X6RJP6_HUMAN Loading...

Transgelin 2

AlphaFold DB , UniProt , Accession X6RJP6, Species HUMAN (Homo sapiens, Human), Gene TAGLN2, Length 187 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.9Very low63.8Low240 Ų240121.5 Ų121.5100%1.18269%0.691SS**  0106.70-61.4175.1-152.400107.1
2A44.5Very low65.5Low86 Ų86123.7 Ų123.771%0.71168%0.68SS**  trans-100.794.2177.800000107.8R4A2-R4 VanDerWaalsContact C-N 3.27Å; A2-R4 PolarHBondContact O-N 2.92Å
3N44Very low67Low168 Ų168122.4 Ų122.490%0.89867%0.666SS**  trans-63.793.8164.6-80.9-45.5000107.4
4R59.9Low68.2Low217 Ų217118.7 Ų118.782%0.81965%0.65SS**  trans-78.5122.2166.2-78.4-173.5175.81780.2107.2A2A2-R4 VanDerWaalsContact C-N 3.27Å; A2-R4 PolarHBondContact O-N 2.92Å
5G58.6Low69.2Low58 Ų58114.5 Ų114.560%0.59862%0.624SS**  trans-62.4175.2174.800000112.4A7G5-A7 PolarHBondContact O-N 2.85Å
6P61.5Low70.2Confident90 Ų90112.7 Ų112.758%0.58461%0.61SS**  trans-53.9139.8-176.6-2130.6000111.5Y8P6-Y8 HydrophobicContact CB-CE1 4.27Å; P6-Y8 HydrophobicContact CB-CE2 3.9Å; P6-Y8 HydrophobicContact CG-CE2 4.31Å; P6-Y8 WeakPolarHBondContact CG-OH 3.46Å; P6-Y8 WeakPolarHBondContact O-CD2 3.49Å; P6-Y8 WeakPolarHBondContact O-CE2 3.4Å; P6-Y8 PolarHBondContact O-N 3.5Å
7A66.1Low71.2Confident48 Ų48114.5 Ų114.540%0.39761%0.61SS.*  trans-70.1125.7173.600000109.2G5 R12G5-A7 PolarHBondContact O-N 2.85Å; A7-R12 HydrophobicContact CB-CB 4.49Å; A7-R12 WeakPolarHBondContact O-CB 3.34Å
8Y77.8Confident72Confident172 Ų172110.3 Ų110.368%0.67559%0.587SS**  trans-116.3155.7175.8-59.5-77000110.8P6 S11P6-Y8 HydrophobicContact CB-CE1 4.27Å; P6-Y8 HydrophobicContact CB-CE2 3.9Å; P6-Y8 HydrophobicContact CG-CE2 4.31Å; P6-Y8 WeakPolarHBondContact CG-OH 3.46Å; P6-Y8 WeakPolarHBondContact O-CD2 3.49Å; P6-Y8 WeakPolarHBondContact O-CE2 3.4Å; P6-Y8 PolarHBondContact O-N 3.5Å; Y8-S11 PolarHBondContact O-N 3.01Å
9G86Confident72.6Confident51 Ų51108.6 Ų108.653%0.52658%0.576SS.*THydrogen-bonded Turntrans58.9-133.1177.700000113.5S11 R12 E13G9-S11 PolarHBondContact O-N 3.12Å; G9-R12 WeakPolarHBondContact O-CB 3.43Å; G9-R12 PolarHBondContact O-N 3.4Å; G9-E13 PolarHBondContact O-N 2.77Å
10L83.4Confident73.4Confident128 Ų128111.9 Ų111.967%0.6759%0.585SS**Hα-helixtrans-52.9-38.3-178.5-177.862.2000113.1R12 E13 V14L10-R12 VanDerWaalsContact C-N 3.29Å; L10-R12 PolarHBondContact O-N 2.73Å; L10-E13 PolarHBondContact O-N 3.01Å; L10-V14 HydrophobicContact CD1-CG2 4.44Å; L10-V14 VanDerWaalsContact O-CG2 3.25Å; L10-V14 WeakPolarHBondContact O-CG2 3.31Å; L10-V14 PolarHBondContact O-N 3.34Å
11S81.6Confident74.3Confident78 Ų78111.8 Ų111.855%0.54558%0.581SS.*Hα-helixtrans-64.2-34.6178.3-59.30000112.5Y8 G9 Q15Y8-S11 PolarHBondContact O-N 3.01Å; G9-S11 PolarHBondContact O-N 3.12Å; S11-Q15 WeakPolarHBondContact O-CB 3.39Å; S11-Q15 PolarHBondContact O-N 3.03Å; S11-Q15 VanDerWaalsContact O-N 3.09Å
12R83.3Confident76.9Confident148 Ų148102.2 Ų102.256%0.55853%0.532SS*.Hα-helixtrans-70.9-41.6176.3-168.5177174.9-176.4-1.5111.2A7 G9 L10 Q15 Q16A7-R12 HydrophobicContact CB-CB 4.49Å; A7-R12 WeakPolarHBondContact O-CB 3.34Å; G9-R12 WeakPolarHBondContact O-CB 3.43Å; G9-R12 PolarHBondContact O-N 3.4Å; L10-R12 VanDerWaalsContact C-N 3.29Å; L10-R12 PolarHBondContact O-N 2.73Å; R12-Q15 PolarHBondContact O-N 2.97Å; R12-Q16 WeakPolarHBondContact O-CG 3.19Å; R12-Q16 PolarHBondContact O-N 3.45Å
13E84.9Confident79.3Confident107 Ų107101.1 Ų101.150%0.552%0.515SS..Hα-helixtrans-64.3-41.1178-66.5176.2-176.200111.8G9 L10 Q16 K17G9-E13 PolarHBondContact O-N 2.77Å; L10-E13 PolarHBondContact O-N 3.01Å; E13-Q16 PolarHBondContact O-N 2.75Å; E13-K17 WeakPolarHBondContact O-CG 3.44Å; E13-K17 PolarHBondContact O-N 2.85Å
14V84.6Confident81.7Confident71 Ų7196 Ų9643%0.4350%0.496SS..Hα-helixtrans-61.2-47.5173.6172.20000110.4L10 Q16 K17 I18L10-V14 HydrophobicContact CD1-CG2 4.44Å; L10-V14 VanDerWaalsContact O-CG2 3.25Å; L10-V14 WeakPolarHBondContact O-CG2 3.31Å; L10-V14 PolarHBondContact O-N 3.34Å; V14-Q16 VanDerWaalsContact C-N 3.34Å; V14-Q16 PolarHBondContact O-N 3.12Å; V14-K17 PolarHBondContact O-N 3.09Å; V14-I18 HydrophobicContact CG1-CD1 3.99Å; V14-I18 WeakPolarHBondContact O-CG1 3.35Å; V14-I18 PolarHBondContact O-N 3.48Å
15Q82.3Confident83.4Confident56 Ų5691.4 Ų91.426%0.26249%0.488SS..Hα-helixtrans-60.2-44.4177.6-169.662.636.100111.4S11 R12 K17 I18 E19 K120S11-Q15 WeakPolarHBondContact O-CB 3.39Å; S11-Q15 PolarHBondContact O-N 3.03Å; S11-Q15 VanDerWaalsContact O-N 3.09Å; R12-Q15 PolarHBondContact O-N 2.97Å; Q15-K17 VanDerWaalsContact C-N 3.32Å; Q15-K17 PolarHBondContact O-N 2.69Å; Q15-I18 WeakPolarHBondContact O-CB 3.45Å; Q15-I18 PolarHBondContact O-N 3.43Å; Q15-E19 HydrophobicContact CG-CG 4.49Å; Q15-E19 VanDerWaalsContact O-CG 3.29Å; Q15-E19 WeakPolarHBondContact O-CG 3.38Å; Q15-E19 PolarHBondContact O-N 3.15Å; Q15-K120 PolarHBondContact NE2-O 3.47Å
16Q86Confident85.1Confident85 Ų8591.2 Ų91.240%0.39747%0.472SS..Hα-helixtrans-61.4-38.2176.3-76.1177.2-2.700112.8R12 E13 V14 E19 K20R12-Q16 WeakPolarHBondContact O-CG 3.19Å; R12-Q16 PolarHBondContact O-N 3.45Å; E13-Q16 PolarHBondContact O-N 2.75Å; V14-Q16 VanDerWaalsContact C-N 3.34Å; V14-Q16 PolarHBondContact O-N 3.12Å; Q16-E19 PolarHBondContact O-N 2.96Å; Q16-K20 VanDerWaalsContact O-CG 3.3Å; Q16-K20 WeakPolarHBondContact O-CG 3.34Å; Q16-K20 PolarHBondContact O-N 3.27Å
17K87.3Confident86.7Confident143 Ų14387.1 Ų87.162%0.62245%0.446SS*.Hα-helixtrans-65.7-40.4175.2-75.2177.6-177.7177.80111.8E13 V14 Q15 K20 Q21E13-K17 WeakPolarHBondContact O-CG 3.44Å; E13-K17 PolarHBondContact O-N 2.85Å; V14-K17 PolarHBondContact O-N 3.09Å; Q15-K17 VanDerWaalsContact C-N 3.32Å; Q15-K17 PolarHBondContact O-N 2.69Å; K17-K20 PolarHBondContact O-N 3.33Å; K17-Q21 PolarHBondContact O-N 3.5Å
18I84.8Confident88.1Confident39 Ų3987.7 Ų87.720%0.244%0.44CS..Hα-helixtrans-63.4-45.8175-69.1167.3000110.1V14 Q15 K20 Q21 N121V14-I18 HydrophobicContact CG1-CD1 3.99Å; V14-I18 WeakPolarHBondContact O-CG1 3.35Å; V14-I18 PolarHBondContact O-N 3.48Å; Q15-I18 WeakPolarHBondContact O-CB 3.45Å; Q15-I18 PolarHBondContact O-N 3.43Å; I18-K20 VanDerWaalsContact C-N 3.27Å; I18-K20 PolarHBondContact O-N 3.05Å; I18-Q21 WeakPolarHBondContact O-CB 3.48Å; I18-Q21 PolarHBondContact O-N 2.87Å; I18-N121 HydrophobicContact CG2-CB 4.08Å; I18-N121 VanDerWaalsContact CG2-CG 3.47Å; I18-N121 WeakPolarHBondContact CG2-OD1 2.9Å
19E83.8Confident89Confident79 Ų7981.7 Ų81.737%0.36942%0.419SS..Hα-helixtrans-63.3-34179.1-71.1-177.8151.100112.5Q15 Q16 Q21 Y22 R49Q15-E19 HydrophobicContact CG-CG 4.49Å; Q15-E19 VanDerWaalsContact O-CG 3.29Å; Q15-E19 WeakPolarHBondContact O-CG 3.38Å; Q15-E19 PolarHBondContact O-N 3.15Å; Q16-E19 PolarHBondContact O-N 2.96Å; E19-Q21 PolarHBondContact O-N 3.38Å; E19-Y22 WeakPolarHBondContact O-CB 3.5Å; E19-Y22 PolarHBondContact O-N 3.36Å; E19-Y22 VanDerWaalsContact O-N 3.1Å; E19-R49 IonicContact OE1-CZ 2.85Å; E19-R49 IonicContact OE1-NH1 3.45Å; E19-R49 PolarHBondContact OE1-NH1 3.01Å; E19-R49 IonicContact OE1-NH2 2.75Å; E19-R49 PolarHBondContact OE1-NH2 3.25Å
20K89.5Confident89.5Confident174 Ų17479.3 Ų79.376%0.75739%0.394SS*.THydrogen-bonded Turntrans-66.6-18172.8-77177.5-179.8-174.40114.3Q16 K17 I18Q16-K20 VanDerWaalsContact O-CG 3.3Å; Q16-K20 WeakPolarHBondContact O-CG 3.34Å; Q16-K20 PolarHBondContact O-N 3.27Å; K17-K20 PolarHBondContact O-N 3.33Å; I18-K20 VanDerWaalsContact C-N 3.27Å; I18-K20 PolarHBondContact O-N 3.05Å
21Q91.9Very high90.1Very high109 Ų10973.2 Ų73.251%0.50936%0.362SS..THydrogen-bonded Turntrans-80.5-9.5173.6-63.6179.35.200112.3K17 I18 E19 A123K17-Q21 PolarHBondContact O-N 3.5Å; I18-Q21 WeakPolarHBondContact O-CB 3.48Å; I18-Q21 PolarHBondContact O-N 2.87Å; E19-Q21 PolarHBondContact O-N 3.38Å; Q21-A123 HydrophobicContact CB-CB 3.73Å
22Y93.7Very high90.8Very high39 Ų3973.4 Ų73.415%0.15335%0.354CS..  trans-72.9130.9175.5-170.3-87.4000109.9E19 E27 R49 M122 Q126E19-Y22 WeakPolarHBondContact O-CB 3.5Å; E19-Y22 PolarHBondContact O-N 3.36Å; E19-Y22 VanDerWaalsContact O-N 3.1Å; Y22-E27 HydrophobicContact CE1-CB 4.45Å; Y22-E27 WeakPolarHBondContact OH-CB 3.28Å; Y22-E27 VanDerWaalsContact OH-CD 3.24Å; Y22-E27 WeakPolarHBondContact OH-CG 3.14Å; Y22-E27 PolarHBondContact OH-OE2 3.23Å; Y22-R49 HydrophobicContact CD2-CG 4.37Å; Y22-R49 HydrophobicContact CE1-CB 4.02Å; Y22-R49 HydrophobicContact CE1-CG 4.47Å; Y22-R49 HydrophobicContact CE2-CB 4.37Å; Y22-R49 HydrophobicContact CE2-CG 4.02Å; Y22-M122 HydrophobicContact CD2-CB 3.74Å; Y22-M122 HydrophobicContact CE2-CB 3.76Å; Y22-Q126 HydrophobicContact CD2-CG 4.36Å; Y22-Q126 HydrophobicContact CE2-CG 3.88Å; Y22-Q126 VanDerWaalsContact CE2-OE1 3.28Å
23D94.8Very high91.5Very high64 Ų6466.3 Ų66.334%0.34233%0.328SS..  trans-118.8119.5-176.5-171.5-33.3000109.8D25 L26 E27 Q126D23-D25 VanDerWaalsContact C-N 3.32Å; D23-D25 PolarHBondContact O-N 3.1Å; D23-D25 WeakPolarHBondContact OD1-CB 3.16Å; D23-D25 PolarHBondContact OD1-N 3.06Å; D23-L26 HydrophobicContact CB-CB 4.02Å; D23-L26 HydrophobicContact CB-CD1 3.89Å; D23-L26 HydrophobicContact CB-CG 3.84Å; D23-L26 PolarHBondContact O-N 3.39Å; D23-L26 PolarHBondContact OD1-N 2.77Å; D23-E27 PolarHBondContact O-N 3.24Å; D23-E27 VanDerWaalsContact O-N 3.13Å; D23-Q126 PolarHBondContact O-NE2 2.96Å
24A94.9Very high92.1Very high60 Ų6061.2 Ų61.250%0.49630%0.304SS..Hα-helixtrans-69.8-29-178.200000112.7E27 Q28A24-E27 WeakPolarHBondContact O-CB 3.43Å; A24-E27 PolarHBondContact O-N 3.47Å; A24-Q28 PolarHBondContact O-N 2.95Å
25D94.1Very high92.6Very high121 Ų12159.8 Ų59.865%0.64730%0.296SS*.Hα-helixtrans-73.2-40.6178.7-65.3-31.2000110D23 E27 Q28 I29D23-D25 VanDerWaalsContact C-N 3.32Å; D23-D25 PolarHBondContact O-N 3.1Å; D23-D25 WeakPolarHBondContact OD1-CB 3.16Å; D23-D25 PolarHBondContact OD1-N 3.06Å; D25-E27 VanDerWaalsContact C-N 3.28Å; D25-E27 PolarHBondContact O-N 3.36Å; D25-Q28 PolarHBondContact O-N 3.37Å; D25-I29 WeakPolarHBondContact O-CG1 3.3Å; D25-I29 PolarHBondContact O-N 3.03Å; D25-I29 VanDerWaalsContact O-N 3.11Å
26L94Very high93.2Very high54 Ų5460.2 Ų60.228%0.28330%0.302SS..Hα-helixtrans-62.2-35.7172-65.8-174.6000112.1D23 Q28 I29 L30 M130D23-L26 HydrophobicContact CB-CB 4.02Å; D23-L26 HydrophobicContact CB-CD1 3.89Å; D23-L26 HydrophobicContact CB-CG 3.84Å; D23-L26 PolarHBondContact O-N 3.39Å; D23-L26 PolarHBondContact OD1-N 2.77Å; L26-Q28 VanDerWaalsContact C-N 3.35Å; L26-Q28 PolarHBondContact O-N 3.34Å; L26-I29 HydrophobicContact CD2-CD1 4.44Å; L26-I29 PolarHBondContact O-N 3.02Å; L26-L30 WeakPolarHBondContact O-CB 3.43Å; L26-L30 WeakPolarHBondContact O-CG 3.36Å; L26-L30 PolarHBondContact O-N 3.5Å; L26-M130 HydrophobicContact CD2-CE 3.85Å; L26-M130 HydrophobicContact CD2-SD 4.2Å
27E96Very high93.7Very high4 Ų456.4 Ų56.42%0.01928%0.284CS..Hα-helixtrans-57.5-48.6174-173.3-162.17800111.2Y22 D23 A24 D25 I29 L30 I31 G48 R49 F52Y22-E27 HydrophobicContact CE1-CB 4.45Å; Y22-E27 WeakPolarHBondContact OH-CB 3.28Å; Y22-E27 VanDerWaalsContact OH-CD 3.24Å; Y22-E27 WeakPolarHBondContact OH-CG 3.14Å; Y22-E27 PolarHBondContact OH-OE2 3.23Å; D23-E27 PolarHBondContact O-N 3.24Å; D23-E27 VanDerWaalsContact O-N 3.13Å; A24-E27 WeakPolarHBondContact O-CB 3.43Å; A24-E27 PolarHBondContact O-N 3.47Å; D25-E27 VanDerWaalsContact C-N 3.28Å; D25-E27 PolarHBondContact O-N 3.36Å; E27-I29 VanDerWaalsContact C-N 3.35Å; E27-I29 PolarHBondContact O-N 3.49Å; E27-L30 PolarHBondContact O-N 2.76Å; E27-I31 HydrophobicContact CG-CD1 3.85Å; E27-I31 HydrophobicContact CG-CG1 4.46Å; E27-I31 VanDerWaalsContact O-CG1 3.31Å; E27-I31 WeakPolarHBondContact O-CG1 3.23Å; E27-I31 PolarHBondContact O-N 2.86Å; E27-G48 PolarHBondContact OE1-N 3.41Å; E27-G48 WeakPolarHBondContact OE2-CA 3.46Å; E27-G48 PolarHBondContact OE2-N 3.37Å; E27-R49 WeakPolarHBondContact OE2-CA 3.31Å; E27-R49 PolarHBondContact OE2-N 2.81Å; E27-F52 HydrophobicContact CG-CB 3.98Å; E27-F52 HydrophobicContact CG-CD1 4.28Å; E27-F52 HydrophobicContact CG-CD2 3.97Å; E27-F52 HydrophobicContact CG-CG 3.82Å; E27-F52 WeakPolarHBondContact OE2-CB 3.33Å
28Q95.9Very high94Very high60 Ų6050 Ų5028%0.2826%0.258SS..Hα-helixtrans-64.3-41.6-178.3-66.4-55.4-59.900111.9A24 D25 L26 I31 Q32A24-Q28 PolarHBondContact O-N 2.95Å; D25-Q28 PolarHBondContact O-N 3.37Å; L26-Q28 VanDerWaalsContact C-N 3.35Å; L26-Q28 PolarHBondContact O-N 3.34Å; Q28-I31 PolarHBondContact O-N 3.42Å; Q28-Q32 WeakPolarHBondContact O-CB 3.4Å; Q28-Q32 PolarHBondContact O-N 3.42Å
29I95.9Very high93.9Very high46 Ų4654.6 Ų54.624%0.23627%0.272CS..Hα-helixtrans-60.4-46.2174.2-68168.4000110.4D25 L26 E27 Q32 W33 W150D25-I29 WeakPolarHBondContact O-CG1 3.3Å; D25-I29 PolarHBondContact O-N 3.03Å; D25-I29 VanDerWaalsContact O-N 3.11Å; L26-I29 HydrophobicContact CD2-CD1 4.44Å; L26-I29 PolarHBondContact O-N 3.02Å; E27-I29 VanDerWaalsContact C-N 3.35Å; E27-I29 PolarHBondContact O-N 3.49Å; I29-Q32 PolarHBondContact O-N 3.35Å; I29-W33 WeakPolarHBondContact O-CB 3.47Å; I29-W33 PolarHBondContact O-N 3.27Å; I29-W150 HydrophobicContact CG2-CB 3.57Å; I29-W150 HydrophobicContact CG2-CG 3.83Å
