A0A096NAH6_PAPAN Loading...

MID1 interacting protein 1

AlphaFold DB (Q9NPA3), UniProt , Accession A0A096NAH6, Species PAPAN (Papio anubis, Olive baboon), Gene MID1IP1, Length 183 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
1M40.5Very low54.4Low246 Ų246154.1 Ų154.1100%1.21277%0.766SS**  0104.80-101.3-175-159.300108.3
2M54.6Low55.7Low191 Ų191154.6 Ų154.694%0.94176%0.764SS**  trans-148.680.2168.8-87.4-178.6175.200106.7
3Q54.4Low57.9Low171 Ų171146.2 Ų146.280%0.79973%0.729SS**  trans-145.769.5178.6-87.7-171.4-3900109.4
4I55.9Low60Low159 Ų159142.9 Ų142.982%0.81572%0.715SS**SBendtrans-146.2-4.5172.6-35.5165.8000112.3
5C55.4Low61.6Low100 Ų100142.7 Ų142.768%0.67671%0.708SS**SBendtrans-84.9-11.4178-71.80000113.9N9C5-N9 PolarHBondContact O-ND2 3.28Å
6D51.2Low63.4Low116 Ų116137.3 Ų137.362%0.6268%0.683SS**THydrogen-bonded Turntrans-76.7-26.5-169.3-59.4-62.5000113.8
7T57.5Low64.9Low116 Ų116131.7 Ų131.771%0.71266%0.663SS**THydrogen-bonded Turntrans-86.7-32.3-172.2-44.70000113.7
8Y51.6Low66.4Low201 Ų201126.5 Ų126.579%0.78864%0.637SS**THydrogen-bonded Turntrans-81.5-27.9-175.1-155.6-95.8000113.1
9N55.8Low67.7Low105 Ų105123.4 Ų123.456%0.56162%0.622SS**SBendtrans-84.1-13.2-178.8-67.2-73.7000113.5C5 K11 H12 S13C5-N9 PolarHBondContact O-ND2 3.28Å; N9-K11 VanDerWaalsContact C-N 3.33Å; N9-K11 PolarHBondContact O-N 2.88Å; N9-H12 PolarHBondContact O-N 3.47Å; N9-S13 PolarHBondContact O-N 3.41Å
10Q59.7Low68.9Low129 Ų129125.1 Ų125.160%0.60362%0.621SS**G310 helixtrans-68.7-30.4-172.5-159.7178.710.900113H12 S13 N16Q10-H12 VanDerWaalsContact C-N 3.3Å; Q10-H12 PolarHBondContact O-N 3Å; Q10-S13 VanDerWaalsContact O-CB 3.29Å; Q10-S13 WeakPolarHBondContact O-CB 3.39Å; Q10-S13 PolarHBondContact O-N 2.87Å; Q10-N16 WeakPolarHBondContact O-CB 3.45Å
11K61.7Low70.1Confident161 Ų161121.7 Ų121.770%0.760%0.602SS**G310 helixtrans-65.8-33.1177.7-70.2-174.9177.5179.90112.8N9 N16N9-K11 VanDerWaalsContact C-N 3.33Å; N9-K11 PolarHBondContact O-N 2.88Å; K11-N16 PolarHBondContact O-ND2 3.29Å
12H70.6Confident72.6Confident160 Ų160111.5 Ų111.574%0.74155%0.553SS**G310 helixtrans-94.75.6178.7-59.4-75.7000113.1N9 Q10 L14N9-H12 PolarHBondContact O-N 3.47Å; Q10-H12 VanDerWaalsContact C-N 3.3Å; Q10-H12 PolarHBondContact O-N 3Å; H12-L14 PolarHBondContact O-N 2.89Å
13S84Confident74.5Confident45 Ų45104.4 Ų104.432%0.31553%0.528SS..  trans-67.3132.1178.2179.70000110.8N9 Q10 F15 N16 A17N9-S13 PolarHBondContact O-N 3.41Å; Q10-S13 VanDerWaalsContact O-CB 3.29Å; Q10-S13 WeakPolarHBondContact O-CB 3.39Å; Q10-S13 PolarHBondContact O-N 2.87Å; S13-F15 PolarHBondContact O-N 3.22Å; S13-F15 PolarHBondContact OG-N 3.48Å; S13-N16 WeakPolarHBondContact O-CA 3.46Å; S13-N16 WeakPolarHBondContact O-CB 3.28Å; S13-N16 PolarHBondContact O-N 3.1Å; S13-A17 PolarHBondContact O-N 3.41Å
14L86.5Confident76.5Confident101 Ų10199.2 Ų99.253%0.52951%0.514SS..Hα-helixtrans-51-41.4171.6176.463.7000111.2H12 N16 A17 M18 L154H12-L14 PolarHBondContact O-N 2.89Å; L14-N16 VanDerWaalsContact C-N 3.31Å; L14-N16 PolarHBondContact O-N 3.03Å; L14-A17 PolarHBondContact O-N 3.06Å; L14-A17 VanDerWaalsContact O-N 3.17Å; L14-M18 HydrophobicContact CD1-CG 4.11Å; L14-M18 HydrophobicContact CD1-SD 4.16Å; L14-M18 HydrophobicContact CD2-SD 4.3Å; L14-M18 HydrophobicContact CG-CG 4.26Å; L14-M18 HydrophobicContact CG-SD 3.79Å; L14-M18 WeakPolarHBondContact O-CB 3.49Å; L14-M18 VanDerWaalsContact O-CG 3.25Å; L14-M18 WeakPolarHBondContact O-CG 3.43Å; L14-M18 PolarHBondContact O-N 3.13Å; L14-L154 HydrophobicContact CD2-CD2 3.63Å
15F85.2Confident78.3Confident140 Ų14091.9 Ų91.961%0.61448%0.477SS*.Hα-helixtrans-60.1-40.9177.6-177.3-104.6000112.1S13 N19S13-F15 PolarHBondContact O-N 3.22Å; S13-F15 PolarHBondContact OG-N 3.48Å; F15-N19 VanDerWaalsContact CD1-ND2 3.31Å; F15-N19 WeakPolarHBondContact CD1-ND2 3.42Å; F15-N19 WeakPolarHBondContact CE1-ND2 3.47Å; F15-N19 VanDerWaalsContact CZ-ND2 3.32Å; F15-N19 WeakPolarHBondContact CZ-ND2 3.32Å; F15-N19 WeakPolarHBondContact O-CB 3.43Å; F15-N19 PolarHBondContact O-N 2.94Å; F15-N19 PolarHBondContact O-ND2 3.41Å; F15-N19 VanDerWaalsContact O-ND2 3.1Å
16N89.3Confident80.1Confident56 Ų5690.1 Ų90.130%0.29946%0.461SS..Hα-helixtrans-69.9-37.6176.5-172.742.9000111.9Q10 K11 S13 L14 R20Q10-N16 WeakPolarHBondContact O-CB 3.45Å; K11-N16 PolarHBondContact O-ND2 3.29Å; S13-N16 WeakPolarHBondContact O-CA 3.46Å; S13-N16 WeakPolarHBondContact O-CB 3.28Å; S13-N16 PolarHBondContact O-N 3.1Å; L14-N16 VanDerWaalsContact C-N 3.31Å; L14-N16 PolarHBondContact O-N 3.03Å; N16-R20 WeakPolarHBondContact O-CG 3.45Å; N16-R20 PolarHBondContact O-N 3.37Å
17A90Very high82.2Confident42 Ų4289.8 Ų89.835%0.34746%0.459SS..Hα-helixtrans-63.7-45.9173.900000111.8S13 L14 N19 R20 F21S13-A17 PolarHBondContact O-N 3.41Å; L14-A17 PolarHBondContact O-N 3.06Å; L14-A17 VanDerWaalsContact O-N 3.17Å; A17-N19 PolarHBondContact O-N 3.1Å; A17-R20 PolarHBondContact O-N 2.7Å; A17-F21 PolarHBondContact O-N 2.83Å
18M90.7Very high83.9Confident38 Ų3886.1 Ų86.119%0.18743%0.434CS..Hα-helixtrans-60.2-45175.3-68.6170.878.200111.5L14 R20 F21 I22 I101 L151L14-M18 HydrophobicContact CD1-CG 4.11Å; L14-M18 HydrophobicContact CD1-SD 4.16Å; L14-M18 HydrophobicContact CD2-SD 4.3Å; L14-M18 HydrophobicContact CG-CG 4.26Å; L14-M18 HydrophobicContact CG-SD 3.79Å; L14-M18 WeakPolarHBondContact O-CB 3.49Å; L14-M18 VanDerWaalsContact O-CG 3.25Å; L14-M18 WeakPolarHBondContact O-CG 3.43Å; L14-M18 PolarHBondContact O-N 3.13Å; M18-R20 PolarHBondContact O-N 3.41Å; M18-F21 WeakPolarHBondContact O-CB 3.46Å; M18-F21 PolarHBondContact O-N 3.22Å; M18-I22 VanDerWaalsContact O-CG1 3.27Å; M18-I22 WeakPolarHBondContact O-CG1 3.44Å; M18-I22 PolarHBondContact O-N 3.02Å; M18-I101 HydrophobicContact CE-CB 4.27Å; M18-I101 HydrophobicContact CE-CG1 3.94Å; M18-I101 HydrophobicContact CE-CG2 3.55Å; M18-L151 HydrophobicContact CE-CD1 4.13Å
19N91.3Very high85.8Confident68 Ų6878.6 Ų78.636%0.36441%0.408SS..Hα-helixtrans-64.1-38.2177.3-71.4-30.3000112.9F15 A17 I22 G23F15-N19 VanDerWaalsContact CD1-ND2 3.31Å; F15-N19 WeakPolarHBondContact CD1-ND2 3.42Å; F15-N19 WeakPolarHBondContact CE1-ND2 3.47Å; F15-N19 VanDerWaalsContact CZ-ND2 3.32Å; F15-N19 WeakPolarHBondContact CZ-ND2 3.32Å; F15-N19 WeakPolarHBondContact O-CB 3.43Å; F15-N19 PolarHBondContact O-N 2.94Å; F15-N19 PolarHBondContact O-ND2 3.41Å; F15-N19 VanDerWaalsContact O-ND2 3.1Å; A17-N19 PolarHBondContact O-N 3.1Å; N19-I22 PolarHBondContact O-N 3.47Å; N19-G23 PolarHBondContact O-N 3.41Å
20R92.9Very high87.5Confident156 Ų15680.9 Ų80.959%0.58942%0.415SS*.Hα-helixtrans-62.5-43.4173-77.2-170.6-75.6145.8-7.6111.5N16 A17 M18 G23 A24N16-R20 WeakPolarHBondContact O-CG 3.45Å; N16-R20 PolarHBondContact O-N 3.37Å; A17-R20 PolarHBondContact O-N 2.7Å; M18-R20 PolarHBondContact O-N 3.41Å; R20-G23 PolarHBondContact O-N 3.06Å; R20-A24 PolarHBondContact O-N 3.4Å
21F93.5Very high89.2Confident54 Ų5479.4 Ų79.424%0.23742%0.415CS..Hα-helixtrans-59.9-51.5174.6171.9-95.4000111.8A17 M18 G23 A24 V25 L94 I97 R98 I101A17-F21 PolarHBondContact O-N 2.83Å; M18-F21 WeakPolarHBondContact O-CB 3.46Å; M18-F21 PolarHBondContact O-N 3.22Å; F21-G23 VanDerWaalsContact C-N 3.26Å; F21-G23 PolarHBondContact O-N 2.91Å; F21-A24 PolarHBondContact O-N 2.95Å; F21-A24 VanDerWaalsContact O-N 3.07Å; F21-V25 HydrophobicContact CD1-CG2 4.22Å; F21-V25 HydrophobicContact CD2-CG2 4.16Å; F21-V25 HydrophobicContact CE1-CG2 3.75Å; F21-V25 HydrophobicContact CE2-CG2 3.7Å; F21-V25 HydrophobicContact CG-CG2 4.41Å; F21-V25 HydrophobicContact CZ-CG2 3.48Å; F21-V25 VanDerWaalsContact CZ-CG2 3.48Å; F21-V25 WeakPolarHBondContact O-CG2 3.4Å; F21-V25 PolarHBondContact O-N 3.27Å; F21-L94 HydrophobicContact CE2-CD2 3.72Å; F21-L94 HydrophobicContact CZ-CD2 4.16Å; F21-I97 HydrophobicContact CE1-CB 4.29Å; F21-I97 HydrophobicContact CE1-CG2 3.66Å; F21-I97 HydrophobicContact CE2-CG2 4.41Å; F21-I97 HydrophobicContact CZ-CB 3.92Å; F21-I97 HydrophobicContact CZ-CG2 3.52Å; F21-R98 HydrophobicContact CE1-CB 4.08Å; F21-I101 HydrophobicContact CD1-CD1 3.49Å; F21-I101 VanDerWaalsContact CD1-CD1 3.49Å; F21-I101 HydrophobicContact CE1-CD1 3.64Å
22I92.8Very high90.6Very high33 Ų3373.3 Ų73.317%0.16939%0.391CS..Hα-helixtrans-56.5-43.3177.6-64.3164.1000110.5M18 N19 A24 V25 N26 I101M18-I22 VanDerWaalsContact O-CG1 3.27Å; M18-I22 WeakPolarHBondContact O-CG1 3.44Å; M18-I22 PolarHBondContact O-N 3.02Å; N19-I22 PolarHBondContact O-N 3.47Å; I22-A24 PolarHBondContact O-N 3.33Å; I22-V25 PolarHBondContact O-N 2.81Å; I22-N26 VanDerWaalsContact O-CB 3.27Å; I22-N26 WeakPolarHBondContact O-CB 3.45Å; I22-N26 PolarHBondContact O-N 3.41Å; I22-N26 PolarHBondContact O-ND2 2.97Å; I22-I101 HydrophobicContact CD1-CG2 3.61Å; I22-I101 HydrophobicContact CG1-CG2 4.05Å
