 3.08Å; E5-A9 PolarHBondContact O-N 2.82Å; E5-A9 VanDerWaalsContact O-N 3.07Å
6A80.3Confident79.3Confident58 Ų5896.7 Ų96.748%0.47960%0.598SS.*Hα-helixtrans-64.4-39.4173.900000112.3V10A6-V10 VanDerWaalsContact O-CG2 3.3Å; A6-V10 WeakPolarHBondContact O-CG2 3.35Å; A6-V10 PolarHBondContact O-N 3.37Å; A6-V10 VanDerWaalsContact O-N 3.14Å
7A84.9Confident79.6Confident50 Ų5096.4 Ų96.441%0.41360%0.595SS.*Hα-helixtrans-64.7-43.8176.900000111.9G3 A9 V10 E11G3-A7 WeakPolarHBondContact O-CB 3.4Å; G3-A7 PolarHBondContact O-N 3.35Å; A7-A9 PolarHBondContact O-N 3.36Å; A7-V10 PolarHBondContact O-N 3.41Å; A7-E11 PolarHBondContact O-N 3.13Å
8A85.9Confident80Confident56 Ų56100.9 Ų100.946%0.46360%0.6SS.*Hα-helixtrans-62.5-42.8177.400000112.5G4 E5 V10 E11 E12G4-A8 PolarHBondContact O-N 2.73Å; E5-A8 PolarHBondContact O-N 3.08Å; A8-V10 VanDerWaalsContact C-N 3.31Å; A8-V10 PolarHBondContact O-N 2.83Å; A8-E11 PolarHBondContact O-N 3.3Å; A8-E12 PolarHBondContact O-N 3.07Å
9A87.1Confident80.5Confident57 Ų57102.2 Ų102.247%0.47160%0.599SS.*Hα-helixtrans-63.6-36.7177.100000112.6E5 A7 L13E5-A9 PolarHBondContact O-N 2.82Å; E5-A9 VanDerWaalsContact O-N 3.07Å; A7-A9 PolarHBondContact O-N 3.36Å; A9-L13 WeakPolarHBondContact O-CB 3.17Å; A9-L13 PolarHBondContact O-N 3.23Å; A9-L13 VanDerWaalsContact O-N 3.08Å
10V87.3Confident80.8Confident90 Ų9098.8 Ų98.855%0.54558%0.583SS.*Hα-helixtrans-66.6-44.6174.7171.10000111A6 A7 A8 E12 L13 V14A6-V10 VanDerWaalsContact O-CG2 3.3Å; A6-V10 WeakPolarHBondContact O-CG2 3.35Å; A6-V10 PolarHBondContact O-N 3.37Å; A6-V10 VanDerWaalsContact O-N 3.14Å; A7-V10 PolarHBondContact O-N 3.41Å; A8-V10 VanDerWaalsContact C-N 3.31Å; A8-V10 PolarHBondContact O-N 2.83Å; V10-E12 VanDerWaalsContact C-N 3.34Å; V10-E12 PolarHBondContact O-N 3.18Å; V10-L13 PolarHBondContact O-N 3.27Å; V10-V14 HydrophobicContact CG1-CG2 4.34Å; V10-V14 VanDerWaalsContact O-CG2 3.28Å; V10-V14 WeakPolarHBondContact O-CG2 3.37Å; V10-V14 PolarHBondContact O-N 3.4Å
11E88.4Confident81.2Confident146 Ų14695.5 Ų95.568%0.68257%0.567SS**Hα-helixtrans-61.9-41.4177.8-74.8-177179.100112.3A7 A8 V14 S15A7-E11 PolarHBondContact O-N 3.13Å; A8-E11 PolarHBondContact O-N 3.3Å; E11-V14 PolarHBondContact O-N 3.21Å; E11-S15 WeakPolarHBondContact O-CB 3.38Å; E11-S15 PolarHBondContact O-N 3.04Å
12E86.9Confident83Confident153 Ų15389.1 Ų89.172%0.71554%0.537SS*.Hα-helixtrans-62.3-45.5176-171.9178.2175.400111.5A8 V10 V14 S15 G16A8-E12 PolarHBondContact O-N 3.07Å; V10-E12 VanDerWaalsContact C-N 3.34Å; V10-E12 PolarHBondContact O-N 3.18Å; E12-V14 PolarHBondContact O-N 2.79Å; E12-S15 PolarHBondContact O-N 3.39Å; E12-G16 PolarHBondContact O-N 3.27Å
13L84.9Confident84.5Confident123 Ų12386.8 Ų86.864%0.64452%0.517SS*.Hα-helixtrans-61.1-45.9176.7-178.564.7000111.7A9 V10 S15 G16 V17A9-L13 WeakPolarHBondContact O-CB 3.17Å; A9-L13 PolarHBondContact O-N 3.23Å; A9-L13 VanDerWaalsContact O-N 3.08Å; V10-L13 PolarHBondContact O-N 3.27Å; L13-S15 VanDerWaalsContact C-N 3.33Å; L13-S15 PolarHBondContact O-N 3.02Å; L13-G16 PolarHBondContact O-N 3.48Å; L13-V17 WeakPolarHBondContact O-CG2 3.17Å; L13-V17 PolarHBondContact O-N 2.8Å
14V84.6Confident86Confident93 Ų9383.8 Ų83.856%0.56449%0.487SS*.Hα-helixtrans-61.8-42.3178.41700000111V10 E11 E12 V17 R18V10-V14 HydrophobicContact CG1-CG2 4.34Å; V10-V14 VanDerWaalsContact O-CG2 3.28Å; V10-V14 WeakPolarHBondContact O-CG2 3.37Å; V10-V14 PolarHBondContact O-N 3.4Å; E11-V14 PolarHBondContact O-N 3.21Å; E12-V14 PolarHBondContact O-N 2.79Å; V14-V17 PolarHBondContact O-N 3.44Å; V14-R18 WeakPolarHBondContact O-CB 3.44Å; V14-R18 PolarHBondContact O-N 3.16Å
15S85.8Confident87Confident59 Ų5985.3 Ų85.341%0.41348%0.479SS..Hα-helixtrans-61.2-44.5175.8-175.40000111.7E11 E12 L13 R18 Q19E11-S15 WeakPolarHBondContact O-CB 3.38Å; E11-S15 PolarHBondContact O-N 3.04Å; E12-S15 PolarHBondContact O-N 3.39Å; L13-S15 VanDerWaalsContact C-N 3.33Å; L13-S15 PolarHBondContact O-N 3.02Å; S15-R18 PolarHBondContact O-N 2.94Å; S15-Q19 WeakPolarHBondContact O-CG 3.46Å; S15-Q19 PolarHBondContact O-N 3.21Å; S15-Q19 PolarHBondContact OG-NE2 3.03Å; S15-Q19 VanDerWaalsContact OG-NE2 3.15Å
16G84.8Confident87.7Confident36 Ų3684.6 Ų84.637%0.37148%0.476SS..Hα-helixtrans-62.3-44.4176.900000112.8E12 L13 R18 Q19 A20E12-G16 PolarHBondContact O-N 3.27Å; L13-G16 PolarHBondContact O-N 3.48Å; G16-R18 VanDerWaalsContact C-N 3.33Å; G16-R18 PolarHBondContact O-N 2.9Å; G16-Q19 PolarHBondContact O-N 3.38Å; G16-A20 WeakPolarHBondContact O-CB 3.44Å; G16-A20 PolarHBondContact O-N 3.47Å
17V84.9Confident88.4Confident91 Ų9184.4 Ų84.455%0.55246%0.464SS*.Hα-helixtrans-61.7-42.5176.4171.40000111L13 V14 A20 A21L13-V17 WeakPolarHBondContact O-CG2 3.17Å; L13-V17 PolarHBondContact O-N 2.8Å; V14-V17 PolarHBondContact O-N 3.44Å; V17-A20 PolarHBondContact O-N 3.32Å; V17-A21 PolarHBondContact O-N 2.81Å
18R87Confident89Confident179 Ų17985.3 Ų85.368%0.67546%0.457SS*.Hα-helixtrans-62.8-46.8178.6-167.2178.4-148.1-152.43.3112.1V14 S15 G16 A20 A21 D22V14-R18 WeakPolarHBondContact O-CB 3.44Å; V14-R18 PolarHBondContact O-N 3.16Å; S15-R18 PolarHBondContact O-N 2.94Å; G16-R18 VanDerWaalsContact C-N 3.33Å; G16-R18 PolarHBondContact O-N 2.9Å; R18-A20 VanDerWaalsContact C-N 3.3Å; R18-A20 PolarHBondContact O-N 3.48Å; R18-A21 PolarHBondContact O-N 2.78Å; R18-D22 VanDerWaalsContact O-CG 3.3Å; R18-D22 PolarHBondContact O-N 3.45Å
19Q88.8Confident89.4Confident124 Ų12485 Ų8558%0.57945%0.452SS*.Hα-helixtrans-61.6-39.7178.2-71.1172.339.400112S15 G16 F23S15-Q19 WeakPolarHBondContact O-CG 3.46Å; S15-Q19 PolarHBondContact O-N 3.21Å; S15-Q19 PolarHBondContact OG-NE2 3.03Å; S15-Q19 VanDerWaalsContact OG-NE2 3.15Å; G16-Q19 PolarHBondContact O-N 3.38Å; Q19-F23 WeakPolarHBondContact O-CB 3.48Å; Q19-F23 PolarHBondContact O-N 3.31Å
20A87.4Confident89.8Confident35 Ų3593.8 Ų93.829%0.28948%0.475SS..Hα-helixtrans-65.6-41.4176.900000111.7G16 V17 R18 F23 A24 L45G16-A20 WeakPolarHBondContact O-CB 3.44Å; G16-A20 PolarHBondContact O-N 3.47Å; V17-A20 PolarHBondContact O-N 3.32Å; R18-A20 VanDerWaalsContact C-N 3.3Å; R18-A20 PolarHBondContact O-N 3.48Å; A20-F23 PolarHBondContact O-N 2.91Å; A20-A24 WeakPolarHBondContact O-CB 3.27Å; A20-A24 PolarHBondContact O-N 3.12Å; A20-L45 HydrophobicContact CB-CD2 3.69Å; A20-L45 WeakPolarHBondContact O-CD2 3.26Å
21A88.8Confident90Very high29 Ų2993.9 Ų93.924%0.2448%0.479CS..Hα-helixtrans-64.3-46.1175.900000112.1V17 R18 F23 A24 E25V17-A21 PolarHBondContact O-N 2.81Å; R18-A21 PolarHBondContact O-N 2.78Å; A21-F23 VanDerWaalsContact C-N 3.25Å; A21-F23 PolarHBondContact O-N 3.2Å; A21-A24 PolarHBondContact O-N 3.29Å; A21-A24 VanDerWaalsContact O-N 3.1Å; A21-E25 PolarHBondContact O-N 3.2Å
22D92.4Very high90.3Very high98 Ų9887.6 Ų87.652%0.52445%0.45SS..Hα-helixtrans-61.8-35.3177.3-68.3-21.3000111.8R18R18-D22 VanDerWaalsContact O-CG 3.3Å; R18-D22 PolarHBondContact O-N 3.45Å
23F90.6Very high90.6Very high73 Ų7383 Ų8332%0.3243%0.434SS..Hα-helixtrans-66.9-46.2172.1176.4-103.2000111.7Q19 A20 A21 E25 Q26 F27 L48 L61Q19-F23 WeakPolarHBondContact O-CB 3.48Å; Q19-F23 PolarHBondContact O-N 3.31Å; A20-F23 PolarHBondContact O-N 2.91Å; A21-F23 VanDerWaalsContact C-N 3.25Å; A21-F23 PolarHBondContact O-N 3.2Å; F23-E25 VanDerWaalsContact C-N 3.3Å; F23-E25 PolarHBondContact O-N 2.96Å; F23-Q26 WeakPolarHBondContact O-CB 3.42Å; F23-Q26 WeakPolarHBondContact O-CG 3.44Å; F23-Q26 PolarHBondContact O-N 3.15Å; F23-F27 AromaticContact CD1-CE2 3.93Å; F23-F27 HydrophobicContact CD1-CE2 3.93Å; F23-F27 AromaticContact CE1-CE2 3.5Å; F23-F27 HydrophobicContact CE1-CE2 3.5Å; F23-F27 AromaticContact CE1-CZ 3.9Å; F23-F27 HydrophobicContact CE1-CZ 3.9Å; F23-F27 HydrophobicContact CE2-CE2 4.3Å; F23-F27 HydrophobicContact CE2-CZ 4.12Å; F23-F27 HydrophobicContact CG-CE2 4.5Å; F23-F27 AromaticContact CZ-CE2 3.72Å; F23-F27 HydrophobicContact CZ-CE2 3.72Å; F23-F27 AromaticContact CZ-CZ 3.61Å; F23-F27 HydrophobicContact CZ-CZ 3.61Å; F23-F27 WeakPolarHBondContact O-CE2 3.38Å; F23-L48 HydrophobicContact CD1-CD2 3.86Å; F23-L48 HydrophobicContact CE1-CD1 3.89Å; F23-L48 HydrophobicContact CE1-CD2 4.01Å; F23-L61 HydrophobicContact CZ-CD2 4.04Å