30L97.1Very high93.9Very high0 Ų056.8 Ų56.80%028%0.28CS..Hα-helixtrans-64.6-42.7179.1-73.6173000112.1L26 E27 Q32 W33 I34 F52 Q126 L129 M130L26-L30 WeakPolarHBondContact O-CB 3.43Å; L26-L30 WeakPolarHBondContact O-CG 3.36Å; L26-L30 PolarHBondContact O-N 3.5Å; E27-L30 PolarHBondContact O-N 2.76Å; L30-Q32 VanDerWaalsContact C-N 3.31Å; L30-Q32 PolarHBondContact O-N 2.81Å; L30-W33 HydrophobicContact CD2-CE3 4.08Å; L30-W33 HydrophobicContact CD2-CZ3 4.42Å; L30-W33 PolarHBondContact O-N 3.38Å; L30-I34 WeakPolarHBondContact O-CB 3.4Å; L30-I34 WeakPolarHBondContact O-CD1 3.33Å; L30-I34 WeakPolarHBondContact O-CG1 3.31Å; L30-I34 PolarHBondContact O-N 2.89Å; L30-F52 HydrophobicContact CB-CE2 4.27Å; L30-F52 HydrophobicContact CB-CZ 4.07Å; L30-F52 HydrophobicContact CD1-CZ 4.19Å; L30-Q126 HydrophobicContact CD1-CB 3.93Å; L30-Q126 HydrophobicContact CD1-CG 3.96Å; L30-L129 HydrophobicContact CD1-CB 4.17Å; L30-L129 HydrophobicContact CD1-CD1 4.38Å; L30-L129 HydrophobicContact CD2-CB 3.63Å; L30-M130 HydrophobicContact CD1-CG 4.35Å; L30-M130 HydrophobicContact CD1-SD 4.47Å; L30-M130 HydrophobicContact CD2-CG 4.13Å; L30-M130 HydrophobicContact CD2-SD 3.66Å; L30-M130 HydrophobicContact CG-CG 4.41Å; L30-M130 HydrophobicContact CG-SD 3.93Å
31I96.7Very high93.9Very high1 Ų155.8 Ų55.81%0.00528%0.283CS..Hα-helixtrans-58.3-47174.8-70.6165.6000110.1E27 Q28 T35 R44 P45 F52 W55E27-I31 HydrophobicContact CG-CD1 3.85Å; E27-I31 HydrophobicContact CG-CG1 4.46Å; E27-I31 VanDerWaalsContact O-CG1 3.31Å; E27-I31 WeakPolarHBondContact O-CG1 3.23Å; E27-I31 PolarHBondContact O-N 2.86Å; Q28-I31 PolarHBondContact O-N 3.42Å; I31-T35 WeakPolarHBondContact O-CB 3.21Å; I31-T35 VanDerWaalsContact O-CG2 3.31Å; I31-T35 WeakPolarHBondContact O-CG2 3.38Å; I31-T35 PolarHBondContact O-N 3.06Å; I31-T35 VanDerWaalsContact O-N 3.12Å; I31-T35 PolarHBondContact O-OG1 3.37Å; I31-R44 HydrophobicContact CG2-CG 3.7Å; I31-P45 HydrophobicContact CD1-CG 3.99Å; I31-P45 HydrophobicContact CG1-CG 4.01Å; I31-P45 HydrophobicContact CG2-CG 4.32Å; I31-F52 HydrophobicContact CD1-CD2 3.99Å; I31-F52 HydrophobicContact CG1-CD2 3.55Å; I31-F52 HydrophobicContact CG1-CE2 3.77Å; I31-W55 HydrophobicContact CG1-CZ3 4.26Å
32Q96.1Very high93.8Very high81 Ų8151.9 Ų51.938%0.37927%0.267SS..Hα-helixtrans-65.1-42.7179.7-174.7170.2400112.1Q28 I29 L30 T35 T36 W150Q28-Q32 WeakPolarHBondContact O-CB 3.4Å; Q28-Q32 PolarHBondContact O-N 3.42Å; I29-Q32 PolarHBondContact O-N 3.35Å; L30-Q32 VanDerWaalsContact C-N 3.31Å; L30-Q32 PolarHBondContact O-N 2.81Å; Q32-T35 PolarHBondContact O-OG1 3.43Å; Q32-T36 WeakPolarHBondContact O-CB 3.45Å; Q32-T36 PolarHBondContact O-N 3.11Å; Q32-T36 VanDerWaalsContact O-N 3.12Å; Q32-T36 PolarHBondContact O-OG1 3.41Å; Q32-W150 HydrophobicContact CG-CH2 3.76Å; Q32-W150 HydrophobicContact CG-CZ2 3.78Å
33W96.8Very high93.7Very high0 Ų051.5 Ų51.50%028%0.275CS..Hα-helixtrans-66.4-49.1178.5172.156.4000111.9I29 L30 T35 T36 Q37 L65 L129 L132 G133 F144 W150 F151I29-W33 WeakPolarHBondContact O-CB 3.47Å; I29-W33 PolarHBondContact O-N 3.27Å; L30-W33 HydrophobicContact CD2-CE3 4.08Å; L30-W33 HydrophobicContact CD2-CZ3 4.42Å; L30-W33 PolarHBondContact O-N 3.38Å; W33-T35 VanDerWaalsContact C-N 3.3Å; W33-T35 PolarHBondContact O-N 2.93Å; W33-T36 CarbonylContact O-C 3.59Å; W33-T36 PolarHBondContact O-N 3.46Å; W33-Q37 HydrophobicContact CZ2-CG 4.38Å; W33-Q37 VanDerWaalsContact O-CB 3.3Å; W33-Q37 WeakPolarHBondContact O-CB 3.13Å; W33-Q37 PolarHBondContact O-N 3.44Å; W33-L65 HydrophobicContact CE3-CD1 4.48Å; W33-L65 HydrophobicContact CH2-CD1 4Å; W33-L65 HydrophobicContact CH2-CD2 4.13Å; W33-L65 HydrophobicContact CH2-CG 4.38Å; W33-L65 HydrophobicContact CZ2-CD1 4.11Å; W33-L65 HydrophobicContact CZ3-CD1 4.2Å; W33-L65 HydrophobicContact CZ3-CD2 3.95Å; W33-L129 WeakPolarHBondContact CZ3-O 3.35Å; W33-L132 HydrophobicContact CH2-CB 4.29Å; W33-L132 HydrophobicContact CH2-CD2 4.28Å; W33-L132 HydrophobicContact CH2-CG 4.14Å; W33-G133 VanDerWaalsContact CH2-CA 3.48Å; W33-F144 AromaticContact CD1-CE2 3.84Å; W33-F144 AromaticContact CE2-CE2 3.99Å; W33-F144 HydrophobicContact CZ2-CE2 4.45Å; W33-F144 AromaticContact NE1-CD2 3.86Å; W33-F144 AromaticContact NE1-CE2 3.22Å; W33-F144 AromaticContact NE1-CZ 3.92Å; W33-W150 HydrophobicContact CB-CE3 3.8Å; W33-W150 HydrophobicContact CB-CZ3 3.99Å; W33-W150 HydrophobicContact CG-CE3 4.34Å; W33-F151 HydrophobicContact CB-CE2 4.32Å; W33-F151 HydrophobicContact CB-CZ 3.88Å; W33-F151 AromaticContact CD1-CE2 3.75Å; W33-F151 AromaticContact CD1-CZ 3.9Å; W33-F151 HydrophobicContact CD2-CE1 4.26Å; W33-F151 AromaticContact CD2-CE2 3.92Å; W33-F151 HydrophobicContact CD2-CE2 3.92Å; W33-F151 AromaticContact CD2-CZ 3.3Å; W33-F151 HydrophobicContact CD2-CZ 3.3Å; W33-F151 AromaticContact CE2-CZ 3.76Å; W33-F151 HydrophobicContact CE3-CE1 4.13Å; W33-F151 AromaticContact CE3-CZ 3.59Å; W33-F151 HydrophobicContact CE3-CZ 3.59Å; W33-F151 AromaticContact CG-CE2 3.73Å; W33-F151 HydrophobicContact CG-CE2 3.73Å; W33-F151 AromaticContact CG-CZ 3.41Å; W33-F151 HydrophobicContact CG-CZ 3.41Å; W33-F151 VanDerWaalsContact CG-CZ 3.41Å; W33-F151 HydrophobicContact CZ2-CZ 4.4Å; W33-F151 HydrophobicContact CZ3-CE1 4.46Å; W33-F151 HydrophobicContact CZ3-CZ 4.24Å; W33-F151 AromaticContact NE1-CE2 3.94Å
34I96.9Very high93.6Very high0 Ų056 Ų560%029%0.287CS..Hα-helixtrans-60-43.5-177.9-66.8168.1000110.7L30 T36 Q37 C38 F52 W55 L56 V61 L65 L129L30-I34 WeakPolarHBondContact O-CB 3.4Å; L30-I34 WeakPolarHBondContact O-CD1 3.33Å; L30-I34 WeakPolarHBondContact O-CG1 3.31Å; L30-I34 PolarHBondContact O-N 2.89Å; I34-T36 VanDerWaalsContact C-N 3.28Å; I34-T36 PolarHBondContact O-N 2.97Å; I34-Q37 PolarHBondContact O-N 3.29Å; I34-C38 WeakPolarHBondContact O-CB 3.44Å; I34-C38 PolarHBondContact O-N 2.86Å; I34-C38 PolarHBondContact O-SG 3.22Å; I34-F52 HydrophobicContact CD1-CE2 4.47Å; I34-W55 HydrophobicContact CB-CH2 3.78Å; I34-W55 HydrophobicContact CB-CZ3 4.23Å; I34-W55 HydrophobicContact CD1-CH2 4.43Å; I34-W55 HydrophobicContact CD1-CZ3 4.03Å; I34-W55 HydrophobicContact CG2-CH2 3.44Å; I34-W55 VanDerWaalsContact CG2-CH2 3.44Å; I34-W55 HydrophobicContact CG2-CZ2 4.09Å; I34-W55 HydrophobicContact CG2-CZ3 4.08Å; I34-L56 HydrophobicContact CD1-CD2 4.35Å; I34-V61 HydrophobicContact CG2-CG1 3.53Å; I34-L65 HydrophobicContact CB-CD1 4.45Å; I34-L65 HydrophobicContact CD1-CD2 4.38Å; I34-L65 HydrophobicContact CG1-CD1 4.12Å; I34-L65 HydrophobicContact CG1-CD2 3.92Å; I34-L65 HydrophobicContact CG2-CD1 4.45Å; I34-L129 HydrophobicContact CD1-CD1 4.24Å
35T95.8Very high93.6Very high41 Ų4154 Ų5425%0.25227%0.269SS..Hα-helixtrans-65.4-30176.450.70000113.1I31 Q32 W33 V42 G43 R44 W55I31-T35 WeakPolarHBondContact O-CB 3.21Å; I31-T35 VanDerWaalsContact O-CG2 3.31Å; I31-T35 WeakPolarHBondContact O-CG2 3.38Å; I31-T35 PolarHBondContact O-N 3.06Å; I31-T35 VanDerWaalsContact O-N 3.12Å; I31-T35 PolarHBondContact O-OG1 3.37Å; Q32-T35 PolarHBondContact O-OG1 3.43Å; W33-T35 VanDerWaalsContact C-N 3.3Å; W33-T35 PolarHBondContact O-N 2.93Å; T35-V42 HydrophobicContact CG2-CG2 4.47Å; T35-G43 WeakPolarHBondContact CG2-O 3.41Å; T35-R44 HydrophobicContact CG2-CB 4.22Å; T35-R44 HydrophobicContact CG2-CG 4.38Å; T35-W55 HydrophobicContact CG2-CH2 4.06Å; T35-W55 HydrophobicContact CG2-CZ2 4.12Å
36T95.6Very high93.5Very high64 Ų6455.3 Ų55.339%0.39327%0.271SS..Hα-helixtrans-80.8-35.3176.8-54.90000112.4Q32 W33 I34Q32-T36 WeakPolarHBondContact O-CB 3.45Å; Q32-T36 PolarHBondContact O-N 3.11Å; Q32-T36 VanDerWaalsContact O-N 3.12Å; Q32-T36 PolarHBondContact O-OG1 3.41Å; W33-T36 CarbonylContact O-C 3.59Å; W33-T36 PolarHBondContact O-N 3.46Å; I34-T36 VanDerWaalsContact C-N 3.28Å; I34-T36 PolarHBondContact O-N 2.97Å
37Q95.8Very high93.3Very high5 Ų556.7 Ų56.72%0.02328%0.284CS..Hα-helixtrans-78.8-38.5-175.6-174.564.566.900112.1W33 I34 R39 L65 A68 L69 L143 S145W33-Q37 HydrophobicContact CZ2-CG 4.38Å; W33-Q37 VanDerWaalsContact O-CB 3.3Å; W33-Q37 WeakPolarHBondContact O-CB 3.13Å; W33-Q37 PolarHBondContact O-N 3.44Å; I34-Q37 PolarHBondContact O-N 3.29Å; Q37-R39 PolarHBondContact O-N 2.9Å; Q37-L65 HydrophobicContact CB-CD1 3.82Å; Q37-L65 HydrophobicContact CG-CD1 3.71Å; Q37-A68 HydrophobicContact CG-CB 4.31Å; Q37-A68 WeakPolarHBondContact O-CB 3.34Å; Q37-L69 VanDerWaalsContact CD-CD2 3.46Å; Q37-L69 HydrophobicContact CG-CD2 3.95Å; Q37-L69 HydrophobicContact CG-CG 4.38Å; Q37-L143 PolarHBondContact NE2-O 3.2Å; Q37-S145 PolarHBondContact OE1-O 3.31Å
38C93.4Very high93.2Very high10 Ų1057.9 Ų57.97%0.06830%0.297CS..  trans-65.8132.5178.3-72.90000111.2I34 K40 V42I34-C38 WeakPolarHBondContact O-CB 3.44Å; I34-C38 PolarHBondContact O-N 2.86Å; I34-C38 PolarHBondContact O-SG 3.22Å; C38-K40 VanDerWaalsContact C-N 3.34Å; C38-V42 HydrophobicContact CB-CG1 3.89Å; C38-V42 HydrophobicContact CB-CG2 3.9Å
39R83.4Confident93.1Very high134 Ų13458.6 Ų58.651%0.50630%0.297SS..SBendtrans-75.2-26.2178.5-57.7-176.4-170.8-169.75.6113.1Q37 A68 Y70 E72Q37-R39 PolarHBondContact O-N 2.9Å; R39-A68 HydrophobicContact CG-CB 4.31Å; R39-Y70 PolarHBondContact NH2-O 3.3Å; R39-Y70 VanDerWaalsContact NH2-O 3.1Å; R39-E72 IonicContact NH1-OE1 3.2Å; R39-E72 PolarHBondContact NH1-OE1 3.26Å
40K84.7Confident93Very high125 Ų12563.3 Ų63.354%0.54332%0.318SS..SBendtrans-98.6151.5176.5-62.3178.6-167.4157.80109C38 V42 E64C38-K40 VanDerWaalsContact C-N 3.34Å; K40-V42 PolarHBondContact O-N 3.38Å; K40-E64 IonicContact NZ-OE1 2.87Å; K40-E64 PolarHBondContact NZ-OE1 3.12Å; K40-E64 IonicContact NZ-OE2 3.63Å; K40-E64 PolarHBondContact NZ-OE2 2.89Å
41D88.6Confident93Very high153 Ų15366.3 Ų66.382%0.81833%0.334SS*.  trans-65.3107.9168.9-174.19.7000109.5G43D41-G43 VanDerWaalsContact C-N 3.33Å; D41-G43 WeakPolarHBondContact OD1-CA 3.33Å; D41-G43 PolarHBondContact OD1-N 3.22Å
42V89.5Confident93Very high28 Ų2866.2 Ų66.217%0.1733%0.334CS..  trans-94.44.9177.1-71.70000111.8T35 C38 K40 W55 V61 E64T35-V42 HydrophobicContact CG2-CG2 4.47Å; C38-V42 HydrophobicContact CB-CG1 3.89Å; C38-V42 HydrophobicContact CB-CG2 3.9Å; K40-V42 PolarHBondContact O-N 3.38Å; V42-W55 HydrophobicContact CB-CZ2 4.36Å; V42-W55 HydrophobicContact CG2-CZ2 3.85Å; V42-W55 PolarHBondContact O-NE1 3.42Å; V42-V61 HydrophobicContact CB-CG1 4.28Å; V42-V61 HydrophobicContact CB-CG2 4.26Å; V42-V61 HydrophobicContact CG2-CG1 4.43Å; V42-E64 HydrophobicContact CG1-CB 4.14Å; V42-E64 HydrophobicContact CG1-CG 4.36Å
43G91.1Very high93.1Very high30 Ų3063.6 Ų63.631%0.30932%0.321SS..  trans69.1169.5-170.900000112.5T35 D41 W55T35-G43 WeakPolarHBondContact CG2-O 3.41Å; D41-G43 VanDerWaalsContact C-N 3.33Å; D41-G43 WeakPolarHBondContact OD1-CA 3.33Å; D41-G43 PolarHBondContact OD1-N 3.22Å; G43-W55 WeakPolarHBondContact O-CZ2 3.07Å
44R93.1Very high93.1Very high158 Ų15868.2 Ų68.260%0.59635%0.346SS*.  trans-124.9118.3175.2-173.4173.2-178.4160.61.6109I31 T35I31-R44 HydrophobicContact CG2-CG 3.7Å; T35-R44 HydrophobicContact CG2-CB 4.22Å; T35-R44 HydrophobicContact CG2-CG 4.38Å
45P94.4Very high93.1Very high20 Ų2069.8 Ų69.813%0.1335%0.352CS..PPolyproline II helixtrans-70.2158.1177.631.3-35.9000110.4I31 N51 W55I31-P45 HydrophobicContact CD1-CG 3.99Å; I31-P45 HydrophobicContact CG1-CG 4.01Å; I31-P45 HydrophobicContact CG2-CG 4.32Å; P45-N51 HydrophobicContact CB-CB 4.39Å; P45-W55 HydrophobicContact CB-CB 3.96Å; P45-W55 HydrophobicContact CB-CD2 4.35Å; P45-W55 HydrophobicContact CB-CG 4.08Å; P45-W55 VanDerWaalsContact CD-CD2 3.5Å; P45-W55 HydrophobicContact CG-CB 4.08Å; P45-W55 HydrophobicContact CG-CD2 3.63Å; P45-W55 HydrophobicContact CG-CE3 3.55Å; P45-W55 HydrophobicContact CG-CG 3.88Å; P45-W55 HydrophobicContact CG-CZ3 4.12Å
46Q93.3Very high93.2Very high147 Ų14767.8 Ų67.869%0.68734%0.34SS*.PPolyproline II helixtrans-63.6150164.3-65.6-179.78.700109.4N51Q46-N51 WeakPolarHBondContact O-CB 3.17Å
47P90.4Very high93.2Very high84 Ų8467.5 Ų67.555%0.54533%0.333SS..SBendtrans-51.7148.9170.6-27.636.4000112.2N51P47-N51 PolarHBondContact O-ND2 2.97Å; P47-N51 VanDerWaalsContact O-ND2 3.15Å
48G93.6Very high93.1Very high29 Ų2969 Ų6930%0.29934%0.341SS..SBendtrans119138.517400000113.3E27 E50 N51 F52E27-G48 PolarHBondContact OE1-N 3.41Å; E27-G48 WeakPolarHBondContact OE2-CA 3.46Å; E27-G48 PolarHBondContact OE2-N 3.37Å; G48-E50 VanDerWaalsContact C-N 3.26Å; G48-E50 PolarHBondContact O-N 3.18Å; G48-E50 VanDerWaalsContact O-N 3.08Å; G48-N51 WeakPolarHBondContact O-CB 3.48Å; G48-N51 PolarHBondContact O-N 3.04Å; G48-F52 PolarHBondContact O-N 3.46Å
49R93.6Very high93.3Very high74 Ų7468.5 Ų68.528%0.27934%0.338SS..Hα-helixtrans-48.9-43.7-172.2175.3-176.6164.4-160.2-0.9113.6E19 Y22 E27 Q53 G119 M122E19-R49 IonicContact OE1-CZ 2.85Å; E19-R49 IonicContact OE1-NH1 3.45Å; E19-R49 PolarHBondContact OE1-NH1 3.01Å; E19-R49 IonicContact OE1-NH2 2.75Å; E19-R49 PolarHBondContact OE1-NH2 3.25Å; Y22-R49 HydrophobicContact CD2-CG 4.37Å; Y22-R49 HydrophobicContact CE1-CB 4.02Å; Y22-R49 HydrophobicContact CE1-CG 4.47Å; Y22-R49 HydrophobicContact CE2-CB 4.37Å; Y22-R49 HydrophobicContact CE2-CG 4.02Å; E27-R49 WeakPolarHBondContact OE2-CA 3.31Å; E27-R49 PolarHBondContact OE2-N 2.81Å; R49-Q53 WeakPolarHBondContact O-CB 3.43Å; R49-Q53 PolarHBondContact O-N 3.26Å; R49-G119 PolarHBondContact NH2-O 2.86Å; R49-G119 VanDerWaalsContact NH2-O 3.15Å; R49-M122 HydrophobicContact CG-CB 4.3Å; R49-M122 HydrophobicContact CG-CG 4.17Å