23G94.5Very high91.6Very high41 Ų4173.7 Ų73.742%0.42340%0.395SS..Hα-helixtrans-59.7-43.3176.200000113N19 R20 F21 N27N19-G23 PolarHBondContact O-N 3.41Å; R20-G23 PolarHBondContact O-N 3.06Å; F21-G23 VanDerWaalsContact C-N 3.26Å; F21-G23 PolarHBondContact O-N 2.91Å; G23-N27 WeakPolarHBondContact O-CB 3.32Å; G23-N27 PolarHBondContact O-N 3.48Å
24A95.9Very high91.9Very high62 Ų6274.9 Ų74.951%0.51240%0.401SS..Hα-helixtrans-66.7-46.1177.100000112.3R20 F21 I22 N26 N27 M28R20-A24 PolarHBondContact O-N 3.4Å; F21-A24 PolarHBondContact O-N 2.95Å; F21-A24 VanDerWaalsContact O-N 3.07Å; I22-A24 PolarHBondContact O-N 3.33Å; A24-N26 VanDerWaalsContact C-N 3.32Å; A24-N26 PolarHBondContact O-N 3.33Å; A24-N27 WeakPolarHBondContact O-CB 3.36Å; A24-N27 PolarHBondContact O-N 2.89Å; A24-M28 PolarHBondContact O-N 2.92Å
25V94Very high92Very high5 Ų571.8 Ų71.83%0.0339%0.387CS..Hα-helixtrans-64.9-37.3177.4-178.80000111F21 I22 M28 D29 L94 K95 R98F21-V25 HydrophobicContact CD1-CG2 4.22Å; F21-V25 HydrophobicContact CD2-CG2 4.16Å; F21-V25 HydrophobicContact CE1-CG2 3.75Å; F21-V25 HydrophobicContact CE2-CG2 3.7Å; F21-V25 HydrophobicContact CG-CG2 4.41Å; F21-V25 HydrophobicContact CZ-CG2 3.48Å; F21-V25 VanDerWaalsContact CZ-CG2 3.48Å; F21-V25 WeakPolarHBondContact O-CG2 3.4Å; F21-V25 PolarHBondContact O-N 3.27Å; I22-V25 PolarHBondContact O-N 2.81Å; V25-M28 HydrophobicContact CG1-CE 3.79Å; V25-M28 WeakPolarHBondContact O-CB 3.34Å; V25-M28 PolarHBondContact O-N 3.38Å; V25-D29 WeakPolarHBondContact O-CB 3.47Å; V25-D29 PolarHBondContact O-N 2.9Å; V25-L94 HydrophobicContact CG1-CB 4.45Å; V25-L94 HydrophobicContact CG2-CB 4.13Å; V25-K95 HydrophobicContact CG1-CG 4.33Å; V25-R98 HydrophobicContact CB-CB 4.29Å; V25-R98 HydrophobicContact CB-CG 4.45Å; V25-R98 HydrophobicContact CG1-CB 3.86Å; V25-R98 HydrophobicContact CG1-CG 4.22Å
26N93.3Very high92.1Very high64 Ų6468.4 Ų68.434%0.34238%0.38SS..Hα-helixtrans-66.9-40.9174.6-74.9-14.9000112.1I22 A24 D29 Q30 R98I22-N26 VanDerWaalsContact O-CB 3.27Å; I22-N26 WeakPolarHBondContact O-CB 3.45Å; I22-N26 PolarHBondContact O-N 3.41Å; I22-N26 PolarHBondContact O-ND2 2.97Å; A24-N26 VanDerWaalsContact C-N 3.32Å; A24-N26 PolarHBondContact O-N 3.33Å; N26-D29 PolarHBondContact O-N 2.98Å; N26-Q30 VanDerWaalsContact O-CG 3.31Å; N26-Q30 WeakPolarHBondContact O-CG 3.37Å; N26-Q30 PolarHBondContact O-N 3.24Å; N26-R98 VanDerWaalsContact OD1-CD 3.3Å; N26-R98 WeakPolarHBondContact OD1-CD 3.5Å; N26-R98 PolarHBondContact OD1-NH1 3.37Å
27N95Very high92.1Very high109 Ų10971.9 Ų71.958%0.58340%0.398SS*.Hα-helixtrans-59.5-47.2172.6177.8-104.5000111.1G23 A24 D29 Q30 T31G23-N27 WeakPolarHBondContact O-CB 3.32Å; G23-N27 PolarHBondContact O-N 3.48Å; A24-N27 WeakPolarHBondContact O-CB 3.36Å; A24-N27 PolarHBondContact O-N 2.89Å; N27-D29 PolarHBondContact O-N 3.18Å; N27-Q30 PolarHBondContact O-N 2.77Å; N27-T31 PolarHBondContact O-N 2.97Å; N27-T31 PolarHBondContact O-OG1 3.26Å; N27-T31 VanDerWaalsContact O-OG1 3.1Å
28M93.2Very high92Very high38 Ų3871.3 Ų71.319%0.18739%0.389CS..Hα-helixtrans-55.4-47.3173.8178-164.77300111.9A24 V25 Q30 T31 V32 Y91 L94 K95A24-M28 PolarHBondContact O-N 2.92Å; V25-M28 HydrophobicContact CG1-CE 3.79Å; V25-M28 WeakPolarHBondContact O-CB 3.34Å; V25-M28 PolarHBondContact O-N 3.38Å; M28-Q30 VanDerWaalsContact C-N 3.29Å; M28-Q30 PolarHBondContact O-N 2.96Å; M28-T31 PolarHBondContact O-N 3.21Å; M28-T31 VanDerWaalsContact O-N 3.16Å; M28-V32 HydrophobicContact CG-CG2 4.09Å; M28-V32 WeakPolarHBondContact O-CB 3.25Å; M28-V32 WeakPolarHBondContact O-CG2 3.35Å; M28-V32 PolarHBondContact O-N 3.08Å; M28-Y91 HydrophobicContact CE-CD2 3.5Å; M28-Y91 HydrophobicContact CE-CE2 3.81Å; M28-Y91 HydrophobicContact CE-CG 4.39Å; M28-Y91 HydrophobicContact CG-CD2 4.19Å; M28-Y91 HydrophobicContact SD-CD2 3.8Å; M28-Y91 HydrophobicContact SD-CE2 4.5Å; M28-L94 HydrophobicContact CE-CB 4.1Å; M28-L94 HydrophobicContact CE-CD1 4.37Å; M28-L94 HydrophobicContact SD-CD1 3.72Å; M28-K95 HydrophobicContact CE-CG 4.05Å
29D91.3Very high91.8Very high44 Ų4475.8 Ų75.824%0.23540%0.404CS..Hα-helixtrans-63.9-31.5-179.7-158.835.1000112.6V25 N26 N27 Y91 K95 R98V25-D29 WeakPolarHBondContact O-CB 3.47Å; V25-D29 PolarHBondContact O-N 2.9Å; N26-D29 PolarHBondContact O-N 2.98Å; N27-D29 PolarHBondContact O-N 3.18Å; D29-Y91 PolarHBondContact OD1-OH 3.46Å; D29-K95 IonicContact OD1-NZ 2.93Å; D29-K95 PolarHBondContact OD1-NZ 3.38Å; D29-K95 IonicContact OD2-NZ 3.83Å; D29-R98 IonicContact OD2-CZ 3.83Å; D29-R98 IonicContact OD2-NH1 3.93Å; D29-R98 PolarHBondContact OD2-NH1 2.95Å; D29-R98 IonicContact OD2-NH2 3.77Å; D29-R98 PolarHBondContact OD2-NH2 2.8Å
30Q92.5Very high91.3Very high153 Ų15379.8 Ų79.872%0.71543%0.425SS*.Hα-helixtrans-76.7-33.4173.7-66.4-57.7-48.600112.7N26 N27 M28N26-Q30 VanDerWaalsContact O-CG 3.31Å; N26-Q30 WeakPolarHBondContact O-CG 3.37Å; N26-Q30 PolarHBondContact O-N 3.24Å; N27-Q30 PolarHBondContact O-N 2.77Å; M28-Q30 VanDerWaalsContact C-N 3.29Å; M28-Q30 PolarHBondContact O-N 2.96Å
31T95.1Very high90.7Very high98 Ų9874.8 Ų74.860%0.60141%0.412SS*.Hα-helixtrans-81.2-37.5-179.2-58.60000112.3N27 M28 M33N27-T31 PolarHBondContact O-N 2.97Å; N27-T31 PolarHBondContact O-OG1 3.26Å; N27-T31 VanDerWaalsContact O-OG1 3.1Å; M28-T31 PolarHBondContact O-N 3.21Å; M28-T31 VanDerWaalsContact O-N 3.16Å; T31-M33 PolarHBondContact O-N 3.48Å
32V92Very high89.9Confident32 Ų3276 Ų7619%0.19443%0.425CS..  trans-81.382.1178.9-178.10000109.6M28 V34 P35 L38 Y91M28-V32 HydrophobicContact CG-CG2 4.09Å; M28-V32 WeakPolarHBondContact O-CB 3.25Å; M28-V32 WeakPolarHBondContact O-CG2 3.35Å; M28-V32 PolarHBondContact O-N 3.08Å; V32-V34 VanDerWaalsContact C-N 3.31Å; V32-V34 PolarHBondContact O-N 3.42Å; V32-P35 HydrophobicContact CG1-CB 4.21Å; V32-P35 HydrophobicContact CG1-CG 4.05Å; V32-L38 HydrophobicContact CG1-CD1 3.75Å; V32-L38 HydrophobicContact CG1-CG 4.37Å; V32-L38 HydrophobicContact CG2-CD1 4.27Å; V32-Y91 HydrophobicContact CB-CD2 4.41Å; V32-Y91 HydrophobicContact CB-CE2 3.97Å; V32-Y91 HydrophobicContact CG1-CD2 4.26Å; V32-Y91 HydrophobicContact CG1-CE2 3.95Å; V32-Y91 HydrophobicContact CG2-CD2 4.35Å; V32-Y91 HydrophobicContact CG2-CE2 4.34Å
33M90.1Very high88.7Confident168 Ų16878.1 Ų78.183%0.82844%0.437SS*.SBendtrans-69.8-27.4-178.3-59-163.779.300113.5T31T31-M33 PolarHBondContact O-N 3.48Å
34V90Very high86.9Confident71 Ų7180.1 Ų80.143%0.4345%0.449SS..  trans-135.586.8-178.2-1720000109.2V32 S36 L37V32-V34 VanDerWaalsContact C-N 3.31Å; V32-V34 PolarHBondContact O-N 3.42Å; V34-S36 WeakPolarHBondContact CG1-OG 3.28Å; V34-S36 PolarHBondContact O-N 2.86Å; V34-S36 VanDerWaalsContact O-N 3.12Å; V34-L37 HydrophobicContact CB-CD1 3.88Å; V34-L37 HydrophobicContact CB-CG 3.97Å; V34-L37 HydrophobicContact CG1-CD1 4.24Å; V34-L37 HydrophobicContact CG1-CG 3.85Å; V34-L37 WeakPolarHBondContact O-CB 3.36Å; V34-L37 PolarHBondContact O-N 3.2Å
35P88.7Confident85.1Confident36 Ų3683 Ų8323%0.23446%0.456CS..G310 helixtrans-59-27.6-175-27.535.8000114.4V32 L37 L38 Y88 Y91V32-P35 HydrophobicContact CG1-CB 4.21Å; V32-P35 HydrophobicContact CG1-CG 4.05Å; P35-L37 PolarHBondContact O-N 2.89Å; P35-L38 VanDerWaalsContact O-CB 3.31Å; P35-L38 WeakPolarHBondContact O-CB 3.34Å; P35-L38 PolarHBondContact O-N 3.35Å; P35-Y88 HydrophobicContact CB-CD2 4.18Å; P35-Y88 HydrophobicContact CB-CE2 3.96Å; P35-Y88 WeakPolarHBondContact O-CD2 3.45Å; P35-Y91 HydrophobicContact CB-CD1 4.11Å; P35-Y91 HydrophobicContact CB-CE1 3.54Å; P35-Y91 HydrophobicContact CG-CE1 3.73Å; P35-Y91 WeakPolarHBondContact CG-OH 3.32Å
36S88.2Confident82.8Confident68 Ų6889 Ų8948%0.47650%0.495SS..G310 helixtrans-63.9-20.1178.656.70000113.6V34 L38 R39V34-S36 WeakPolarHBondContact CG1-OG 3.28Å; V34-S36 PolarHBondContact O-N 2.86Å; V34-S36 VanDerWaalsContact O-N 3.12Å; S36-L38 PolarHBondContact O-N 2.79Å; S36-R39 WeakPolarHBondContact O-CB 3.28Å; S36-R39 PolarHBondContact O-N 2.97Å
37L89.4Confident80.5Confident129 Ų12988.2 Ų88.268%0.67550%0.502SS*.G310 helixtrans-69.5-14173.6-63.6179.5000113V34 P35 R39 V41V34-L37 HydrophobicContact CB-CD1 3.88Å; V34-L37 HydrophobicContact CB-CG 3.97Å; V34-L37 HydrophobicContact CG1-CD1 4.24Å; V34-L37 HydrophobicContact CG1-CG 3.85Å; V34-L37 WeakPolarHBondContact O-CB 3.36Å; V34-L37 PolarHBondContact O-N 3.2Å; P35-L37 PolarHBondContact O-N 2.89Å; L37-R39 VanDerWaalsContact C-N 3.35Å; L37-V41 WeakPolarHBondContact O-CG2 3.33Å