24A91.8Very high91Very high0 Ų083.1 Ų83.10%043%0.432CS..Hα-helixtrans-62.4-37.5179.700000112.2A20 A21 Q26 F27 W37 M41 L45A20-A24 WeakPolarHBondContact O-CB 3.27Å; A20-A24 PolarHBondContact O-N 3.12Å; A21-A24 PolarHBondContact O-N 3.29Å; A21-A24 VanDerWaalsContact O-N 3.1Å; A24-Q26 PolarHBondContact O-N 3.35Å; A24-F27 WeakPolarHBondContact O-CD2 3.38Å; A24-F27 PolarHBondContact O-N 3.27Å; A24-W37 HydrophobicContact CB-CH2 4.49Å; A24-W37 WeakPolarHBondContact O-CH2 3.34Å; A24-W37 WeakPolarHBondContact O-CZ2 3.34Å; A24-M41 HydrophobicContact CB-CG 3.89Å; A24-L45 HydrophobicContact CB-CD2 3.99Å; A24-L45 HydrophobicContact CB-CG 4.29Å
25E95.1Very high91.4Very high85 Ų8584.4 Ų84.440%0.39743%0.43SS..Hα-helixtrans-54.8-27.7179.3-166.163.6-153.700113.2A21 F23 F27 R28 W37A21-E25 PolarHBondContact O-N 3.2Å; F23-E25 VanDerWaalsContact C-N 3.3Å; F23-E25 PolarHBondContact O-N 2.96Å; E25-F27 PolarHBondContact O-N 3.45Å; E25-R28 WeakPolarHBondContact O-CB 3.19Å; E25-R28 PolarHBondContact O-N 3.28Å; E25-R28 VanDerWaalsContact OE1-CD 3.3Å; E25-R28 WeakPolarHBondContact OE1-CD 3.46Å; E25-R28 IonicContact OE1-NH1 3.48Å; E25-W37 PolarHBondContact OE2-NE1 2.7Å
26Q94.7Very high91.8Very high142 Ų14283 Ų8366%0.66442%0.417SS*.THydrogen-bonded Turntrans-63.3-21.9177.1-56.9178.912.300113.1F23 A24F23-Q26 WeakPolarHBondContact O-CB 3.42Å; F23-Q26 WeakPolarHBondContact O-CG 3.44Å; F23-Q26 PolarHBondContact O-N 3.15Å; A24-Q26 PolarHBondContact O-N 3.35Å
27F95.1Very high92.4Very high53 Ų5381.6 Ų81.623%0.23240%0.4CS..THydrogen-bonded Turntrans-94.70.7-178.2-54-64.8000113.7F23 A24 E25 S29 R40 L61 L65F23-F27 AromaticContact CD1-CE2 3.93Å; F23-F27 HydrophobicContact CD1-CE2 3.93Å; F23-F27 AromaticContact CE1-CE2 3.5Å; F23-F27 HydrophobicContact CE1-CE2 3.5Å; F23-F27 AromaticContact CE1-CZ 3.9Å; F23-F27 HydrophobicContact CE1-CZ 3.9Å; F23-F27 HydrophobicContact CE2-CE2 4.3Å; F23-F27 HydrophobicContact CE2-CZ 4.12Å; F23-F27 HydrophobicContact CG-CE2 4.5Å; F23-F27 AromaticContact CZ-CE2 3.72Å; F23-F27 HydrophobicContact CZ-CE2 3.72Å; F23-F27 AromaticContact CZ-CZ 3.61Å; F23-F27 HydrophobicContact CZ-CZ 3.61Å; F23-F27 WeakPolarHBondContact O-CE2 3.38Å; A24-F27 WeakPolarHBondContact O-CD2 3.38Å; A24-F27 PolarHBondContact O-N 3.27Å; E25-F27 PolarHBondContact O-N 3.45Å; F27-S29 PolarHBondContact O-N 3.07Å; F27-R40 PolarHBondContact O-NH2 3.33Å; F27-L61 HydrophobicContact CE1-CD2 4.44Å; F27-L61 HydrophobicContact CZ-CD2 3.95Å; F27-L65 HydrophobicContact CB-CD2 3.79Å; F27-L65 HydrophobicContact CD1-CD1 3.42Å; F27-L65 VanDerWaalsContact CD1-CD1 3.42Å; F27-L65 HydrophobicContact CD1-CD2 3.9Å; F27-L65 HydrophobicContact CD1-CG 4.31Å; F27-L65 HydrophobicContact CD2-CD2 3.9Å; F27-L65 HydrophobicContact CE1-CD1 3.66Å; F27-L65 HydrophobicContact CE1-CD2 4.5Å; F27-L65 HydrophobicContact CG-CD1 4.02Å; F27-L65 HydrophobicContact CG-CD2 3.56Å; F27-L65 HydrophobicContact CG-CG 4.45Å; F27-L65 HydrophobicContact CZ-CD1 4.44Å
28R97.1Very high92.9Very high69 Ų6984.4 Ų84.426%0.2641%0.405SS..  trans-64.6130.6178.7-173.1177.1-178.3168.1-1.4111.1E25 E34 W37E25-R28 WeakPolarHBondContact O-CB 3.19Å; E25-R28 PolarHBondContact O-N 3.28Å; E25-R28 VanDerWaalsContact OE1-CD 3.3Å; E25-R28 WeakPolarHBondContact OE1-CD 3.46Å; E25-R28 IonicContact OE1-NH1 3.48Å; R28-E34 IonicContact CZ-OE1 2.69Å; R28-E34 VanDerWaalsContact CZ-OE1 3.27Å; R28-E34 IonicContact CZ-OE2 3.68Å; R28-E34 IonicContact NH1-OE1 3.12Å; R28-E34 PolarHBondContact NH1-OE1 2.95Å; R28-E34 IonicContact NH1-OE2 3.01Å; R28-E34 PolarHBondContact NH1-OE2 2.94Å; R28-E34 IonicContact NH2-OE1 2.67Å; R28-E34 PolarHBondContact NH2-OE1 3.42Å; R28-E34 IonicContact NH2-OE2 3.27Å; R28-E34 PolarHBondContact NH2-OE2 2.92Å; R28-W37 HydrophobicContact CB-CD2 3.87Å; R28-W37 HydrophobicContact CB-CE3 4.03Å; R28-W37 HydrophobicContact CB-CG 4.48Å; R28-W37 HydrophobicContact CB-CH2 4.28Å; R28-W37 HydrophobicContact CB-CZ2 4.09Å; R28-W37 HydrophobicContact CB-CZ3 4.25Å; R28-W37 VanDerWaalsContact CD-CD1 3.48Å; R28-W37 HydrophobicContact CG-CB 4.37Å; R28-W37 HydrophobicContact CG-CD2 3.63Å; R28-W37 HydrophobicContact CG-CE3 3.99Å; R28-W37 HydrophobicContact CG-CG 3.77Å
29S94.2Very high93.3Very high50 Ų5076.2 Ų76.235%0.3538%0.376SS..  trans-88.1146.9174.8177.10000111.4F27 S31 E32F27-S29 PolarHBondContact O-N 3.07Å; S29-S31 PolarHBondContact O-N 3.07Å; S29-S31 PolarHBondContact OG-N 3.37Å; S29-S31 PolarHBondContact OG-OG 3.48Å; S29-S31 VanDerWaalsContact OG-OG 3.13Å; S29-E32 WeakPolarHBondContact CB-OE2 3.48Å; S29-E32 PolarHBondContact N-OE2 3.23Å; S29-E32 PolarHBondContact O-N 2.86Å; S29-E32 VanDerWaalsContact O-N 3.17Å
30Y95.1Very high93.7Very high242 Ų24270.6 Ų70.695%0.94935%0.349SS*.THydrogen-bonded Turntrans-58.2-29.5176-177.9-97.8000113.5E32Y30-E32 VanDerWaalsContact C-N 3.28Å; Y30-E32 PolarHBondContact O-N 3.4Å
31S92.6Very high94.2Very high91 Ų9171 Ų7164%0.63635%0.345SS*.THydrogen-bonded Turntrans-79.1-8.4-177.960.40000114S29S29-S31 PolarHBondContact O-N 3.07Å; S29-S31 PolarHBondContact OG-N 3.37Å; S29-S31 PolarHBondContact OG-OG 3.48Å; S29-S31 VanDerWaalsContact OG-OG 3.13Å
32E94.4Very high94.5Very high14 Ų1473 Ų737%0.06535%0.35CS..  trans-85.4127.4-174.3-69.6177.996.400112.1S29 Y30 Q36 W37 R40S29-E32 WeakPolarHBondContact CB-OE2 3.48Å; S29-E32 PolarHBondContact N-OE2 3.23Å; S29-E32 PolarHBondContact O-N 2.86Å; S29-E32 VanDerWaalsContact O-N 3.17Å; Y30-E32 VanDerWaalsContact C-N 3.28Å; Y30-E32 PolarHBondContact O-N 3.4Å; E32-Q36 HydrophobicContact CB-CB 4.35Å; E32-W37 HydrophobicContact CB-CB 4.32Å; E32-R40 IonicContact OE1-CZ 2.73Å; E32-R40 IonicContact OE1-NE 3.55Å; E32-R40 PolarHBondContact OE1-NE 2.81Å; E32-R40 IonicContact OE1-NH2 2.89Å; E32-R40 PolarHBondContact OE1-NH2 3.32Å; E32-R40 IonicContact OE2-CZ 3.08Å; E32-R40 IonicContact OE2-NE 3.5Å; E32-R40 PolarHBondContact OE2-NE 2.93Å; E32-R40 IonicContact OE2-NH2 3.88Å; E32-R40 PolarHBondContact OE2-NH2 3.45Å
33S93.1Very high94.8Very high57 Ų5768.3 Ų68.340%0.39933%0.325SS..  trans-65.1159.2162.466.10000111.1K35 Q36 W37S33-K35 PolarHBondContact O-N 3.04Å; S33-Q36 PolarHBondContact O-N 3.37Å; S33-Q36 WeakPolarHBondContact OG-CG 3.43Å; S33-Q36 PolarHBondContact OG-N 3.25Å; S33-Q36 PolarHBondContact OG-OE1 3.37Å; S33-Q36 VanDerWaalsContact OG-OE1 3.13Å; S33-W37 PolarHBondContact O-N 3.19Å
34E93.8Very high95Very high126 Ų12664.9 Ų64.959%0.58931%0.31SS*.Hα-helixtrans-54.3-38.4174.6-68-58.5144.800112.6R28 W37 K38R28-E34 IonicContact CZ-OE1 2.69Å; R28-E34 VanDerWaalsContact CZ-OE1 3.27Å; R28-E34 IonicContact CZ-OE2 3.68Å; R28-E34 IonicContact NH1-OE1 3.12Å; R28-E34 PolarHBondContact NH1-OE1 2.95Å; R28-E34 IonicContact NH1-OE2 3.01Å; R28-E34 PolarHBondContact NH1-OE2 2.94Å; R28-E34 IonicContact NH2-OE1 2.67Å; R28-E34 PolarHBondContact NH2-OE1 3.42Å; R28-E34 IonicContact NH2-OE2 3.27Å; R28-E34 PolarHBondContact NH2-OE2 2.92Å; E34-W37 PolarHBondContact O-N 2.87Å; E34-K38 VanDerWaalsContact O-CB 3.32Å; E34-K38 WeakPolarHBondContact O-CB 3.36Å; E34-K38 PolarHBondContact O-N 2.96Å
35K92.4Very high95.2Very high120 Ų12067.5 Ų67.552%0.52232%0.323SS..Hα-helixtrans-64.8-46.8179-69.6-170.7172.2-161.10111.7S33 A39 D100S33-K35 PolarHBondContact O-N 3.04Å; K35-A39 PolarHBondContact O-N 3.07Å; K35-D100 IonicContact NZ-OD2 3.18Å; K35-D100 PolarHBondContact NZ-OD2 3.32Å; K35-D100 VanDerWaalsContact NZ-OD2 3.12Å