50E94.3Very high93.9Very high145 Ų14563.2 Ų63.268%0.67832%0.321SS*.Hα-helixtrans-68.5-41.2-178.4-64.7-175.117700112.1G48 Q53 N54G48-E50 VanDerWaalsContact C-N 3.26Å; G48-E50 PolarHBondContact O-N 3.18Å; G48-E50 VanDerWaalsContact O-N 3.08Å; E50-Q53 PolarHBondContact O-N 3.2Å; E50-N54 WeakPolarHBondContact O-CB 3.18Å; E50-N54 PolarHBondContact O-N 2.91Å; E50-N54 PolarHBondContact O-ND2 3.47Å; E50-N54 VanDerWaalsContact O-ND2 3.1Å
51N96.3Very high94.5Very high63 Ų6357.5 Ų57.534%0.33730%0.296SS..Hα-helixtrans-66.3-44.5177-66.5-43.5000110.6P45 Q46 P47 G48 Q53 N54 W55P45-N51 HydrophobicContact CB-CB 4.39Å; Q46-N51 WeakPolarHBondContact O-CB 3.17Å; P47-N51 PolarHBondContact O-ND2 2.97Å; P47-N51 VanDerWaalsContact O-ND2 3.15Å; G48-N51 WeakPolarHBondContact O-CB 3.48Å; G48-N51 PolarHBondContact O-N 3.04Å; N51-Q53 PolarHBondContact O-N 3.26Å; N51-N54 PolarHBondContact O-N 2.85Å; N51-W55 WeakPolarHBondContact O-CB 3.5Å; N51-W55 PolarHBondContact O-N 3.41Å
52F97.2Very high94.9Very high0 Ų050.2 Ų50.20%026%0.257CS..Hα-helixtrans-60.9-44.1175.4-174.3-109.9000112E27 L30 I31 I34 G48 W55 L56 M122 Q126 L129E27-F52 HydrophobicContact CG-CB 3.98Å; E27-F52 HydrophobicContact CG-CD1 4.28Å; E27-F52 HydrophobicContact CG-CD2 3.97Å; E27-F52 HydrophobicContact CG-CG 3.82Å; E27-F52 WeakPolarHBondContact OE2-CB 3.33Å; L30-F52 HydrophobicContact CB-CE2 4.27Å; L30-F52 HydrophobicContact CB-CZ 4.07Å; L30-F52 HydrophobicContact CD1-CZ 4.19Å; I31-F52 HydrophobicContact CD1-CD2 3.99Å; I31-F52 HydrophobicContact CG1-CD2 3.55Å; I31-F52 HydrophobicContact CG1-CE2 3.77Å; I34-F52 HydrophobicContact CD1-CE2 4.47Å; G48-F52 PolarHBondContact O-N 3.46Å; F52-W55 HydrophobicContact CD2-CE3 4.1Å; F52-W55 HydrophobicContact CD2-CZ3 4.39Å; F52-W55 HydrophobicContact CE2-CE3 4.19Å; F52-W55 HydrophobicContact CE2-CZ3 4.12Å; F52-W55 PolarHBondContact O-N 3.23Å; F52-L56 HydrophobicContact CD1-CD1 4.2Å; F52-L56 HydrophobicContact CE1-CD1 3.61Å; F52-L56 HydrophobicContact CE2-CD1 3.98Å; F52-L56 HydrophobicContact CZ-CD1 3.5Å; F52-L56 VanDerWaalsContact CZ-CD1 3.5Å; F52-L56 WeakPolarHBondContact O-CG 3.39Å; F52-L56 PolarHBondContact O-N 3.12Å; F52-M122 HydrophobicContact CD1-CE 3.81Å; F52-M122 HydrophobicContact CE1-CE 4.27Å; F52-Q126 HydrophobicContact CE1-CG 4.42Å; F52-L129 HydrophobicContact CZ-CD1 4.08Å
53Q97.2Very high95.3Very high25 Ų2548.9 Ų48.912%0.11725%0.249CC..Hα-helixtrans-59.5-53174-177.8-172.1-13.800111.1R49 E50 N51 W55 L56 K57 L116 G119 M122R49-Q53 WeakPolarHBondContact O-CB 3.43Å; R49-Q53 PolarHBondContact O-N 3.26Å; E50-Q53 PolarHBondContact O-N 3.2Å; N51-Q53 PolarHBondContact O-N 3.26Å; Q53-W55 PolarHBondContact O-N 2.99Å; Q53-L56 PolarHBondContact O-N 3.08Å; Q53-L56 VanDerWaalsContact O-N 3.12Å; Q53-K57 WeakPolarHBondContact O-CA 3.39Å; Q53-K57 WeakPolarHBondContact O-CB 3.4Å; Q53-K57 PolarHBondContact O-N 3.41Å; Q53-L116 HydrophobicContact CG-CD1 4.22Å; Q53-L116 WeakPolarHBondContact CG-O 3.33Å; Q53-L116 PolarHBondContact NE2-O 2.98Å; Q53-G119 VanDerWaalsContact CD-CA 3.47Å; Q53-M122 HydrophobicContact CB-CE 3.74Å; Q53-M122 HydrophobicContact CB-SD 3.85Å; Q53-M122 HydrophobicContact CG-CE 4.18Å; Q53-M122 HydrophobicContact CG-SD 3.71Å
54N96.5Very high95.5Very high97 Ų9748.7 Ų48.752%0.51924%0.24SC..Hα-helixtrans-60.2-35.2-176.6-74.7-32.3000112.3E50 N51E50-N54 WeakPolarHBondContact O-CB 3.18Å; E50-N54 PolarHBondContact O-N 2.91Å; E50-N54 PolarHBondContact O-ND2 3.47Å; E50-N54 VanDerWaalsContact O-ND2 3.1Å; N51-N54 PolarHBondContact O-N 2.85Å
55W97.3Very high95.7Very high33 Ų3341.2 Ų41.213%0.12521%0.212CC..Hα-helixtrans-65.2-38.3176.4-17750.8000113.2I31 I34 T35 V42 G43 P45 N51 F52 Q53 V61I31-W55 HydrophobicContact CG1-CZ3 4.26Å; I34-W55 HydrophobicContact CB-CH2 3.78Å; I34-W55 HydrophobicContact CB-CZ3 4.23Å; I34-W55 HydrophobicContact CD1-CH2 4.43Å; I34-W55 HydrophobicContact CD1-CZ3 4.03Å; I34-W55 HydrophobicContact CG2-CH2 3.44Å; I34-W55 VanDerWaalsContact CG2-CH2 3.44Å; I34-W55 HydrophobicContact CG2-CZ2 4.09Å; I34-W55 HydrophobicContact CG2-CZ3 4.08Å; T35-W55 HydrophobicContact CG2-CH2 4.06Å; T35-W55 HydrophobicContact CG2-CZ2 4.12Å; V42-W55 HydrophobicContact CB-CZ2 4.36Å; V42-W55 HydrophobicContact CG2-CZ2 3.85Å; V42-W55 PolarHBondContact O-NE1 3.42Å; G43-W55 WeakPolarHBondContact O-CZ2 3.07Å; P45-W55 HydrophobicContact CB-CB 3.96Å; P45-W55 HydrophobicContact CB-CD2 4.35Å; P45-W55 HydrophobicContact CB-CG 4.08Å; P45-W55 VanDerWaalsContact CD-CD2 3.5Å; P45-W55 HydrophobicContact CG-CB 4.08Å; P45-W55 HydrophobicContact CG-CD2 3.63Å; P45-W55 HydrophobicContact CG-CE3 3.55Å; P45-W55 HydrophobicContact CG-CG 3.88Å; P45-W55 HydrophobicContact CG-CZ3 4.12Å; N51-W55 WeakPolarHBondContact O-CB 3.5Å; N51-W55 PolarHBondContact O-N 3.41Å; F52-W55 HydrophobicContact CD2-CE3 4.1Å; F52-W55 HydrophobicContact CD2-CZ3 4.39Å; F52-W55 HydrophobicContact CE2-CE3 4.19Å; F52-W55 HydrophobicContact CE2-CZ3 4.12Å; F52-W55 PolarHBondContact O-N 3.23Å; Q53-W55 PolarHBondContact O-N 2.99Å; W55-V61 HydrophobicContact CD2-CG1 4.34Å; W55-V61 HydrophobicContact CD2-CG2 4.42Å; W55-V61 HydrophobicContact CG-CG2 4.46Å; W55-V61 HydrophobicContact CH2-CG1 4.05Å; W55-V61 HydrophobicContact CZ2-CG1 3.73Å; W55-V61 HydrophobicContact CZ2-CG2 4.5Å; W55-V61 HydrophobicContact CZ3-CG1 4.45Å; W55-V61 WeakPolarHBondContact O-CG2 3.37Å
56L97.3Very high95.8Very high0 Ų040.2 Ų40.20%021%0.206CC..Hα-helixtrans-89.8-17.4179.8-60.8-179.2000113.5I34 F52 Q53 D58 G59 V61 L62 L116 V125 L129I34-L56 HydrophobicContact CD1-CD2 4.35Å; F52-L56 HydrophobicContact CD1-CD1 4.2Å; F52-L56 HydrophobicContact CE1-CD1 3.61Å; F52-L56 HydrophobicContact CE2-CD1 3.98Å; F52-L56 HydrophobicContact CZ-CD1 3.5Å; F52-L56 VanDerWaalsContact CZ-CD1 3.5Å; F52-L56 WeakPolarHBondContact O-CG 3.39Å; F52-L56 PolarHBondContact O-N 3.12Å; Q53-L56 PolarHBondContact O-N 3.08Å; Q53-L56 VanDerWaalsContact O-N 3.12Å; L56-D58 VanDerWaalsContact C-N 3.3Å; L56-D58 PolarHBondContact O-N 2.96Å; L56-G59 PolarHBondContact O-N 2.95Å; L56-V61 HydrophobicContact CD2-CB 3.95Å; L56-V61 HydrophobicContact CD2-CG1 3.71Å; L56-L62 HydrophobicContact CB-CG 4.4Å; L56-L62 HydrophobicContact CD1-CD2 4.34Å; L56-L62 HydrophobicContact CD2-CD2 3.99Å; L56-L62 HydrophobicContact CD2-CG 4.22Å; L56-L116 HydrophobicContact CB-CD1 3.81Å; L56-L116 HydrophobicContact CB-CD2 4.08Å; L56-V125 HydrophobicContact CD1-CG1 4.37Å; L56-L129 HydrophobicContact CD1-CD1 3.94Å
57K96.3Very high96Very high57 Ų5734.3 Ų34.325%0.24818%0.179CC..THydrogen-bonded Turntrans-62.2-29-167.5175.6167.3179163.40114.8Q53 G59 I93 W117Q53-K57 WeakPolarHBondContact O-CA 3.39Å; Q53-K57 WeakPolarHBondContact O-CB 3.4Å; Q53-K57 PolarHBondContact O-N 3.41Å; K57-G59 VanDerWaalsContact C-N 3.26Å; K57-I93 WeakPolarHBondContact O-CD1 3.25Å; K57-W117 WeakPolarHBondContact CE-O 3.36Å; K57-W117 HydrophobicContact CG-CG 4.41Å; K57-W117 PolarHBondContact NZ-O 2.66Å
58D94.6Very high96.2Very high36 Ų3630.5 Ų30.519%0.19316%0.155CC..THydrogen-bonded Turntrans-78.4-13.5177.177.6-1.7000113.1L56 T60 Q89 Q92L56-D58 VanDerWaalsContact C-N 3.3Å; L56-D58 PolarHBondContact O-N 2.96Å; D58-T60 VanDerWaalsContact C-N 3.28Å; D58-T60 VanDerWaalsContact CG-OG1 3.24Å; D58-T60 PolarHBondContact O-N 2.9Å; D58-T60 WeakPolarHBondContact OD1-CB 3.43Å; D58-T60 PolarHBondContact OD1-N 3.43Å; D58-T60 PolarHBondContact OD1-OG1 2.9Å; D58-T60 WeakPolarHBondContact OD2-CG2 3.27Å; D58-T60 PolarHBondContact OD2-OG1 3.1Å; D58-T60 VanDerWaalsContact OD2-OG1 3.09Å; D58-Q89 HydrophobicContact CB-CG 4.2Å; D58-Q92 PolarHBondContact O-OE1 3.15Å
59G95.8Very high96.3Very high0 Ų029.2 Ų29.20%014%0.141CC..SBendtrans82.1-8.6-179.500000114.8L56 K57 L62 C63L56-G59 PolarHBondContact O-N 2.95Å; K57-G59 VanDerWaalsContact C-N 3.26Å; G59-L62 PolarHBondContact O-N 3.34Å; G59-C63 PolarHBondContact O-N 3Å; G59-C63 PolarHBondContact O-SG 3.17Å
60T96.3Very high96.4Very high23 Ų2327.8 Ų27.814%0.14114%0.136CC..Hα-helixtrans-65.3-49.2-175.3610000111.7D58 L62 C63 E64 I80 A82D58-T60 VanDerWaalsContact C-N 3.28Å; D58-T60 VanDerWaalsContact CG-OG1 3.24Å; D58-T60 PolarHBondContact O-N 2.9Å; D58-T60 WeakPolarHBondContact OD1-CB 3.43Å; D58-T60 PolarHBondContact OD1-N 3.43Å; D58-T60 PolarHBondContact OD1-OG1 2.9Å; D58-T60 WeakPolarHBondContact OD2-CG2 3.27Å; D58-T60 PolarHBondContact OD2-OG1 3.1Å; D58-T60 VanDerWaalsContact OD2-OG1 3.09Å; T60-L62 VanDerWaalsContact C-N 3.3Å; T60-L62 PolarHBondContact O-N 3Å; T60-C63 PolarHBondContact O-N 3.38Å; T60-E64 WeakPolarHBondContact O-CG 3.5Å; T60-E64 PolarHBondContact O-N 3.2Å; T60-I80 HydrophobicContact CG2-CG2 4.18Å; T60-A82 HydrophobicContact CG2-CB 3.99Å
61V97.4Very high96.3Very high5 Ų523.2 Ų23.23%0.0312%0.119CC..Hα-helixtrans-59.7-41.5178.8-179.30000111.1I34 V42 W55 L56 E64 L65I34-V61 HydrophobicContact CG2-CG1 3.53Å; V42-V61 HydrophobicContact CB-CG1 4.28Å; V42-V61 HydrophobicContact CB-CG2 4.26Å; V42-V61 HydrophobicContact CG2-CG1 4.43Å; W55-V61 HydrophobicContact CD2-CG1 4.34Å; W55-V61 HydrophobicContact CD2-CG2 4.42Å; W55-V61 HydrophobicContact CG-CG2 4.46Å; W55-V61 HydrophobicContact CH2-CG1 4.05Å; W55-V61 HydrophobicContact CZ2-CG1 3.73Å; W55-V61 HydrophobicContact CZ2-CG2 4.5Å; W55-V61 HydrophobicContact CZ3-CG1 4.45Å; W55-V61 WeakPolarHBondContact O-CG2 3.37Å; L56-V61 HydrophobicContact CD2-CB 3.95Å; L56-V61 HydrophobicContact CD2-CG1 3.71Å; V61-E64 PolarHBondContact O-N 3.41Å; V61-L65 WeakPolarHBondContact O-CB 3.27Å; V61-L65 PolarHBondContact O-N 2.88Å
62L97.7Very high95.8Very high0 Ų028.1 Ų28.10%014%0.14CC..Hα-helixtrans-64.2-42.7177.6-68.6177.6000112L56 G59 T60 L65 I66 I93 F96 F111 L116 L129L56-L62 HydrophobicContact CB-CG 4.4Å; L56-L62 HydrophobicContact CD1-CD2 4.34Å; L56-L62 HydrophobicContact CD2-CD2 3.99Å; L56-L62 HydrophobicContact CD2-CG 4.22Å; G59-L62 PolarHBondContact O-N 3.34Å; T60-L62 VanDerWaalsContact C-N 3.3Å; T60-L62 PolarHBondContact O-N 3Å; L62-L65 WeakPolarHBondContact O-CB 3.44Å; L62-L65 PolarHBondContact O-N 3.14Å; L62-I66 PolarHBondContact O-N 3.23Å; L62-I93 HydrophobicContact CD1-CG1 4.5Å; L62-F96 HydrophobicContact CB-CB 3.97Å; L62-F96 HydrophobicContact CB-CD1 4.17Å; L62-F96 HydrophobicContact CB-CD2 3.81Å; L62-F96 HydrophobicContact CB-CE2 4.36Å; L62-F96 HydrophobicContact CB-CG 3.69Å; L62-F96 HydrophobicContact CD1-CD1 4.04Å; L62-F96 HydrophobicContact CD1-CE1 4.45Å; L62-F96 HydrophobicContact CD1-CG 4.37Å; L62-F96 HydrophobicContact CD2-CD1 4.49Å; L62-F96 HydrophobicContact CD2-CE1 4.29Å; L62-F96 HydrophobicContact CD2-CE2 4.4Å; L62-F96 HydrophobicContact CD2-CZ 4.23Å; L62-F96 HydrophobicContact CG-CD1 4.49Å; L62-F96 HydrophobicContact CG-CG 4.48Å; L62-F96 WeakPolarHBondContact O-CD2 3.41Å; L62-F111 HydrophobicContact CD1-CZ 4.06Å; L62-L116 HydrophobicContact CD1-CD2 3.44Å; L62-L116 VanDerWaalsContact CD1-CD2 3.44Å; L62-L129 HydrophobicContact CD2-CD2 3.81Å
63C97Very high95.3Very high0 Ų032.1 Ų32.10%018%0.181CC..Hα-helixtrans-66.9-39.4176.5-65.90000112.3G59 T60 L65 I66 N67 V77 I80 Q92G59-C63 PolarHBondContact O-N 3Å; G59-C63 PolarHBondContact O-SG 3.17Å; T60-C63 PolarHBondContact O-N 3.38Å; C63-L65 VanDerWaalsContact C-N 3.33Å; C63-I66 WeakPolarHBondContact O-CG2 3.44Å; C63-N67 VanDerWaalsContact O-CB 3.23Å; C63-N67 WeakPolarHBondContact O-CB 3.39Å; C63-N67 PolarHBondContact O-N 3.19Å; C63-N67 PolarHBondContact O-ND2 3.42Å; C63-V77 HydrophobicContact CB-CB 4.2Å; C63-V77 HydrophobicContact CB-CG1 3.91Å; C63-V77 HydrophobicContact CB-CG2 4.38Å; C63-I80 HydrophobicContact CB-CD1 3.49Å; C63-I80 VanDerWaalsContact CB-CD1 3.49Å; C63-I80 HydrophobicContact CB-CG1 3.68Å; C63-I80 HydrophobicContact CB-CG2 4.42Å; C63-Q92 WeakPolarHBondContact SG-CG 3.29Å; C63-Q92 PolarHBondContact SG-O 3.18Å; C63-Q92 VanDerWaalsContact SG-O 3.37Å
64E96.3Very high95Very high27 Ų2737.2 Ų37.213%0.12620%0.204CC..Hα-helixtrans-64.6-40.1174.6-68-66.3168.900111K40 V42 T60 V61 N67 A68 I80K40-E64 IonicContact NZ-OE1 2.87Å; K40-E64 PolarHBondContact NZ-OE1 3.12Å; K40-E64 IonicContact NZ-OE2 3.63Å; K40-E64 PolarHBondContact NZ-OE2 2.89Å; V42-E64 HydrophobicContact CG1-CB 4.14Å; V42-E64 HydrophobicContact CG1-CG 4.36Å; T60-E64 WeakPolarHBondContact O-CG 3.5Å; T60-E64 PolarHBondContact O-N 3.2Å; V61-E64 PolarHBondContact O-N 3.41Å; E64-N67 PolarHBondContact O-N 3.28Å; E64-A68 WeakPolarHBondContact O-CB 3.21Å; E64-A68 PolarHBondContact O-N 3.4Å; E64-I80 VanDerWaalsContact CD-CD1 3.46Å; E64-I80 HydrophobicContact CG-CD1 3.86Å; E64-I80 HydrophobicContact CG-CG2 4.31Å; E64-I80 WeakPolarHBondContact OE1-CD1 3.48Å