38L88.3Confident78.3Confident30 Ų3090.7 Ų90.716%0.15751%0.514CS..G310 helixtrans-87.6-6.3177-59.4-179.9000112.9V32 P35 S36 M87 Y88 Y91V32-L38 HydrophobicContact CG1-CD1 3.75Å; V32-L38 HydrophobicContact CG1-CG 4.37Å; V32-L38 HydrophobicContact CG2-CD1 4.27Å; P35-L38 VanDerWaalsContact O-CB 3.31Å; P35-L38 WeakPolarHBondContact O-CB 3.34Å; P35-L38 PolarHBondContact O-N 3.35Å; S36-L38 PolarHBondContact O-N 2.79Å; L38-M87 HydrophobicContact CB-CB 3.84Å; L38-M87 HydrophobicContact CD2-CB 4.05Å; L38-M87 HydrophobicContact CD2-CE 4.1Å; L38-M87 HydrophobicContact CD2-SD 4.11Å; L38-M87 HydrophobicContact CG-CB 4.36Å; L38-Y88 PolarHBondContact O-N 2.88Å; L38-Y88 VanDerWaalsContact O-N 3.16Å; L38-Y91 HydrophobicContact CD1-CD2 4.33Å; L38-Y91 HydrophobicContact CD1-CG 4.18Å
39R86Confident76.1Confident132 Ų13294.1 Ų94.150%0.49853%0.533SS..THydrogen-bonded Turntrans-70.1140.3175.1-69.4-173.8-179.1170.3-0109.4S36 L37 V41 D86 Y88S36-R39 WeakPolarHBondContact O-CB 3.28Å; S36-R39 PolarHBondContact O-N 2.97Å; L37-R39 VanDerWaalsContact C-N 3.35Å; R39-V41 PolarHBondContact O-N 2.8Å; R39-V41 VanDerWaalsContact O-N 3.08Å; R39-D86 WeakPolarHBondContact CA-OD2 3.23Å; R39-Y88 HydrophobicContact CG-CD1 4Å; R39-Y88 HydrophobicContact CG-CD2 4.37Å; R39-Y88 HydrophobicContact CG-CG 3.83Å
40D80.4Confident74Confident152 Ų15299.3 Ų99.381%0.81356%0.561SS**THydrogen-bonded Turntrans62.310.9-179.5-46.8-53.9000114.4P42 D86D40-P42 WeakPolarHBondContact O-CD 3.44Å; D40-D86 PolarHBondContact N-OD2 3.28Å
41V80.6Confident71.8Confident52 Ų5298.6 Ų98.632%0.31556%0.562SS.*  trans-89.1111.5171.1-173.90000107.9L37 R39 D86 M87L37-V41 WeakPolarHBondContact O-CG2 3.33Å; R39-V41 PolarHBondContact O-N 2.8Å; R39-V41 VanDerWaalsContact O-N 3.08Å; V41-D86 WeakPolarHBondContact O-CA 3.38Å; V41-M87 HydrophobicContact CB-CB 4.35Å; V41-M87 HydrophobicContact CB-CG 4.12Å; V41-M87 HydrophobicContact CB-SD 4.05Å; V41-M87 HydrophobicContact CG1-CG 3.99Å; V41-M87 HydrophobicContact CG1-SD 3.46Å; V41-M87 WeakPolarHBondContact CG1-SD 3.29Å; V41-M87 PolarHBondContact O-N 3.46Å
42P76.2Confident69.6Low79 Ų79101.1 Ų101.151%0.51358%0.577SS.*  trans-64.1142.4175.327.1-32.7000109.1D40 A44D40-P42 WeakPolarHBondContact O-CD 3.44Å; P42-A44 PolarHBondContact O-N 3.09Å
43L67.6Low67.2Low78 Ų78101.1 Ų101.141%0.40858%0.583SS.*  trans-68.890.1162.8-82.888.1000107.5D45 R85 M87 H90L43-D45 VanDerWaalsContact C-N 3.28Å; L43-D45 PolarHBondContact O-N 3.22Å; L43-R85 WeakPolarHBondContact CD1-O 3.47Å; L43-M87 HydrophobicContact CD1-CB 4.46Å; L43-M87 HydrophobicContact CD1-CG 4Å; L43-M87 HydrophobicContact CG-CG 4.14Å; L43-H90 VanDerWaalsContact CD1-CE1 3.49Å; L43-H90 WeakPolarHBondContact CD1-CE1 3.48Å; L43-H90 WeakPolarHBondContact CD1-ND1 3.25Å
44A57.5Low65.1Low83 Ų8399 Ų9969%0.68658%0.58SS**  trans-69.193.9163.300000107.1P42P42-A44 PolarHBondContact O-N 3.09Å
45D57.5Low63Low123 Ų123103.3 Ų103.366%0.65860%0.595SS**  trans175.399.9136.6-90.7-39.8000111.2L43 G47L43-D45 VanDerWaalsContact C-N 3.28Å; L43-D45 PolarHBondContact O-N 3.22Å; D45-G47 PolarHBondContact O-N 2.79Å
46P45.9Very low61.1Low130 Ų130108.1 Ų108.184%0.84462%0.624SS**THydrogen-bonded Turntrans-75.753161.133.6-34.9000111.3
47G44.9Very low58.6Low47 Ų47108.6 Ų108.649%0.48564%0.64SS.*THydrogen-bonded Turntrans-149.610.1-174.300000116.7D45 D49D45-G47 PolarHBondContact O-N 2.79Å; G47-D49 VanDerWaalsContact C-N 3.34Å
48L48Very low56.2Low162 Ų162106 Ų10685%0.84864%0.644SS**  trans-103.836.4171.3-54.4-172.2000111.5N50L48-N50 PolarHBondContact O-N 3.06Å
49D49.1Very low54.3Low109 Ų109111 Ų11158%0.58368%0.681SS**  trans-80104.716323.2-75.4000109.3G47G47-D49 VanDerWaalsContact C-N 3.34Å
50N47.1Very low52.3Low154 Ų154108.7 Ų108.782%0.82470%0.698SS**SBendtrans64.164.1143-49.7-61.4000118.3L48L48-N50 PolarHBondContact O-N 3.06Å
51D46.2Very low50.4Low138 Ų138104.9 Ų104.974%0.73870%0.695SS**  trans-148.6104.8145.7-158.2-114.8000111.7G53D51-G53 PolarHBondContact O-N 2.96Å; D51-G53 WeakPolarHBondContact OD1-CA 3.39Å; D51-G53 PolarHBondContact OD1-N 3.31Å
52V48.6Very low48.5Very low150 Ų150108.9 Ų108.991%0.90972%0.724SS**  trans-78.274.2158.2174.90000105.9
53G40.5Very low46.7Very low32 Ų32113 Ų11333%0.3374%0.741SS.*  trans-91.9111.2173.100000110.1D51 E55D51-G53 PolarHBondContact O-N 2.96Å; D51-G53 WeakPolarHBondContact OD1-CA 3.39Å; D51-G53 PolarHBondContact OD1-N 3.31Å; G53-E55 VanDerWaalsContact CA-OE1 3.3Å; G53-E55 WeakPolarHBondContact CA-OE1 3.19Å; G53-E55 PolarHBondContact O-N 2.83Å
54V47.6Very low45.7Very low124 Ų124117.4 Ų117.475%0.75276%0.759SS**  trans-81.995.8172171.50000107.2V56V54-V56 HydrophobicContact CG1-CG2 4.41Å
55E44.1Very low44.9Very low161 Ų161120.8 Ų120.875%0.75276%0.761SS**  trans-96.5113.8175.4-37.2-59.3114.200110.3G53G53-E55 VanDerWaalsContact CA-OE1 3.3Å; G53-E55 WeakPolarHBondContact CA-OE1 3.19Å; G53-E55 PolarHBondContact O-N 2.83Å
56V49.1Very low44.1Very low137 Ų137125.7 Ų125.783%0.8377%0.77SS**  trans-98.8130.8173.91690000109.4V54V54-V56 HydrophobicContact CG1-CG2 4.41Å
57G37.3Very low44.1Very low79 Ų79125.6 Ų125.681%0.81477%0.767SS**  trans89.2144.1165.700000113.5
58G38Very low44.6Very low74 Ų74128.7 Ų128.776%0.76378%0.779SS**  cis141.811415.200000107.8
59S48.4Very low44.8Very low135 Ų135127 Ų12794%0.94478%0.777SS**  trans56.5120.3157.5-69.20000121.7
60G44.2Very low44.9Very low83 Ų83128.4 Ų128.486%0.85679%0.79SS**  118.7130.9113.800000119.2
61G39.4Very low45.1Very low73 Ų73126.4 Ų126.475%0.75379%0.786SS**  trans101.3103.8152.900000115.3
62C41.4Very low44.6Very low136 Ų136127.7 Ų127.792%0.91979%0.792SS**  81.595.277.7-78.40000115.4
63L38.6Very low44.5Very low166 Ų166125.8 Ų125.887%0.86979%0.786SS**  trans23.8116.3134.1-146.9154.1000120.6
64E46.9Very low44.4Very low169 Ų169127.7 Ų127.779%0.7981%0.805SS**  trans162.5146.5142.2-96.2-171109.800105.8
65E40.6Very low44.3Very low155 Ų155126.6 Ų126.672%0.72480%0.803SS**  cis-162.5129.217.4-179.7179.195.400107
66R39.9Very low44.4Very low226 Ų226123.3 Ų123.385%0.85380%0.804SS**  trans12.8110.4146.3-178.4170.9157.3-112.41.1118.9
67T46.8Very low44.1Very low127 Ų127123.5 Ų123.578%0.77980%0.8SS**  trans-161.9133.4142.9-63.50000108.7
68P55.2Low44.4Very low113 Ų113123.2 Ų123.273%0.73480%0.797SS**  trans-79.6142.2-178.732.7-31.5000111.1
69P51.4Low44.7Very low125 Ų125123.9 Ų123.981%0.81279%0.79SS**  trans-89.5131.4-179.734-30.3000111.6
70V50.9Low44.9Very low139 Ų139126 Ų12684%0.84278%0.782SS**  trans-120.2123.1148.2-90.20000105.6
71P52.5Low45.1Very low113 Ų113130.5 Ų130.573%0.73478%0.779SS**  -136.9130.699.830.5-15.1000112.7S73P71-S73 PolarHBondContact O-N 3.4Å; P71-S73 VanDerWaalsContact O-N 3.08Å
72D35.2Very low45.5Very low165 Ų165129.2 Ų129.288%0.88276%0.761SS**  trans-54.7108.5156-110.5-36.6000108.3
73S47.2Very low46.1Very low110 Ų110127.6 Ų127.677%0.76975%0.749SS**  trans-135.574.7155.6-85.60000107.3P71 S75P71-S73 PolarHBondContact O-N 3.4Å; P71-S73 VanDerWaalsContact O-N 3.08Å; S73-S75 PolarHBondContact O-N 3.45Å
74G38.5Very low46.9Very low72 Ų72122.5 Ų122.574%0.74273%0.727SS**  trans-63.387.6160.900000109.3A76G74-A76 PolarHBondContact O-N 3.36Å
75S45.9Very low47.7Very low100 Ų100116.7 Ų116.770%0.69970%0.698SS**  trans-76.583.7160.8-167.10000107.5S73 N77S73-S75 PolarHBondContact O-N 3.45Å; S75-N77 PolarHBondContact O-N 2.91Å
76A44.5Very low49.7Very low93 Ų93110.8 Ų110.877%0.76967%0.671SS**  trans-72.366.2171.400000110.1G74G74-A76 PolarHBondContact O-N 3.36Å
77N44.2Very low51.8Low141 Ų141103.8 Ų103.875%0.75465%0.649SS**  trans-113.349.7168.1-69.8-6.2000109.2S75 S79S75-N77 PolarHBondContact O-N 2.91Å; N77-S79 VanDerWaalsContact C-N 3.31Å; N77-S79 PolarHBondContact O-N 3.45Å
78G42.6Very low53.7Low73 Ų73100.9 Ų100.975%0.75363%0.625SS**  trans-7587.6166.700000108.6F80G78-F80 PolarHBondContact O-N 2.92Å
79S44.9Very low55.2Low88 Ų8897.3 Ų97.362%0.61560%0.602SS**  trans-61.987.4171.159.80000109.3N77 F81 A82N77-S79 VanDerWaalsContact C-N 3.31Å; N77-S79 PolarHBondContact O-N 3.45Å; S79-F81 PolarHBondContact O-N 2.94Å; S79-A82 PolarHBondContact O-N 3.5Å; S79-A82 VanDerWaalsContact OG-CB 3.31Å; S79-A82 WeakPolarHBondContact OG-CB 3.23Å
80F53.1Low56.9Low178 Ų17893 Ų9378%0.78157%0.571SS**THydrogen-bonded Turntrans-63.30.7176.9-176-108.1000113.3G78G78-F80 PolarHBondContact O-N 2.92Å
81F48.1Very low58.8Low179 Ų17987.1 Ų87.179%0.78553%0.534SS*.THydrogen-bonded Turntrans-147.332.2177.8-77-76.3000113.3S79 P83S79-F81 PolarHBondContact O-N 2.94Å; F81-P83 VanDerWaalsContact O-CD 3.24Å; F81-P83 WeakPolarHBondContact O-CD 3.2Å