36Q94.8Very high95.2Very high30 Ų3068.2 Ų68.214%0.1432%0.323CS..Hα-helixtrans-60.9-48.5175.9-78.5164.1-24.400111.1E32 S33 A39 R40 F76E32-Q36 HydrophobicContact CB-CB 4.35Å; S33-Q36 PolarHBondContact O-N 3.37Å; S33-Q36 WeakPolarHBondContact OG-CG 3.43Å; S33-Q36 PolarHBondContact OG-N 3.25Å; S33-Q36 PolarHBondContact OG-OE1 3.37Å; S33-Q36 VanDerWaalsContact OG-OE1 3.13Å; Q36-A39 PolarHBondContact O-N 3.44Å; Q36-R40 WeakPolarHBondContact O-CB 3.23Å; Q36-R40 PolarHBondContact O-N 3.41Å; Q36-F76 HydrophobicContact CB-CD2 4.3Å; Q36-F76 HydrophobicContact CB-CE2 4.39Å; Q36-F76 HydrophobicContact CB-CG 4.48Å; Q36-F76 HydrophobicContact CG-CB 3.65Å; Q36-F76 HydrophobicContact CG-CD1 3.66Å; Q36-F76 HydrophobicContact CG-CD2 3.62Å; Q36-F76 HydrophobicContact CG-CE1 4.12Å; Q36-F76 HydrophobicContact CG-CE2 4.09Å; Q36-F76 HydrophobicContact CG-CG 3.38Å; Q36-F76 HydrophobicContact CG-CZ 4.31Å
37W96.4Very high95.2Very high5 Ų562.7 Ų62.72%0.01930%0.297CS..Hα-helixtrans-62.9-45.7-177.7174.3-124.8000111.7A24 E25 R28 E32 S33 E34 A39 R40 M41 I44A24-W37 HydrophobicContact CB-CH2 4.49Å; A24-W37 WeakPolarHBondContact O-CH2 3.34Å; A24-W37 WeakPolarHBondContact O-CZ2 3.34Å; E25-W37 PolarHBondContact OE2-NE1 2.7Å; R28-W37 HydrophobicContact CB-CD2 3.87Å; R28-W37 HydrophobicContact CB-CE3 4.03Å; R28-W37 HydrophobicContact CB-CG 4.48Å; R28-W37 HydrophobicContact CB-CH2 4.28Å; R28-W37 HydrophobicContact CB-CZ2 4.09Å; R28-W37 HydrophobicContact CB-CZ3 4.25Å; R28-W37 VanDerWaalsContact CD-CD1 3.48Å; R28-W37 HydrophobicContact CG-CB 4.37Å; R28-W37 HydrophobicContact CG-CD2 3.63Å; R28-W37 HydrophobicContact CG-CE3 3.99Å; R28-W37 HydrophobicContact CG-CG 3.77Å; E32-W37 HydrophobicContact CB-CB 4.32Å; S33-W37 PolarHBondContact O-N 3.19Å; E34-W37 PolarHBondContact O-N 2.87Å; W37-A39 VanDerWaalsContact C-N 3.33Å; W37-A39 PolarHBondContact O-N 2.81Å; W37-R40 HydrophobicContact CE3-CB 4.44Å; W37-R40 VanDerWaalsContact CZ3-NH2 3.28Å; W37-R40 PolarHBondContact O-N 2.98Å; W37-M41 HydrophobicContact CD2-CB 4.24Å; W37-M41 HydrophobicContact CE3-CB 4.43Å; W37-M41 HydrophobicContact CH2-CB 3.9Å; W37-M41 HydrophobicContact CH2-CG 4.17Å; W37-M41 HydrophobicContact CZ2-CB 3.72Å; W37-M41 HydrophobicContact CZ2-CG 3.77Å; W37-M41 HydrophobicContact CZ2-SD 3.9Å; W37-M41 HydrophobicContact CZ3-CB 4.26Å; W37-M41 VanDerWaalsContact O-CB 3.23Å; W37-M41 WeakPolarHBondContact O-CB 3.26Å; W37-M41 PolarHBondContact O-N 2.94Å; W37-I44 HydrophobicContact CH2-CD1 4.26Å; W37-I44 HydrophobicContact CZ3-CD1 4.13Å
38K95.1Very high95Very high151 Ų15160.9 Ų60.966%0.65729%0.289SS*.Hα-helixtrans-56.3-46.9178.8-174.5-177176.1-169.60112E34 E42E34-K38 VanDerWaalsContact O-CB 3.32Å; E34-K38 WeakPolarHBondContact O-CB 3.36Å; E34-K38 PolarHBondContact O-N 2.96Å; K38-E42 PolarHBondContact O-N 3.06Å; K38-E42 VanDerWaalsContact O-N 3.15Å
39A96Very high94.7Very high7 Ų761.6 Ų61.66%0.05830%0.303CS..Hα-helixtrans-63.5-46.8177.600000111.5K35 Q36 W37 M41 E42 F43 W71 F76 V98K35-A39 PolarHBondContact O-N 3.07Å; Q36-A39 PolarHBondContact O-N 3.44Å; W37-A39 VanDerWaalsContact C-N 3.33Å; W37-A39 PolarHBondContact O-N 2.81Å; A39-M41 PolarHBondContact O-N 3.26Å; A39-E42 PolarHBondContact O-N 3.02Å; A39-F43 PolarHBondContact O-N 3.12Å; A39-F43 VanDerWaalsContact O-N 3.1Å; A39-W71 HydrophobicContact CB-CH2 4.06Å; A39-W71 HydrophobicContact CB-CZ3 4.12Å; A39-W71 WeakPolarHBondContact O-CZ3 3.37Å; A39-F76 HydrophobicContact CB-CE2 3.9Å; A39-F76 HydrophobicContact CB-CZ 3.86Å; A39-V98 HydrophobicContact CB-CG1 4.48Å; A39-V98 HydrophobicContact CB-CG2 3.75Å
40R97.1Very high94.5Very high6 Ų664.1 Ų64.12%0.02331%0.313CS..Hα-helixtrans-67.3-37.2-179.1-166.1173.369.495.6-7.3112.7F27 E32 Q36 W37 E42 F43 I44 S68 M69 A72F27-R40 PolarHBondContact O-NH2 3.33Å; E32-R40 IonicContact OE1-CZ 2.73Å; E32-R40 IonicContact OE1-NE 3.55Å; E32-R40 PolarHBondContact OE1-NE 2.81Å; E32-R40 IonicContact OE1-NH2 2.89Å; E32-R40 PolarHBondContact OE1-NH2 3.32Å; E32-R40 IonicContact OE2-CZ 3.08Å; E32-R40 IonicContact OE2-NE 3.5Å; E32-R40 PolarHBondContact OE2-NE 2.93Å; E32-R40 IonicContact OE2-NH2 3.88Å; E32-R40 PolarHBondContact OE2-NH2 3.45Å; Q36-R40 WeakPolarHBondContact O-CB 3.23Å; Q36-R40 PolarHBondContact O-N 3.41Å; W37-R40 HydrophobicContact CE3-CB 4.44Å; W37-R40 VanDerWaalsContact CZ3-NH2 3.28Å; W37-R40 PolarHBondContact O-N 2.98Å; R40-E42 VanDerWaalsContact C-N 3.34Å; R40-F43 WeakPolarHBondContact O-CB 3.3Å; R40-F43 PolarHBondContact O-N 2.97Å; R40-I44 HydrophobicContact CG-CD1 4.29Å; R40-I44 WeakPolarHBondContact O-CG1 3.34Å; R40-I44 PolarHBondContact O-N 2.94Å; R40-S68 PolarHBondContact NH1-OG 2.98Å; R40-M69 WeakPolarHBondContact CD-SD 3.41Å; R40-M69 PolarHBondContact NE-SD 2.69Å; R40-A72 HydrophobicContact CB-CB 4.38Å; R40-A72 HydrophobicContact CG-CB 4.37Å
41M97Very high94.4Very high43 Ų4354.1 Ų54.121%0.21227%0.273CS..Hα-helixtrans-61.4-44175.1-176179.363.700110.8A24 W37 A39 F43 I44 L45A24-M41 HydrophobicContact CB-CG 3.89Å; W37-M41 HydrophobicContact CD2-CB 4.24Å; W37-M41 HydrophobicContact CE3-CB 4.43Å; W37-M41 HydrophobicContact CH2-CB 3.9Å; W37-M41 HydrophobicContact CH2-CG 4.17Å; W37-M41 HydrophobicContact CZ2-CB 3.72Å; W37-M41 HydrophobicContact CZ2-CG 3.77Å; W37-M41 HydrophobicContact CZ2-SD 3.9Å; W37-M41 HydrophobicContact CZ3-CB 4.26Å; W37-M41 VanDerWaalsContact O-CB 3.23Å; W37-M41 WeakPolarHBondContact O-CB 3.26Å; W37-M41 PolarHBondContact O-N 2.94Å; A39-M41 PolarHBondContact O-N 3.26Å; M41-F43 VanDerWaalsContact C-N 3.33Å; M41-F43 PolarHBondContact O-N 3.29Å; M41-I44 PolarHBondContact O-N 3.29Å; M41-L45 HydrophobicContact CG-CD1 3.98Å; M41-L45 HydrophobicContact CG-CG 4.34Å; M41-L45 WeakPolarHBondContact O-CB 3.45Å; M41-L45 VanDerWaalsContact O-CG 3.32Å; M41-L45 WeakPolarHBondContact O-CG 3.31Å; M41-L45 PolarHBondContact O-N 3.3Å
42E96.3Very high94Very high71 Ų7158.2 Ų58.233%0.33228%0.275SS..Hα-helixtrans-61.1-43.3175.1-176.7170.6172.200111.8K38 A39 R40 I44 L45 R46 I96K38-E42 PolarHBondContact O-N 3.06Å; K38-E42 VanDerWaalsContact O-N 3.15Å; A39-E42 PolarHBondContact O-N 3.02Å; R40-E42 VanDerWaalsContact C-N 3.34Å; E42-I44 VanDerWaalsContact C-N 3.33Å; E42-I44 PolarHBondContact O-N 3.32Å; E42-L45 PolarHBondContact O-N 2.8Å; E42-R46 WeakPolarHBondContact O-CB 3.35Å; E42-R46 PolarHBondContact O-N 3.02Å; E42-R46 IonicContact OE1-CZ 2.73Å; E42-R46 IonicContact OE1-NH2 3.49Å; E42-R46 PolarHBondContact OE1-NH2 2.74Å; E42-I96 HydrophobicContact CB-CG2 4.42Å; E42-I96 HydrophobicContact CG-CG1 4.36Å; E42-I96 HydrophobicContact CG-CG2 4.23Å
43F97.4Very high93.3Very high0 Ų060.8 Ų60.80%029%0.289CS..Hα-helixtrans-56.2-48.2173.5-172-71.3000111.2A39 R40 M41 H47 L64 W71 M92 A93 I96A39-F43 PolarHBondContact O-N 3.12Å; A39-F43 VanDerWaalsContact O-N 3.1Å; R40-F43 WeakPolarHBondContact O-CB 3.3Å; R40-F43 PolarHBondContact O-N 2.97Å; M41-F43 VanDerWaalsContact C-N 3.33Å; M41-F43 PolarHBondContact O-N 3.29Å; F43-H47 AromaticContact CE1-CD2 3.92Å; F43-H47 PolarHBondContact O-CD2 3.21Å; F43-H47 PolarHBondContact O-N 2.76Å; F43-L64 HydrophobicContact CD1-CD1 4.22Å; F43-L64 HydrophobicContact CE1-CD1 3.92Å; F43-W71 HydrophobicContact CB-CE3 3.95Å; F43-W71 HydrophobicContact CB-CZ3 3.8Å; F43-W71 HydrophobicContact CD2-CB 4.43Å; F43-W71 AromaticContact CD2-CD2 3.68Å; F43-W71 HydrophobicContact CD2-CD2 3.68Å; F43-W71 AromaticContact CD2-CE3 3.45Å; F43-W71 HydrophobicContact CD2-CE3 3.45Å; F43-W71 VanDerWaalsContact CD2-CE3 3.45Å; F43-W71 HydrophobicContact CD2-CG 4.11Å; F43-W71 AromaticContact CD2-CZ3 3.93Å; F43-W71 HydrophobicContact CD2-CZ3 3.93Å; F43-W71 HydrophobicContact CE2-CB 4.11Å; F43-W71 HydrophobicContact CE2-CD2 4.06Å; F43-W71 HydrophobicContact CE2-CE3 4.23Å; F43-W71 HydrophobicContact CE2-CG 4Å; F43-W71 AromaticContact CG-CE3 3.95Å; F43-W71 HydrophobicContact CG-CE3 3.95Å; F43-W71 HydrophobicContact CG-CZ3 4.27Å; F43-M92 HydrophobicContact CE1-CE 3.84Å; F43-M92 HydrophobicContact CE2-CB 3.82Å; F43-M92 HydrophobicContact CZ-CB 3.6Å; F43-M92 HydrophobicContact CZ-CE 3.79Å; F43-M92 HydrophobicContact CZ-CG 4.47Å; F43-M92 HydrophobicContact CZ-SD 4.15Å; F43-A93 HydrophobicContact CD2-CB 4Å; F43-A93 HydrophobicContact CE2-CB 3.95Å; F43-I96 HydrophobicContact CB-CD1 3.78Å; F43-I96 HydrophobicContact CD2-CD1 3.92Å; F43-I96 HydrophobicContact CG-CD1 4.21Å