65L97.4Very high94.8Very high0 Ų034 Ų340%019%0.192CC..Hα-helixtrans-59-55.3176.7176.467.2000111.8W33 I34 Q37 V61 L62 C63 N67 A68 L69 L129 L132W33-L65 HydrophobicContact CE3-CD1 4.48Å; W33-L65 HydrophobicContact CH2-CD1 4Å; W33-L65 HydrophobicContact CH2-CD2 4.13Å; W33-L65 HydrophobicContact CH2-CG 4.38Å; W33-L65 HydrophobicContact CZ2-CD1 4.11Å; W33-L65 HydrophobicContact CZ3-CD1 4.2Å; W33-L65 HydrophobicContact CZ3-CD2 3.95Å; I34-L65 HydrophobicContact CB-CD1 4.45Å; I34-L65 HydrophobicContact CD1-CD2 4.38Å; I34-L65 HydrophobicContact CG1-CD1 4.12Å; I34-L65 HydrophobicContact CG1-CD2 3.92Å; I34-L65 HydrophobicContact CG2-CD1 4.45Å; Q37-L65 HydrophobicContact CB-CD1 3.82Å; Q37-L65 HydrophobicContact CG-CD1 3.71Å; V61-L65 WeakPolarHBondContact O-CB 3.27Å; V61-L65 PolarHBondContact O-N 2.88Å; L62-L65 WeakPolarHBondContact O-CB 3.44Å; L62-L65 PolarHBondContact O-N 3.14Å; C63-L65 VanDerWaalsContact C-N 3.33Å; L65-N67 VanDerWaalsContact C-N 3.3Å; L65-N67 PolarHBondContact O-N 3.19Å; L65-A68 PolarHBondContact O-N 3.22Å; L65-L69 PolarHBondContact O-N 3.21Å; L65-L129 HydrophobicContact CD2-CD2 3.8Å; L65-L132 HydrophobicContact CD2-CD2 4.17Å
66I96.8Very high94.6Very high0 Ų034.7 Ų34.70%020%0.2CC..Hα-helixtrans-65.6-37.1-178.6-169.161.1000111L62 C63 A68 L69 Y70 P76 V77 F96 A99 Y103 L132L62-I66 PolarHBondContact O-N 3.23Å; C63-I66 WeakPolarHBondContact O-CG2 3.44Å; I66-A68 VanDerWaalsContact C-N 3.3Å; I66-A68 PolarHBondContact O-N 3.1Å; I66-L69 HydrophobicContact CD1-CD1 4.22Å; I66-L69 WeakPolarHBondContact O-CB 3.36Å; I66-L69 PolarHBondContact O-N 3.44Å; I66-Y70 HydrophobicContact CD1-CE2 4.13Å; I66-Y70 HydrophobicContact CG1-CE2 4.17Å; I66-Y70 VanDerWaalsContact O-CD2 3.27Å; I66-Y70 WeakPolarHBondContact O-CD2 3.5Å; I66-P76 HydrophobicContact CG1-CG 4.13Å; I66-P76 HydrophobicContact CG2-CG 4.33Å; I66-V77 HydrophobicContact CG2-CG2 4.25Å; I66-F96 HydrophobicContact CB-CD2 3.87Å; I66-F96 HydrophobicContact CB-CE2 4.11Å; I66-F96 HydrophobicContact CG2-CD2 3.91Å; I66-A99 HydrophobicContact CG1-CB 3.78Å; I66-A99 HydrophobicContact CG2-CB 4.24Å; I66-Y103 HydrophobicContact CD1-CD2 4.32Å; I66-Y103 HydrophobicContact CD1-CG 4.23Å; I66-L132 HydrophobicContact CD1-CD1 3.83Å; I66-L132 HydrophobicContact CD1-CD2 4.16Å
67N96.5Very high94.5Very high22 Ų2234.9 Ų34.912%0.11820%0.201CC..Hα-helixtrans-63.8-35.7176.5-79.4-5.9000112.8C63 E64 L65 L69 Y70 A75 P76 V77 I80C63-N67 VanDerWaalsContact O-CB 3.23Å; C63-N67 WeakPolarHBondContact O-CB 3.39Å; C63-N67 PolarHBondContact O-N 3.19Å; C63-N67 PolarHBondContact O-ND2 3.42Å; E64-N67 PolarHBondContact O-N 3.28Å; L65-N67 VanDerWaalsContact C-N 3.3Å; L65-N67 PolarHBondContact O-N 3.19Å; N67-L69 PolarHBondContact O-N 2.99Å; N67-Y70 PolarHBondContact O-N 3.34Å; N67-Y70 VanDerWaalsContact O-N 3.12Å; N67-A75 HydrophobicContact CB-CB 4.04Å; N67-P76 VanDerWaalsContact OD1-CD 3.31Å; N67-P76 WeakPolarHBondContact OD1-CD 3.43Å; N67-V77 PolarHBondContact ND2-O 3.33Å; N67-V77 PolarHBondContact OD1-N 3.1Å; N67-V77 PolarHBondContact OD1-O 3.49Å; N67-I80 VanDerWaalsContact ND2-CD1 3.33Å; N67-I80 WeakPolarHBondContact ND2-CD1 3.48Å
68A95.7Very high94.2Very high5 Ų541.8 Ų41.84%0.04123%0.232CC..Hα-helixtrans-66.3-25.317900000112.9Q37 R39 E64 L65 I66 Y70Q37-A68 HydrophobicContact CG-CB 4.31Å; Q37-A68 WeakPolarHBondContact O-CB 3.34Å; R39-A68 HydrophobicContact CG-CB 4.31Å; E64-A68 WeakPolarHBondContact O-CB 3.21Å; E64-A68 PolarHBondContact O-N 3.4Å; L65-A68 PolarHBondContact O-N 3.22Å; I66-A68 VanDerWaalsContact C-N 3.3Å; I66-A68 PolarHBondContact O-N 3.1Å; A68-Y70 PolarHBondContact O-N 3.47Å
69L95.4Very high94Very high1 Ų147.2 Ų47.21%0.00525%0.254CS..THydrogen-bonded Turntrans-77.6-2.8174.8-63.7175.7000113.8Q37 L65 I66 N67 Y103 L132 A136 L143Q37-L69 VanDerWaalsContact CD-CD2 3.46Å; Q37-L69 HydrophobicContact CG-CD2 3.95Å; Q37-L69 HydrophobicContact CG-CG 4.38Å; L65-L69 PolarHBondContact O-N 3.21Å; I66-L69 HydrophobicContact CD1-CD1 4.22Å; I66-L69 WeakPolarHBondContact O-CB 3.36Å; I66-L69 PolarHBondContact O-N 3.44Å; N67-L69 PolarHBondContact O-N 2.99Å; L69-Y103 HydrophobicContact CB-CE2 4.05Å; L69-Y103 HydrophobicContact CD1-CE1 4.41Å; L69-L132 HydrophobicContact CD1-CD1 3.92Å; L69-L132 HydrophobicContact CD1-CD2 4.06Å; L69-L132 HydrophobicContact CD1-CG 3.83Å; L69-A136 HydrophobicContact CD1-CB 4.28Å; L69-A136 HydrophobicContact CD2-CB 3.68Å; L69-L143 WeakPolarHBondContact O-CD1 3.35Å
70Y94.7Very high93.8Very high45 Ų4549.2 Ų49.218%0.17626%0.264CS..SBendtrans-111154.2174.1-75.7-102.9000110.8R39 I66 N67 A68 Q74 P76 Y103R39-Y70 PolarHBondContact NH2-O 3.3Å; R39-Y70 VanDerWaalsContact NH2-O 3.1Å; I66-Y70 HydrophobicContact CD1-CE2 4.13Å; I66-Y70 HydrophobicContact CG1-CE2 4.17Å; I66-Y70 VanDerWaalsContact O-CD2 3.27Å; I66-Y70 WeakPolarHBondContact O-CD2 3.5Å; N67-Y70 PolarHBondContact O-N 3.34Å; N67-Y70 VanDerWaalsContact O-N 3.12Å; A68-Y70 PolarHBondContact O-N 3.47Å; Y70-Q74 HydrophobicContact CD1-CB 4.45Å; Y70-Q74 WeakPolarHBondContact CD1-O 3.36Å; Y70-P76 HydrophobicContact CD2-CG 3.99Å; Y70-P76 HydrophobicContact CE2-CG 3.78Å; Y70-Y103 HydrophobicContact CD2-CD2 4.5Å; Y70-Y103 AromaticContact CE2-CD2 3.6Å; Y70-Y103 HydrophobicContact CE2-CD2 3.6Å; Y70-Y103 HydrophobicContact CE2-CE2 4.11Å; Y70-Y103 AromaticContact CZ-CD2 3.74Å
71P92.5Very high93.6Very high49 Ų4953.5 Ų53.532%0.31828%0.282SS..  trans-59.7158.8169.5-21.132.4000112.2G73 Q74 L143P71-G73 PolarHBondContact O-N 3.36Å; P71-Q74 PolarHBondContact O-N 3.13Å; P71-L143 HydrophobicContact CG-CD1 3.89Å
72E85.9Confident93.3Very high166 Ų16656.6 Ų56.678%0.77631%0.308SS*.THydrogen-bonded Turntrans-57133.8173.2-67.2-170.3177.700111.1R39 Q74R39-E72 IonicContact NH1-OE1 3.2Å; R39-E72 PolarHBondContact NH1-OE1 3.26Å; E72-Q74 VanDerWaalsContact C-N 3.27Å; E72-Q74 PolarHBondContact O-N 2.99Å
73G85.9Confident93Very high84 Ų8457.7 Ų57.787%0.86632%0.316SS*.THydrogen-bonded Turntrans83-12.8-176.900000115.6P71P71-G73 PolarHBondContact O-N 3.36Å
74Q91.6Very high92.8Very high131 Ų13164.2 Ų64.261%0.61236%0.356SS*.  trans-104.97.5176.4-62.3-17222.900113.6Y70 P71 E72Y70-Q74 HydrophobicContact CD1-CB 4.45Å; Y70-Q74 WeakPolarHBondContact CD1-O 3.36Å; P71-Q74 PolarHBondContact O-N 3.13Å; E72-Q74 VanDerWaalsContact C-N 3.27Å; E72-Q74 PolarHBondContact O-N 2.99Å
75A93Very high92.7Very high31 Ų3167.7 Ų67.726%0.25637%0.373SS..  trans-54.8124.5177.400000111.6N67 V77N67-A75 HydrophobicContact CB-CB 4.04Å; A75-V77 VanDerWaalsContact C-N 3.31Å; A75-V77 PolarHBondContact O-N 3.35Å
76P93.6Very high92.6Very high46 Ų4669.6 Ų69.630%0.29939%0.389SS..SBendtrans-68.7-29.7-176.826-34.7000112.7I66 N67 Y70 A99I66-P76 HydrophobicContact CG1-CG 4.13Å; I66-P76 HydrophobicContact CG2-CG 4.33Å; N67-P76 VanDerWaalsContact OD1-CD 3.31Å; N67-P76 WeakPolarHBondContact OD1-CD 3.43Å; Y70-P76 HydrophobicContact CD2-CG 3.99Å; Y70-P76 HydrophobicContact CE2-CG 3.78Å; P76-A99 HydrophobicContact CB-CB 3.74Å; P76-A99 HydrophobicContact CG-CB 3.67Å
77V94.1Very high92.5Very high4 Ų476.1 Ų76.12%0.02442%0.418CS..  trans-107.2100.4-179.2-174.90000110.2C63 I66 N67 A75 I80 Q95C63-V77 HydrophobicContact CB-CB 4.2Å; C63-V77 HydrophobicContact CB-CG1 3.91Å; C63-V77 HydrophobicContact CB-CG2 4.38Å; I66-V77 HydrophobicContact CG2-CG2 4.25Å; N67-V77 PolarHBondContact ND2-O 3.33Å; N67-V77 PolarHBondContact OD1-N 3.1Å; N67-V77 PolarHBondContact OD1-O 3.49Å; A75-V77 VanDerWaalsContact C-N 3.31Å; A75-V77 PolarHBondContact O-N 3.35Å; V77-I80 HydrophobicContact CG1-CG1 3.95Å; V77-Q95 HydrophobicContact CG1-CB 4.46Å; V77-Q95 HydrophobicContact CG2-CB 4.14Å
78K90Very high92.4Very high203 Ų20379.2 Ų79.288%0.88343%0.43SS*.  trans-75.8-34.3-174.3-64.1-175.8179.2-178.10114.2
79K89.8Confident92.4Very high150 Ų15080.4 Ų80.465%0.65244%0.435SS*.  trans-118.8100.8-172.2-170.3177.1-177.5176.60110.3
80I92.6Very high92.5Very high42 Ų4283.1 Ų83.122%0.21545%0.448CS..  trans-104.3116.8175-57.6178.5000107.4T60 C63 E64 N67 V77 Q92T60-I80 HydrophobicContact CG2-CG2 4.18Å; C63-I80 HydrophobicContact CB-CD1 3.49Å; C63-I80 VanDerWaalsContact CB-CD1 3.49Å; C63-I80 HydrophobicContact CB-CG1 3.68Å; C63-I80 HydrophobicContact CB-CG2 4.42Å; E64-I80 VanDerWaalsContact CD-CD1 3.46Å; E64-I80 HydrophobicContact CG-CD1 3.86Å; E64-I80 HydrophobicContact CG-CG2 4.31Å; E64-I80 WeakPolarHBondContact OE1-CD1 3.48Å; N67-I80 VanDerWaalsContact ND2-CD1 3.33Å; N67-I80 WeakPolarHBondContact ND2-CD1 3.48Å; V77-I80 HydrophobicContact CG1-CG1 3.95Å; I80-Q92 VanDerWaalsContact CG2-NE2 3.34Å
81Q91.2Very high92.6Very high113 Ų11385.9 Ų85.953%0.52846%0.463SS..  trans-144117.2179.1-176.7179.5-800110.1S83 Q92Q81-S83 PolarHBondContact O-N 3.49Å; Q81-Q92 PolarHBondContact O-OE1 2.85Å
82A91.1Very high92.8Very high70 Ų7084 Ų8458%0.57945%0.45SS*.  trans-57135.1172.600000110.5T60T60-A82 HydrophobicContact CG2-CB 3.99Å
83S92Very high93.3Very high22 Ų2276 Ų7615%0.15441%0.413CS..  trans-145.6139.5-177.7170.10000110.1Q81 M85 K88 Q89Q81-S83 PolarHBondContact O-N 3.49Å; S83-M85 VanDerWaalsContact C-N 3.31Å; S83-M85 WeakPolarHBondContact OG-CB 3.37Å; S83-M85 PolarHBondContact OG-N 3.49Å; S83-K88 WeakPolarHBondContact OG-CB 3.45Å; S83-K88 WeakPolarHBondContact OG-CD 3.36Å; S83-Q89 VanDerWaalsContact O-CG 3.28Å; S83-Q89 WeakPolarHBondContact O-CG 3.38Å; S83-Q89 PolarHBondContact O-NE2 3.43Å
84T92.8Very high93.9Very high138 Ų13873.5 Ų73.585%0.84738%0.382SS*.SBendtrans-80.3-15171.754.90000112.5A86T84-A86 PolarHBondContact O-N 2.75Å
85M94.9Very high94.2Very high99 Ų9970 Ų7049%0.48837%0.365SS..  trans-73.3119.1179.2-59.8177.5173.500111.1S83 F87 K88 Q89S83-M85 VanDerWaalsContact C-N 3.31Å; S83-M85 WeakPolarHBondContact OG-CB 3.37Å; S83-M85 PolarHBondContact OG-N 3.49Å; M85-F87 VanDerWaalsContact C-N 3.31Å; M85-F87 HydrophobicContact CB-CD1 3.96Å; M85-F87 HydrophobicContact CB-CE1 3.86Å; M85-F87 HydrophobicContact CG-CE1 4.32Å; M85-F87 PolarHBondContact O-N 2.96Å; M85-F87 HydrophobicContact SD-CE1 3.65Å; M85-F87 HydrophobicContact SD-CZ 4.2Å; M85-K88 HydrophobicContact CB-CB 4.37Å; M85-K88 HydrophobicContact CB-CG 4.21Å; M85-K88 PolarHBondContact O-N 2.96Å; M85-K88 HydrophobicContact SD-CD 4.36Å; M85-Q89 PolarHBondContact O-N 2.97Å
86A93.7Very high94.4Very high41 Ų4168.5 Ų68.534%0.33935%0.353SS..Hα-helixtrans-50.1-45.6-178.800000113.9T84 K88 Q89 M90 W117T84-A86 PolarHBondContact O-N 2.75Å; A86-K88 VanDerWaalsContact C-N 3.29Å; A86-K88 PolarHBondContact O-N 3.45Å; A86-Q89 PolarHBondContact O-N 2.99Å; A86-M90 WeakPolarHBondContact O-CG 3.44Å; A86-M90 PolarHBondContact O-N 2.93Å; A86-W117 HydrophobicContact CB-CH2 3.98Å; A86-W117 HydrophobicContact CB-CZ2 3.4Å; A86-W117 VanDerWaalsContact CB-CZ2 3.4Å
87F94.8Very high94.6Very high136 Ų13667.2 Ų67.260%0.59634%0.344SS*.Hα-helixtrans-63.6-34.7-17983.9-92.7000112.4M85 E91M85-F87 VanDerWaalsContact C-N 3.31Å; M85-F87 HydrophobicContact CB-CD1 3.96Å; M85-F87 HydrophobicContact CB-CE1 3.86Å; M85-F87 HydrophobicContact CG-CE1 4.32Å; M85-F87 PolarHBondContact O-N 2.96Å; M85-F87 HydrophobicContact SD-CE1 3.65Å; M85-F87 HydrophobicContact SD-CZ 4.2Å; F87-E91 VanDerWaalsContact O-CB 3.29Å; F87-E91 WeakPolarHBondContact O-CB 3.39Å; F87-E91 PolarHBondContact O-N 2.87Å
88K95.2Very high94.8Very high87 Ų8771.2 Ų71.238%0.37836%0.362SS..Hα-helixtrans-71.4-39.3178-69.2-160.9-180177.70111.6S83 M85 A86 E91 Q92S83-K88 WeakPolarHBondContact OG-CB 3.45Å; S83-K88 WeakPolarHBondContact OG-CD 3.36Å; M85-K88 HydrophobicContact CB-CB 4.37Å; M85-K88 HydrophobicContact CB-CG 4.21Å; M85-K88 PolarHBondContact O-N 2.96Å; M85-K88 HydrophobicContact SD-CD 4.36Å; A86-K88 VanDerWaalsContact C-N 3.29Å; A86-K88 PolarHBondContact O-N 3.45Å; K88-E91 PolarHBondContact O-N 3.2Å; K88-Q92 WeakPolarHBondContact O-CB 3.36Å; K88-Q92 PolarHBondContact O-N 3.44Å
89Q96.6Very high95.1Very high30 Ų3061.7 Ų61.714%0.1432%0.321CS..Hα-helixtrans-62-47.5175.1-63.3176.7-22.900110.7D58 S83 M85 A86 E91 Q92 I93D58-Q89 HydrophobicContact CB-CG 4.2Å; S83-Q89 VanDerWaalsContact O-CG 3.28Å; S83-Q89 WeakPolarHBondContact O-CG 3.38Å; S83-Q89 PolarHBondContact O-NE2 3.43Å; M85-Q89 PolarHBondContact O-N 2.97Å; A86-Q89 PolarHBondContact O-N 2.99Å; Q89-E91 VanDerWaalsContact C-N 3.35Å; Q89-E91 PolarHBondContact O-N 2.89Å; Q89-Q92 PolarHBondContact O-N 3.21Å; Q89-I93 WeakPolarHBondContact O-CG1 3.36Å; Q89-I93 PolarHBondContact O-N 3.09Å
90M96.4Very high95.5Very high59 Ų5954.6 Ų54.629%0.29129%0.29SS..Hα-helixtrans-60.5-42.4176.6-71.4-176.9178.400112.7A86 Q92 I93 S94 T113 W117A86-M90 WeakPolarHBondContact O-CG 3.44Å; A86-M90 PolarHBondContact O-N 2.93Å; M90-Q92 VanDerWaalsContact C-N 3.33Å; M90-I93 PolarHBondContact O-N 3.41Å; M90-S94 WeakPolarHBondContact O-CB 3.35Å; M90-S94 PolarHBondContact O-N 3.03Å; M90-T113 HydrophobicContact CB-CG2 3.73Å; M90-T113 HydrophobicContact CG-CG2 3.83Å; M90-W117 HydrophobicContact CE-CD2 3.37Å; M90-W117 HydrophobicContact CE-CE3 3.1Å; M90-W117 HydrophobicContact CE-CG 4.06Å; M90-W117 HydrophobicContact CE-CH2 3.89Å; M90-W117 HydrophobicContact CE-CZ2 4.12Å; M90-W117 HydrophobicContact CE-CZ3 3.38Å; M90-W117 HydrophobicContact CG-CD2 4.22Å; M90-W117 HydrophobicContact CG-CG 4.06Å
91E96.3Very high95.6Very high102 Ų10257.2 Ų57.248%0.47730%0.302SS..Hα-helixtrans-65-37.8176.2-179.857.3-157.200111.9F87 K88 Q89 S94 Q95F87-E91 VanDerWaalsContact O-CB 3.29Å; F87-E91 WeakPolarHBondContact O-CB 3.39Å; F87-E91 PolarHBondContact O-N 2.87Å; K88-E91 PolarHBondContact O-N 3.2Å; Q89-E91 VanDerWaalsContact C-N 3.35Å; Q89-E91 PolarHBondContact O-N 2.89Å; E91-S94 WeakPolarHBondContact O-CB 3.41Å; E91-S94 PolarHBondContact O-N 3.15Å; E91-Q95 WeakPolarHBondContact O-CG 3.38Å; E91-Q95 PolarHBondContact O-N 3.18Å