82A47.8Very low60.6Low46 Ų4685 Ų8538%0.3852%0.519SS..  trans-75.6118.8162.800000107.5S79 S84S79-A82 PolarHBondContact O-N 3.5Å; S79-A82 VanDerWaalsContact OG-CB 3.31Å; S79-A82 WeakPolarHBondContact OG-CB 3.23Å; A82-S84 PolarHBondContact O-N 2.86Å
83P53Low63.2Low102 Ų10277.5 Ų77.566%0.66248%0.479SS*.  trans-72.558.7161.834.3-31.7000107.1F81 R85F81-P83 VanDerWaalsContact O-CD 3.24Å; F81-P83 WeakPolarHBondContact O-CD 3.2Å; P83-R85 VanDerWaalsContact C-N 3.27Å; P83-R85 PolarHBondContact O-N 2.88Å
84S56.1Low65.4Low58 Ų5875 Ų7541%0.40646%0.456SS..  trans-61.3103.8160.952.80000103.9A82 D86A82-S84 PolarHBondContact O-N 2.86Å; S84-D86 PolarHBondContact O-N 2.91Å; S84-D86 VanDerWaalsContact O-N 3.08Å
85R64.3Low67.9Low47 Ų4774.3 Ų74.318%0.17743%0.433CS..  trans-29.7118.5-179.8-120.2-174.3151.4173.3-4109.4L43 P83 H90L43-R85 WeakPolarHBondContact CD1-O 3.47Å; P83-R85 VanDerWaalsContact C-N 3.27Å; P83-R85 PolarHBondContact O-N 2.88Å; R85-H90 VanDerWaalsContact CB-CE1 3.47Å; R85-H90 WeakPolarHBondContact CB-CE1 3.47Å; R85-H90 PolarHBondContact O-ND1 3.44Å
86D80.7Confident70Confident32 Ų3271.5 Ų71.517%0.17141%0.413CS..  trans-59.3162.5-177.963.71.7000111.1R39 D40 V41 S84 Y88 S89 H90R39-D86 WeakPolarHBondContact CA-OD2 3.23Å; D40-D86 PolarHBondContact N-OD2 3.28Å; V41-D86 WeakPolarHBondContact O-CA 3.38Å; S84-D86 PolarHBondContact O-N 2.91Å; S84-D86 VanDerWaalsContact O-N 3.08Å; D86-Y88 PolarHBondContact O-N 3.11Å; D86-Y88 VanDerWaalsContact O-N 3.1Å; D86-S89 WeakPolarHBondContact O-CB 2.96Å; D86-S89 PolarHBondContact O-N 2.68Å; D86-S89 VanDerWaalsContact OD1-CB 3.22Å; D86-S89 WeakPolarHBondContact OD1-CB 3.42Å; D86-S89 PolarHBondContact OD1-N 3.42Å; D86-S89 PolarHBondContact OD1-OG 2.79Å; D86-H90 PolarHBondContact O-N 3.32Å; D86-H90 PolarHBondContact O-ND1 3.37Å
87M84.1Confident72.1Confident79 Ų7967.8 Ų67.839%0.38938%0.38SS..Hα-helixtrans-54.3-31.6175.9-72.1-172.378.100112.1L38 V41 L43 H90 Y91L38-M87 HydrophobicContact CB-CB 3.84Å; L38-M87 HydrophobicContact CD2-CB 4.05Å; L38-M87 HydrophobicContact CD2-CE 4.1Å; L38-M87 HydrophobicContact CD2-SD 4.11Å; L38-M87 HydrophobicContact CG-CB 4.36Å; V41-M87 HydrophobicContact CB-CB 4.35Å; V41-M87 HydrophobicContact CB-CG 4.12Å; V41-M87 HydrophobicContact CB-SD 4.05Å; V41-M87 HydrophobicContact CG1-CG 3.99Å; V41-M87 HydrophobicContact CG1-SD 3.46Å; V41-M87 WeakPolarHBondContact CG1-SD 3.29Å; V41-M87 PolarHBondContact O-N 3.46Å; L43-M87 HydrophobicContact CD1-CB 4.46Å; L43-M87 HydrophobicContact CD1-CG 4Å; L43-M87 HydrophobicContact CG-CG 4.14Å; M87-H90 PolarHBondContact O-N 3.29Å; M87-Y91 WeakPolarHBondContact O-CB 3.43Å; M87-Y91 PolarHBondContact O-N 3.34Å
88Y88.4Confident74.4Confident66 Ų6662.6 Ų62.626%0.25935%0.35SS..Hα-helixtrans-63.2-40.8176.4-179-107.1000112.6P35 L38 R39 D86 Y91 V92P35-Y88 HydrophobicContact CB-CD2 4.18Å; P35-Y88 HydrophobicContact CB-CE2 3.96Å; P35-Y88 WeakPolarHBondContact O-CD2 3.45Å; L38-Y88 PolarHBondContact O-N 2.88Å; L38-Y88 VanDerWaalsContact O-N 3.16Å; R39-Y88 HydrophobicContact CG-CD1 4Å; R39-Y88 HydrophobicContact CG-CD2 4.37Å; R39-Y88 HydrophobicContact CG-CG 3.83Å; D86-Y88 PolarHBondContact O-N 3.11Å; D86-Y88 VanDerWaalsContact O-N 3.1Å; Y88-Y91 HydrophobicContact CD2-CD1 4.28Å; Y88-Y91 HydrophobicContact CE2-CD1 4.37Å; Y88-Y91 WeakPolarHBondContact O-CB 3.5Å; Y88-Y91 PolarHBondContact O-N 3.16Å; Y88-V92 HydrophobicContact CD1-CG2 4.26Å; Y88-V92 HydrophobicContact CD2-CG2 4.45Å; Y88-V92 HydrophobicContact CE1-CG2 3.85Å; Y88-V92 HydrophobicContact CE2-CG2 4.04Å; Y88-V92 WeakPolarHBondContact O-CG2 3.29Å; Y88-V92 PolarHBondContact O-N 3.15Å
89S86.3Confident76.6Confident37 Ų3762 Ų6226%0.25933%0.33SS..Hα-helixtrans-63.6-42.6178.7-63.60000112.1D86 V92 L93D86-S89 WeakPolarHBondContact O-CB 2.96Å; D86-S89 PolarHBondContact O-N 2.68Å; D86-S89 VanDerWaalsContact OD1-CB 3.22Å; D86-S89 WeakPolarHBondContact OD1-CB 3.42Å; D86-S89 PolarHBondContact OD1-N 3.42Å; D86-S89 PolarHBondContact OD1-OG 2.79Å; S89-V92 PolarHBondContact O-N 3.47Å; S89-L93 WeakPolarHBondContact O-CB 3.01Å; S89-L93 PolarHBondContact O-N 3.41Å
90H85.9Confident78.6Confident35 Ų3558.4 Ų58.416%0.16230%0.304CS..Hα-helixtrans-66.6-39.6173.3-71.284.8000112.1L43 R85 D86 M87 V92 L93 L94 E140L43-H90 VanDerWaalsContact CD1-CE1 3.49Å; L43-H90 WeakPolarHBondContact CD1-CE1 3.48Å; L43-H90 WeakPolarHBondContact CD1-ND1 3.25Å; R85-H90 VanDerWaalsContact CB-CE1 3.47Å; R85-H90 WeakPolarHBondContact CB-CE1 3.47Å; R85-H90 PolarHBondContact O-ND1 3.44Å; D86-H90 PolarHBondContact O-N 3.32Å; D86-H90 PolarHBondContact O-ND1 3.37Å; M87-H90 PolarHBondContact O-N 3.29Å; H90-V92 VanDerWaalsContact C-N 3.33Å; H90-V92 PolarHBondContact O-N 3.45Å; H90-L93 WeakPolarHBondContact O-CB 3.31Å; H90-L93 PolarHBondContact O-N 3.24Å; H90-L94 WeakPolarHBondContact O-CG 3.46Å; H90-L94 PolarHBondContact O-N 2.79Å; H90-E140 IonicContact CD2-OE2 3.67Å; H90-E140 WeakPolarHBondContact NE2-CG 3.49Å; H90-E140 IonicContact NE2-OE1 3.42Å; H90-E140 IonicContact NE2-OE2 2.66Å
91Y90.9Very high80.2Confident16 Ų1651.3 Ų51.36%0.06327%0.273CS..Hα-helixtrans-58.9-43.7174.1167.9-93.3000112M28 D29 V32 P35 L38 M87 Y88 K95M28-Y91 HydrophobicContact CE-CD2 3.5Å; M28-Y91 HydrophobicContact CE-CE2 3.81Å; M28-Y91 HydrophobicContact CE-CG 4.39Å; M28-Y91 HydrophobicContact CG-CD2 4.19Å; M28-Y91 HydrophobicContact SD-CD2 3.8Å; M28-Y91 HydrophobicContact SD-CE2 4.5Å; D29-Y91 PolarHBondContact OD1-OH 3.46Å; V32-Y91 HydrophobicContact CB-CD2 4.41Å; V32-Y91 HydrophobicContact CB-CE2 3.97Å; V32-Y91 HydrophobicContact CG1-CD2 4.26Å; V32-Y91 HydrophobicContact CG1-CE2 3.95Å; V32-Y91 HydrophobicContact CG2-CD2 4.35Å; V32-Y91 HydrophobicContact CG2-CE2 4.34Å; P35-Y91 HydrophobicContact CB-CD1 4.11Å; P35-Y91 HydrophobicContact CB-CE1 3.54Å; P35-Y91 HydrophobicContact CG-CE1 3.73Å; P35-Y91 WeakPolarHBondContact CG-OH 3.32Å; L38-Y91 HydrophobicContact CD1-CD2 4.33Å; L38-Y91 HydrophobicContact CD1-CG 4.18Å; M87-Y91 WeakPolarHBondContact O-CB 3.43Å; M87-Y91 PolarHBondContact O-N 3.34Å; Y88-Y91 HydrophobicContact CD2-CD1 4.28Å; Y88-Y91 HydrophobicContact CE2-CD1 4.37Å; Y88-Y91 WeakPolarHBondContact O-CB 3.5Å; Y88-Y91 PolarHBondContact O-N 3.16Å; Y91-K95 HydrophobicContact CD1-CD 4.13Å; Y91-K95 HydrophobicContact CD2-CD 4.35Å; Y91-K95 HydrophobicContact CE1-CD 3.49Å; Y91-K95 VanDerWaalsContact CE1-CD 3.49Å; Y91-K95 HydrophobicContact CE2-CD 3.72Å; Y91-K95 WeakPolarHBondContact O-CG 3.46Å; Y91-K95 PolarHBondContact O-N 2.97Å; Y91-K95 WeakPolarHBondContact OH-CD 3.3Å; Y91-K95 PolarHBondContact OH-NZ 2.89Å
92V90.5Very high81.8Confident68 Ų6848.1 Ų48.141%0.41226%0.261SS..Hα-helixtrans-66.5-43.2176.6173.30000111.1Y88 S89 H90 K95 S96Y88-V92 HydrophobicContact CD1-CG2 4.26Å; Y88-V92 HydrophobicContact CD2-CG2 4.45Å; Y88-V92 HydrophobicContact CE1-CG2 3.85Å; Y88-V92 HydrophobicContact CE2-CG2 4.04Å; Y88-V92 WeakPolarHBondContact O-CG2 3.29Å; Y88-V92 PolarHBondContact O-N 3.15Å; S89-V92 PolarHBondContact O-N 3.47Å; H90-V92 VanDerWaalsContact C-N 3.33Å; H90-V92 PolarHBondContact O-N 3.45Å; V92-K95 PolarHBondContact O-N 2.9Å; V92-S96 PolarHBondContact O-N 3.45Å
93L90.4Very high83.3Confident8 Ų854.2 Ų54.24%0.04227%0.274CS..Hα-helixtrans-54.6-54.4176.3-179.668.5000111.9S89 H90 K95 S96 I97 E140 E144S89-L93 WeakPolarHBondContact O-CB 3.01Å; S89-L93 PolarHBondContact O-N 3.41Å; H90-L93 WeakPolarHBondContact O-CB 3.31Å; H90-L93 PolarHBondContact O-N 3.24Å; L93-K95 VanDerWaalsContact C-N 3.25Å; L93-K95 PolarHBondContact O-N 3.45Å; L93-S96 VanDerWaalsContact O-CB 3.3Å; L93-S96 WeakPolarHBondContact O-CB 3.45Å; L93-S96 PolarHBondContact O-N 3.29Å; L93-S96 VanDerWaalsContact O-N 3.08Å; L93-I97 HydrophobicContact CD1-CD1 4.21Å; L93-I97 HydrophobicContact CG-CD1 4.05Å; L93-I97 WeakPolarHBondContact O-CG1 3.3Å; L93-I97 PolarHBondContact O-N 3.27Å; L93-E140 HydrophobicContact CD2-CB 4.41Å; L93-E144 HydrophobicContact CD1-CB 3.61Å; L93-E144 HydrophobicContact CD1-CG 3.97Å; L93-E144 WeakPolarHBondContact CD1-OE2 3.46Å
94L92.7Very high84.3Confident58 Ų5850.6 Ų50.630%0.30426%0.256SS..Hα-helixtrans-59.6-38.5-179.6-69.5171.2000111.8F21 V25 M28 H90 R98F21-L94 HydrophobicContact CE2-CD2 3.72Å; F21-L94 HydrophobicContact CZ-CD2 4.16Å; V25-L94 HydrophobicContact CG1-CB 4.45Å; V25-L94 HydrophobicContact CG2-CB 4.13Å; M28-L94 HydrophobicContact CE-CB 4.1Å; M28-L94 HydrophobicContact CE-CD1 4.37Å; M28-L94 HydrophobicContact SD-CD1 3.72Å; H90-L94 WeakPolarHBondContact O-CG 3.46Å; H90-L94 PolarHBondContact O-N 2.79Å; L94-R98 WeakPolarHBondContact O-CB 3.13Å; L94-R98 PolarHBondContact O-N 3.37Å