44I96.5Very high92.5Very high0 Ų060.6 Ų60.60%029%0.287CS..Hα-helixtrans-61.3-52179.1-67.8162.9000110.4W37 R40 M41 E42 R46 H47 L48 L64 L65W37-I44 HydrophobicContact CH2-CD1 4.26Å; W37-I44 HydrophobicContact CZ3-CD1 4.13Å; R40-I44 HydrophobicContact CG-CD1 4.29Å; R40-I44 WeakPolarHBondContact O-CG1 3.34Å; R40-I44 PolarHBondContact O-N 2.94Å; M41-I44 PolarHBondContact O-N 3.29Å; E42-I44 VanDerWaalsContact C-N 3.33Å; E42-I44 PolarHBondContact O-N 3.32Å; I44-R46 VanDerWaalsContact C-N 3.3Å; I44-R46 PolarHBondContact O-N 3.44Å; I44-H47 PolarHBondContact O-N 3.42Å; I44-L48 VanDerWaalsContact O-CB 3.32Å; I44-L48 WeakPolarHBondContact O-CB 3.5Å; I44-L48 PolarHBondContact O-N 3.24Å; I44-L64 HydrophobicContact CG2-CD2 4.3Å; I44-L65 HydrophobicContact CD1-CD2 3.9Å; I44-L65 HydrophobicContact CG1-CD2 4.31Å
45L94.5Very high91.5Very high55 Ų5561.6 Ų61.629%0.28830%0.304SS..Hα-helixtrans-61.5-37.2-175-71.1174.9000112.8A20 A24 M41 E42 H47A20-L45 HydrophobicContact CB-CD2 3.69Å; A20-L45 WeakPolarHBondContact O-CD2 3.26Å; A24-L45 HydrophobicContact CB-CD2 3.99Å; A24-L45 HydrophobicContact CB-CG 4.29Å; M41-L45 HydrophobicContact CG-CD1 3.98Å; M41-L45 HydrophobicContact CG-CG 4.34Å; M41-L45 WeakPolarHBondContact O-CB 3.45Å; M41-L45 VanDerWaalsContact O-CG 3.32Å; M41-L45 WeakPolarHBondContact O-CG 3.31Å; M41-L45 PolarHBondContact O-N 3.3Å; E42-L45 PolarHBondContact O-N 2.8Å; L45-H47 VanDerWaalsContact C-N 3.33Å; L45-H47 PolarHBondContact O-N 3.35Å
46R94.9Very high90.6Very high101 Ų10162.5 Ų62.538%0.38131%0.314SS..Hα-helixtrans-63.9-37.5178.5-172.7171-67.9-173.42.2112.6E42 I44 D94 G95E42-R46 WeakPolarHBondContact O-CB 3.35Å; E42-R46 PolarHBondContact O-N 3.02Å; E42-R46 IonicContact OE1-CZ 2.73Å; E42-R46 IonicContact OE1-NH2 3.49Å; E42-R46 PolarHBondContact OE1-NH2 2.74Å; I44-R46 VanDerWaalsContact C-N 3.3Å; I44-R46 PolarHBondContact O-N 3.44Å; R46-D94 PolarHBondContact NH1-O 3.31Å; R46-G95 PolarHBondContact NH1-O 3.29Å; R46-G95 PolarHBondContact NH2-O 3.21Å
47H95.3Very high89.4Confident26 Ų2663.5 Ų63.512%0.1233%0.333CS..Hα-helixtrans-100.2-11.6-176.1-67.8-68.6000113.8F43 I44 L45 P49 D50 Y51 L64 M92F43-H47 AromaticContact CE1-CD2 3.92Å; F43-H47 PolarHBondContact O-CD2 3.21Å; F43-H47 PolarHBondContact O-N 2.76Å; I44-H47 PolarHBondContact O-N 3.42Å; L45-H47 VanDerWaalsContact C-N 3.33Å; L45-H47 PolarHBondContact O-N 3.35Å; H47-P49 VanDerWaalsContact C-N 3.31Å; H47-D50 PolarHBondContact O-N 3.37Å; H47-Y51 HydrophobicContact CB-CD2 4.01Å; H47-Y51 HydrophobicContact CB-CE2 4.18Å; H47-Y51 WeakPolarHBondContact O-CD2 3.37Å; H47-Y51 PolarHBondContact O-N 3.18Å; H47-L64 HydrophobicContact CB-CD1 3.56Å; H47-L64 HydrophobicContact CB-CD2 4.17Å; H47-M92 HydrophobicContact CB-CE 4.36Å; H47-M92 PolarHBondContact CE1-O 3.25Å; H47-M92 PolarHBondContact NE2-O 3Å
48L91.8Very high88.2Confident14 Ų1465.6 Ų65.67%0.07336%0.356CS..G310 helixtrans-51.7-41-176.3-171.265.3000113.8F23 I44 D50 Y51 R52 L61 L64F23-L48 HydrophobicContact CD1-CD2 3.86Å; F23-L48 HydrophobicContact CE1-CD1 3.89Å; F23-L48 HydrophobicContact CE1-CD2 4.01Å; I44-L48 VanDerWaalsContact O-CB 3.32Å; I44-L48 WeakPolarHBondContact O-CB 3.5Å; I44-L48 PolarHBondContact O-N 3.24Å; L48-D50 VanDerWaalsContact C-N 3.27Å; L48-D50 PolarHBondContact O-N 3.01Å; L48-Y51 PolarHBondContact O-N 2.84Å; L48-R52 WeakPolarHBondContact O-CG 3.2Å; L48-R52 PolarHBondContact O-N 2.9Å; L48-L61 HydrophobicContact CD1-CD1 3.82Å; L48-L64 HydrophobicContact CD1-CD2 4.36Å
49P90.1Very high87.6Confident84 Ų8460 Ų6055%0.54534%0.342SS..G310 helixtrans-58-36.6177.8-25.536.3000114H47H47-P49 VanDerWaalsContact C-N 3.31Å
50D90.8Very high87.4Confident104 Ų10465.2 Ų65.256%0.55636%0.36SS*.G310 helixtrans-84.5-16.2-176.8-62.5-38.5000113H47 L48 R60H47-D50 PolarHBondContact O-N 3.37Å; L48-D50 VanDerWaalsContact C-N 3.27Å; L48-D50 PolarHBondContact O-N 3.01Å; D50-R60 PolarHBondContact O-NE 3.35Å; D50-R60 PolarHBondContact O-NH2 3.47Å
51Y91.4Very high87.2Confident31 Ų3166.3 Ų66.312%0.12237%0.366CS..G310 helixtrans-113.514-177.3-73.4-96.2000113.2H47 L48 D53 R60 L61 Q63 L64 L67 M92H47-Y51 HydrophobicContact CB-CD2 4.01Å; H47-Y51 HydrophobicContact CB-CE2 4.18Å; H47-Y51 WeakPolarHBondContact O-CD2 3.37Å; H47-Y51 PolarHBondContact O-N 3.18Å; L48-Y51 PolarHBondContact O-N 2.84Å; Y51-D53 PolarHBondContact O-N 2.69Å; Y51-R60 HydrophobicContact CD1-CB 4.29Å; Y51-R60 VanDerWaalsContact CD1-O 3.26Å; Y51-R60 WeakPolarHBondContact CD1-O 3.41Å; Y51-R60 CarbonylContact O-C 3.46Å; Y51-R60 VanDerWaalsContact O-CB 3.31Å; Y51-R60 WeakPolarHBondContact O-CB 3.49Å; Y51-L61 PolarHBondContact O-N 3.05Å; Y51-Q63 HydrophobicContact CE1-CG 4.38Å; Y51-L64 HydrophobicContact CD1-CB 3.84Å; Y51-L64 HydrophobicContact CD2-CB 4.35Å; Y51-L64 HydrophobicContact CD2-CD1 4.27Å; Y51-L64 HydrophobicContact CD2-CD2 4.42Å; Y51-L64 HydrophobicContact CE1-CB 4.46Å; Y51-L64 HydrophobicContact CE2-CD1 4.49Å; Y51-L64 HydrophobicContact CG-CB 3.75Å; Y51-L64 HydrophobicContact CG-CD2 4.28Å; Y51-L64 HydrophobicContact CG-CG 4.39Å; Y51-L67 HydrophobicContact CE1-CD1 4.41Å; Y51-M92 HydrophobicContact CE2-CE 3.96Å
52R84.1Confident87Confident178 Ų17869.2 Ų69.267%0.67238%0.382SS*.PPolyproline II helixtrans-59.7131.4168.4-75.8-174.4177.4167.3-0.4109.9L48L48-R52 WeakPolarHBondContact O-CG 3.2Å; L48-R52 PolarHBondContact O-N 2.9Å
53D79.9Confident87Confident67 Ų6770.4 Ų70.436%0.35839%0.388SS..PPolyproline II helixtrans-64.7136.1176-75.7-52000110.2Y51 G58 G59 R60 L61Y51-D53 PolarHBondContact O-N 2.69Å; D53-G58 PolarHBondContact OD1-N 2.73Å; D53-G59 PolarHBondContact OD1-N 3.44Å; D53-R60 PolarHBondContact OD1-N 2.94Å; D53-L61 WeakPolarHBondContact OD2-CB 3.33Å
54P77.1Confident86.9Confident54 Ų5470.4 Ų70.435%0.35139%0.388SS..PPolyproline II helixtrans-67162.7170.530.5-34.1000110.4D56 G57P54-D56 WeakPolarHBondContact CB-OD1 3.26Å; P54-D56 VanDerWaalsContact CG-OD1 3.23Å; P54-D56 WeakPolarHBondContact CG-OD1 3.3Å; P54-D56 PolarHBondContact O-N 3.28Å; P54-G57 PolarHBondContact O-N 3.26Å
55P73Confident86.9Confident146 Ų14671.8 Ų71.895%0.94840%0.395SS*.THydrogen-bonded Turntrans-59.5-21.3-172.8-23.433.2000115.2
56D73.5Confident87.1Confident139 Ų13972.7 Ų72.774%0.74341%0.406SS*.THydrogen-bonded Turntrans-87.6-2.5176.752.4-14.4000113.7P54P54-D56 WeakPolarHBondContact CB-OD1 3.26Å; P54-D56 VanDerWaalsContact CG-OD1 3.23Å; P54-D56 WeakPolarHBondContact CG-OD1 3.3Å; P54-D56 PolarHBondContact O-N 3.28Å
57G68.8Low87.2Confident52 Ų5268.4 Ų68.454%0.53639%0.391SS..  trans78.8138.4-175.900000111.9P54P54-G57 PolarHBondContact O-N 3.26Å
58G71.3Confident87.3Confident49 Ų4967.2 Ų67.251%0.50539%0.385SS..  trans-145.9-5-17400000116.5D53 R60D53-G58 PolarHBondContact OD1-N 2.73Å; G58-R60 PolarHBondContact O-N 3.49Å
59G83.6Confident87.6Confident34 Ų3468.9 Ų68.935%0.35139%0.393SS..SBendtrans59.217-175.900000113.4D53 L61 D62 Q63D53-G59 PolarHBondContact OD1-N 3.44Å; G59-L61 VanDerWaalsContact C-N 3.33Å; G59-D62 PolarHBondContact O-N 3.13Å; G59-Q63 WeakPolarHBondContact O-CB 3.43Å; G59-Q63 PolarHBondContact O-N 2.89Å