92Q97Very high95.9Very high9 Ų960.9 Ų60.94%0.04231%0.311CS..Hα-helixtrans-68.2-41.4177.7-167.9163.527.800111.8D58 C63 I80 Q81 K88 Q89 M90 S94 Q95 F96D58-Q92 PolarHBondContact O-OE1 3.15Å; C63-Q92 WeakPolarHBondContact SG-CG 3.29Å; C63-Q92 PolarHBondContact SG-O 3.18Å; C63-Q92 VanDerWaalsContact SG-O 3.37Å; I80-Q92 VanDerWaalsContact CG2-NE2 3.34Å; Q81-Q92 PolarHBondContact O-OE1 2.85Å; K88-Q92 WeakPolarHBondContact O-CB 3.36Å; K88-Q92 PolarHBondContact O-N 3.44Å; Q89-Q92 PolarHBondContact O-N 3.21Å; M90-Q92 VanDerWaalsContact C-N 3.33Å; Q92-S94 VanDerWaalsContact C-N 3.32Å; Q92-S94 PolarHBondContact O-N 3.4Å; Q92-Q95 PolarHBondContact O-N 3.45Å; Q92-F96 PolarHBondContact O-N 3.46Å
93I97.9Very high96.1Very high0 Ų058.1 Ų58.10%029%0.285CS..Hα-helixtrans-58.9-45.6170.3-65.2163.7000110.1K57 L62 Q89 M90 Q95 F96 L97 F111 T113 L116 W117K57-I93 WeakPolarHBondContact O-CD1 3.25Å; L62-I93 HydrophobicContact CD1-CG1 4.5Å; Q89-I93 WeakPolarHBondContact O-CG1 3.36Å; Q89-I93 PolarHBondContact O-N 3.09Å; M90-I93 PolarHBondContact O-N 3.41Å; I93-Q95 VanDerWaalsContact C-N 3.31Å; I93-Q95 PolarHBondContact O-N 3.48Å; I93-F96 WeakPolarHBondContact O-CB 3.33Å; I93-F96 PolarHBondContact O-N 3.37Å; I93-F96 VanDerWaalsContact O-N 3.1Å; I93-L97 HydrophobicContact CG2-CD1 4.14Å; I93-L97 HydrophobicContact CG2-CG 4.28Å; I93-L97 WeakPolarHBondContact O-CG 3.49Å; I93-L97 PolarHBondContact O-N 3.39Å; I93-F111 HydrophobicContact CG2-CE2 3.8Å; I93-F111 HydrophobicContact CG2-CZ 4.21Å; I93-T113 HydrophobicContact CB-CG2 4.06Å; I93-T113 HydrophobicContact CD1-CG2 4.18Å; I93-T113 HydrophobicContact CG2-CG2 4.05Å; I93-L116 HydrophobicContact CD1-CD2 3.92Å; I93-L116 HydrophobicContact CD1-CG 4.25Å; I93-L116 HydrophobicContact CG1-CD2 4.07Å; I93-L116 HydrophobicContact CG2-CD2 4.35Å; I93-W117 HydrophobicContact CD1-CB 4.12Å
94S96.9Very high96.1Very high31 Ų3159.3 Ų59.322%0.21730%0.301CS..Hα-helixtrans-57-41.9178-175.90000112.6M90 E91 Q92 F96 L97 Q98M90-S94 WeakPolarHBondContact O-CB 3.35Å; M90-S94 PolarHBondContact O-N 3.03Å; E91-S94 WeakPolarHBondContact O-CB 3.41Å; E91-S94 PolarHBondContact O-N 3.15Å; Q92-S94 VanDerWaalsContact C-N 3.32Å; Q92-S94 PolarHBondContact O-N 3.4Å; S94-F96 VanDerWaalsContact C-N 3.34Å; S94-F96 PolarHBondContact O-N 2.97Å; S94-L97 PolarHBondContact O-N 3.16Å; S94-L97 VanDerWaalsContact O-N 3.16Å; S94-Q98 WeakPolarHBondContact O-CG 3.5Å; S94-Q98 PolarHBondContact O-N 2.92Å
95Q97.8Very high96.2Very high57 Ų5753 Ų5327%0.26626%0.262SS..Hα-helixtrans-61.5-40.5175.8-73.7172.161.600112.4V77 E91 Q92 I93 A99V77-Q95 HydrophobicContact CG1-CB 4.46Å; V77-Q95 HydrophobicContact CG2-CB 4.14Å; E91-Q95 WeakPolarHBondContact O-CG 3.38Å; E91-Q95 PolarHBondContact O-N 3.18Å; Q92-Q95 PolarHBondContact O-N 3.45Å; I93-Q95 VanDerWaalsContact C-N 3.31Å; I93-Q95 PolarHBondContact O-N 3.48Å; Q95-A99 WeakPolarHBondContact O-CB 3.45Å; Q95-A99 PolarHBondContact O-N 2.93Å; Q95-A99 VanDerWaalsContact O-N 3.1Å
96F98Very high96.1Very high0 Ų052.6 Ų52.60%026%0.262CS..Hα-helixtrans-61.5-46.8171.8162.1-95.8000111.6L62 I66 Q92 I93 S94 Q98 A99 A100 F111 L129 L132L62-F96 HydrophobicContact CB-CB 3.97Å; L62-F96 HydrophobicContact CB-CD1 4.17Å; L62-F96 HydrophobicContact CB-CD2 3.81Å; L62-F96 HydrophobicContact CB-CE2 4.36Å; L62-F96 HydrophobicContact CB-CG 3.69Å; L62-F96 HydrophobicContact CD1-CD1 4.04Å; L62-F96 HydrophobicContact CD1-CE1 4.45Å; L62-F96 HydrophobicContact CD1-CG 4.37Å; L62-F96 HydrophobicContact CD2-CD1 4.49Å; L62-F96 HydrophobicContact CD2-CE1 4.29Å; L62-F96 HydrophobicContact CD2-CE2 4.4Å; L62-F96 HydrophobicContact CD2-CZ 4.23Å; L62-F96 HydrophobicContact CG-CD1 4.49Å; L62-F96 HydrophobicContact CG-CG 4.48Å; L62-F96 WeakPolarHBondContact O-CD2 3.41Å; I66-F96 HydrophobicContact CB-CD2 3.87Å; I66-F96 HydrophobicContact CB-CE2 4.11Å; I66-F96 HydrophobicContact CG2-CD2 3.91Å; Q92-F96 PolarHBondContact O-N 3.46Å; I93-F96 WeakPolarHBondContact O-CB 3.33Å; I93-F96 PolarHBondContact O-N 3.37Å; I93-F96 VanDerWaalsContact O-N 3.1Å; S94-F96 VanDerWaalsContact C-N 3.34Å; S94-F96 PolarHBondContact O-N 2.97Å; F96-Q98 PolarHBondContact O-N 3.25Å; F96-A99 CarbonylContact O-C 3.25Å; F96-A99 WeakPolarHBondContact O-CB 3.47Å; F96-A99 PolarHBondContact O-N 2.9Å; F96-A99 VanDerWaalsContact O-N 3.12Å; F96-A100 HydrophobicContact CE1-CB 4.37Å; F96-A100 HydrophobicContact CE2-CB 4.4Å; F96-A100 HydrophobicContact CZ-CB 4.16Å; F96-A100 WeakPolarHBondContact O-CB 3.38Å; F96-A100 PolarHBondContact O-N 3.33Å; F96-F111 HydrophobicContact CD1-CE1 4.32Å; F96-F111 HydrophobicContact CD1-CZ 4.17Å; F96-F111 AromaticContact CE1-CE1 3.69Å; F96-F111 HydrophobicContact CE1-CE1 3.69Å; F96-F111 AromaticContact CE1-CZ 3.98Å; F96-F111 HydrophobicContact CE1-CZ 3.98Å; F96-L129 HydrophobicContact CZ-CD2 3.92Å; F96-L132 HydrophobicContact CE2-CD2 3.85Å; F96-L132 HydrophobicContact CZ-CD2 4.08Å
97L97.9Very high96Very high19 Ų1954.3 Ų54.310%0.09927%0.268CS..Hα-helixtrans-60.4-44.7-178.1-62.5175.3000111.7I93 S94 A99 A100 E101 I110 F111I93-L97 HydrophobicContact CG2-CD1 4.14Å; I93-L97 HydrophobicContact CG2-CG 4.28Å; I93-L97 WeakPolarHBondContact O-CG 3.49Å; I93-L97 PolarHBondContact O-N 3.39Å; S94-L97 PolarHBondContact O-N 3.16Å; S94-L97 VanDerWaalsContact O-N 3.16Å; L97-A99 VanDerWaalsContact C-N 3.31Å; L97-A99 PolarHBondContact O-N 3.31Å; L97-A100 PolarHBondContact O-N 2.91Å; L97-E101 PolarHBondContact O-N 3.44Å; L97-I110 HydrophobicContact CB-CG2 4.18Å; L97-I110 HydrophobicContact CD2-CG2 3.62Å; L97-I110 HydrophobicContact CG-CG2 4.36Å; L97-F111 HydrophobicContact CD1-CE2 4.46Å; L97-F111 WeakPolarHBondContact CD1-O 3.45Å; L97-F111 HydrophobicContact CD2-CD1 3.89Å; L97-F111 HydrophobicContact CD2-CD2 4.01Å; L97-F111 HydrophobicContact CD2-CE1 3.64Å; L97-F111 HydrophobicContact CD2-CE2 3.74Å; L97-F111 HydrophobicContact CD2-CG 4.08Å; L97-F111 HydrophobicContact CD2-CZ 3.55Å; L97-F111 WeakPolarHBondContact CD2-O 3.37Å; L97-F111 HydrophobicContact CG-CE2 4.48Å; L97-F111 HydrophobicContact CG-CZ 4.5Å
98Q97.2Very high95.8Very high87 Ų8752.9 Ų52.941%0.40727%0.271SS..Hα-helixtrans-62.1-39.3175.4-68.7177.213.900112.1S94 F96 R102S94-Q98 WeakPolarHBondContact O-CG 3.5Å; S94-Q98 PolarHBondContact O-N 2.92Å; F96-Q98 PolarHBondContact O-N 3.25Å; Q98-R102 VanDerWaalsContact O-CG 3.28Å; Q98-R102 WeakPolarHBondContact O-CG 3.47Å; Q98-R102 PolarHBondContact O-N 3.27Å; Q98-R102 VanDerWaalsContact O-N 3.16Å
99A97.3Very high95.5Very high4 Ų451.5 Ų51.53%0.03327%0.268CS..Hα-helixtrans-69.2-37.3176.900000112.1I66 P76 Q95 F96 L97 R102 Y103I66-A99 HydrophobicContact CG1-CB 3.78Å; I66-A99 HydrophobicContact CG2-CB 4.24Å; P76-A99 HydrophobicContact CB-CB 3.74Å; P76-A99 HydrophobicContact CG-CB 3.67Å; Q95-A99 WeakPolarHBondContact O-CB 3.45Å; Q95-A99 PolarHBondContact O-N 2.93Å; Q95-A99 VanDerWaalsContact O-N 3.1Å; F96-A99 CarbonylContact O-C 3.25Å; F96-A99 WeakPolarHBondContact O-CB 3.47Å; F96-A99 PolarHBondContact O-N 2.9Å; F96-A99 VanDerWaalsContact O-N 3.12Å; L97-A99 VanDerWaalsContact C-N 3.31Å; L97-A99 PolarHBondContact O-N 3.31Å; A99-R102 PolarHBondContact O-N 2.92Å; A99-Y103 WeakPolarHBondContact O-CB 3.35Å; A99-Y103 PolarHBondContact O-N 2.96Å
100A97.1Very high95.5Very high0 Ų050.9 Ų50.90%027%0.265CS..Hα-helixtrans-69-39.1178.200000112.2F96 L97 Y103 G104 I105F96-A100 HydrophobicContact CE1-CB 4.37Å; F96-A100 HydrophobicContact CE2-CB 4.4Å; F96-A100 HydrophobicContact CZ-CB 4.16Å; F96-A100 WeakPolarHBondContact O-CB 3.38Å; F96-A100 PolarHBondContact O-N 3.33Å; L97-A100 PolarHBondContact O-N 2.91Å; A100-Y103 WeakPolarHBondContact O-CB 3.29Å; A100-Y103 PolarHBondContact O-N 3.23Å; A100-G104 PolarHBondContact O-N 3.13Å; A100-I105 HydrophobicContact CB-CD1 3.8Å; A100-I105 HydrophobicContact CB-CG1 4.5Å; A100-I105 WeakPolarHBondContact O-CG1 3.48Å; A100-I105 PolarHBondContact O-N 3.47Å; A100-I105 VanDerWaalsContact O-N 3.13Å
101E96.6Very high95.5Very high97 Ų9748.1 Ų48.145%0.45325%0.251SS..Hα-helixtrans-58.9-51.2170.1-173.4-175.5-176.600111L97 Y103 G104 T107 I110L97-E101 PolarHBondContact O-N 3.44Å; E101-Y103 PolarHBondContact O-N 2.93Å; E101-G104 WeakPolarHBondContact O-CA 3.4Å; E101-G104 PolarHBondContact O-N 2.94Å; E101-T107 HydrophobicContact CG-CG2 3.8Å; E101-T107 WeakPolarHBondContact OE1-CG2 3.42Å; E101-I110 HydrophobicContact CB-CD1 3.55Å; E101-I110 HydrophobicContact CG-CD1 4.12Å
102R96.1Very high95.5Very high191 Ų19148.9 Ų48.972%0.72126%0.255SS*.Hα-helixtrans-62.3-29.9177.6-70.1173.8-171.5176.95.1113.3Q98 A99 G104Q98-R102 VanDerWaalsContact O-CG 3.28Å; Q98-R102 WeakPolarHBondContact O-CG 3.47Å; Q98-R102 PolarHBondContact O-N 3.27Å; Q98-R102 VanDerWaalsContact O-N 3.16Å; A99-R102 PolarHBondContact O-N 2.92Å; R102-G104 PolarHBondContact O-N 3.25Å
103Y95.1Very high95.5Very high11 Ų1149.9 Ų49.94%0.04326%0.262CS..Hα-helixtrans-69.1-21.8174.9-165.4-100.6000112.5I66 L69 Y70 A99 A100 E101 L132 L135 A136 R139I66-Y103 HydrophobicContact CD1-CD2 4.32Å; I66-Y103 HydrophobicContact CD1-CG 4.23Å; L69-Y103 HydrophobicContact CB-CE2 4.05Å; L69-Y103 HydrophobicContact CD1-CE1 4.41Å; Y70-Y103 HydrophobicContact CD2-CD2 4.5Å; Y70-Y103 AromaticContact CE2-CD2 3.6Å; Y70-Y103 HydrophobicContact CE2-CD2 3.6Å; Y70-Y103 HydrophobicContact CE2-CE2 4.11Å; Y70-Y103 AromaticContact CZ-CD2 3.74Å; A99-Y103 WeakPolarHBondContact O-CB 3.35Å; A99-Y103 PolarHBondContact O-N 2.96Å; A100-Y103 WeakPolarHBondContact O-CB 3.29Å; A100-Y103 PolarHBondContact O-N 3.23Å; E101-Y103 PolarHBondContact O-N 2.93Å; Y103-L132 HydrophobicContact CD1-CD1 3.43Å; Y103-L132 VanDerWaalsContact CD1-CD1 3.43Å; Y103-L132 HydrophobicContact CE1-CD1 3.85Å; Y103-L132 HydrophobicContact CG-CD1 4.07Å; Y103-L135 HydrophobicContact CD1-CB 4.31Å; Y103-L135 HydrophobicContact CE1-CB 4.04Å; Y103-A136 HydrophobicContact CE1-CB 4.32Å; Y103-A136 WeakPolarHBondContact OH-CA 3.35Å; Y103-A136 WeakPolarHBondContact OH-CB 3.2Å; Y103-R139 WeakPolarHBondContact OH-CD 3.34Å
104G93.8Very high95.4Very high47 Ų4752.5 Ų52.549%0.48528%0.278SS..THydrogen-bonded Turntrans122.112.1172.900000115.1A100 E101 R102 L135A100-G104 PolarHBondContact O-N 3.13Å; E101-G104 WeakPolarHBondContact O-CA 3.4Å; E101-G104 PolarHBondContact O-N 2.94Å; R102-G104 PolarHBondContact O-N 3.25Å; G104-L135 WeakPolarHBondContact O-CD1 3.39Å
105I94.6Very high95.3Very high7 Ų752.2 Ų52.24%0.03627%0.274CS..  trans-70.9134.2169.8-54.2-177.9000108.7A100 D109 I110 T128 N131 L132 L135A100-I105 HydrophobicContact CB-CD1 3.8Å; A100-I105 HydrophobicContact CB-CG1 4.5Å; A100-I105 WeakPolarHBondContact O-CG1 3.48Å; A100-I105 PolarHBondContact O-N 3.47Å; A100-I105 VanDerWaalsContact O-N 3.13Å; I105-D109 HydrophobicContact CG2-CB 4.28Å; I105-I110 HydrophobicContact CB-CD1 4.09Å; I105-I110 HydrophobicContact CB-CG1 3.95Å; I105-I110 HydrophobicContact CG2-CD1 4.2Å; I105-I110 HydrophobicContact CG2-CG1 3.52Å; I105-T128 HydrophobicContact CD1-CG2 3.83Å; I105-N131 HydrophobicContact CG2-CB 4.49Å; I105-L132 HydrophobicContact CD1-CB 3.79Å; I105-L132 HydrophobicContact CD1-CD1 4.11Å; I105-L132 HydrophobicContact CD1-CG 4.46Å; I105-L132 HydrophobicContact CG1-CD1 4.48Å; I105-L135 HydrophobicContact CB-CD1 4.46Å; I105-L135 HydrophobicContact CG1-CD1 3.74Å
106N91.9Very high95.3Very high89 Ų8949.5 Ų49.548%0.47626%0.261SS..  trans-65134.1173.8-171.3-6000110.4T108 D109 I110N106-T108 VanDerWaalsContact CG-OG1 3.29Å; N106-T108 PolarHBondContact ND2-OG1 3.44Å; N106-T108 PolarHBondContact O-N 2.81Å; N106-T108 VanDerWaalsContact O-N 3.1Å; N106-T108 PolarHBondContact OD1-N 3.12Å; N106-T108 PolarHBondContact OD1-OG1 3.16Å; N106-D109 WeakPolarHBondContact O-CA 3.41Å; N106-D109 PolarHBondContact O-N 3.42Å; N106-I110 WeakPolarHBondContact O-CG1 3.49Å; N106-I110 PolarHBondContact O-N 2.87Å
107T90.9Very high95.2Very high77 Ų7751.8 Ų51.847%0.47227%0.27SS..G310 helixtrans-56.4-29.4-178.351.80000113.4E101 D109 I110E101-T107 HydrophobicContact CG-CG2 3.8Å; E101-T107 WeakPolarHBondContact OE1-CG2 3.42Å; T107-D109 PolarHBondContact O-N 3.42Å; T107-I110 PolarHBondContact O-N 3.37Å
108T90.6Very high95.1Very high106 Ų10655.3 Ų55.365%0.6529%0.286SS*.G310 helixtrans-67.9-23.3175.760.70000113.5N106N106-T108 VanDerWaalsContact CG-OG1 3.29Å; N106-T108 PolarHBondContact ND2-OG1 3.44Å; N106-T108 PolarHBondContact O-N 2.81Å; N106-T108 VanDerWaalsContact O-N 3.1Å; N106-T108 PolarHBondContact OD1-N 3.12Å; N106-T108 PolarHBondContact OD1-OG1 3.16Å
109D90.1Very high94.9Very high58 Ų5851.5 Ų51.531%0.3127%0.269SS..G310 helixtrans-102.92.4-178-62-42.8000112.6I105 N106 T107 T128I105-D109 HydrophobicContact CG2-CB 4.28Å; N106-D109 WeakPolarHBondContact O-CA 3.41Å; N106-D109 PolarHBondContact O-N 3.42Å; T107-D109 PolarHBondContact O-N 3.42Å; D109-T128 PolarHBondContact O-OG1 2.97Å
110I95.9Very high94.6Very high18 Ų1854.9 Ų54.99%0.09228%0.283CS..SBendtrans-90.1125.7177.4-67.5178.6000109.3L97 E101 I105 N106 T107 T128L97-I110 HydrophobicContact CB-CG2 4.18Å; L97-I110 HydrophobicContact CD2-CG2 3.62Å; L97-I110 HydrophobicContact CG-CG2 4.36Å; E101-I110 HydrophobicContact CB-CD1 3.55Å; E101-I110 HydrophobicContact CG-CD1 4.12Å; I105-I110 HydrophobicContact CB-CD1 4.09Å; I105-I110 HydrophobicContact CB-CG1 3.95Å; I105-I110 HydrophobicContact CG2-CD1 4.2Å; I105-I110 HydrophobicContact CG2-CG1 3.52Å; N106-I110 WeakPolarHBondContact O-CG1 3.49Å; N106-I110 PolarHBondContact O-N 2.87Å; T107-I110 PolarHBondContact O-N 3.37Å; I110-T128 HydrophobicContact CG1-CG2 4.48Å