95K91.7Very high84.9Confident56 Ų5649 Ų4924%0.24324%0.243CC..Hα-helixtrans-68.2-38.1175.6-75-176.766143.20112.8V25 M28 D29 Y91 V92 L93 N99V25-K95 HydrophobicContact CG1-CG 4.33Å; M28-K95 HydrophobicContact CE-CG 4.05Å; D29-K95 IonicContact OD1-NZ 2.93Å; D29-K95 PolarHBondContact OD1-NZ 3.38Å; D29-K95 IonicContact OD2-NZ 3.83Å; Y91-K95 HydrophobicContact CD1-CD 4.13Å; Y91-K95 HydrophobicContact CD2-CD 4.35Å; Y91-K95 HydrophobicContact CE1-CD 3.49Å; Y91-K95 VanDerWaalsContact CE1-CD 3.49Å; Y91-K95 HydrophobicContact CE2-CD 3.72Å; Y91-K95 WeakPolarHBondContact O-CG 3.46Å; Y91-K95 PolarHBondContact O-N 2.97Å; Y91-K95 WeakPolarHBondContact OH-CD 3.3Å; Y91-K95 PolarHBondContact OH-NZ 2.89Å; V92-K95 PolarHBondContact O-N 2.9Å; L93-K95 VanDerWaalsContact C-N 3.25Å; L93-K95 PolarHBondContact O-N 3.45Å; K95-N99 WeakPolarHBondContact O-CB 3.34Å; K95-N99 PolarHBondContact O-N 3.42Å
96S89.4Confident84.6Confident42 Ų4253.9 Ų53.929%0.29427%0.272SS..Hα-helixtrans-59.2-56.1173.9-164.90000110.1V92 L93 R98 N99 D100V92-S96 PolarHBondContact O-N 3.45Å; L93-S96 VanDerWaalsContact O-CB 3.3Å; L93-S96 WeakPolarHBondContact O-CB 3.45Å; L93-S96 PolarHBondContact O-N 3.29Å; L93-S96 VanDerWaalsContact O-N 3.08Å; S96-R98 VanDerWaalsContact C-N 3.33Å; S96-R98 PolarHBondContact O-N 3.23Å; S96-N99 WeakPolarHBondContact O-CA 3.32Å; S96-N99 VanDerWaalsContact O-CB 3.32Å; S96-N99 WeakPolarHBondContact O-CB 3.43Å; S96-N99 PolarHBondContact O-N 3.43Å; S96-D100 PolarHBondContact O-N 3.36Å
97I89.7Confident83.3Confident15 Ų1559.7 Ų59.78%0.07730%0.298CS..Hα-helixtrans-57.7-43.1179.2-65.7171.9000111.5F21 L93 N99 D100 I101 F147F21-I97 HydrophobicContact CE1-CB 4.29Å; F21-I97 HydrophobicContact CE1-CG2 3.66Å; F21-I97 HydrophobicContact CE2-CG2 4.41Å; F21-I97 HydrophobicContact CZ-CB 3.92Å; F21-I97 HydrophobicContact CZ-CG2 3.52Å; L93-I97 HydrophobicContact CD1-CD1 4.21Å; L93-I97 HydrophobicContact CG-CD1 4.05Å; L93-I97 WeakPolarHBondContact O-CG1 3.3Å; L93-I97 PolarHBondContact O-N 3.27Å; I97-N99 VanDerWaalsContact C-N 3.34Å; I97-N99 PolarHBondContact O-N 2.99Å; I97-D100 PolarHBondContact O-N 3.17Å; I97-I101 HydrophobicContact CG2-CD1 4.08Å; I97-I101 VanDerWaalsContact O-CG1 3.3Å; I97-I101 WeakPolarHBondContact O-CG1 3.41Å; I97-I101 PolarHBondContact O-N 2.97Å; I97-F147 HydrophobicContact CG1-CD1 4.41Å; I97-F147 HydrophobicContact CG2-CD1 3.77Å; I97-F147 HydrophobicContact CG2-CD2 4.37Å; I97-F147 HydrophobicContact CG2-CE1 3.74Å; I97-F147 HydrophobicContact CG2-CE2 4.34Å; I97-F147 HydrophobicContact CG2-CG 4.12Å; I97-F147 HydrophobicContact CG2-CZ 4.07Å
98R91.4Very high81.5Confident32 Ų3262.4 Ų62.412%0.12131%0.31CS..Hα-helixtrans-58.9-46.2174.4179.1-16663.2-177.50.5111.3F21 V25 N26 D29 L94 S96 D100 I101 E102F21-R98 HydrophobicContact CE1-CB 4.08Å; V25-R98 HydrophobicContact CB-CB 4.29Å; V25-R98 HydrophobicContact CB-CG 4.45Å; V25-R98 HydrophobicContact CG1-CB 3.86Å; V25-R98 HydrophobicContact CG1-CG 4.22Å; N26-R98 VanDerWaalsContact OD1-CD 3.3Å; N26-R98 WeakPolarHBondContact OD1-CD 3.5Å; N26-R98 PolarHBondContact OD1-NH1 3.37Å; D29-R98 IonicContact OD2-CZ 3.83Å; D29-R98 IonicContact OD2-NH1 3.93Å; D29-R98 PolarHBondContact OD2-NH1 2.95Å; D29-R98 IonicContact OD2-NH2 3.77Å; D29-R98 PolarHBondContact OD2-NH2 2.8Å; L94-R98 WeakPolarHBondContact O-CB 3.13Å; L94-R98 PolarHBondContact O-N 3.37Å; S96-R98 VanDerWaalsContact C-N 3.33Å; S96-R98 PolarHBondContact O-N 3.23Å; R98-D100 VanDerWaalsContact C-N 3.33Å; R98-D100 PolarHBondContact O-N 3.1Å; R98-I101 WeakPolarHBondContact O-CB 3.42Å; R98-I101 PolarHBondContact O-N 3.47Å; R98-E102 PolarHBondContact O-N 3.25Å
99N88.8Confident79.5Confident60 Ų6064.2 Ų64.232%0.32133%0.33SS..Hα-helixtrans-62.2-41.4180-175.369.5000111.5K95 S96 I97 I101 E102 W103K95-N99 WeakPolarHBondContact O-CB 3.34Å; K95-N99 PolarHBondContact O-N 3.42Å; S96-N99 WeakPolarHBondContact O-CA 3.32Å; S96-N99 VanDerWaalsContact O-CB 3.32Å; S96-N99 WeakPolarHBondContact O-CB 3.43Å; S96-N99 PolarHBondContact O-N 3.43Å; I97-N99 VanDerWaalsContact C-N 3.34Å; I97-N99 PolarHBondContact O-N 2.99Å; N99-I101 VanDerWaalsContact C-N 3.3Å; N99-I101 PolarHBondContact O-N 3Å; N99-E102 PolarHBondContact O-N 2.83Å; N99-W103 WeakPolarHBondContact O-CB 3.38Å; N99-W103 PolarHBondContact O-N 2.96Å; N99-W103 VanDerWaalsContact OD1-CD1 3.24Å
100D87Confident77.8Confident13 Ų1367.9 Ų67.97%0.0735%0.352CS..Hα-helixtrans-67.6-28.5176.1-69.2-50.1000113.3S96 I97 R98 G104 V105 H148S96-D100 PolarHBondContact O-N 3.36Å; I97-D100 PolarHBondContact O-N 3.17Å; R98-D100 VanDerWaalsContact C-N 3.33Å; R98-D100 PolarHBondContact O-N 3.1Å; D100-G104 CarbonylContact O-C 3.27Å; D100-G104 VanDerWaalsContact O-C 3.27Å; D100-G104 WeakPolarHBondContact O-CA 3.27Å; D100-G104 PolarHBondContact O-N 3.49Å; D100-V105 HydrophobicContact CB-CG2 4.42Å; D100-H148 IonicContact OD2-CD2 3.95Å; D100-H148 IonicContact OD2-CE1 3.64Å; D100-H148 IonicContact OD2-NE2 2.9Å; D100-H148 PolarHBondContact OD2-NE2 3.04Å
101I87Confident76.3Confident28 Ų2871 Ų7114%0.14438%0.376CS..Hα-helixtrans-69.7-47.3171.1-71.6165.7000111.4M18 F21 I22 I97 R98 N99 F147M18-I101 HydrophobicContact CE-CB 4.27Å; M18-I101 HydrophobicContact CE-CG1 3.94Å; M18-I101 HydrophobicContact CE-CG2 3.55Å; F21-I101 HydrophobicContact CD1-CD1 3.49Å; F21-I101 VanDerWaalsContact CD1-CD1 3.49Å; F21-I101 HydrophobicContact CE1-CD1 3.64Å; I22-I101 HydrophobicContact CD1-CG2 3.61Å; I22-I101 HydrophobicContact CG1-CG2 4.05Å; I97-I101 HydrophobicContact CG2-CD1 4.08Å; I97-I101 VanDerWaalsContact O-CG1 3.3Å; I97-I101 WeakPolarHBondContact O-CG1 3.41Å; I97-I101 PolarHBondContact O-N 2.97Å; R98-I101 WeakPolarHBondContact O-CB 3.42Å; R98-I101 PolarHBondContact O-N 3.47Å; N99-I101 VanDerWaalsContact C-N 3.3Å; N99-I101 PolarHBondContact O-N 3Å; I101-F147 HydrophobicContact CD1-CE1 4.41Å; I101-F147 HydrophobicContact CD1-CE2 4.24Å; I101-F147 HydrophobicContact CD1-CZ 3.68Å; I101-F147 HydrophobicContact CG1-CE1 3.94Å; I101-F147 HydrophobicContact CG1-CE2 4.33Å; I101-F147 HydrophobicContact CG1-CZ 3.36Å
102E82.3Confident74.4Confident113 Ų11375.9 Ų75.953%0.52841%0.409SS..Hα-helixtrans-74.6-40.5-172.6-169.5174.2161.700112.2R98 N99R98-E102 PolarHBondContact O-N 3.25Å; N99-E102 PolarHBondContact O-N 2.83Å
103W79Confident72.4Confident174 Ų17478.2 Ų78.266%0.65944%0.436SS*.Hα-helixtrans-109.8-5.1-174.6-60.8102.9000113.8N99N99-W103 WeakPolarHBondContact O-CB 3.38Å; N99-W103 PolarHBondContact O-N 2.96Å; N99-W103 VanDerWaalsContact OD1-CD1 3.24Å
104G74.5Confident70.6Confident26 Ų2681.1 Ų81.127%0.26847%0.467SS..  trans77.7156.6-172.700000112.4D100 L106D100-G104 CarbonylContact O-C 3.27Å; D100-G104 VanDerWaalsContact O-C 3.27Å; D100-G104 WeakPolarHBondContact O-CA 3.27Å; D100-G104 PolarHBondContact O-N 3.49Å; G104-L106 PolarHBondContact O-N 3.35Å
105V66.9Low68.6Low25 Ų2583.3 Ų83.315%0.15249%0.488CS..THydrogen-bonded Turntrans-6922.8178.2-1490000114D100 H107 L151 R152D100-V105 HydrophobicContact CB-CG2 4.42Å; V105-H107 PolarHBondContact O-N 2.96Å; V105-L151 HydrophobicContact CG2-CB 4.22Å; V105-L151 HydrophobicContact CG2-CD2 3.43Å; V105-L151 VanDerWaalsContact CG2-CD2 3.43Å; V105-L151 HydrophobicContact CG2-CG 4.24Å; V105-R152 HydrophobicContact CB-CG 4.29Å; V105-R152 VanDerWaalsContact CG1-CZ 3.45Å; V105-R152 VanDerWaalsContact CG1-NH2 3.27Å; V105-R152 HydrophobicContact CG2-CG 4.12Å
106L58.2Low66.4Low149 Ų14989.4 Ų89.478%0.7852%0.517SS*.THydrogen-bonded Turntrans-82.20.1-177.6-72.6173000113G104G104-L106 PolarHBondContact O-N 3.35Å
107H53.5Low64.2Low153 Ų15396.8 Ų96.871%0.70855%0.547SS*.  trans-99.330.3-175.4-117.6-160.9000114.8V105 P109V105-H107 PolarHBondContact O-N 2.96Å; H107-P109 VanDerWaalsContact O-CD 3.23Å; H107-P109 WeakPolarHBondContact O-CD 3.24Å
108Q47.6Very low61.6Low137 Ų137100 Ų10064%0.6458%0.584SS**  trans-93.6104.1161.1-161.5170.9-9.400108.3
109P44.9Very low59.1Low104 Ų104103.9 Ų103.968%0.67562%0.616SS**PPolyproline II helixtrans-57.5137.6170.423.5-30.7000108.1H107H107-P109 VanDerWaalsContact O-CD 3.23Å; H107-P109 WeakPolarHBondContact O-CD 3.24Å
110P50.5Low56.7Low114 Ų114105.1 Ų105.174%0.7463%0.634SS**PPolyproline II helixtrans-55.4137.6177.423.4-32.3000108.9
111P55.2Low55.2Low100 Ų100116.4 Ų116.465%0.64968%0.676SS**PPolyproline II helixtrans-54142.6172.723.6-32000108.6A113P111-A113 PolarHBondContact O-N 2.95Å; P111-A113 VanDerWaalsContact O-N 3.09Å
112P51Low53.1Low119 Ų119123.4 Ų123.477%0.77371%0.705SS**PPolyproline II helixtrans-52.4123.6-178.121.4-32000109.1G114P112-G114 VanDerWaalsContact C-N 3.32Å; P112-G114 PolarHBondContact O-N 2.93Å
113A49.4Very low51.4Low116 Ų116124.1 Ų124.196%0.95972%0.723SS**SBendtrans-57.991.3-179.500000109.9P111P111-A113 PolarHBondContact O-N 2.95Å; P111-A113 VanDerWaalsContact O-N 3.09Å