60R90.9Very high88Confident116 Ų11665.9 Ų65.944%0.43837%0.373SS..Hα-helixtrans-68.3-39.7179.8-67.8-176.772.8122.9-1.5109.4D50 Y51 D53 G58 Q63 L64D50-R60 PolarHBondContact O-NE 3.35Å; D50-R60 PolarHBondContact O-NH2 3.47Å; Y51-R60 HydrophobicContact CD1-CB 4.29Å; Y51-R60 VanDerWaalsContact CD1-O 3.26Å; Y51-R60 WeakPolarHBondContact CD1-O 3.41Å; Y51-R60 CarbonylContact O-C 3.46Å; Y51-R60 VanDerWaalsContact O-CB 3.31Å; Y51-R60 WeakPolarHBondContact O-CB 3.49Å; D53-R60 PolarHBondContact OD1-N 2.94Å; G58-R60 PolarHBondContact O-N 3.49Å; R60-Q63 WeakPolarHBondContact O-CB 3.37Å; R60-Q63 PolarHBondContact O-N 3.06Å; R60-L64 PolarHBondContact O-N 2.81Å
61L92.3Very high88.3Confident28 Ų2861.2 Ų61.215%0.14735%0.347CS..Hα-helixtrans-61.6-47.2175.1-178.458.9000111F23 F27 L48 Y51 D53 G59 Q63 L64 L65F23-L61 HydrophobicContact CZ-CD2 4.04Å; F27-L61 HydrophobicContact CE1-CD2 4.44Å; F27-L61 HydrophobicContact CZ-CD2 3.95Å; L48-L61 HydrophobicContact CD1-CD1 3.82Å; Y51-L61 PolarHBondContact O-N 3.05Å; D53-L61 WeakPolarHBondContact OD2-CB 3.33Å; G59-L61 VanDerWaalsContact C-N 3.33Å; L61-Q63 VanDerWaalsContact C-N 3.27Å; L61-Q63 PolarHBondContact O-N 3.01Å; L61-L64 WeakPolarHBondContact O-CB 3.42Å; L61-L64 PolarHBondContact O-N 3.47Å; L61-L65 HydrophobicContact CD1-CG 4.4Å; L61-L65 HydrophobicContact CG-CD1 4.31Å; L61-L65 HydrophobicContact CG-CG 4.5Å; L61-L65 WeakPolarHBondContact O-CG 3.43Å; L61-L65 PolarHBondContact O-N 2.93Å
62D93.7Very high88.6Confident105 Ų10559.9 Ų59.956%0.56134%0.343SS*.Hα-helixtrans-60.5-37.6177.6-68-27000112.4G59 L65 S66G59-D62 PolarHBondContact O-N 3.13Å; D62-L65 PolarHBondContact O-N 3.19Å; D62-S66 WeakPolarHBondContact O-CB 3.17Å; D62-S66 PolarHBondContact O-N 3.32Å; D62-S66 PolarHBondContact O-OG 3.27Å
63Q95.6Very high89.1Confident96 Ų9653.2 Ų53.245%0.44932%0.321SS..Hα-helixtrans-62.8-45.6173.5-174.1179.737.900111.4Y51 G59 R60 L61 S66 L67Y51-Q63 HydrophobicContact CE1-CG 4.38Å; G59-Q63 WeakPolarHBondContact O-CB 3.43Å; G59-Q63 PolarHBondContact O-N 2.89Å; R60-Q63 WeakPolarHBondContact O-CB 3.37Å; R60-Q63 PolarHBondContact O-N 3.06Å; L61-Q63 VanDerWaalsContact C-N 3.27Å; L61-Q63 PolarHBondContact O-N 3.01Å; Q63-S66 PolarHBondContact O-N 3.36Å; Q63-L67 HydrophobicContact CG-CD1 4.02Å; Q63-L67 VanDerWaalsContact O-CG 3.3Å; Q63-L67 WeakPolarHBondContact O-CG 3.37Å; Q63-L67 PolarHBondContact O-N 3.43Å
64L96.9Very high89.9Confident0 Ų052.9 Ų52.90%032%0.317CS..Hα-helixtrans-60.1-47.3175.9173.459.5000111.2F43 I44 H47 L48 Y51 R60 L61 S66 L67 S68 M92F43-L64 HydrophobicContact CD1-CD1 4.22Å; F43-L64 HydrophobicContact CE1-CD1 3.92Å; I44-L64 HydrophobicContact CG2-CD2 4.3Å; H47-L64 HydrophobicContact CB-CD1 3.56Å; H47-L64 HydrophobicContact CB-CD2 4.17Å; L48-L64 HydrophobicContact CD1-CD2 4.36Å; Y51-L64 HydrophobicContact CD1-CB 3.84Å; Y51-L64 HydrophobicContact CD2-CB 4.35Å; Y51-L64 HydrophobicContact CD2-CD1 4.27Å; Y51-L64 HydrophobicContact CD2-CD2 4.42Å; Y51-L64 HydrophobicContact CE1-CB 4.46Å; Y51-L64 HydrophobicContact CE2-CD1 4.49Å; Y51-L64 HydrophobicContact CG-CB 3.75Å; Y51-L64 HydrophobicContact CG-CD2 4.28Å; Y51-L64 HydrophobicContact CG-CG 4.39Å; R60-L64 PolarHBondContact O-N 2.81Å; L61-L64 WeakPolarHBondContact O-CB 3.42Å; L61-L64 PolarHBondContact O-N 3.47Å; L64-S66 VanDerWaalsContact C-N 3.28Å; L64-S66 PolarHBondContact O-N 2.89Å; L64-L67 PolarHBondContact O-N 3.21Å; L64-S68 WeakPolarHBondContact O-CB 3.42Å; L64-S68 PolarHBondContact O-N 3.5Å; L64-M92 HydrophobicContact CD1-CE 4.32Å
65L96.6Very high90.6Very high28 Ų2851.6 Ų51.615%0.14731%0.307CS..Hα-helixtrans-59.9-41.8178.9-64.9176.6000111.1F27 I44 L61 D62 S68 M69F27-L65 HydrophobicContact CB-CD2 3.79Å; F27-L65 HydrophobicContact CD1-CD1 3.42Å; F27-L65 VanDerWaalsContact CD1-CD1 3.42Å; F27-L65 HydrophobicContact CD1-CD2 3.9Å; F27-L65 HydrophobicContact CD1-CG 4.31Å; F27-L65 HydrophobicContact CD2-CD2 3.9Å; F27-L65 HydrophobicContact CE1-CD1 3.66Å; F27-L65 HydrophobicContact CE1-CD2 4.5Å; F27-L65 HydrophobicContact CG-CD1 4.02Å; F27-L65 HydrophobicContact CG-CD2 3.56Å; F27-L65 HydrophobicContact CG-CG 4.45Å; F27-L65 HydrophobicContact CZ-CD1 4.44Å; I44-L65 HydrophobicContact CD1-CD2 3.9Å; I44-L65 HydrophobicContact CG1-CD2 4.31Å; L61-L65 HydrophobicContact CD1-CG 4.4Å; L61-L65 HydrophobicContact CG-CD1 4.31Å; L61-L65 HydrophobicContact CG-CG 4.5Å; L61-L65 WeakPolarHBondContact O-CG 3.43Å; L61-L65 PolarHBondContact O-N 2.93Å; D62-L65 PolarHBondContact O-N 3.19Å; L65-S68 PolarHBondContact O-N 2.75Å; L65-S68 PolarHBondContact O-OG 3.34Å; L65-M69 PolarHBondContact O-N 3.39Å
66S97.2Very high91.6Very high74 Ų7445.7 Ų45.752%0.51727%0.267SS..Hα-helixtrans-63.5-45.9176.3-60.20000112.4D62 Q63 L64 S68 M69 V70D62-S66 WeakPolarHBondContact O-CB 3.17Å; D62-S66 PolarHBondContact O-N 3.32Å; D62-S66 PolarHBondContact O-OG 3.27Å; Q63-S66 PolarHBondContact O-N 3.36Å; L64-S66 VanDerWaalsContact C-N 3.28Å; L64-S66 PolarHBondContact O-N 2.89Å; S66-S68 VanDerWaalsContact C-N 3.33Å; S66-S68 PolarHBondContact O-N 3.18Å; S66-M69 PolarHBondContact O-N 3.32Å; S66-V70 WeakPolarHBondContact O-CG2 3.25Å; S66-V70 PolarHBondContact O-N 3.47Å
67L98.3Very high92.5Very high12 Ų1243.7 Ų43.76%0.06326%0.255CS..Hα-helixtrans-62.7-40.8176.5-70165.8000111.3Y51 Q63 L64 M69 V70 W71 L85 K88 V89 M92Y51-L67 HydrophobicContact CE1-CD1 4.41Å; Q63-L67 HydrophobicContact CG-CD1 4.02Å; Q63-L67 VanDerWaalsContact O-CG 3.3Å; Q63-L67 WeakPolarHBondContact O-CG 3.37Å; Q63-L67 PolarHBondContact O-N 3.43Å; L64-L67 PolarHBondContact O-N 3.21Å; L67-M69 VanDerWaalsContact C-N 3.3Å; L67-M69 PolarHBondContact O-N 3.1Å; L67-V70 PolarHBondContact O-N 3.15Å; L67-W71 PolarHBondContact O-N 3.33Å; L67-L85 HydrophobicContact CD2-CD1 3.83Å; L67-K88 HydrophobicContact CD2-CD 4.48Å; L67-V89 HydrophobicContact CB-CG1 4.27Å; L67-V89 HydrophobicContact CD2-CG1 3.72Å; L67-M92 HydrophobicContact CD1-CE 4.25Å; L67-M92 HydrophobicContact CD1-SD 3.98Å
68S97.8Very high93.6Very high0 Ų042.6 Ų42.60%024%0.244CC..Hα-helixtrans-61.3-38.4176.782.30000111.9R40 L64 L65 S66 A72R40-S68 PolarHBondContact NH1-OG 2.98Å; L64-S68 WeakPolarHBondContact O-CB 3.42Å; L64-S68 PolarHBondContact O-N 3.5Å; L65-S68 PolarHBondContact O-N 2.75Å; L65-S68 PolarHBondContact O-OG 3.34Å; S66-S68 VanDerWaalsContact C-N 3.33Å; S66-S68 PolarHBondContact O-N 3.18Å; S68-A72 WeakPolarHBondContact O-CB 3.39Å; S68-A72 PolarHBondContact O-N 3.13Å
69M97.7Very high94.6Very high50 Ų5042.4 Ų42.425%0.24623%0.234CC..Hα-helixtrans-70.6-40.3174.8-77-44.6-51.200112.9R40 L65 S66 L67 W71 A72 N73R40-M69 WeakPolarHBondContact CD-SD 3.41Å; R40-M69 PolarHBondContact NE-SD 2.69Å; L65-M69 PolarHBondContact O-N 3.39Å; S66-M69 PolarHBondContact O-N 3.32Å; L67-M69 VanDerWaalsContact C-N 3.3Å; L67-M69 PolarHBondContact O-N 3.1Å; M69-W71 VanDerWaalsContact C-N 3.28Å; M69-W71 PolarHBondContact O-N 2.91Å; M69-A72 PolarHBondContact O-N 3.17Å; M69-N73 WeakPolarHBondContact CE-OD1 3.32Å; M69-N73 WeakPolarHBondContact O-CB 3.32Å; M69-N73 PolarHBondContact O-N 2.74Å; M69-N73 PolarHBondContact O-ND2 3.2Å
70V98.1Very high95Very high20 Ų2045.9 Ų45.912%0.12125%0.253CS..Hα-helixtrans-57.6-46.9176.5168.40000110.2S66 L67 H74 Y81 L85 V89S66-V70 WeakPolarHBondContact O-CG2 3.25Å; S66-V70 PolarHBondContact O-N 3.47Å; L67-V70 PolarHBondContact O-N 3.15Å; V70-H74 WeakPolarHBondContact O-CB 3.34Å; V70-H74 PolarHBondContact O-N 3.48Å; V70-Y81 HydrophobicContact CB-CE2 4.43Å; V70-Y81 HydrophobicContact CG1-CD1 4.35Å; V70-Y81 HydrophobicContact CG1-CD2 3.73Å; V70-Y81 HydrophobicContact CG1-CE1 4.4Å; V70-Y81 HydrophobicContact CG1-CE2 3.79Å; V70-Y81 HydrophobicContact CG1-CG 4.02Å; V70-Y81 HydrophobicContact CG2-CE1 4.19Å; V70-L85 HydrophobicContact CG1-CD2 4.01Å; V70-L85 HydrophobicContact CG1-CG 4.02Å; V70-L85 HydrophobicContact CG2-CD2 4.32Å; V70-V89 HydrophobicContact CB-CG1 4.44Å; V70-V89 HydrophobicContact CG1-CG1 4.17Å; V70-V89 HydrophobicContact CG1-CG2 4.21Å