111F97.3Very high94.5Very high0 Ų056.2 Ų56.20%029%0.291CS..PPolyproline II helixtrans-66.3158.2174.973.7-95.6000112.5L62 I93 F96 L97 D115 L116 C124 V125 T128L62-F111 HydrophobicContact CD1-CZ 4.06Å; I93-F111 HydrophobicContact CG2-CE2 3.8Å; I93-F111 HydrophobicContact CG2-CZ 4.21Å; F96-F111 HydrophobicContact CD1-CE1 4.32Å; F96-F111 HydrophobicContact CD1-CZ 4.17Å; F96-F111 AromaticContact CE1-CE1 3.69Å; F96-F111 HydrophobicContact CE1-CE1 3.69Å; F96-F111 AromaticContact CE1-CZ 3.98Å; F96-F111 HydrophobicContact CE1-CZ 3.98Å; L97-F111 HydrophobicContact CD1-CE2 4.46Å; L97-F111 WeakPolarHBondContact CD1-O 3.45Å; L97-F111 HydrophobicContact CD2-CD1 3.89Å; L97-F111 HydrophobicContact CD2-CD2 4.01Å; L97-F111 HydrophobicContact CD2-CE1 3.64Å; L97-F111 HydrophobicContact CD2-CE2 3.74Å; L97-F111 HydrophobicContact CD2-CG 4.08Å; L97-F111 HydrophobicContact CD2-CZ 3.55Å; L97-F111 WeakPolarHBondContact CD2-O 3.37Å; L97-F111 HydrophobicContact CG-CE2 4.48Å; L97-F111 HydrophobicContact CG-CZ 4.5Å; F111-D115 HydrophobicContact CB-CB 4.29Å; F111-D115 HydrophobicContact CD2-CB 4.46Å; F111-L116 HydrophobicContact CD2-CB 4.18Å; F111-L116 HydrophobicContact CE2-CB 3.69Å; F111-L116 HydrophobicContact CE2-CD2 3.96Å; F111-L116 HydrophobicContact CZ-CB 4.44Å; F111-L116 HydrophobicContact CZ-CD2 4Å; F111-C124 HydrophobicContact CB-CB 4.1Å; F111-V125 HydrophobicContact CB-CG2 4.16Å; F111-V125 HydrophobicContact CD1-CB 4.29Å; F111-V125 HydrophobicContact CD1-CG1 4.26Å; F111-V125 HydrophobicContact CD1-CG2 4.18Å; F111-V125 HydrophobicContact CD2-CG2 3.89Å; F111-V125 HydrophobicContact CE1-CG1 4.04Å; F111-V125 HydrophobicContact CE2-CG2 4.3Å; F111-V125 HydrophobicContact CG-CB 4.42Å; F111-V125 HydrophobicContact CG-CG2 3.84Å; F111-V125 HydrophobicContact CZ-CG1 4.33Å; F111-T128 HydrophobicContact CD1-CG2 3.85Å; F111-T128 HydrophobicContact CE1-CG2 4.25Å; F111-T128 PolarHBondContact N-OG1 3.42Å; F111-T128 VanDerWaalsContact N-OG1 3.1Å
112Q96.4Very high94.5Very high119 Ų11951.7 Ų51.756%0.55627%0.27SS*.PPolyproline II helixtrans-93149.9175.6-59.3-63.1-62.600110.7V114 D115Q112-V114 HydrophobicContact CB-CG2 4.22Å; Q112-V114 PolarHBondContact O-N 3.47Å; Q112-D115 WeakPolarHBondContact CB-OD2 3.48Å; Q112-D115 PolarHBondContact N-OD2 3.23Å; Q112-D115 WeakPolarHBondContact O-CA 3.18Å; Q112-D115 WeakPolarHBondContact O-CB 3.17Å; Q112-D115 PolarHBondContact O-N 2.69Å
113T96.7Very high94.4Very high29 Ų2942.9 Ų42.918%0.17824%0.238CC..Hα-helixtrans-49.3-37.3-178.6-56.40000114.2M90 I93 D115 L116 W117M90-T113 HydrophobicContact CB-CG2 3.73Å; M90-T113 HydrophobicContact CG-CG2 3.83Å; I93-T113 HydrophobicContact CB-CG2 4.06Å; I93-T113 HydrophobicContact CD1-CG2 4.18Å; I93-T113 HydrophobicContact CG2-CG2 4.05Å; T113-D115 VanDerWaalsContact C-N 3.33Å; T113-D115 PolarHBondContact O-N 3.09Å; T113-L116 PolarHBondContact O-N 2.92Å; T113-W117 VanDerWaalsContact O-CB 3.25Å; T113-W117 WeakPolarHBondContact O-CB 3.42Å; T113-W117 PolarHBondContact O-N 3.45Å
114V94.8Very high94.4Very high55 Ų5543.1 Ų43.133%0.33324%0.241SC..Hα-helixtrans-70.3-25.6178-63.90000113.8Q112 L116 E118 G119 K120Q112-V114 HydrophobicContact CB-CG2 4.22Å; Q112-V114 PolarHBondContact O-N 3.47Å; V114-L116 VanDerWaalsContact C-N 3.25Å; V114-L116 PolarHBondContact O-N 3.49Å; V114-E118 WeakPolarHBondContact O-CB 3.4Å; V114-E118 PolarHBondContact O-N 3.45Å; V114-G119 PolarHBondContact O-N 3.08Å; V114-K120 HydrophobicContact CB-CD 4.49Å; V114-K120 HydrophobicContact CG2-CD 4.42Å
115D96Very high94.6Very high25 Ų2540.9 Ų40.913%0.13422%0.218CC..Hα-helixtrans-63-37.3178.1-65.6-30.1000111.1F111 Q112 T113 G119 K120 N121 V125F111-D115 HydrophobicContact CB-CB 4.29Å; F111-D115 HydrophobicContact CD2-CB 4.46Å; Q112-D115 WeakPolarHBondContact CB-OD2 3.48Å; Q112-D115 PolarHBondContact N-OD2 3.23Å; Q112-D115 WeakPolarHBondContact O-CA 3.18Å; Q112-D115 WeakPolarHBondContact O-CB 3.17Å; Q112-D115 PolarHBondContact O-N 2.69Å; T113-D115 VanDerWaalsContact C-N 3.33Å; T113-D115 PolarHBondContact O-N 3.09Å; D115-G119 CarbonylContact O-C 3.56Å; D115-G119 VanDerWaalsContact O-C 3.25Å; D115-G119 WeakPolarHBondContact O-CA 3.22Å; D115-G119 PolarHBondContact O-N 3.1Å; D115-K120 PolarHBondContact O-N 3.37Å; D115-K120 VanDerWaalsContact O-N 3.12Å; D115-N121 HydrophobicContact CB-CB 3.98Å; D115-N121 PolarHBondContact O-N 2.99Å; D115-V125 HydrophobicContact CB-CG2 4.44Å
116L97.2Very high94.7Very high0 Ų040.8 Ų40.80%022%0.217CC..Hα-helixtrans-88.4-52.4174.8174.558.4000112.2Q53 L56 L62 I93 F111 T113 V114 E118 G119 M122 V125Q53-L116 HydrophobicContact CG-CD1 4.22Å; Q53-L116 WeakPolarHBondContact CG-O 3.33Å; Q53-L116 PolarHBondContact NE2-O 2.98Å; L56-L116 HydrophobicContact CB-CD1 3.81Å; L56-L116 HydrophobicContact CB-CD2 4.08Å; L62-L116 HydrophobicContact CD1-CD2 3.44Å; L62-L116 VanDerWaalsContact CD1-CD2 3.44Å; I93-L116 HydrophobicContact CD1-CD2 3.92Å; I93-L116 HydrophobicContact CD1-CG 4.25Å; I93-L116 HydrophobicContact CG1-CD2 4.07Å; I93-L116 HydrophobicContact CG2-CD2 4.35Å; F111-L116 HydrophobicContact CD2-CB 4.18Å; F111-L116 HydrophobicContact CE2-CB 3.69Å; F111-L116 HydrophobicContact CE2-CD2 3.96Å; F111-L116 HydrophobicContact CZ-CB 4.44Å; F111-L116 HydrophobicContact CZ-CD2 4Å; T113-L116 PolarHBondContact O-N 2.92Å; V114-L116 VanDerWaalsContact C-N 3.25Å; V114-L116 PolarHBondContact O-N 3.49Å; L116-E118 PolarHBondContact O-N 3.16Å; L116-G119 PolarHBondContact O-N 3.06Å; L116-M122 HydrophobicContact CD1-CE 4.07Å; L116-M122 HydrophobicContact CD1-SD 4.06Å; L116-V125 HydrophobicContact CB-CG2 3.9Å; L116-V125 HydrophobicContact CD1-CG1 4.4Å
117W96.6Very high94.8Very high49 Ų4941.6 Ų41.619%0.18621%0.213CC..Hα-helixtrans-67.2-40.3-169.8-168.485.8000112.6K57 A86 M90 I93 T113K57-W117 WeakPolarHBondContact CE-O 3.36Å; K57-W117 HydrophobicContact CG-CG 4.41Å; K57-W117 PolarHBondContact NZ-O 2.66Å; A86-W117 HydrophobicContact CB-CH2 3.98Å; A86-W117 HydrophobicContact CB-CZ2 3.4Å; A86-W117 VanDerWaalsContact CB-CZ2 3.4Å; M90-W117 HydrophobicContact CE-CD2 3.37Å; M90-W117 HydrophobicContact CE-CE3 3.1Å; M90-W117 HydrophobicContact CE-CG 4.06Å; M90-W117 HydrophobicContact CE-CH2 3.89Å; M90-W117 HydrophobicContact CE-CZ2 4.12Å; M90-W117 HydrophobicContact CE-CZ3 3.38Å; M90-W117 HydrophobicContact CG-CD2 4.22Å; M90-W117 HydrophobicContact CG-CG 4.06Å; I93-W117 HydrophobicContact CD1-CB 4.12Å; T113-W117 VanDerWaalsContact O-CB 3.25Å; T113-W117 WeakPolarHBondContact O-CB 3.42Å; T113-W117 PolarHBondContact O-N 3.45Å
118E94.4Very high95.1Very high93 Ų9337.9 Ų37.944%0.43519%0.191SC..SBendtrans-94.7-7.5172.6-56.2-171.8158.500112.7V114 L116 K120V114-E118 WeakPolarHBondContact O-CB 3.4Å; V114-E118 PolarHBondContact O-N 3.45Å; L116-E118 PolarHBondContact O-N 3.16Å; E118-K120 VanDerWaalsContact C-N 3.3Å; E118-K120 HydrophobicContact CB-CG 4.21Å; E118-K120 PolarHBondContact O-N 3.22Å; E118-K120 WeakPolarHBondContact OE2-CE 3.29Å; E118-K120 IonicContact OE2-NZ 3.97Å; E118-K120 PolarHBondContact OE2-NZ 3.44Å
119G93.3Very high95.5Very high6 Ų632.9 Ų32.96%0.06216%0.16CC..  trans73.919.2177.200000114.5R49 Q53 V114 D115 L116 N121R49-G119 PolarHBondContact NH2-O 2.86Å; R49-G119 VanDerWaalsContact NH2-O 3.15Å; Q53-G119 VanDerWaalsContact CD-CA 3.47Å; V114-G119 PolarHBondContact O-N 3.08Å; D115-G119 CarbonylContact O-C 3.56Å; D115-G119 VanDerWaalsContact O-C 3.25Å; D115-G119 WeakPolarHBondContact O-CA 3.22Å; D115-G119 PolarHBondContact O-N 3.1Å; L116-G119 PolarHBondContact O-N 3.06Å; G119-N121 VanDerWaalsContact C-N 3.3Å; G119-N121 PolarHBondContact O-N 3.24Å
120K91.6Very high95.7Very high75 Ų7531.1 Ų31.133%0.32615%0.15SC..THydrogen-bonded Turntrans-61.9-35.6-175.9-74.4-179.7175.8153.80113.1Q15 V114 D115 E118Q15-K120 PolarHBondContact NE2-O 3.47Å; V114-K120 HydrophobicContact CB-CD 4.49Å; V114-K120 HydrophobicContact CG2-CD 4.42Å; D115-K120 PolarHBondContact O-N 3.37Å; D115-K120 VanDerWaalsContact O-N 3.12Å; E118-K120 VanDerWaalsContact C-N 3.3Å; E118-K120 HydrophobicContact CB-CG 4.21Å; E118-K120 PolarHBondContact O-N 3.22Å; E118-K120 WeakPolarHBondContact OE2-CE 3.29Å; E118-K120 IonicContact OE2-NZ 3.97Å; E118-K120 PolarHBondContact OE2-NZ 3.44Å
121N94.3Very high95.7Very high29 Ų2932.4 Ų32.416%0.15516%0.157CC..THydrogen-bonded Turntrans-148.371.7-175.6-168.3-10.9000111.7I18 D115 G119 A123 C124 V125I18-N121 HydrophobicContact CG2-CB 4.08Å; I18-N121 VanDerWaalsContact CG2-CG 3.47Å; I18-N121 WeakPolarHBondContact CG2-OD1 2.9Å; D115-N121 HydrophobicContact CB-CB 3.98Å; D115-N121 PolarHBondContact O-N 2.99Å; G119-N121 VanDerWaalsContact C-N 3.3Å; G119-N121 PolarHBondContact O-N 3.24Å; N121-A123 PolarHBondContact O-N 3.42Å; N121-C124 HydrophobicContact CB-CB 4.19Å; N121-C124 VanDerWaalsContact CG-CB 3.5Å; N121-C124 WeakPolarHBondContact O-CB 3.33Å; N121-C124 PolarHBondContact O-N 3.02Å; N121-C124 VanDerWaalsContact O-N 3.15Å; N121-C124 WeakPolarHBondContact OD1-CB 3.48Å; N121-C124 PolarHBondContact OD1-N 3.15Å; N121-V125 PolarHBondContact O-N 3.1Å
122M95.9Very high95.6Very high2 Ų232.4 Ų32.41%0.0116%0.157CC..Hα-helixtrans-65-25.2178.1-69.9-56.4-61.800113.4Y22 R49 F52 Q53 L116 C124 V125 Q126Y22-M122 HydrophobicContact CD2-CB 3.74Å; Y22-M122 HydrophobicContact CE2-CB 3.76Å; R49-M122 HydrophobicContact CG-CB 4.3Å; R49-M122 HydrophobicContact CG-CG 4.17Å; F52-M122 HydrophobicContact CD1-CE 3.81Å; F52-M122 HydrophobicContact CE1-CE 4.27Å; Q53-M122 HydrophobicContact CB-CE 3.74Å; Q53-M122 HydrophobicContact CB-SD 3.85Å; Q53-M122 HydrophobicContact CG-CE 4.18Å; Q53-M122 HydrophobicContact CG-SD 3.71Å; L116-M122 HydrophobicContact CD1-CE 4.07Å; L116-M122 HydrophobicContact CD1-SD 4.06Å; M122-C124 VanDerWaalsContact C-N 3.31Å; M122-C124 PolarHBondContact O-N 2.86Å; M122-V125 HydrophobicContact CE-CB 4.4Å; M122-V125 HydrophobicContact CE-CG1 4.48Å; M122-V125 WeakPolarHBondContact O-CB 3.31Å; M122-V125 PolarHBondContact O-N 3.31Å; M122-V125 HydrophobicContact SD-CG2 4.18Å; M122-Q126 PolarHBondContact O-N 3.37Å
123A94.9Very high95.6Very high6 Ų626.8 Ų26.85%0.0513%0.131CC..Hα-helixtrans-64.8-36.5173.800000111.8Q21 N121 Q126 R127Q21-A123 HydrophobicContact CB-CB 3.73Å; N121-A123 PolarHBondContact O-N 3.42Å; A123-Q126 PolarHBondContact O-N 3.49Å; A123-R127 WeakPolarHBondContact O-CB 3.49Å; A123-R127 PolarHBondContact O-N 3.12Å
124C95.6Very high95.5Very high16 Ų1625.6 Ų25.611%0.10812%0.124CC..Hα-helixtrans-63.4-43.8172.4-163.20000111.5F111 N121 M122 Q126 R127 T128F111-C124 HydrophobicContact CB-CB 4.1Å; N121-C124 HydrophobicContact CB-CB 4.19Å; N121-C124 VanDerWaalsContact CG-CB 3.5Å; N121-C124 WeakPolarHBondContact O-CB 3.33Å; N121-C124 PolarHBondContact O-N 3.02Å; N121-C124 VanDerWaalsContact O-N 3.15Å; N121-C124 WeakPolarHBondContact OD1-CB 3.48Å; N121-C124 PolarHBondContact OD1-N 3.15Å; M122-C124 VanDerWaalsContact C-N 3.31Å; M122-C124 PolarHBondContact O-N 2.86Å; C124-Q126 PolarHBondContact O-N 3.3Å; C124-R127 PolarHBondContact O-N 3.37Å; C124-T128 PolarHBondContact O-N 3.5Å; C124-T128 PolarHBondContact O-OG1 2.98Å; C124-T128 VanDerWaalsContact O-OG1 3.09Å
125V97.1Very high95.4Very high0 Ų024.3 Ų24.30%012%0.116CC..Hα-helixtrans-58.1-47.4176.2-176.70000111.2L56 F111 D115 L116 N121 M122 R127 T128 L129L56-V125 HydrophobicContact CD1-CG1 4.37Å; F111-V125 HydrophobicContact CB-CG2 4.16Å; F111-V125 HydrophobicContact CD1-CB 4.29Å; F111-V125 HydrophobicContact CD1-CG1 4.26Å; F111-V125 HydrophobicContact CD1-CG2 4.18Å; F111-V125 HydrophobicContact CD2-CG2 3.89Å; F111-V125 HydrophobicContact CE1-CG1 4.04Å; F111-V125 HydrophobicContact CE2-CG2 4.3Å; F111-V125 HydrophobicContact CG-CB 4.42Å; F111-V125 HydrophobicContact CG-CG2 3.84Å; F111-V125 HydrophobicContact CZ-CG1 4.33Å; D115-V125 HydrophobicContact CB-CG2 4.44Å; L116-V125 HydrophobicContact CB-CG2 3.9Å; L116-V125 HydrophobicContact CD1-CG1 4.4Å; N121-V125 PolarHBondContact O-N 3.1Å; M122-V125 HydrophobicContact CE-CB 4.4Å; M122-V125 HydrophobicContact CE-CG1 4.48Å; M122-V125 WeakPolarHBondContact O-CB 3.31Å; M122-V125 PolarHBondContact O-N 3.31Å; M122-V125 HydrophobicContact SD-CG2 4.18Å; V125-R127 PolarHBondContact O-N 2.79Å; V125-T128 PolarHBondContact O-N 3.05Å; V125-L129 HydrophobicContact CG1-CD1 4.09Å; V125-L129 WeakPolarHBondContact O-CG 3.46Å; V125-L129 PolarHBondContact O-N 3.43Å; V125-L129 VanDerWaalsContact O-N 3.08Å
126Q96.3Very high95.3Very high4 Ų423.2 Ų23.22%0.01911%0.11CC..Hα-helixtrans-57.6-48.2176.3-71.5-175.5-59.300111.6Y22 D23 L30 F52 M122 A123 C124 T128 L129 M130Y22-Q126 HydrophobicContact CD2-CG 4.36Å; Y22-Q126 HydrophobicContact CE2-CG 3.88Å; Y22-Q126 VanDerWaalsContact CE2-OE1 3.28Å; D23-Q126 PolarHBondContact O-NE2 2.96Å; L30-Q126 HydrophobicContact CD1-CB 3.93Å; L30-Q126 HydrophobicContact CD1-CG 3.96Å; F52-Q126 HydrophobicContact CE1-CG 4.42Å; M122-Q126 PolarHBondContact O-N 3.37Å; A123-Q126 PolarHBondContact O-N 3.49Å; C124-Q126 PolarHBondContact O-N 3.3Å; Q126-T128 PolarHBondContact O-N 3.41Å; Q126-L129 PolarHBondContact O-N 3.48Å; Q126-M130 VanDerWaalsContact O-CG 3.29Å; Q126-M130 WeakPolarHBondContact O-CG 3.28Å; Q126-M130 PolarHBondContact O-N 2.88Å