114G51.5Low49.6Very low69 Ų69124 Ų12471%0.71173%0.727SS**  trans-168.9-6.3-175.500000115.6P112P112-G114 VanDerWaalsContact C-N 3.32Å; P112-G114 PolarHBondContact O-N 2.93Å
115S50.3Low48.1Very low104 Ų104129.3 Ų129.373%0.72775%0.749SS**  trans-107.489.4170.239.30000110.1E117S115-E117 PolarHBondContact O-N 3.43Å
116E45.9Very low47.4Very low185 Ų185136.4 Ų136.486%0.86479%0.785SS**  trans-58.7106.3154.256.8-164.1119.600109.3
117E44.4Very low46.9Very low197 Ų197137.1 Ų137.192%0.92179%0.788SS**  trans-174.3128.8138.1-106.5-175.8140.900109.8S115S115-E117 PolarHBondContact O-N 3.43Å
118G34.9Very low47Very low82 Ų82136.1 Ų136.185%0.84579%0.793SS**  trans-71.9141.6-168.100000113.6
119S39Very low46.7Very low114 Ų114136 Ų13680%0.79780%0.797SS**  trans-147.7101.8137.5-164.80000109.2W121S119-W121 PolarHBondContact O-N 3.48Å
120A38Very low46.8Very low86 Ų86140 Ų14071%0.71181%0.812SS**  trans-57.9100.4163.600000108.5K122A120-K122 PolarHBondContact O-N 3.21Å
121W54.4Low46.3Very low250 Ų250137.1 Ų137.195%0.94780%0.802SS**  trans-57.679.3158.856.1-14.4000110.4S119S119-W121 PolarHBondContact O-N 3.48Å
122K43.2Very low45.6Very low174 Ų174139.9 Ų139.976%0.75781%0.806SS**  trans-76.1116.8170.6-171.5174.8175179.70106A120 K124A120-K122 PolarHBondContact O-N 3.21Å; K122-K124 PolarHBondContact O-N 2.89Å
123S46.6Very low45.3Very low129 Ų129141 Ų14190%0.90281%0.805SS**  trans-55.498.5173.2-53.30000111.3
124K42.1Very low44.6Very low170 Ų170145.1 Ų145.174%0.73980%0.804SS**  trans-178.898.1168.1-141.9169175.3175.40102.6K122K122-K124 PolarHBondContact O-N 2.89Å
125D41.6Very low44.2Very low138 Ų138143.8 Ų143.874%0.73879%0.79SS**  -153.3124.570.4-71.6-69.7000110.1
126I53.3Low44.1Very low175 Ų175144.5 Ų144.590%0.89780%0.803SS**  trans-82.3122.9162-64.9169.5000104.3
127L47.2Very low44.5Very low163 Ų163139 Ų13985%0.85378%0.779SS**  trans95.978.8171.6-166.271.9000118
128V56.4Low45.1Very low132 Ų132132.5 Ų132.580%0.876%0.759SS**  trans-171.8131.3151.3-119.10000104.5
129D40Very low46.3Very low135 Ų135130.6 Ų130.672%0.72274%0.74SS**  cis-169.1104.416.4-177.921.2000105.4G131D129-G131 VanDerWaalsContact C-N 3.28Å; D129-G131 PolarHBondContact O-N 3.29Å
130L48.4Very low47.4Very low189 Ų189128.4 Ų128.499%0.9972%0.717SS**SBendtrans-88.954.8-176.1-174.561.4000111.1
131G39.9Very low48.7Very low53 Ų53130.3 Ų130.355%0.54671%0.711SS.*  trans-164.837.3-169.700000118.1D129D129-G131 VanDerWaalsContact C-N 3.28Å; D129-G131 PolarHBondContact O-N 3.29Å
132H40.5Very low50Low158 Ų158122.3 Ų122.373%0.73169%0.687SS**  trans-165.998163-148.860000113
133L43.5Very low51.9Low141 Ų141118.1 Ų118.174%0.73867%0.672SS**  162.5115.5118.6-88.8157000110.7G135L133-G135 PolarHBondContact O-N 3Å; L133-G135 VanDerWaalsContact O-N 3.11Å
134E36.4Very low53.7Low204 Ų204114.4 Ų114.495%0.95364%0.64SS**  trans-42.2111.1157.9-72.616389.800110.8
135G41.4Very low55.7Low40 Ų40111.8 Ų111.841%0.41263%0.631SS.*  trans-15694.416500000106.1L133 D137 A138L133-G135 PolarHBondContact O-N 3Å; L133-G135 VanDerWaalsContact O-N 3.11Å; G135-D137 PolarHBondContact O-N 3.45Å; G135-A138 PolarHBondContact O-N 3.02Å
136A49.8Very low57.8Low120 Ų120109 Ų10999%0.99261%0.614SS**THydrogen-bonded Turntrans-59.10-174.500000114.9
137D54.1Low59.4Low69 Ų69103.2 Ų103.237%0.36958%0.582SS.*THydrogen-bonded Turntrans-110.9-14.6178.9-163.944.9000112.9G135G135-D137 PolarHBondContact O-N 3.45Å
138A57.5Low61.2Low61 Ų6196.3 Ų96.350%0.50455%0.545SS..Hα-helixtrans-81.2-14-178.600000113.9G135 E140 D142G135-A138 PolarHBondContact O-N 3.02Å; A138-E140 PolarHBondContact O-N 2.95Å; A138-D142 WeakPolarHBondContact O-CB 3.32Å; A138-D142 PolarHBondContact O-N 3.2Å
139G59.5Low62.7Low42 Ų4297.9 Ų97.943%0.43354%0.538SS..Hα-helixtrans-66.5-36.1-175.500000113.4L143G139-L143 WeakPolarHBondContact O-CG 3.47Å; G139-L143 PolarHBondContact O-N 3.44Å; G139-L143 VanDerWaalsContact O-N 3.15Å
140E62.8Low65.1Low68 Ų6897.1 Ų97.132%0.31853%0.53SS..Hα-helixtrans-82.5-33.8-171.2-60.7-67.6153.200113H90 L93 A138 D142 L143 E144H90-E140 IonicContact CD2-OE2 3.67Å; H90-E140 WeakPolarHBondContact NE2-CG 3.49Å; H90-E140 IonicContact NE2-OE1 3.42Å; H90-E140 IonicContact NE2-OE2 2.66Å; L93-E140 HydrophobicContact CD2-CB 4.41Å; A138-E140 PolarHBondContact O-N 2.95Å; E140-D142 VanDerWaalsContact C-N 3.3Å; E140-L143 PolarHBondContact O-N 3.3Å; E140-E144 PolarHBondContact O-N 3.28Å
141E64.8Low67Low126 Ų12689.4 Ų89.459%0.58949%0.489SS*.Hα-helixtrans-68-36171.1-65.8-171.8166.100110.9L143 E144 Q145E141-L143 VanDerWaalsContact C-N 3.32Å; E141-L143 PolarHBondContact O-N 2.96Å; E141-E144 PolarHBondContact O-N 3.49Å; E141-Q145 PolarHBondContact O-N 3.44Å; E141-Q145 VanDerWaalsContact O-N 3.16Å
142D81.6Confident69.3Low81 Ų8191.4 Ų91.443%0.43348%0.481SS..Hα-helixtrans-63.1-38.8174.6-169.729.8000111.2A138 E140 E144 Q145 Q146A138-D142 WeakPolarHBondContact O-CB 3.32Å; A138-D142 PolarHBondContact O-N 3.2Å; E140-D142 VanDerWaalsContact C-N 3.3Å; D142-E144 PolarHBondContact O-N 2.95Å; D142-Q145 PolarHBondContact O-N 3.48Å; D142-Q146 VanDerWaalsContact O-CB 3.23Å; D142-Q146 WeakPolarHBondContact O-CB 3.3Å; D142-Q146 WeakPolarHBondContact O-CG 3.31Å; D142-Q146 PolarHBondContact O-N 2.86Å; D142-Q146 PolarHBondContact OD1-NE2 2.89Å; D142-Q146 PolarHBondContact OD2-NE2 2.99Å
143L83.1Confident71.6Confident87 Ų8785.5 Ų85.546%0.45546%0.462SS..Hα-helixtrans-58.8-44.7175.4-70.6178.9000113.2G139 E140 E141 F147G139-L143 WeakPolarHBondContact O-CG 3.47Å; G139-L143 PolarHBondContact O-N 3.44Å; G139-L143 VanDerWaalsContact O-N 3.15Å; E140-L143 PolarHBondContact O-N 3.3Å; E141-L143 VanDerWaalsContact C-N 3.32Å; E141-L143 PolarHBondContact O-N 2.96Å; L143-F147 WeakPolarHBondContact O-CB 3.41Å; L143-F147 PolarHBondContact O-N 3.27Å
144E83.6Confident73.9Confident50 Ų5082.1 Ų82.123%0.23445%0.445CS..Hα-helixtrans-63.4-47.4177.7-174.5174.1-17700111.4L93 E140 E141 D142 F147 H148L93-E144 HydrophobicContact CD1-CB 3.61Å; L93-E144 HydrophobicContact CD1-CG 3.97Å; L93-E144 WeakPolarHBondContact CD1-OE2 3.46Å; E140-E144 PolarHBondContact O-N 3.28Å; E141-E144 PolarHBondContact O-N 3.49Å; D142-E144 PolarHBondContact O-N 2.95Å; E144-F147 PolarHBondContact O-N 2.98Å; E144-H148 VanDerWaalsContact CG-CE1 3.46Å; E144-H148 WeakPolarHBondContact CG-CE1 3.38Å; E144-H148 WeakPolarHBondContact O-CB 3.44Å; E144-H148 VanDerWaalsContact O-CG 3.31Å; E144-H148 PolarHBondContact O-N 2.58Å; E144-H148 PolarHBondContact O-ND1 3.39Å; E144-H148 IonicContact OE1-CE1 3.45Å; E144-H148 PolarHBondContact OE1-CE1 3.19Å
145Q84Confident76.3Confident115 Ų11577.9 Ų77.954%0.53742%0.424SS..Hα-helixtrans-65.9-42.3-178.6-175.957.53700111.6E141 D142 H148 Y149E141-Q145 PolarHBondContact O-N 3.44Å; E141-Q145 VanDerWaalsContact O-N 3.16Å; D142-Q145 PolarHBondContact O-N 3.48Å; Q145-H148 PolarHBondContact O-N 2.98Å; Q145-Y149 WeakPolarHBondContact O-CB 3.22Å; Q145-Y149 PolarHBondContact O-N 2.87Å
146Q86.5Confident78.6Confident81 Ų8179.2 Ų79.238%0.37943%0.425SS..Hα-helixtrans-60.6-46.7172.7-75.5-177.542.900111.1D142 H148 Y149 H150D142-Q146 VanDerWaalsContact O-CB 3.23Å; D142-Q146 WeakPolarHBondContact O-CB 3.3Å; D142-Q146 WeakPolarHBondContact O-CG 3.31Å; D142-Q146 PolarHBondContact O-N 2.86Å; D142-Q146 PolarHBondContact OD1-NE2 2.89Å; D142-Q146 PolarHBondContact OD2-NE2 2.99Å; Q146-H148 PolarHBondContact O-N 3.25Å; Q146-Y149 WeakPolarHBondContact O-CB 3.14Å; Q146-Y149 PolarHBondContact O-N 3.08Å; Q146-H150 PolarHBondContact O-CD2 3Å; Q146-H150 PolarHBondContact O-N 3.06Å
147F86.3Confident80.7Confident53 Ų5377.2 Ų77.223%0.23240%0.4CS..Hα-helixtrans-58.5-48.5178.2-180-97.5000111.2I97 I101 L143 E144 Y149 H150 L151I97-F147 HydrophobicContact CG1-CD1 4.41Å; I97-F147 HydrophobicContact CG2-CD1 3.77Å; I97-F147 HydrophobicContact CG2-CD2 4.37Å; I97-F147 HydrophobicContact CG2-CE1 3.74Å; I97-F147 HydrophobicContact CG2-CE2 4.34Å; I97-F147 HydrophobicContact CG2-CG 4.12Å; I97-F147 HydrophobicContact CG2-CZ 4.07Å; I101-F147 HydrophobicContact CD1-CE1 4.41Å; I101-F147 HydrophobicContact CD1-CE2 4.24Å; I101-F147 HydrophobicContact CD1-CZ 3.68Å; I101-F147 HydrophobicContact CG1-CE1 3.94Å; I101-F147 HydrophobicContact CG1-CE2 4.33Å; I101-F147 HydrophobicContact CG1-CZ 3.36Å; L143-F147 WeakPolarHBondContact O-CB 3.41Å; L143-F147 PolarHBondContact O-N 3.27Å; E144-F147 PolarHBondContact O-N 2.98Å; F147-Y149 PolarHBondContact O-N 3.31Å; F147-H150 PolarHBondContact O-N 2.99Å; F147-L151 HydrophobicContact CE1-CB 4.41Å; F147-L151 HydrophobicContact CE1-CD1 4.45Å; F147-L151 HydrophobicContact CE1-CD2 4Å; F147-L151 HydrophobicContact CZ-CD1 3.91Å; F147-L151 HydrophobicContact CZ-CD2 4.22Å; F147-L151 HydrophobicContact CZ-CG 4.45Å; F147-L151 WeakPolarHBondContact O-CB 3.44Å; F147-L151 PolarHBondContact O-N 3.48Å