71W97.7Very high95.3Very high6 Ų644.2 Ų44.22%0.02325%0.247CC..Hα-helixtrans-61.4-52.2176.6-179.264.8000112.1A39 F43 L67 M69 N73 H74 L75 V89 A93 I96 V98A39-W71 HydrophobicContact CB-CH2 4.06Å; A39-W71 HydrophobicContact CB-CZ3 4.12Å; A39-W71 WeakPolarHBondContact O-CZ3 3.37Å; F43-W71 HydrophobicContact CB-CE3 3.95Å; F43-W71 HydrophobicContact CB-CZ3 3.8Å; F43-W71 HydrophobicContact CD2-CB 4.43Å; F43-W71 AromaticContact CD2-CD2 3.68Å; F43-W71 HydrophobicContact CD2-CD2 3.68Å; F43-W71 AromaticContact CD2-CE3 3.45Å; F43-W71 HydrophobicContact CD2-CE3 3.45Å; F43-W71 VanDerWaalsContact CD2-CE3 3.45Å; F43-W71 HydrophobicContact CD2-CG 4.11Å; F43-W71 AromaticContact CD2-CZ3 3.93Å; F43-W71 HydrophobicContact CD2-CZ3 3.93Å; F43-W71 HydrophobicContact CE2-CB 4.11Å; F43-W71 HydrophobicContact CE2-CD2 4.06Å; F43-W71 HydrophobicContact CE2-CE3 4.23Å; F43-W71 HydrophobicContact CE2-CG 4Å; F43-W71 AromaticContact CG-CE3 3.95Å; F43-W71 HydrophobicContact CG-CE3 3.95Å; F43-W71 HydrophobicContact CG-CZ3 4.27Å; L67-W71 PolarHBondContact O-N 3.33Å; M69-W71 VanDerWaalsContact C-N 3.28Å; M69-W71 PolarHBondContact O-N 2.91Å; W71-N73 VanDerWaalsContact C-N 3.34Å; W71-N73 PolarHBondContact O-N 3.47Å; W71-H74 PolarHBondContact O-N 3.46Å; W71-L75 HydrophobicContact CH2-CD2 4.15Å; W71-L75 HydrophobicContact CZ2-CD2 3.67Å; W71-L75 VanDerWaalsContact O-CB 3.26Å; W71-L75 WeakPolarHBondContact O-CB 3.39Å; W71-L75 PolarHBondContact O-N 2.76Å; W71-V89 HydrophobicContact CB-CB 4.07Å; W71-V89 HydrophobicContact CB-CG2 4.17Å; W71-A93 HydrophobicContact CD2-CB 4.03Å; W71-A93 HydrophobicContact CG-CB 4.3Å; W71-A93 HydrophobicContact CZ2-CB 3.64Å; W71-I96 HydrophobicContact CH2-CB 4.24Å; W71-I96 HydrophobicContact CH2-CD1 4.24Å; W71-I96 HydrophobicContact CH2-CG2 3.72Å; W71-I96 HydrophobicContact CZ2-CB 4.44Å; W71-I96 HydrophobicContact CZ2-CG2 4.34Å; W71-V98 HydrophobicContact CH2-CG2 4.03Å; W71-V98 HydrophobicContact CZ2-CG2 4.29Å
72A96.4Very high95.5Very high4 Ų447.7 Ų47.73%0.03327%0.266CS..Hα-helixtrans-61-40.5179.700000112.6R40 S68 M69 L75 F76R40-A72 HydrophobicContact CB-CB 4.38Å; R40-A72 HydrophobicContact CG-CB 4.37Å; S68-A72 WeakPolarHBondContact O-CB 3.39Å; S68-A72 PolarHBondContact O-N 3.13Å; M69-A72 PolarHBondContact O-N 3.17Å; A72-L75 PolarHBondContact O-N 3.2Å; A72-F76 HydrophobicContact CB-CD2 4.39Å; A72-F76 WeakPolarHBondContact O-CB 3.44Å; A72-F76 VanDerWaalsContact O-CD2 3.32Å; A72-F76 WeakPolarHBondContact O-CD2 3.46Å; A72-F76 PolarHBondContact O-N 3.17Å
73N95.9Very high95.6Very high38 Ų3849.3 Ų49.320%0.20327%0.268CS..Hα-helixtrans-68.4-39.8178.1-70.7-15.4000111.8M69 W71 L75 L77 G78 C79M69-N73 WeakPolarHBondContact CE-OD1 3.32Å; M69-N73 WeakPolarHBondContact O-CB 3.32Å; M69-N73 PolarHBondContact O-N 2.74Å; M69-N73 PolarHBondContact O-ND2 3.2Å; W71-N73 VanDerWaalsContact C-N 3.34Å; W71-N73 PolarHBondContact O-N 3.47Å; N73-L75 VanDerWaalsContact C-N 3.33Å; N73-L77 HydrophobicContact CB-CD1 4.42Å; N73-L77 CarbonylContact O-C 3.38Å; N73-L77 VanDerWaalsContact O-CA 3.3Å; N73-L77 WeakPolarHBondContact O-CA 3.32Å; N73-L77 VanDerWaalsContact O-CB 3.26Å; N73-L77 WeakPolarHBondContact O-CB 3.33Å; N73-L77 PolarHBondContact O-N 3.3Å; N73-G78 PolarHBondContact O-N 3.22Å; N73-G78 VanDerWaalsContact O-N 3.12Å; N73-C79 HydrophobicContact CB-CB 4.1Å; N73-C79 PolarHBondContact O-N 3.44Å
74H95.2Very high95.7Very high59 Ų5950.9 Ų50.927%0.27328%0.28SS..Hα-helixtrans-60.2-48.8173.5-179.561.7000110.6V70 W71 G78 C79 L86V70-H74 WeakPolarHBondContact O-CB 3.34Å; V70-H74 PolarHBondContact O-N 3.48Å; W71-H74 PolarHBondContact O-N 3.46Å; H74-G78 WeakPolarHBondContact O-CA 3.49Å; H74-G78 PolarHBondContact O-N 3.17Å; H74-C79 WeakPolarHBondContact CA-O 3.38Å; H74-C79 PolarHBondContact ND1-O 3.39Å; H74-L86 HydrophobicContact CB-CD2 4.07Å
75L93.4Very high95.7Very high27 Ų2753.1 Ų53.114%0.14129%0.291CS..Hα-helixtrans-71.9-41.8-172.1-169.261000113.5W71 A72 N73 V98 L101W71-L75 HydrophobicContact CH2-CD2 4.15Å; W71-L75 HydrophobicContact CZ2-CD2 3.67Å; W71-L75 VanDerWaalsContact O-CB 3.26Å; W71-L75 WeakPolarHBondContact O-CB 3.39Å; W71-L75 PolarHBondContact O-N 2.76Å; A72-L75 PolarHBondContact O-N 3.2Å; N73-L75 VanDerWaalsContact C-N 3.33Å; L75-V98 HydrophobicContact CD2-CB 4.28Å; L75-V98 HydrophobicContact CD2-CG1 4.36Å; L75-V98 HydrophobicContact CD2-CG2 3.91Å; L75-L101 HydrophobicContact CD1-CD1 3.6Å; L75-L101 HydrophobicContact CD1-CD2 3.49Å; L75-L101 VanDerWaalsContact CD1-CD2 3.49Å; L75-L101 HydrophobicContact CD1-CG 4.17Å; L75-L101 HydrophobicContact CD2-CD2 3.8Å; L75-L101 HydrophobicContact CG-CD1 4.43Å; L75-L101 HydrophobicContact CG-CD2 3.39Å
76F93.7Very high95.8Very high23 Ų2353.1 Ų53.110%0.10129%0.291CS..Hα-helixtrans-107.8-16-172.5-64.6-83000114.9Q36 A39 A72 V98 L101 F104Q36-F76 HydrophobicContact CB-CD2 4.3Å; Q36-F76 HydrophobicContact CB-CE2 4.39Å; Q36-F76 HydrophobicContact CB-CG 4.48Å; Q36-F76 HydrophobicContact CG-CB 3.65Å; Q36-F76 HydrophobicContact CG-CD1 3.66Å; Q36-F76 HydrophobicContact CG-CD2 3.62Å; Q36-F76 HydrophobicContact CG-CE1 4.12Å; Q36-F76 HydrophobicContact CG-CE2 4.09Å; Q36-F76 HydrophobicContact CG-CG 3.38Å; Q36-F76 HydrophobicContact CG-CZ 4.31Å; A39-F76 HydrophobicContact CB-CE2 3.9Å; A39-F76 HydrophobicContact CB-CZ 3.86Å; A72-F76 HydrophobicContact CB-CD2 4.39Å; A72-F76 WeakPolarHBondContact O-CB 3.44Å; A72-F76 VanDerWaalsContact O-CD2 3.32Å; A72-F76 WeakPolarHBondContact O-CD2 3.46Å; A72-F76 PolarHBondContact O-N 3.17Å; F76-V98 HydrophobicContact CE1-CG1 3.94Å; F76-V98 HydrophobicContact CZ-CG1 3.55Å; F76-L101 HydrophobicContact CE1-CD2 4.32Å; F76-F104 WeakPolarHBondContact O-CZ 3.34Å
77L92.3Very high95.8Very high97 Ų9753.1 Ų53.151%0.50829%0.286SS..Hα-helixtrans-119.8-3.6179.8-54176.4000112.8N73 C79 F104N73-L77 HydrophobicContact CB-CD1 4.42Å; N73-L77 CarbonylContact O-C 3.38Å; N73-L77 VanDerWaalsContact O-CA 3.3Å; N73-L77 WeakPolarHBondContact O-CA 3.32Å; N73-L77 VanDerWaalsContact O-CB 3.26Å; N73-L77 WeakPolarHBondContact O-CB 3.33Å; N73-L77 PolarHBondContact O-N 3.3Å; L77-C79 PolarHBondContact O-N 2.91Å; L77-F104 VanDerWaalsContact C-CZ 3.43Å
78G91.3Very high95.8Very high28 Ų2856.4 Ų56.429%0.28930%0.299SS..  trans68.620178.900000113.2N73 H74N73-G78 PolarHBondContact O-N 3.22Å; N73-G78 VanDerWaalsContact O-N 3.12Å; H74-G78 WeakPolarHBondContact O-CA 3.49Å; H74-G78 PolarHBondContact O-N 3.17Å
79C93.2Very high95.8Very high46 Ų4656.4 Ų56.431%0.31130%0.299SS..  trans-63.2140.7177.4-67.50000110.6N73 H74 L77 Y81N73-C79 HydrophobicContact CB-CB 4.1Å; N73-C79 PolarHBondContact O-N 3.44Å; H74-C79 WeakPolarHBondContact CA-O 3.38Å; H74-C79 PolarHBondContact ND1-O 3.39Å; L77-C79 PolarHBondContact O-N 2.91Å; C79-Y81 HydrophobicContact CB-CE2 3.7Å
80S91.8Very high95.8Very high106 Ų10658.3 Ų58.374%0.74131%0.309SS*.  trans-107.6138.5177.2-63.40000110.1
81Y95.5Very high95.8Very high82 Ų8264.8 Ų64.832%0.32234%0.337SS..  trans-128177.7175.9-59.9-88.5000109V70 C79 L85 L86V70-Y81 HydrophobicContact CB-CE2 4.43Å; V70-Y81 HydrophobicContact CG1-CD1 4.35Å; V70-Y81 HydrophobicContact CG1-CD2 3.73Å; V70-Y81 HydrophobicContact CG1-CE1 4.4Å; V70-Y81 HydrophobicContact CG1-CE2 3.79Å; V70-Y81 HydrophobicContact CG1-CG 4.02Å; V70-Y81 HydrophobicContact CG2-CE1 4.19Å; C79-Y81 HydrophobicContact CB-CE2 3.7Å; Y81-L85 HydrophobicContact CD1-CD2 4.22Å; Y81-L85 HydrophobicContact CG-CD2 4.34Å; Y81-L86 HydrophobicContact CD2-CD2 3.93Å; Y81-L86 HydrophobicContact CG-CD2 4.49Å
82N96.8Very high95.8Very high100 Ų10065.6 Ų65.654%0.53534%0.342SS..  trans-62.4154.6173.272.252000110.7D84 L85 L86N82-D84 PolarHBondContact O-N 3.1Å; N82-D84 PolarHBondContact OD1-N 3.29Å; N82-L85 PolarHBondContact O-N 3Å; N82-L85 WeakPolarHBondContact OD1-CB 3.48Å; N82-L85 PolarHBondContact OD1-N 3.34Å; N82-L86 PolarHBondContact O-N 2.91Å; N82-L86 VanDerWaalsContact O-N 3.12Å