127R95.4Very high95.1Very high106 Ų10625 Ų2540%0.412%0.121SC..Hα-helixtrans-61.3-43.8179.8173.1166.939.3-149.5-17.2112.5A123 C124 V125 L129 M130 N131A123-R127 WeakPolarHBondContact O-CB 3.49Å; A123-R127 PolarHBondContact O-N 3.12Å; C124-R127 PolarHBondContact O-N 3.37Å; V125-R127 PolarHBondContact O-N 2.79Å; R127-L129 VanDerWaalsContact C-N 3.33Å; R127-L129 PolarHBondContact O-N 2.86Å; R127-M130 PolarHBondContact O-N 2.61Å; R127-N131 WeakPolarHBondContact O-CB 3.4Å; R127-N131 VanDerWaalsContact O-CG 3.28Å; R127-N131 PolarHBondContact O-N 3.46Å; R127-N131 PolarHBondContact O-ND2 3.48Å
128T97.2Very high94.9Very high0 Ų024.4 Ų24.40%013%0.126CC..Hα-helixtrans-60.6-43.3176.1-54.60000111.2I105 D109 I110 F111 C124 V125 Q126 N131 L132I105-T128 HydrophobicContact CD1-CG2 3.83Å; D109-T128 PolarHBondContact O-OG1 2.97Å; I110-T128 HydrophobicContact CG1-CG2 4.48Å; F111-T128 HydrophobicContact CD1-CG2 3.85Å; F111-T128 HydrophobicContact CE1-CG2 4.25Å; F111-T128 PolarHBondContact N-OG1 3.42Å; F111-T128 VanDerWaalsContact N-OG1 3.1Å; C124-T128 PolarHBondContact O-N 3.5Å; C124-T128 PolarHBondContact O-OG1 2.98Å; C124-T128 VanDerWaalsContact O-OG1 3.09Å; V125-T128 PolarHBondContact O-N 3.05Å; Q126-T128 PolarHBondContact O-N 3.41Å; T128-N131 PolarHBondContact O-N 3.27Å; T128-L132 PolarHBondContact O-N 3.4Å
129L97.4Very high94.6Very high0 Ų026.6 Ų26.60%013%0.13CC..Hα-helixtrans-68.1-39.7178.8-66.6171.7000112.5L30 W33 I34 F52 L56 L62 L65 F96 V125 Q126 R127 N131 L132 G133L30-L129 HydrophobicContact CD1-CB 4.17Å; L30-L129 HydrophobicContact CD1-CD1 4.38Å; L30-L129 HydrophobicContact CD2-CB 3.63Å; W33-L129 WeakPolarHBondContact CZ3-O 3.35Å; I34-L129 HydrophobicContact CD1-CD1 4.24Å; F52-L129 HydrophobicContact CZ-CD1 4.08Å; L56-L129 HydrophobicContact CD1-CD1 3.94Å; L62-L129 HydrophobicContact CD2-CD2 3.81Å; L65-L129 HydrophobicContact CD2-CD2 3.8Å; F96-L129 HydrophobicContact CZ-CD2 3.92Å; V125-L129 HydrophobicContact CG1-CD1 4.09Å; V125-L129 WeakPolarHBondContact O-CG 3.46Å; V125-L129 PolarHBondContact O-N 3.43Å; V125-L129 VanDerWaalsContact O-N 3.08Å; Q126-L129 PolarHBondContact O-N 3.48Å; R127-L129 VanDerWaalsContact C-N 3.33Å; R127-L129 PolarHBondContact O-N 2.86Å; L129-N131 VanDerWaalsContact C-N 3.32Å; L129-N131 PolarHBondContact O-N 3.1Å; L129-L132 WeakPolarHBondContact O-CB 3.03Å; L129-L132 PolarHBondContact O-N 3.29Å; L129-G133 PolarHBondContact O-N 2.95Å
130M96.1Very high94.2Very high21 Ų2132.7 Ų32.710%0.10316%0.162CC..Hα-helixtrans-61.6-41.1173-71.2-60.9-6600111.7L26 L30 Q126 R127 L132 G133 G134 W150 F151L26-M130 HydrophobicContact CD2-CE 3.85Å; L26-M130 HydrophobicContact CD2-SD 4.2Å; L30-M130 HydrophobicContact CD1-CG 4.35Å; L30-M130 HydrophobicContact CD1-SD 4.47Å; L30-M130 HydrophobicContact CD2-CG 4.13Å; L30-M130 HydrophobicContact CD2-SD 3.66Å; L30-M130 HydrophobicContact CG-CG 4.41Å; L30-M130 HydrophobicContact CG-SD 3.93Å; Q126-M130 VanDerWaalsContact O-CG 3.29Å; Q126-M130 WeakPolarHBondContact O-CG 3.28Å; Q126-M130 PolarHBondContact O-N 2.88Å; R127-M130 PolarHBondContact O-N 2.61Å; M130-L132 VanDerWaalsContact C-N 3.34Å; M130-G133 PolarHBondContact O-N 2.9Å; M130-G134 PolarHBondContact O-N 3.38Å; M130-W150 WeakPolarHBondContact CE-O 3.28Å; M130-F151 HydrophobicContact CE-CD1 3.96Å; M130-F151 HydrophobicContact CE-CE1 4.26Å; M130-F151 WeakPolarHBondContact O-CD1 3.4Å; M130-F151 HydrophobicContact SD-CD1 4.16Å; M130-F151 HydrophobicContact SD-CE1 3.88Å
131N95.1Very high94.1Very high46 Ų4632.1 Ų32.125%0.24616%0.162CC..Hα-helixtrans-64.8-38.8175.3-76.2-18.1000111.9I105 R127 T128 L129 L135I105-N131 HydrophobicContact CG2-CB 4.49Å; R127-N131 WeakPolarHBondContact O-CB 3.4Å; R127-N131 VanDerWaalsContact O-CG 3.28Å; R127-N131 PolarHBondContact O-N 3.46Å; R127-N131 PolarHBondContact O-ND2 3.48Å; T128-N131 PolarHBondContact O-N 3.27Å; L129-N131 VanDerWaalsContact C-N 3.32Å; L129-N131 PolarHBondContact O-N 3.1Å; N131-L135 WeakPolarHBondContact O-CB 3.49Å; N131-L135 VanDerWaalsContact O-CG 3.31Å; N131-L135 WeakPolarHBondContact O-CG 3.49Å; N131-L135 PolarHBondContact O-N 3.4Å
132L96.1Very high93.9Very high0 Ų034.1 Ų34.10%019%0.189CC..Hα-helixtrans-62-49.9175.2-175.159.4000111.2W33 L65 I66 L69 F96 Y103 I105 T128 L129 M130 L135 A136W33-L132 HydrophobicContact CH2-CB 4.29Å; W33-L132 HydrophobicContact CH2-CD2 4.28Å; W33-L132 HydrophobicContact CH2-CG 4.14Å; L65-L132 HydrophobicContact CD2-CD2 4.17Å; I66-L132 HydrophobicContact CD1-CD1 3.83Å; I66-L132 HydrophobicContact CD1-CD2 4.16Å; L69-L132 HydrophobicContact CD1-CD1 3.92Å; L69-L132 HydrophobicContact CD1-CD2 4.06Å; L69-L132 HydrophobicContact CD1-CG 3.83Å; F96-L132 HydrophobicContact CE2-CD2 3.85Å; F96-L132 HydrophobicContact CZ-CD2 4.08Å; Y103-L132 HydrophobicContact CD1-CD1 3.43Å; Y103-L132 VanDerWaalsContact CD1-CD1 3.43Å; Y103-L132 HydrophobicContact CE1-CD1 3.85Å; Y103-L132 HydrophobicContact CG-CD1 4.07Å; I105-L132 HydrophobicContact CD1-CB 3.79Å; I105-L132 HydrophobicContact CD1-CD1 4.11Å; I105-L132 HydrophobicContact CD1-CG 4.46Å; I105-L132 HydrophobicContact CG1-CD1 4.48Å; T128-L132 PolarHBondContact O-N 3.4Å; L129-L132 WeakPolarHBondContact O-CB 3.03Å; L129-L132 PolarHBondContact O-N 3.29Å; M130-L132 VanDerWaalsContact C-N 3.34Å; L132-L135 WeakPolarHBondContact O-CB 3.49Å; L132-L135 PolarHBondContact O-N 2.86Å; L132-A136 PolarHBondContact O-N 3.44Å
133G95.3Very high93.8Very high0 Ų036 Ų360%020%0.2CC..Hα-helixtrans-62.8-43178.200000112.5W33 L129 M130 L135 A136 V137W33-G133 VanDerWaalsContact CH2-CA 3.48Å; L129-G133 PolarHBondContact O-N 2.95Å; M130-G133 PolarHBondContact O-N 2.9Å; G133-L135 VanDerWaalsContact C-N 3.31Å; G133-L135 PolarHBondContact O-N 3.1Å; G133-A136 WeakPolarHBondContact O-CB 3.47Å; G133-A136 PolarHBondContact O-N 3.43Å; G133-A136 VanDerWaalsContact O-N 3.16Å; G133-V137 WeakPolarHBondContact O-CG2 3.3Å; G133-V137 PolarHBondContact O-N 3.31Å
134G94.5Very high93.7Very high4 Ų437.5 Ų37.54%0.04121%0.205CC..Hα-helixtrans-63.6-33.4175.200000113.8M130 A138M130-G134 PolarHBondContact O-N 3.38Å; G134-A138 WeakPolarHBondContact O-CB 3.48Å; G134-A138 PolarHBondContact O-N 3.18Å; G134-A138 VanDerWaalsContact O-N 3.15Å
135L93.3Very high93.6Very high29 Ų2939.1 Ų39.115%0.15222%0.216CC..Hα-helixtrans-68.5-44.4170.9-77.7169.8000111.6Y103 G104 I105 N131 L132 G133 V137 A138 R139Y103-L135 HydrophobicContact CD1-CB 4.31Å; Y103-L135 HydrophobicContact CE1-CB 4.04Å; G104-L135 WeakPolarHBondContact O-CD1 3.39Å; I105-L135 HydrophobicContact CB-CD1 4.46Å; I105-L135 HydrophobicContact CG1-CD1 3.74Å; N131-L135 WeakPolarHBondContact O-CB 3.49Å; N131-L135 VanDerWaalsContact O-CG 3.31Å; N131-L135 WeakPolarHBondContact O-CG 3.49Å; N131-L135 PolarHBondContact O-N 3.4Å; L132-L135 WeakPolarHBondContact O-CB 3.49Å; L132-L135 PolarHBondContact O-N 2.86Å; G133-L135 VanDerWaalsContact C-N 3.31Å; G133-L135 PolarHBondContact O-N 3.1Å; L135-V137 VanDerWaalsContact C-N 3.35Å; L135-V137 PolarHBondContact O-N 3Å; L135-A138 PolarHBondContact O-N 3Å; L135-A138 VanDerWaalsContact O-N 3.09Å; L135-R139 WeakPolarHBondContact O-CG 3.4Å; L135-R139 PolarHBondContact O-N 3.18Å
136A93.8Very high93.4Very high1 Ų140.8 Ų40.81%0.00823%0.234CC..Hα-helixtrans-59.6-44.9178.600000111.8L69 Y103 L132 G133 A138 R139 F144L69-A136 HydrophobicContact CD1-CB 4.28Å; L69-A136 HydrophobicContact CD2-CB 3.68Å; Y103-A136 HydrophobicContact CE1-CB 4.32Å; Y103-A136 WeakPolarHBondContact OH-CA 3.35Å; Y103-A136 WeakPolarHBondContact OH-CB 3.2Å; L132-A136 PolarHBondContact O-N 3.44Å; G133-A136 WeakPolarHBondContact O-CB 3.47Å; G133-A136 PolarHBondContact O-N 3.43Å; G133-A136 VanDerWaalsContact O-N 3.16Å; A136-A138 VanDerWaalsContact C-N 3.31Å; A136-A138 PolarHBondContact O-N 3.38Å; A136-R139 PolarHBondContact O-N 2.98Å; A136-F144 HydrophobicContact CB-CB 4.4Å; A136-F144 HydrophobicContact CB-CD2 3.76Å
137V93.7Very high93.3Very high39 Ų3943.6 Ų43.624%0.23625%0.249CC..Hα-helixtrans-60.2-40.5173172.80000111.8G133 L135 R139 F144 P148 F151G133-V137 WeakPolarHBondContact O-CG2 3.3Å; G133-V137 PolarHBondContact O-N 3.31Å; L135-V137 VanDerWaalsContact C-N 3.35Å; L135-V137 PolarHBondContact O-N 3Å; V137-R139 PolarHBondContact O-N 3.35Å; V137-F144 HydrophobicContact CG2-CD1 4.05Å; V137-F144 HydrophobicContact CG2-CD2 3.81Å; V137-F144 HydrophobicContact CG2-CE1 3.77Å; V137-F144 HydrophobicContact CG2-CE2 3.48Å; V137-F144 VanDerWaalsContact CG2-CE2 3.48Å; V137-F144 HydrophobicContact CG2-CG 4.07Å; V137-F144 HydrophobicContact CG2-CZ 3.47Å; V137-F144 VanDerWaalsContact CG2-CZ 3.47Å; V137-P148 HydrophobicContact CG1-CB 3.91Å; V137-P148 HydrophobicContact CG2-CB 4.27Å; V137-F151 HydrophobicContact CG2-CB 4.35Å; V137-F151 HydrophobicContact CG2-CD2 3.87Å; V137-F151 HydrophobicContact CG2-CG 4.43Å
138A90.9Very high93.1Very high36 Ų3641.7 Ų41.730%0.29825%0.25SS..Hα-helixtrans-71.3-27.9-176.600000113.9G134 L135 A136 D140G134-A138 WeakPolarHBondContact O-CB 3.48Å; G134-A138 PolarHBondContact O-N 3.18Å; G134-A138 VanDerWaalsContact O-N 3.15Å; L135-A138 PolarHBondContact O-N 3Å; L135-A138 VanDerWaalsContact O-N 3.09Å; A136-A138 VanDerWaalsContact C-N 3.31Å; A136-A138 PolarHBondContact O-N 3.38Å; A138-D140 VanDerWaalsContact C-N 3.34Å
139R89.4Confident92.8Very high139 Ų13948.4 Ų48.453%0.52529%0.286SS..Hα-helixtrans-70.2-28.3-179-74.4174.570.887.58.8113.5Y103 L135 A136 V137 D141Y103-R139 WeakPolarHBondContact OH-CD 3.34Å; L135-R139 WeakPolarHBondContact O-CG 3.4Å; L135-R139 PolarHBondContact O-N 3.18Å; A136-R139 PolarHBondContact O-N 2.98Å; V137-R139 PolarHBondContact O-N 3.35Å; R139-D141 IonicContact NE-OD2 2.61Å; R139-D141 PolarHBondContact NE-OD2 2.88Å; R139-D141 IonicContact NH2-OD2 3.4Å; R139-D141 PolarHBondContact O-N 3.43Å; R139-D141 VanDerWaalsContact O-N 3.17Å
140D84.7Confident92.6Very high134 Ų13450.6 Ų50.672%0.71729%0.294SS*.  trans52.337.4174.8-15922.4000113.1A138 G142A138-D140 VanDerWaalsContact C-N 3.34Å; D140-G142 VanDerWaalsContact C-N 3.35Å
141D89.4Confident92.5Very high62 Ų6249.9 Ų49.933%0.33229%0.291SS..SBendtrans-91.94.2-178.155.419.3000113.2R139 L143R139-D141 IonicContact NE-OD2 2.61Å; R139-D141 PolarHBondContact NE-OD2 2.88Å; R139-D141 IonicContact NH2-OD2 3.4Å; R139-D141 PolarHBondContact O-N 3.43Å; R139-D141 VanDerWaalsContact O-N 3.17Å; D141-L143 VanDerWaalsContact C-N 3.25Å; D141-L143 PolarHBondContact O-N 3.4Å; D141-L143 WeakPolarHBondContact OD1-CB 3.48Å; D141-L143 PolarHBondContact OD1-N 3.28Å
142G90.1Very high92Very high71 Ų7152.4 Ų52.473%0.73231%0.31SS*.SBendtrans74.47.8-179.800000114.9D140D140-G142 VanDerWaalsContact C-N 3.35Å
143L92.9Very high90.9Very high43 Ų4361.7 Ų61.723%0.22535%0.35CS..  trans-94.6-18.1179.9-59.6171.8000113.3Q37 L69 P71 D141Q37-L143 PolarHBondContact NE2-O 3.2Å; L69-L143 WeakPolarHBondContact O-CD1 3.35Å; P71-L143 HydrophobicContact CG-CD1 3.89Å; D141-L143 VanDerWaalsContact C-N 3.25Å; D141-L143 PolarHBondContact O-N 3.4Å; D141-L143 WeakPolarHBondContact OD1-CB 3.48Å; D141-L143 PolarHBondContact OD1-N 3.28Å
144F94.6Very high89.6Confident36 Ų3666.3 Ų66.316%0.15837%0.37CS..  trans-69.7136173.8176.3-91.6000111W33 A136 V137 P148 F151W33-F144 AromaticContact CD1-CE2 3.84Å; W33-F144 AromaticContact CE2-CE2 3.99Å; W33-F144 HydrophobicContact CZ2-CE2 4.45Å; W33-F144 AromaticContact NE1-CD2 3.86Å; W33-F144 AromaticContact NE1-CE2 3.22Å; W33-F144 AromaticContact NE1-CZ 3.92Å; A136-F144 HydrophobicContact CB-CB 4.4Å; A136-F144 HydrophobicContact CB-CD2 3.76Å; V137-F144 HydrophobicContact CG2-CD1 4.05Å; V137-F144 HydrophobicContact CG2-CD2 3.81Å; V137-F144 HydrophobicContact CG2-CE1 3.77Å; V137-F144 HydrophobicContact CG2-CE2 3.48Å; V137-F144 VanDerWaalsContact CG2-CE2 3.48Å; V137-F144 HydrophobicContact CG2-CG 4.07Å; V137-F144 HydrophobicContact CG2-CZ 3.47Å; V137-F144 VanDerWaalsContact CG2-CZ 3.47Å; F144-P148 HydrophobicContact CE1-CG 4.2Å; F144-F151 AromaticContact CE2-CD2 3.9Å; F144-F151 HydrophobicContact CE2-CD2 3.9Å; F144-F151 AromaticContact CE2-CE2 3.65Å; F144-F151 HydrophobicContact CE2-CE2 3.65Å; F144-F151 AromaticContact CZ-CD2 3.85Å; F144-F151 HydrophobicContact CZ-CD2 3.85Å; F144-F151 AromaticContact CZ-CE2 3.71Å; F144-F151 HydrophobicContact CZ-CE2 3.71Å
145S93.4Very high88Confident50 Ų5072.1 Ų72.135%0.3541%0.41SS..  trans-124.9136.3177-610000110.4Q37Q37-S145 PolarHBondContact OE1-O 3.31Å
146G92.4Very high86.5Confident36 Ų3678.1 Ų78.137%0.37144%0.435SS..SBendtrans119.5-169.5-179.300000112.9P148G146-P148 WeakPolarHBondContact O-CD 3.2Å
147D92.8Very high85.3Confident63 Ų6386.6 Ų86.634%0.33747%0.474SS..  trans-85118.5177.2-171.6-17.3000110.1N149 W150D147-N149 PolarHBondContact O-N 3.47Å; D147-N149 VanDerWaalsContact O-N 3.14Å; D147-N149 VanDerWaalsContact OD1-CB 3.27Å; D147-N149 WeakPolarHBondContact OD1-CB 3.06Å; D147-N149 VanDerWaalsContact OD1-CG 3.31Å; D147-N149 PolarHBondContact OD1-N 2.95Å; D147-N149 PolarHBondContact OD1-ND2 3.38Å; D147-W150 HydrophobicContact CB-CD2 3.82Å; D147-W150 HydrophobicContact CB-CE3 4.31Å; D147-W150 HydrophobicContact CB-CG 4.19Å; D147-W150 HydrophobicContact CB-CH2 4.31Å; D147-W150 HydrophobicContact CB-CZ2 3.79Å; D147-W150 WeakPolarHBondContact O-CB 3.4Å; D147-W150 PolarHBondContact O-N 3.09Å