148H85.7Confident82.6Confident17 Ų1778.2 Ų78.28%0.07941%0.405CS..Hα-helixtrans-61.9-40.7176.6-72158.8000113.1D100 E144 Q145 Q146 L151 R152D100-H148 IonicContact OD2-CD2 3.95Å; D100-H148 IonicContact OD2-CE1 3.64Å; D100-H148 IonicContact OD2-NE2 2.9Å; D100-H148 PolarHBondContact OD2-NE2 3.04Å; E144-H148 VanDerWaalsContact CG-CE1 3.46Å; E144-H148 WeakPolarHBondContact CG-CE1 3.38Å; E144-H148 WeakPolarHBondContact O-CB 3.44Å; E144-H148 VanDerWaalsContact O-CG 3.31Å; E144-H148 PolarHBondContact O-N 2.58Å; E144-H148 PolarHBondContact O-ND1 3.39Å; E144-H148 IonicContact OE1-CE1 3.45Å; E144-H148 PolarHBondContact OE1-CE1 3.19Å; Q145-H148 PolarHBondContact O-N 2.98Å; Q146-H148 PolarHBondContact O-N 3.25Å; H148-L151 PolarHBondContact O-N 3.3Å; H148-R152 VanDerWaalsContact O-CB 3.28Å; H148-R152 WeakPolarHBondContact O-CB 3.2Å; H148-R152 VanDerWaalsContact O-CG 3.29Å; H148-R152 WeakPolarHBondContact O-CG 3.48Å; H148-R152 PolarHBondContact O-N 3.19Å
149Y88.5Confident84.3Confident165 Ų16578.1 Ų78.165%0.64740%0.401SS*.Hα-helixtrans-59.1-50.2176177.4-93.5000110.9Q145 Q146 F147 G153Q145-Y149 WeakPolarHBondContact O-CB 3.22Å; Q145-Y149 PolarHBondContact O-N 2.87Å; Q146-Y149 WeakPolarHBondContact O-CB 3.14Å; Q146-Y149 PolarHBondContact O-N 3.08Å; F147-Y149 PolarHBondContact O-N 3.31Å; Y149-G153 PolarHBondContact O-N 3Å
150H90.3Very high85.9Confident119 Ų11982.7 Ų82.755%0.55141%0.409SS*.Hα-helixtrans-65.9-42.4179.3-69.9-54000112.5Q146 F147 G153 L154Q146-H150 PolarHBondContact O-CD2 3Å; Q146-H150 PolarHBondContact O-N 3.06Å; F147-H150 PolarHBondContact O-N 2.99Å; H150-G153 PolarHBondContact O-N 3.07Å; H150-L154 VanDerWaalsContact O-CB 3.28Å; H150-L154 WeakPolarHBondContact O-CB 3.36Å; H150-L154 PolarHBondContact O-N 2.94Å
151L87.9Confident87.6Confident27 Ų2784.1 Ų84.114%0.14142%0.418CS..Hα-helixtrans-65.4-44.9-179.9-157.178.1000111.4M18 V105 F147 H148 L154 H155M18-L151 HydrophobicContact CE-CD1 4.13Å; V105-L151 HydrophobicContact CG2-CB 4.22Å; V105-L151 HydrophobicContact CG2-CD2 3.43Å; V105-L151 VanDerWaalsContact CG2-CD2 3.43Å; V105-L151 HydrophobicContact CG2-CG 4.24Å; F147-L151 HydrophobicContact CE1-CB 4.41Å; F147-L151 HydrophobicContact CE1-CD1 4.45Å; F147-L151 HydrophobicContact CE1-CD2 4Å; F147-L151 HydrophobicContact CZ-CD1 3.91Å; F147-L151 HydrophobicContact CZ-CD2 4.22Å; F147-L151 HydrophobicContact CZ-CG 4.45Å; F147-L151 WeakPolarHBondContact O-CB 3.44Å; F147-L151 PolarHBondContact O-N 3.48Å; H148-L151 PolarHBondContact O-N 3.3Å; L151-L154 PolarHBondContact O-N 2.8Å; L151-H155 WeakPolarHBondContact O-CB 3Å; L151-H155 PolarHBondContact O-N 2.9Å
152R87.4Confident89Confident96 Ų9681.9 Ų81.936%0.36241%0.413SS..Hα-helixtrans-64.5-40.4175.4-73.4-177174.5125.6-6.4111.8V105 H148 T156V105-R152 HydrophobicContact CB-CG 4.29Å; V105-R152 VanDerWaalsContact CG1-CZ 3.45Å; V105-R152 VanDerWaalsContact CG1-NH2 3.27Å; V105-R152 HydrophobicContact CG2-CG 4.12Å; H148-R152 VanDerWaalsContact O-CB 3.28Å; H148-R152 WeakPolarHBondContact O-CB 3.2Å; H148-R152 VanDerWaalsContact O-CG 3.29Å; H148-R152 WeakPolarHBondContact O-CG 3.48Å; H148-R152 PolarHBondContact O-N 3.19Å; R152-T156 WeakPolarHBondContact O-CB 3.45Å; R152-T156 PolarHBondContact O-N 3.29Å; R152-T156 PolarHBondContact O-OG1 3.37Å
153G89.5Confident89.7Confident34 Ų3486.7 Ų86.735%0.35143%0.425SS..Hα-helixtrans-60.2-50.1174.500000111.8Y149 H150 T156 V157Y149-G153 PolarHBondContact O-N 3Å; H150-G153 PolarHBondContact O-N 3.07Å; G153-T156 WeakPolarHBondContact O-CB 3.27Å; G153-T156 PolarHBondContact O-N 3.36Å; G153-V157 WeakPolarHBondContact O-CG2 3.35Å; G153-V157 PolarHBondContact O-N 3.33Å
154L90.9Very high90.4Very high70 Ų7089.6 Ų89.637%0.36643%0.434SS..Hα-helixtrans-60.3-48.4177.5-178.464000111.6L14 H150 L151 T156 V157 L158L14-L154 HydrophobicContact CD2-CD2 3.63Å; H150-L154 VanDerWaalsContact O-CB 3.28Å; H150-L154 WeakPolarHBondContact O-CB 3.36Å; H150-L154 PolarHBondContact O-N 2.94Å; L151-L154 PolarHBondContact O-N 2.8Å; L154-T156 VanDerWaalsContact C-N 3.29Å; L154-T156 PolarHBondContact O-N 3.47Å; L154-V157 PolarHBondContact O-N 3.48Å; L154-L158 HydrophobicContact CD1-CD1 4.15Å; L154-L158 HydrophobicContact CD1-CG 4.2Å; L154-L158 HydrophobicContact CG-CD1 3.94Å; L154-L158 HydrophobicContact CG-CG 4.39Å; L154-L158 WeakPolarHBondContact O-CB 3.45Å; L154-L158 WeakPolarHBondContact O-CG 3.5Å; L154-L158 PolarHBondContact O-N 3.4Å
155H86.9Confident91Very high114 Ų11489.7 Ų89.753%0.52844%0.443SS..Hα-helixtrans-58.3-41.3177.1-177.6-98.9000112L151 S159L151-H155 WeakPolarHBondContact O-CB 3Å; L151-H155 PolarHBondContact O-N 2.9Å; H155-S159 VanDerWaalsContact O-CB 3.25Å; H155-S159 WeakPolarHBondContact O-CB 3.44Å; H155-S159 PolarHBondContact O-N 2.95Å; H155-S159 PolarHBondContact O-OG 3.08Å
156T90.6Very high91.5Very high68 Ų6888.5 Ų88.542%0.41744%0.44SS..Hα-helixtrans-63.2-46176.6-60.70000111.7R152 G153 L154 S159 K160R152-T156 WeakPolarHBondContact O-CB 3.45Å; R152-T156 PolarHBondContact O-N 3.29Å; R152-T156 PolarHBondContact O-OG1 3.37Å; G153-T156 WeakPolarHBondContact O-CB 3.27Å; G153-T156 PolarHBondContact O-N 3.36Å; L154-T156 VanDerWaalsContact C-N 3.29Å; L154-T156 PolarHBondContact O-N 3.47Å; T156-S159 PolarHBondContact O-N 3.02Å; T156-K160 HydrophobicContact CG2-CD 4.49Å; T156-K160 WeakPolarHBondContact O-CG 3.38Å; T156-K160 PolarHBondContact O-N 3.1Å; T156-K160 VanDerWaalsContact O-N 3.08Å
157V94.5Very high91.9Very high79 Ų7988.8 Ų88.848%0.47944%0.443SS..Hα-helixtrans-64.4-49179.11720000110.5G153 L154 S159 K160 L161G153-V157 WeakPolarHBondContact O-CG2 3.35Å; G153-V157 PolarHBondContact O-N 3.33Å; L154-V157 PolarHBondContact O-N 3.48Å; V157-S159 VanDerWaalsContact C-N 3.34Å; V157-S159 PolarHBondContact O-N 3.01Å; V157-K160 PolarHBondContact O-N 3.25Å; V157-L161 HydrophobicContact CG1-CD1 3.78Å; V157-L161 HydrophobicContact CG1-CG 4.29Å; V157-L161 WeakPolarHBondContact O-CG 3.32Å; V157-L161 PolarHBondContact O-N 2.87Å
158L92.8Very high92.3Very high90 Ų9092.2 Ų92.247%0.47146%0.464SS..Hα-helixtrans-59.2-44.2177.3-71.2175.4000111.4L154 K160 L161 T162L154-L158 HydrophobicContact CD1-CD1 4.15Å; L154-L158 HydrophobicContact CD1-CG 4.2Å; L154-L158 HydrophobicContact CG-CD1 3.94Å; L154-L158 HydrophobicContact CG-CG 4.39Å; L154-L158 WeakPolarHBondContact O-CB 3.45Å; L154-L158 WeakPolarHBondContact O-CG 3.5Å; L154-L158 PolarHBondContact O-N 3.4Å; L158-K160 VanDerWaalsContact C-N 3.34Å; L158-K160 PolarHBondContact O-N 3.44Å; L158-L161 PolarHBondContact O-N 3.39Å; L158-T162 WeakPolarHBondContact O-CB 3.35Å; L158-T162 PolarHBondContact O-N 3.44Å; L158-T162 PolarHBondContact O-OG1 3.24Å
159S92.5Very high92.6Very high59 Ų5994.5 Ų94.541%0.41348%0.479SS..Hα-helixtrans-58.1-44.8176.5-65.80000112.2H155 T156 V157 R163H155-S159 VanDerWaalsContact O-CB 3.25Å; H155-S159 WeakPolarHBondContact O-CB 3.44Å; H155-S159 PolarHBondContact O-N 2.95Å; H155-S159 PolarHBondContact O-OG 3.08Å; T156-S159 PolarHBondContact O-N 3.02Å; V157-S159 VanDerWaalsContact C-N 3.34Å; V157-S159 PolarHBondContact O-N 3.01Å; S159-R163 PolarHBondContact O-N 2.94Å
160K94.9Very high92.8Very high138 Ų13890.7 Ų90.760%0.647%0.47SS*.Hα-helixtrans-64.7-44.2176.3-74.2177179.61760111.8T156 V157 L158 R163 K164T156-K160 HydrophobicContact CG2-CD 4.49Å; T156-K160 WeakPolarHBondContact O-CG 3.38Å; T156-K160 PolarHBondContact O-N 3.1Å; T156-K160 VanDerWaalsContact O-N 3.08Å; V157-K160 PolarHBondContact O-N 3.25Å; L158-K160 VanDerWaalsContact C-N 3.34Å; L158-K160 PolarHBondContact O-N 3.44Å; K160-R163 PolarHBondContact O-N 3.41Å; K160-K164 WeakPolarHBondContact O-CG 3.35Å; K160-K164 PolarHBondContact O-N 2.77Å
161L96.9Very high92.8Very high97 Ų9791.9 Ų91.951%0.50847%0.47SS..Hα-helixtrans-65.1-44.9179-71174.3000111.6V157 L158 R163 K164 A165V157-L161 HydrophobicContact CG1-CD1 3.78Å; V157-L161 HydrophobicContact CG1-CG 4.29Å; V157-L161 WeakPolarHBondContact O-CG 3.32Å; V157-L161 PolarHBondContact O-N 2.87Å; L158-L161 PolarHBondContact O-N 3.39Å; L161-R163 VanDerWaalsContact C-N 3.33Å; L161-R163 PolarHBondContact O-N 3.37Å; L161-K164 WeakPolarHBondContact O-CB 3.41Å; L161-K164 PolarHBondContact O-N 2.9Å; L161-K164 VanDerWaalsContact O-N 3.13Å; L161-A165 WeakPolarHBondContact O-CB 3.4Å; L161-A165 PolarHBondContact O-N 2.87Å