83K96.1Very high95.8Very high139 Ų13965.7 Ų65.760%0.60434%0.343SS*.Hα-helixtrans-59.1-45.6-174.2178169.3169.447.20112.2L85 L86 D87K83-L85 VanDerWaalsContact C-N 3.31Å; K83-L85 PolarHBondContact O-N 2.78Å; K83-L86 PolarHBondContact O-N 2.91Å; K83-D87 WeakPolarHBondContact CE-OD2 3.43Å; K83-D87 WeakPolarHBondContact CG-OD2 3.32Å; K83-D87 VanDerWaalsContact NZ-CG 3.35Å; K83-D87 IonicContact NZ-OD1 3.69Å; K83-D87 PolarHBondContact NZ-OD1 3.18Å; K83-D87 VanDerWaalsContact NZ-OD1 3.08Å; K83-D87 IonicContact NZ-OD2 3.44Å; K83-D87 PolarHBondContact NZ-OD2 3.01Å; K83-D87 WeakPolarHBondContact O-CB 3.49Å; K83-D87 VanDerWaalsContact O-CG 3.27Å; K83-D87 PolarHBondContact O-N 3.12Å
84D98Very high95.8Very high130 Ų13070.3 Ų70.370%0.69537%0.368SS*.Hα-helixtrans-62.7-38.5-175.8-55-25.7000112.3N82 K88N82-D84 PolarHBondContact O-N 3.1Å; N82-D84 PolarHBondContact OD1-N 3.29Å; D84-K88 WeakPolarHBondContact O-CB 3.11Å; D84-K88 PolarHBondContact O-N 3.4Å
85L97.8Very high95.7Very high46 Ų4670 Ų7024%0.24138%0.38CS..Hα-helixtrans-69.4-42.4176.4179.759.2000111.4L67 V70 Y81 N82 K83 K88 V89L67-L85 HydrophobicContact CD2-CD1 3.83Å; V70-L85 HydrophobicContact CG1-CD2 4.01Å; V70-L85 HydrophobicContact CG1-CG 4.02Å; V70-L85 HydrophobicContact CG2-CD2 4.32Å; Y81-L85 HydrophobicContact CD1-CD2 4.22Å; Y81-L85 HydrophobicContact CG-CD2 4.34Å; N82-L85 PolarHBondContact O-N 3Å; N82-L85 WeakPolarHBondContact OD1-CB 3.48Å; N82-L85 PolarHBondContact OD1-N 3.34Å; K83-L85 VanDerWaalsContact C-N 3.31Å; K83-L85 PolarHBondContact O-N 2.78Å; L85-K88 PolarHBondContact O-N 2.67Å; L85-V89 HydrophobicContact CD1-CG1 4.23Å; L85-V89 WeakPolarHBondContact O-CG2 3.4Å; L85-V89 PolarHBondContact O-N 3.24Å
86L97.8Very high95.7Very high28 Ų2869.6 Ų69.615%0.14738%0.378CS..Hα-helixtrans-62.8-49.4175.9-72.9-179.5000111.2H74 Y81 N82 K83 K88 V89 M90H74-L86 HydrophobicContact CB-CD2 4.07Å; Y81-L86 HydrophobicContact CD2-CD2 3.93Å; Y81-L86 HydrophobicContact CG-CD2 4.49Å; N82-L86 PolarHBondContact O-N 2.91Å; N82-L86 VanDerWaalsContact O-N 3.12Å; K83-L86 PolarHBondContact O-N 2.91Å; L86-K88 VanDerWaalsContact C-N 3.27Å; L86-K88 PolarHBondContact O-N 2.93Å; L86-V89 WeakPolarHBondContact O-CG2 3.36Å; L86-V89 PolarHBondContact O-N 3.45Å; L86-M90 WeakPolarHBondContact O-CB 3.38Å; L86-M90 WeakPolarHBondContact O-CG 3.47Å; L86-M90 PolarHBondContact O-N 2.93Å
87D97.9Very high95.5Very high75 Ų7576.9 Ų76.940%0.40141%0.412SS..Hα-helixtrans-56.5-45179.1-69.8-11.6000110.1K83 M90 E91K83-D87 WeakPolarHBondContact CE-OD2 3.43Å; K83-D87 WeakPolarHBondContact CG-OD2 3.32Å; K83-D87 VanDerWaalsContact NZ-CG 3.35Å; K83-D87 IonicContact NZ-OD1 3.69Å; K83-D87 PolarHBondContact NZ-OD1 3.18Å; K83-D87 VanDerWaalsContact NZ-OD1 3.08Å; K83-D87 IonicContact NZ-OD2 3.44Å; K83-D87 PolarHBondContact NZ-OD2 3.01Å; K83-D87 WeakPolarHBondContact O-CB 3.49Å; K83-D87 VanDerWaalsContact O-CG 3.27Å; K83-D87 PolarHBondContact O-N 3.12Å; D87-M90 PolarHBondContact O-N 3.06Å; D87-E91 WeakPolarHBondContact O-CB 3.23Å; D87-E91 PolarHBondContact O-N 3.44Å
88K98.1Very high95.4Very high81 Ų8173.9 Ų73.935%0.35240%0.398SS..Hα-helixtrans-59.3-51.7175.6178.4179.7177.6-179.70113L67 D84 L85 L86 M90 E91 M92L67-K88 HydrophobicContact CD2-CD 4.48Å; D84-K88 WeakPolarHBondContact O-CB 3.11Å; D84-K88 PolarHBondContact O-N 3.4Å; L85-K88 PolarHBondContact O-N 2.67Å; L86-K88 VanDerWaalsContact C-N 3.27Å; L86-K88 PolarHBondContact O-N 2.93Å; K88-M90 VanDerWaalsContact C-N 3.29Å; K88-M90 PolarHBondContact O-N 3.4Å; K88-E91 PolarHBondContact O-N 3.22Å; K88-M92 HydrophobicContact CG-SD 4.29Å; K88-M92 WeakPolarHBondContact O-CG 3.43Å; K88-M92 PolarHBondContact O-N 3.36Å
89V98Very high95.1Very high0 Ų080.1 Ų80.10%042%0.42CS..Hα-helixtrans-71.4-27.5-175.6-61.30000112.3L67 V70 W71 L85 L86 A93L67-V89 HydrophobicContact CB-CG1 4.27Å; L67-V89 HydrophobicContact CD2-CG1 3.72Å; V70-V89 HydrophobicContact CB-CG1 4.44Å; V70-V89 HydrophobicContact CG1-CG1 4.17Å; V70-V89 HydrophobicContact CG1-CG2 4.21Å; W71-V89 HydrophobicContact CB-CB 4.07Å; W71-V89 HydrophobicContact CB-CG2 4.17Å; L85-V89 HydrophobicContact CD1-CG1 4.23Å; L85-V89 WeakPolarHBondContact O-CG2 3.4Å; L85-V89 PolarHBondContact O-N 3.24Å; L86-V89 WeakPolarHBondContact O-CG2 3.36Å; L86-V89 PolarHBondContact O-N 3.45Å; V89-A93 WeakPolarHBondContact O-CB 3.38Å; V89-A93 PolarHBondContact O-N 3.03Å
90M97.1Very high94.6Very high89 Ų8984 Ų8444%0.43844%0.437SS..Hα-helixtrans-71.4-39.8172.9-67.4-58.2-65.300111.5L86 D87 K88 A93 D94L86-M90 WeakPolarHBondContact O-CB 3.38Å; L86-M90 WeakPolarHBondContact O-CG 3.47Å; L86-M90 PolarHBondContact O-N 2.93Å; D87-M90 PolarHBondContact O-N 3.06Å; K88-M90 VanDerWaalsContact C-N 3.29Å; K88-M90 PolarHBondContact O-N 3.4Å; M90-A93 PolarHBondContact O-N 3.4Å; M90-D94 PolarHBondContact O-N 3.46Å
91E97.6Very high94.2Very high156 Ų15682.7 Ų82.773%0.72942%0.421SS*.Hα-helixtrans-62.1-43.8171.8-176.5-177.1175.500111.4D87 K88 A93 D94D87-E91 WeakPolarHBondContact O-CB 3.23Å; D87-E91 PolarHBondContact O-N 3.44Å; K88-E91 PolarHBondContact O-N 3.22Å; E91-A93 PolarHBondContact O-N 2.99Å; E91-D94 WeakPolarHBondContact O-CB 3.38Å; E91-D94 PolarHBondContact O-N 3.4Å; E91-D94 VanDerWaalsContact O-N 3.15Å
92M97.8Very high93.7Very high23 Ų2381.4 Ų81.411%0.11342%0.423CS..Hα-helixtrans-61.5-31.5174.8-72.6-178.670.100112.7F43 H47 Y51 L64 L67 K88 D94F43-M92 HydrophobicContact CE1-CE 3.84Å; F43-M92 HydrophobicContact CE2-CB 3.82Å; F43-M92 HydrophobicContact CZ-CB 3.6Å; F43-M92 HydrophobicContact CZ-CE 3.79Å; F43-M92 HydrophobicContact CZ-CG 4.47Å; F43-M92 HydrophobicContact CZ-SD 4.15Å; H47-M92 HydrophobicContact CB-CE 4.36Å; H47-M92 PolarHBondContact CE1-O 3.25Å; H47-M92 PolarHBondContact NE2-O 3Å; Y51-M92 HydrophobicContact CE2-CE 3.96Å; L64-M92 HydrophobicContact CD1-CE 4.32Å; L67-M92 HydrophobicContact CD1-CE 4.25Å; L67-M92 HydrophobicContact CD1-SD 3.98Å; K88-M92 HydrophobicContact CG-SD 4.29Å; K88-M92 WeakPolarHBondContact O-CG 3.43Å; K88-M92 PolarHBondContact O-N 3.36Å; M92-D94 VanDerWaalsContact C-N 3.3Å
93A97.1Very high93Very high7 Ų785.6 Ų85.66%0.05844%0.44CS..THydrogen-bonded Turntrans-862.4179.700000113.9F43 W71 V89 M90 E91 G95 I96F43-A93 HydrophobicContact CD2-CB 4Å; F43-A93 HydrophobicContact CE2-CB 3.95Å; W71-A93 HydrophobicContact CD2-CB 4.03Å; W71-A93 HydrophobicContact CG-CB 4.3Å; W71-A93 HydrophobicContact CZ2-CB 3.64Å; V89-A93 WeakPolarHBondContact O-CB 3.38Å; V89-A93 PolarHBondContact O-N 3.03Å; M90-A93 PolarHBondContact O-N 3.4Å; E91-A93 PolarHBondContact O-N 2.99Å; A93-G95 PolarHBondContact O-N 3.08Å; A93-I96 HydrophobicContact CB-CD1 4.32Å; A93-I96 WeakPolarHBondContact O-CB 3.36Å; A93-I96 WeakPolarHBondContact O-CG1 3.3Å; A93-I96 PolarHBondContact O-N 2.91Å
94D95.6Very high92.4Very high135 Ų13584.1 Ų84.172%0.72243%0.433SS*.THydrogen-bonded Turntrans-57.2130.6-178.2-170.939.5000111.1R46 M90 E91 M92R46-D94 PolarHBondContact NH1-O 3.31Å; M90-D94 PolarHBondContact O-N 3.46Å; E91-D94 WeakPolarHBondContact O-CB 3.38Å; E91-D94 PolarHBondContact O-N 3.4Å; E91-D94 VanDerWaalsContact O-N 3.15Å; M92-D94 VanDerWaalsContact C-N 3.3Å
95G92.6Very high91.5Very high52 Ų5281.1 Ų81.154%0.53642%0.42SS..THydrogen-bonded Turntrans72.815-173.400000116R46 A93R46-G95 PolarHBondContact NH1-O 3.29Å; R46-G95 PolarHBondContact NH2-O 3.21Å; A93-G95 PolarHBondContact O-N 3.08Å