148P91.8Very high84.3Confident65 Ų6591 Ų9142%0.42250%0.496SS..G310 helixtrans-58.6-23.8176.3-25.236.2000114.1V137 F144 G146 W150 F151V137-P148 HydrophobicContact CG1-CB 3.91Å; V137-P148 HydrophobicContact CG2-CB 4.27Å; F144-P148 HydrophobicContact CE1-CG 4.2Å; G146-P148 WeakPolarHBondContact O-CD 3.2Å; P148-W150 PolarHBondContact O-N 3.4Å; P148-F151 PolarHBondContact O-N 3.19Å
149N92Very high83.7Confident141 Ų14193.1 Ų93.175%0.75451%0.507SS*.G310 helixtrans-70.4-14.3-179-60.4-49.6000113.3D147 F151D147-N149 PolarHBondContact O-N 3.47Å; D147-N149 VanDerWaalsContact O-N 3.14Å; D147-N149 VanDerWaalsContact OD1-CB 3.27Å; D147-N149 WeakPolarHBondContact OD1-CB 3.06Å; D147-N149 VanDerWaalsContact OD1-CG 3.31Å; D147-N149 PolarHBondContact OD1-N 2.95Å; D147-N149 PolarHBondContact OD1-ND2 3.38Å; N149-F151 PolarHBondContact O-N 3.46Å
150W93Very high83.1Confident46 Ų4695.6 Ų95.617%0.17452%0.517CS..G310 helixtrans-63-24.6171.1-67.2-20000112.8I29 Q32 W33 M130 D147 P148I29-W150 HydrophobicContact CG2-CB 3.57Å; I29-W150 HydrophobicContact CG2-CG 3.83Å; Q32-W150 HydrophobicContact CG-CH2 3.76Å; Q32-W150 HydrophobicContact CG-CZ2 3.78Å; W33-W150 HydrophobicContact CB-CE3 3.8Å; W33-W150 HydrophobicContact CB-CZ3 3.99Å; W33-W150 HydrophobicContact CG-CE3 4.34Å; M130-W150 WeakPolarHBondContact CE-O 3.28Å; D147-W150 HydrophobicContact CB-CD2 3.82Å; D147-W150 HydrophobicContact CB-CE3 4.31Å; D147-W150 HydrophobicContact CB-CG 4.19Å; D147-W150 HydrophobicContact CB-CH2 4.31Å; D147-W150 HydrophobicContact CB-CZ2 3.79Å; D147-W150 WeakPolarHBondContact O-CB 3.4Å; D147-W150 PolarHBondContact O-N 3.09Å; P148-W150 PolarHBondContact O-N 3.4Å
151F93.4Very high83Confident7 Ų796.4 Ų96.43%0.03152%0.521CS..SBendtrans-112.4139.9-176.7-58.9-74.6000111.1W33 M130 V137 F144 P148 N149 K153W33-F151 HydrophobicContact CB-CE2 4.32Å; W33-F151 HydrophobicContact CB-CZ 3.88Å; W33-F151 AromaticContact CD1-CE2 3.75Å; W33-F151 AromaticContact CD1-CZ 3.9Å; W33-F151 HydrophobicContact CD2-CE1 4.26Å; W33-F151 AromaticContact CD2-CE2 3.92Å; W33-F151 HydrophobicContact CD2-CE2 3.92Å; W33-F151 AromaticContact CD2-CZ 3.3Å; W33-F151 HydrophobicContact CD2-CZ 3.3Å; W33-F151 AromaticContact CE2-CZ 3.76Å; W33-F151 HydrophobicContact CE3-CE1 4.13Å; W33-F151 AromaticContact CE3-CZ 3.59Å; W33-F151 HydrophobicContact CE3-CZ 3.59Å; W33-F151 AromaticContact CG-CE2 3.73Å; W33-F151 HydrophobicContact CG-CE2 3.73Å; W33-F151 AromaticContact CG-CZ 3.41Å; W33-F151 HydrophobicContact CG-CZ 3.41Å; W33-F151 VanDerWaalsContact CG-CZ 3.41Å; W33-F151 HydrophobicContact CZ2-CZ 4.4Å; W33-F151 HydrophobicContact CZ3-CE1 4.46Å; W33-F151 HydrophobicContact CZ3-CZ 4.24Å; W33-F151 AromaticContact NE1-CE2 3.94Å; M130-F151 HydrophobicContact CE-CD1 3.96Å; M130-F151 HydrophobicContact CE-CE1 4.26Å; M130-F151 WeakPolarHBondContact O-CD1 3.4Å; M130-F151 HydrophobicContact SD-CD1 4.16Å; M130-F151 HydrophobicContact SD-CE1 3.88Å; V137-F151 HydrophobicContact CG2-CB 4.35Å; V137-F151 HydrophobicContact CG2-CD2 3.87Å; V137-F151 HydrophobicContact CG2-CG 4.43Å; F144-F151 AromaticContact CE2-CD2 3.9Å; F144-F151 HydrophobicContact CE2-CD2 3.9Å; F144-F151 AromaticContact CE2-CE2 3.65Å; F144-F151 HydrophobicContact CE2-CE2 3.65Å; F144-F151 AromaticContact CZ-CD2 3.85Å; F144-F151 HydrophobicContact CZ-CD2 3.85Å; F144-F151 AromaticContact CZ-CE2 3.71Å; F144-F151 HydrophobicContact CZ-CE2 3.71Å; P148-F151 PolarHBondContact O-N 3.19Å; N149-F151 PolarHBondContact O-N 3.46Å; F151-K153 PolarHBondContact O-N 2.97Å
152P84Confident82.7Confident99 Ų9998.3 Ų98.364%0.64353%0.526SS*.  trans-57.3125.3174.3-22.131.9000110.4K154P152-K154 PolarHBondContact O-N 3.17Å; P152-K154 VanDerWaalsContact O-N 3.1Å
153K72.7Confident82.5Confident194 Ų19498.1 Ų98.184%0.84351%0.514SS*.  trans-64.3113.7177.2-170.5174.3-174.7174.30109.3F151 S155F151-K153 PolarHBondContact O-N 2.97Å; K153-S155 PolarHBondContact O-N 3.38Å
154K68.8Low82.1Confident98 Ų98102.7 Ų102.743%0.42654%0.539SS..PPolyproline II helixtrans-65.7130.4172-69.6-166.2177.9-170.20109.4P152 K156P152-K154 PolarHBondContact O-N 3.17Å; P152-K154 VanDerWaalsContact O-N 3.1Å; K154-K156 PolarHBondContact O-N 3.44Å
155S61.2Low81.6Confident126 Ų126105.7 Ų105.788%0.88156%0.557SS**PPolyproline II helixtrans-62.5120.9173.7-59.60000109.5K153K153-S155 PolarHBondContact O-N 3.38Å
156K61.2Low81.1Confident155 Ų155108 Ų10867%0.67456%0.562SS**PPolyproline II helixtrans-82.6139.5169-69.2-175.1177.3-176.50108.4K154 N158K154-K156 PolarHBondContact O-N 3.44Å; K156-N158 PolarHBondContact O-N 3.29Å
157E69.1Low80.8Confident179 Ų179110.5 Ų110.584%0.83657%0.566SS**PPolyproline II helixtrans-59.1136.1170.860176.8-171.300109.6P159E157-P159 VanDerWaalsContact C-CD 3.45Å; E157-P159 VanDerWaalsContact O-CD 3.28Å; E157-P159 WeakPolarHBondContact O-CD 3.25Å
158N71.8Confident80.3Confident130 Ų130113.3 Ų113.370%0.69558%0.577SS**  trans-114.581173.9-175.921.4000107.9K156 R160K156-N158 PolarHBondContact O-N 3.29Å; N158-R160 PolarHBondContact O-N 3.07Å
159P78.7Confident79.8Confident81 Ų81115.7 Ų115.753%0.52658%0.583SS.*  trans-62.8113.1178.225.3-32.3000108.9E157 N161E157-P159 VanDerWaalsContact C-CD 3.45Å; E157-P159 VanDerWaalsContact O-CD 3.28Å; E157-P159 WeakPolarHBondContact O-CD 3.25Å; P159-N161 PolarHBondContact O-N 3.45Å
160R76.9Confident79.2Confident191 Ų191111.1 Ų111.172%0.72157%0.568SS**  trans-81.6103.5173.2-68-176.4-179.2178-0108.1N158 F162N158-R160 PolarHBondContact O-N 3.07Å; R160-F162 HydrophobicContact CB-CE2 4.11Å; R160-F162 HydrophobicContact CB-CZ 4.08Å; R160-F162 PolarHBondContact O-N 3.22Å
161N81.9Confident78.6Confident152 Ų152117.3 Ų117.381%0.81360%0.597SS**  trans-82.4111.2170.8-64.9-48.1000108.5P159P159-N161 PolarHBondContact O-N 3.45Å
162F84.9Confident77.7Confident101 Ų101123.2 Ų123.244%0.44363%0.628SS.*  trans-86.8144.3170-60.1-73.2000109R160 Q166 L167R160-F162 HydrophobicContact CB-CE2 4.11Å; R160-F162 HydrophobicContact CB-CZ 4.08Å; R160-F162 PolarHBondContact O-N 3.22Å; F162-Q166 HydrophobicContact CD1-CG 4.37Å; F162-L167 HydrophobicContact CB-CD1 4.45Å; F162-L167 HydrophobicContact CB-CD2 3.87Å; F162-L167 HydrophobicContact CB-CG 3.84Å; F162-L167 HydrophobicContact CD2-CD2 4.26Å; F162-L167 HydrophobicContact CG-CD2 4.37Å
163S86Confident77.2Confident67 Ų67123.8 Ų123.847%0.46963%0.63SS.*  trans-67.1152.1172.165.90000110.7N165 Q166 L167S163-N165 PolarHBondContact O-N 3.17Å; S163-Q166 WeakPolarHBondContact O-CB 3.47Å; S163-Q166 PolarHBondContact O-N 3.39Å; S163-Q166 VanDerWaalsContact OG-CB 3.3Å; S163-Q166 WeakPolarHBondContact OG-CB 3.3Å; S163-Q166 PolarHBondContact OG-N 3.44Å; S163-L167 PolarHBondContact O-N 3.05Å
164D84.4Confident76.8Confident139 Ų139121.7 Ų121.774%0.74363%0.627SS**Hα-helixtrans-55.4-36.5176.8-74.5-26000112L167 Q168D164-L167 PolarHBondContact O-N 3.02Å; D164-Q168 WeakPolarHBondContact O-CB 3.36Å; D164-Q168 PolarHBondContact O-N 2.82Å
165N84.1Confident76.6Confident100 Ų100119.5 Ų119.554%0.53563%0.631SS.*Hα-helixtrans-66.3-42.5176.9-160.518.8000111.7S163 L167 Q168 E169S163-N165 PolarHBondContact O-N 3.17Å; N165-L167 PolarHBondContact O-N 3.47Å; N165-Q168 PolarHBondContact O-N 3.19Å; N165-Q168 VanDerWaalsContact O-N 3.17Å; N165-E169 WeakPolarHBondContact O-CB 3.49Å; N165-E169 WeakPolarHBondContact O-CG 3.34Å; N165-E169 PolarHBondContact O-N 2.92Å
166Q82.3Confident76.7Confident98 Ų98122.5 Ų122.546%0.45864%0.637SS.*Hα-helixtrans-66.1-36.3176.1-174.3175.62.200112.4F162 S163 Q168 G170F162-Q166 HydrophobicContact CD1-CG 4.37Å; S163-Q166 WeakPolarHBondContact O-CB 3.47Å; S163-Q166 PolarHBondContact O-N 3.39Å; S163-Q166 VanDerWaalsContact OG-CB 3.3Å; S163-Q166 WeakPolarHBondContact OG-CB 3.3Å; S163-Q166 PolarHBondContact OG-N 3.44Å; Q166-Q168 VanDerWaalsContact C-N 3.32Å; Q166-G170 PolarHBondContact O-N 2.94Å
167L84.8Confident76.5Confident88 Ų88124.3 Ų124.346%0.46165%0.647SS.*Hα-helixtrans-66.1-36.5172.7-69.9170.7000111.5F162 S163 D164 N165 K171F162-L167 HydrophobicContact CB-CD1 4.45Å; F162-L167 HydrophobicContact CB-CD2 3.87Å; F162-L167 HydrophobicContact CB-CG 3.84Å; F162-L167 HydrophobicContact CD2-CD2 4.26Å; F162-L167 HydrophobicContact CG-CD2 4.37Å; S163-L167 PolarHBondContact O-N 3.05Å; D164-L167 PolarHBondContact O-N 3.02Å; N165-L167 PolarHBondContact O-N 3.47Å; L167-K171 PolarHBondContact O-N 3.44Å
168Q83Confident75.7Confident123 Ų123124 Ų12458%0.57565%0.648SS**Hα-helixtrans-72.9-42.3177.8-173.3168.2-35.800112.2D164 N165 Q166 G170 K171D164-Q168 WeakPolarHBondContact O-CB 3.36Å; D164-Q168 PolarHBondContact O-N 2.82Å; N165-Q168 PolarHBondContact O-N 3.19Å; N165-Q168 VanDerWaalsContact O-N 3.17Å; Q166-Q168 VanDerWaalsContact C-N 3.32Å; Q168-G170 VanDerWaalsContact C-N 3.26Å; Q168-G170 PolarHBondContact O-N 3.12Å; Q168-K171 WeakPolarHBondContact O-CB 3.42Å; Q168-K171 PolarHBondContact O-N 3.41Å; Q168-K171 VanDerWaalsContact O-N 3.12Å
169E81.8Confident75.1Confident115 Ų115121.2 Ų121.254%0.53765%0.65SS.*Hα-helixtrans-59.8-38.6172.3-74177.317000111.4N165 K171 N172N165-E169 WeakPolarHBondContact O-CB 3.49Å; N165-E169 WeakPolarHBondContact O-CG 3.34Å; N165-E169 PolarHBondContact O-N 2.92Å; E169-K171 VanDerWaalsContact C-N 3.25Å; E169-K171 PolarHBondContact O-N 3.08Å; E169-N172 PolarHBondContact O-N 3.28Å; E169-N172 VanDerWaalsContact O-N 3.08Å
170G79.9Confident74.1Confident44 Ų44123.1 Ų123.145%0.45466%0.66SS.*Hα-helixtrans-60.2-30.2174.700000114.2Q166 Q168 N172 V173Q166-G170 PolarHBondContact O-N 2.94Å; Q168-G170 VanDerWaalsContact C-N 3.26Å; Q168-G170 PolarHBondContact O-N 3.12Å; G170-N172 PolarHBondContact O-N 3.35Å; G170-V173 PolarHBondContact O-N 3.38Å
171K78.6Confident73Confident176 Ų176121.1 Ų121.177%0.76566%0.664SS**Hα-helixtrans-69.5-22.3176.7-66.9174.8-177.1175.80113L167 Q168 E169L167-K171 PolarHBondContact O-N 3.44Å; Q168-K171 WeakPolarHBondContact O-CB 3.42Å; Q168-K171 PolarHBondContact O-N 3.41Å; Q168-K171 VanDerWaalsContact O-N 3.12Å; E169-K171 VanDerWaalsContact C-N 3.25Å; E169-K171 PolarHBondContact O-N 3.08Å
172N75.9Confident71.7Confident131 Ų131125 Ų12570%0.70167%0.667SS**THydrogen-bonded Turntrans-90.3-5.3-179.7-65.7-25.8000112.9E169 G170 I174E169-N172 PolarHBondContact O-N 3.28Å; E169-N172 VanDerWaalsContact O-N 3.08Å; G170-N172 PolarHBondContact O-N 3.35Å; N172-I174 PolarHBondContact O-N 3.3Å
173V72.9Confident70.6Confident112 Ų112123.6 Ų123.668%0.67968%0.681SS**  trans-84.2100.9177.5-178.20000109.3G170 G175G170-V173 PolarHBondContact O-N 3.38Å; V173-G175 PolarHBondContact O-N 3.36Å
174I64.9Low69.3Low150 Ų150125.4 Ų125.477%0.76970%0.7SS**  trans-73.8117.3172.7-57.9176.9000108.3N172 L176N172-I174 PolarHBondContact O-N 3.3Å; I174-L176 PolarHBondContact O-N 3.45Å
175G64.2Low68.3Low51 Ų51124 Ų12453%0.52670%0.701SS.*  trans-62131.8176.600000111.8V173 Q177V173-G175 PolarHBondContact O-N 3.36Å; G175-Q177 PolarHBondContact O-N 2.8Å
176L62.5Low66.9Low189 Ų189128.9 Ų128.999%0.9972%0.721SS**THydrogen-bonded Turntrans-63.818.5179.4-93.8157.2000115.2I174I174-L176 PolarHBondContact O-N 3.45Å
177Q57.8Low65.1Low193 Ų193132.6 Ų132.690%0.90277%0.768SS**THydrogen-bonded Turntrans-100.7-12.1178.3-79.2-171.7-27.400114.2G175 G179G175-Q177 PolarHBondContact O-N 2.8Å; Q177-G179 PolarHBondContact O-N 3.39Å
178M52.8Low64.1Low174 Ų174134.8 Ų134.886%0.85778%0.783SS**SBendtrans-92.995177.4-75.8-78.9-124.400110.6
179G58.2Low63.1Low70 Ų70135.4 Ų135.472%0.72279%0.794SS**  trans48.2120.7146.200000119.5Q177 N181Q177-G179 PolarHBondContact O-N 3.39Å; G179-N181 PolarHBondContact O-N 3.21Å
180T59Low62Low122 Ų122136.6 Ų136.675%0.74881%0.808SS**  trans-56.8124.7167.4144.90000111.6R182T180-R182 PolarHBondContact O-N 3.33Å; T180-R182 PolarHBondContact OG1-N 2.98Å
181N53Low61Low148 Ų148142 Ų14279%0.79183%0.829SS**  trans-80.67.7174.164.7-6000114.2G179 G183G179-N181 PolarHBondContact O-N 3.21Å; N181-G183 PolarHBondContact O-N 3.37Å
182R55.3Low59.9Low234 Ų234139.9 Ų139.988%0.88383%0.833SS**THydrogen-bonded Turntrans-80.141.3-177.2-64.3-170.9178.7-179.40.6114.4T180T180-R182 PolarHBondContact O-N 3.33Å; T180-R182 PolarHBondContact OG1-N 2.98Å
183G60.3Low58.8Low71 Ų71140.5 Ų140.573%0.73284%0.842SS**THydrogen-bonded Turntrans-135.4-8.9-176.100000116.8N181 S185N181-G183 PolarHBondContact O-N 3.37Å; G183-S185 PolarHBondContact O-N 3.37Å
184A59.1Low57.8Low105 Ų105142.5 Ų142.587%0.86885%0.854SS**  trans-95.984.1-178.400000111.2
185S65Low57.3Low110 Ų110141.9 Ų141.977%0.76986%0.86SS**  trans-97.1122.6159.559.10000109G183G183-S185 PolarHBondContact O-N 3.37Å
186Q52.8Low56.7Low203 Ų203149.5 Ų149.595%0.94989%0.888SS**  trans-75.6123.5168.7-69.6-171.8600108.8
187A44.6Very low56.2Low175 Ų175145.9 Ų145.9100%1.44688%0.879SS**  trans-108.6016100000108

Retrieved 187 of 187 residues in 40 ms (Link to these results)

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