162T95.7Very high92.9Very high79 Ų7997.4 Ų97.449%0.48549%0.489SS..Hα-helixtrans-57.6-44.6174.5-63.10000111.2L158 K164 A165 N166L158-T162 WeakPolarHBondContact O-CB 3.35Å; L158-T162 PolarHBondContact O-N 3.44Å; L158-T162 PolarHBondContact O-OG1 3.24Å; T162-K164 PolarHBondContact O-N 3.16Å; T162-A165 PolarHBondContact O-N 2.92Å; T162-N166 WeakPolarHBondContact O-CB 3.33Å; T162-N166 PolarHBondContact O-N 2.66Å; T162-N166 PolarHBondContact O-ND2 2.9Å
163R95.8Very high93Very high183 Ų18398.9 Ų98.969%0.69150%0.498SS*.Hα-helixtrans-61.1-44.8175-171.4177-177-175.11.7111.9S159 K160 L161 N166 I167S159-R163 PolarHBondContact O-N 2.94Å; K160-R163 PolarHBondContact O-N 3.41Å; L161-R163 VanDerWaalsContact C-N 3.33Å; L161-R163 PolarHBondContact O-N 3.37Å; R163-N166 PolarHBondContact O-N 3.42Å; R163-I167 HydrophobicContact CG-CD1 4.08Å; R163-I167 VanDerWaalsContact O-CG1 3.28Å; R163-I167 WeakPolarHBondContact O-CG1 3.3Å; R163-I167 PolarHBondContact O-N 2.94Å
164K96.4Very high92.9Very high148 Ų148103.5 Ų103.564%0.64351%0.511SS*.Hα-helixtrans-61.9-44176.4-74.7-175.9176-1680112K160 L161 T162 N166 I167 L168K160-K164 WeakPolarHBondContact O-CG 3.35Å; K160-K164 PolarHBondContact O-N 2.77Å; L161-K164 WeakPolarHBondContact O-CB 3.41Å; L161-K164 PolarHBondContact O-N 2.9Å; L161-K164 VanDerWaalsContact O-N 3.13Å; T162-K164 PolarHBondContact O-N 3.16Å; K164-N166 VanDerWaalsContact C-N 3.35Å; K164-N166 PolarHBondContact O-N 2.93Å; K164-I167 PolarHBondContact O-N 3.05Å; K164-L168 WeakPolarHBondContact O-CB 3.37Å; K164-L168 PolarHBondContact O-N 3.23Å
165A96.7Very high92.5Very high51 Ų51107.4 Ų107.442%0.42153%0.527SS..Hα-helixtrans-61.9-41.5177.500000112L161 T162 L168 T169L161-A165 WeakPolarHBondContact O-CB 3.4Å; L161-A165 PolarHBondContact O-N 2.87Å; T162-A165 PolarHBondContact O-N 2.92Å; A165-L168 PolarHBondContact O-N 2.86Å; A165-T169 WeakPolarHBondContact O-CB 3.33Å; A165-T169 PolarHBondContact O-N 3.2Å; A165-T169 PolarHBondContact O-OG1 2.98Å
166N95.3Very high92.1Very high90 Ų90107.2 Ų107.248%0.48153%0.529SS..Hα-helixtrans-64.8-43.1174.6-73.8-31.4000112.1T162 R163 K164 T169 N170T162-N166 WeakPolarHBondContact O-CB 3.33Å; T162-N166 PolarHBondContact O-N 2.66Å; T162-N166 PolarHBondContact O-ND2 2.9Å; R163-N166 PolarHBondContact O-N 3.42Å; K164-N166 VanDerWaalsContact C-N 3.35Å; K164-N166 PolarHBondContact O-N 2.93Å; N166-T169 PolarHBondContact O-N 3.1Å; N166-N170 WeakPolarHBondContact O-CB 3.42Å; N166-N170 PolarHBondContact O-N 3.41Å; N166-N170 PolarHBondContact O-ND2 2.9Å
167I94.9Very high90.7Very high87 Ų87105.5 Ų105.545%0.44653%0.525SS..Hα-helixtrans-60.3-47.3175.1-69.4164.8000110.5R163 K164 T169 N170 R171R163-I167 HydrophobicContact CG-CD1 4.08Å; R163-I167 VanDerWaalsContact O-CG1 3.28Å; R163-I167 WeakPolarHBondContact O-CG1 3.3Å; R163-I167 PolarHBondContact O-N 2.94Å; K164-I167 PolarHBondContact O-N 3.05Å; I167-T169 PolarHBondContact O-N 2.9Å; I167-N170 PolarHBondContact O-N 2.79Å; I167-R171 HydrophobicContact CG2-CG 4.4Å; I167-R171 WeakPolarHBondContact O-CG 3.32Å; I167-R171 PolarHBondContact O-N 3.02Å
168L94.6Very high88.9Confident126 Ų126112.1 Ų112.166%0.6655%0.548SS*.Hα-helixtrans-60-45.8178.5-175.168.6000111.4K164 A165 N170 R171 Y172K164-L168 WeakPolarHBondContact O-CB 3.37Å; K164-L168 PolarHBondContact O-N 3.23Å; A165-L168 PolarHBondContact O-N 2.86Å; L168-N170 VanDerWaalsContact C-N 3.31Å; L168-N170 PolarHBondContact O-N 2.82Å; L168-R171 PolarHBondContact O-N 3.16Å; L168-Y172 WeakPolarHBondContact O-CB 3.46Å; L168-Y172 PolarHBondContact O-N 3.37Å
169T92.8Very high87.2Confident65 Ų65111.4 Ų111.440%0.39956%0.563SS.*Hα-helixtrans-59.8-42176.2-58.70000111.5A165 N166 I167 K173A165-T169 WeakPolarHBondContact O-CB 3.33Å; A165-T169 PolarHBondContact O-N 3.2Å; A165-T169 PolarHBondContact O-OG1 2.98Å; N166-T169 PolarHBondContact O-N 3.1Å; I167-T169 PolarHBondContact O-N 2.9Å; T169-K173 HydrophobicContact CG2-CD 4.49Å; T169-K173 WeakPolarHBondContact O-CG 3.5Å; T169-K173 PolarHBondContact O-N 3.33Å
170N91.5Very high85.4Confident85 Ų85115.8 Ų115.846%0.45558%0.581SS.*Hα-helixtrans-68.5-40.5177.9-71.1-20000112.2N166 I167 L168 K173 Q174N166-N170 WeakPolarHBondContact O-CB 3.42Å; N166-N170 PolarHBondContact O-N 3.41Å; N166-N170 PolarHBondContact O-ND2 2.9Å; I167-N170 PolarHBondContact O-N 2.79Å; L168-N170 VanDerWaalsContact C-N 3.31Å; L168-N170 PolarHBondContact O-N 2.82Å; N170-K173 PolarHBondContact O-N 3.03Å; N170-Q174 WeakPolarHBondContact O-CG 3.31Å; N170-Q174 PolarHBondContact O-N 3.42Å
171R90.6Very high83.7Confident144 Ų144121.9 Ų121.954%0.54360%0.601SS.*Hα-helixtrans-62.8-47.1174.5-75.8-66.8-166.1178.25.1111.8I167 L168 K173 Q174 E175I167-R171 HydrophobicContact CG2-CG 4.4Å; I167-R171 WeakPolarHBondContact O-CG 3.32Å; I167-R171 PolarHBondContact O-N 3.02Å; L168-R171 PolarHBondContact O-N 3.16Å; R171-K173 VanDerWaalsContact C-N 3.31Å; R171-K173 PolarHBondContact O-N 3.2Å; R171-Q174 WeakPolarHBondContact O-CB 3.37Å; R171-Q174 PolarHBondContact O-N 3.12Å; R171-Q174 VanDerWaalsContact O-N 3.1Å; R171-E175 WeakPolarHBondContact O-CG 3.42Å; R171-E175 PolarHBondContact O-N 3.01Å
172Y90.3Very high81.5Confident143 Ų143121.1 Ų121.156%0.56162%0.616SS**Hα-helixtrans-55.7-46.1175.4178.1-86000111.7L168 Q174 E175 I176L168-Y172 WeakPolarHBondContact O-CB 3.46Å; L168-Y172 PolarHBondContact O-N 3.37Å; Y172-Q174 PolarHBondContact O-N 3.31Å; Y172-E175 PolarHBondContact O-N 3.08Å; Y172-I176 HydrophobicContact CD1-CD1 4.21Å; Y172-I176 HydrophobicContact CD2-CD1 3.4Å; Y172-I176 VanDerWaalsContact CD2-CD1 3.4Å; Y172-I176 HydrophobicContact CE1-CB 4.47Å; Y172-I176 HydrophobicContact CE1-CD1 3.86Å; Y172-I176 HydrophobicContact CE2-CD1 3.01Å; Y172-I176 HydrophobicContact CE2-CG1 4.44Å; Y172-I176 HydrophobicContact CG-CD1 3.99Å; Y172-I176 WeakPolarHBondContact O-CB 3.31Å; Y172-I176 PolarHBondContact O-N 3.29Å
173K89.1Confident79Confident126 Ų126129.7 Ų129.755%0.54865%0.65SS.*Hα-helixtrans-59.6-45.6175.4-74.1175.2178.7-1780111.8T169 N170 R171 E175 G177T169-K173 HydrophobicContact CG2-CD 4.49Å; T169-K173 WeakPolarHBondContact O-CG 3.5Å; T169-K173 PolarHBondContact O-N 3.33Å; N170-K173 PolarHBondContact O-N 3.03Å; R171-K173 VanDerWaalsContact C-N 3.31Å; R171-K173 PolarHBondContact O-N 3.2Å; K173-E175 VanDerWaalsContact C-N 3.31Å; K173-E175 PolarHBondContact O-N 3.07Å; K173-G177 CarbonylContact O-C 3.31Å; K173-G177 VanDerWaalsContact O-C 3.31Å; K173-G177 PolarHBondContact O-N 3.08Å; K173-G177 VanDerWaalsContact O-N 3.1Å
174Q87Confident78.2Confident131 Ų131127.1 Ų127.161%0.61265%0.648SS**Hα-helixtrans-62.1-37.4178.1-72169.8-2.600112.9N170 R171 Y172N170-Q174 WeakPolarHBondContact O-CG 3.31Å; N170-Q174 PolarHBondContact O-N 3.42Å; R171-Q174 WeakPolarHBondContact O-CB 3.37Å; R171-Q174 PolarHBondContact O-N 3.12Å; R171-Q174 VanDerWaalsContact O-N 3.1Å; Y172-Q174 PolarHBondContact O-N 3.31Å
175E83.4Confident77.2Confident153 Ų153125.9 Ų125.972%0.71565%0.649SS**Hα-helixtrans-80-30-176.9-71.3175.2-16600113.4R171 Y172 K173R171-E175 WeakPolarHBondContact O-CG 3.42Å; R171-E175 PolarHBondContact O-N 3.01Å; Y172-E175 PolarHBondContact O-N 3.08Å; K173-E175 VanDerWaalsContact C-N 3.31Å; K173-E175 PolarHBondContact O-N 3.07Å
176I77.5Confident76.1Confident109 Ų109130.1 Ų130.156%0.55966%0.661SS**Hα-helixtrans-109-19.6-169.9-68.6164.8000114.3Y172Y172-I176 HydrophobicContact CD1-CD1 4.21Å; Y172-I176 HydrophobicContact CD2-CD1 3.4Å; Y172-I176 VanDerWaalsContact CD2-CD1 3.4Å; Y172-I176 HydrophobicContact CE1-CB 4.47Å; Y172-I176 HydrophobicContact CE1-CD1 3.86Å; Y172-I176 HydrophobicContact CE2-CD1 3.01Å; Y172-I176 HydrophobicContact CE2-CG1 4.44Å; Y172-I176 HydrophobicContact CG-CD1 3.99Å; Y172-I176 WeakPolarHBondContact O-CB 3.31Å; Y172-I176 PolarHBondContact O-N 3.29Å
177G60.8Low75Confident33 Ų33132.5 Ų132.534%0.3467%0.672SS.*SBendtrans-177.3112.3173.500000110.2K173K173-G177 CarbonylContact O-C 3.31Å; K173-G177 VanDerWaalsContact O-C 3.31Å; K173-G177 PolarHBondContact O-N 3.08Å; K173-G177 VanDerWaalsContact O-N 3.1Å
178F57.2Low73.8Confident217 Ų217135.3 Ų135.395%0.95269%0.686SS**SBend-160.945.968.9-78.5-85.3000111.7
179G56.9Low72.4Confident76 Ų76135.9 Ų135.978%0.78469%0.688SS**SBendtrans-103.8-14.3-172.200000118
180N55.9Low70.9Confident151 Ų151141 Ų14181%0.80771%0.708SS**SBendtrans-14313.7-158.9-154.441.4000118.2
181W58.5Low69.4Low265 Ų265145.3 Ų145.3100%1.00473%0.728SS**SBendtrans-119.739.7-178.5-71.7-5.7000114.7
182G49.9Very low67.6Low81 Ų81145.4 Ų145.484%0.83574%0.743SS**  trans-156.176.1178.600000115.5
183H44.4Very low65.5Low260 Ų260145.6 Ų145.6100%1.20476%0.76SS**  trans-125.40145.9-173.9-34.9000106.8

Retrieved 183 of 183 residues in 31.3 ms (Link to these results)