96I93.8Very high90.6Very high18 Ų1882.5 Ų82.59%0.09243%0.43CS..  trans-93.6115.2164.4-57177.2000107.8E42 F43 W71 A93 V98E42-I96 HydrophobicContact CB-CG2 4.42Å; E42-I96 HydrophobicContact CG-CG1 4.36Å; E42-I96 HydrophobicContact CG-CG2 4.23Å; F43-I96 HydrophobicContact CB-CD1 3.78Å; F43-I96 HydrophobicContact CD2-CD1 3.92Å; F43-I96 HydrophobicContact CG-CD1 4.21Å; W71-I96 HydrophobicContact CH2-CB 4.24Å; W71-I96 HydrophobicContact CH2-CD1 4.24Å; W71-I96 HydrophobicContact CH2-CG2 3.72Å; W71-I96 HydrophobicContact CZ2-CB 4.44Å; W71-I96 HydrophobicContact CZ2-CG2 4.34Å; A93-I96 HydrophobicContact CB-CD1 4.32Å; A93-I96 WeakPolarHBondContact O-CB 3.36Å; A93-I96 WeakPolarHBondContact O-CG1 3.3Å; A93-I96 PolarHBondContact O-N 2.91Å; I96-V98 HydrophobicContact CG2-CG2 4.36Å
97E90.1Very high89.6Confident176 Ų17690.4 Ų90.482%0.82246%0.458SS*.  trans-89.4125.3-179.5-65.8-174.4171.900110.7
98V89.1Confident88.5Confident35 Ų3590.6 Ų90.621%0.21247%0.466CS..  trans-122115175.9-174.40000109.4A39 W71 L75 F76 I96 L101A39-V98 HydrophobicContact CB-CG1 4.48Å; A39-V98 HydrophobicContact CB-CG2 3.75Å; W71-V98 HydrophobicContact CH2-CG2 4.03Å; W71-V98 HydrophobicContact CZ2-CG2 4.29Å; L75-V98 HydrophobicContact CD2-CB 4.28Å; L75-V98 HydrophobicContact CD2-CG1 4.36Å; L75-V98 HydrophobicContact CD2-CG2 3.91Å; F76-V98 HydrophobicContact CE1-CG1 3.94Å; F76-V98 HydrophobicContact CZ-CG1 3.55Å; I96-V98 HydrophobicContact CG2-CG2 4.36Å; V98-L101 HydrophobicContact CB-CD2 3.97Å; V98-L101 HydrophobicContact CB-CG 4.35Å; V98-L101 HydrophobicContact CG1-CD2 3.46Å; V98-L101 VanDerWaalsContact CG1-CD2 3.46Å; V98-L101 HydrophobicContact CG1-CG 4.15Å
99E85.3Confident87.7Confident159 Ų15991.3 Ų91.374%0.74347%0.47SS*.SBendtrans-79.5150.9177.3-63.1178.4175.100111.7L101E99-L101 PolarHBondContact O-N 2.94Å
100D83Confident87Confident127 Ų12795 Ų9568%0.67949%0.49SS*.SBendtrans54.150174.2-58.1-33.7000115.2K35K35-D100 IonicContact NZ-OD2 3.18Å; K35-D100 PolarHBondContact NZ-OD2 3.32Å; K35-D100 VanDerWaalsContact NZ-OD2 3.12Å
101L84Confident86.1Confident78 Ų7895.5 Ų95.541%0.40849%0.492SS..  trans-62.9137.2177.5-72.4174.7000112.5L75 F76 V98 E99L75-L101 HydrophobicContact CD1-CD1 3.6Å; L75-L101 HydrophobicContact CD1-CD2 3.49Å; L75-L101 VanDerWaalsContact CD1-CD2 3.49Å; L75-L101 HydrophobicContact CD1-CG 4.17Å; L75-L101 HydrophobicContact CD2-CD2 3.8Å; L75-L101 HydrophobicContact CG-CD1 4.43Å; L75-L101 HydrophobicContact CG-CD2 3.39Å; F76-L101 HydrophobicContact CE1-CD2 4.32Å; V98-L101 HydrophobicContact CB-CD2 3.97Å; V98-L101 HydrophobicContact CB-CG 4.35Å; V98-L101 HydrophobicContact CG1-CD2 3.46Å; V98-L101 VanDerWaalsContact CG1-CD2 3.46Å; V98-L101 HydrophobicContact CG1-CG 4.15Å; E99-L101 PolarHBondContact O-N 2.94Å
102P85Confident85.3Confident55 Ų5595.2 Ų95.236%0.35749%0.488SS..  trans-63.1138.3174.923.9-29.7000110.8F104P102-F104 HydrophobicContact CB-CE2 4.05Å; P102-F104 HydrophobicContact CB-CZ 3.86Å; P102-F104 HydrophobicContact CG-CE2 3.7Å; P102-F104 HydrophobicContact CG-CZ 3.67Å
103Q81.9Confident84.3Confident188 Ų188101.2 Ų101.288%0.87951%0.514SS*.  trans-90.6113.2175.3-67.9-173.9-5.600110.2
104F83.2Confident83Confident108 Ų108108.4 Ų108.447%0.47455%0.546SS..  trans-91.3131.3172.3-59.4-74.2000109.9F76 L77 P102F76-F104 WeakPolarHBondContact O-CZ 3.34Å; L77-F104 VanDerWaalsContact C-CZ 3.43Å; P102-F104 HydrophobicContact CB-CE2 4.05Å; P102-F104 HydrophobicContact CB-CZ 3.86Å; P102-F104 HydrophobicContact CG-CE2 3.7Å; P102-F104 HydrophobicContact CG-CZ 3.67Å
105T78.9Confident81.3Confident67 Ų67110 Ų11041%0.41155%0.549SS..  trans-116.3126.1168.4-51.50000108.3E109 L110T105-E109 HydrophobicContact CG2-CB 3.76Å; T105-L110 HydrophobicContact CG2-CD2 3.82Å; T105-L110 HydrophobicContact CG2-CG 3.72Å
106T78.1Confident79.4Confident76 Ų76115.7 Ų115.747%0.46658%0.581SS.*  trans-71.4154.7176.865.90000110.7S108 E109 L110T106-S108 PolarHBondContact O-N 2.94Å; T106-E109 WeakPolarHBondContact CB-OE2 3.33Å; T106-E109 PolarHBondContact N-OE2 3.4Å; T106-E109 PolarHBondContact O-N 2.96Å; T106-E109 VanDerWaalsContact O-N 3.16Å; T106-E109 WeakPolarHBondContact OG1-CB 3.44Å; T106-E109 WeakPolarHBondContact OG1-CG 3.44Å; T106-E109 PolarHBondContact OG1-N 3.47Å; T106-E109 PolarHBondContact OG1-OE2 2.96Å; T106-L110 PolarHBondContact O-N 3.14Å
107R77.3Confident78.7Confident193 Ų193120.6 Ų120.673%0.72861%0.605SS**Hα-helixtrans-54.7-41.6173.7-176.1-175.9175.8-170.81.1111.8E109 L110 M111R107-E109 PolarHBondContact O-N 3.15Å; R107-L110 WeakPolarHBondContact O-CB 3.28Å; R107-L110 PolarHBondContact O-N 3.07Å; R107-M111 HydrophobicContact CG-CG 4.37Å; R107-M111 HydrophobicContact CG-SD 3.98Å; R107-M111 VanDerWaalsContact O-CG 3.27Å; R107-M111 WeakPolarHBondContact O-CG 3.42Å; R107-M111 PolarHBondContact O-N 3.32Å
108S74.2Confident78.1Confident80 Ų80117.6 Ų117.656%0.55959%0.593SS**Hα-helixtrans-65-37.7-179.8-61.70000112.6T106 M111 K112T106-S108 PolarHBondContact O-N 2.94Å; S108-M111 PolarHBondContact O-N 3.49Å; S108-K112 WeakPolarHBondContact O-CG 3.3Å; S108-K112 PolarHBondContact O-N 3.4Å
109E82Confident77.5Confident95 Ų95122.2 Ų122.244%0.44462%0.615SS.*Hα-helixtrans-66.8-41173.5-72.2162.1152.700111.9T105 T106 R107 M111 K112 K113T105-E109 HydrophobicContact CG2-CB 3.76Å; T106-E109 WeakPolarHBondContact CB-OE2 3.33Å; T106-E109 PolarHBondContact N-OE2 3.4Å; T106-E109 PolarHBondContact O-N 2.96Å; T106-E109 VanDerWaalsContact O-N 3.16Å; T106-E109 WeakPolarHBondContact OG1-CB 3.44Å; T106-E109 WeakPolarHBondContact OG1-CG 3.44Å; T106-E109 PolarHBondContact OG1-N 3.47Å; T106-E109 PolarHBondContact OG1-OE2 2.96Å; R107-E109 PolarHBondContact O-N 3.15Å; E109-M111 VanDerWaalsContact C-N 3.32Å; E109-M111 PolarHBondContact O-N 3.01Å; E109-K112 PolarHBondContact O-N 3.29Å; E109-K113 WeakPolarHBondContact O-CG 3.47Å; E109-K113 PolarHBondContact O-N 3.4Å; E109-K113 VanDerWaalsContact O-N 3.13Å
110L82.8Confident77Confident79 Ų79120.1 Ų120.141%0.41461%0.607SS.*Hα-helixtrans-60.6-42.5173.1-69.9169.8000111.4T105 T106 R107 K113 H114T105-L110 HydrophobicContact CG2-CD2 3.82Å; T105-L110 HydrophobicContact CG2-CG 3.72Å; T106-L110 PolarHBondContact O-N 3.14Å; R107-L110 WeakPolarHBondContact O-CB 3.28Å; R107-L110 PolarHBondContact O-N 3.07Å; L110-K113 PolarHBondContact O-N 3.18Å; L110-H114 PolarHBondContact O-N 3.42Å; L110-H114 PolarHBondContact O-ND1 3.27Å
111M79.9Confident76.6Confident98 Ų98119.6 Ų119.648%0.48360%0.603SS.*Hα-helixtrans-67.6-36.4179.7-69.7178.383.300112.4R107 S108 E109 H114R107-M111 HydrophobicContact CG-CG 4.37Å; R107-M111 HydrophobicContact CG-SD 3.98Å; R107-M111 VanDerWaalsContact O-CG 3.27Å; R107-M111 WeakPolarHBondContact O-CG 3.42Å; R107-M111 PolarHBondContact O-N 3.32Å; S108-M111 PolarHBondContact O-N 3.49Å; E109-M111 VanDerWaalsContact C-N 3.32Å; E109-M111 PolarHBondContact O-N 3.01Å; M111-H114 PolarHBondContact O-N 3.42Å
112K80.7Confident76.2Confident151 Ų151122.4 Ų122.466%0.65762%0.616SS**Hα-helixtrans-65.4-40.1174.4-74.4176.3-178.4179.40112.5S108 E109 H114 Q115S108-K112 WeakPolarHBondContact O-CG 3.3Å; S108-K112 PolarHBondContact O-N 3.4Å; E109-K112 PolarHBondContact O-N 3.29Å; K112-H114 PolarHBondContact O-N 3.5Å; K112-Q115 PolarHBondContact O-N 2.98Å
113K75.2Confident75.5Confident149 Ų149127.2 Ų127.265%0.64863%0.634SS**Hα-helixtrans-63.1-26.6178-73.7179-179.6-179.80113.6E109 L110E109-K113 WeakPolarHBondContact O-CG 3.47Å; E109-K113 PolarHBondContact O-N 3.4Å; E109-K113 VanDerWaalsContact O-N 3.13Å; L110-K113 PolarHBondContact O-N 3.18Å
114H69.8Low75Confident158 Ų158122.5 Ų122.573%0.73162%0.615SS**THydrogen-bonded Turntrans-90.3-1.3178.9-70.397.2000114.1L110 M111 K112L110-H114 PolarHBondContact O-N 3.42Å; L110-H114 PolarHBondContact O-ND1 3.27Å; M111-H114 PolarHBondContact O-N 3.42Å; K112-H114 PolarHBondContact O-N 3.5Å
115Q61.3Low74.4Confident167 Ų167123.8 Ų123.878%0.7863%0.627SS**THydrogen-bonded Turntrans-104.95.5178.2-74.7-176.7-12.500113.2K112K112-Q115 PolarHBondContact O-N 2.98Å
116S52.2Low73.9Confident172 Ų172128.9 Ų128.9100%1.20365%0.647SS**  trans-104.90171.7-67.20000111.6

Retrieved 116 of 116 residues in 200.7 ms (Link to these results)