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Interferon gamma

Type II interferon produced by immune cells such as T-cells and NK cells that plays crucial roles in antimicrobial, antiviral, and antitumor responses by activating effector immune cells and enhancing antigen presentation. Primarily signals through the JAK-STAT pathway after interaction with its receptor IFNGR1 to affect gene regulation. Upon IFNG binding, IFNGR1 intracellular domain opens out to allow association of downstream signaling components JAK2, JAK1 and STAT1, leading to STAT1 activation, nuclear translocation and transcription of IFNG-regulated genes. Many of the induced genes are transcription factors such as IRF1 that are able to further drive regulation of a next wave of transcription. Plays a role in class I antigen presentation pathway by inducing a replacement of catalytic proteasome subunits with immunoproteasome subunits. In turn, increases the quantity, quality, and repertoire of peptides for class I MHC loading. Increases the efficiency of peptide generation also by inducing the expression of activator PA28 that associates with the proteasome and alters its proteolytic cleavage preference. Up-regulates as well MHC II complexes on the cell surface by promoting expression of several key molecules such as cathepsins B/CTSB, H/CTSH, and L/CTSL. Participates in the regulation of hematopoietic stem cells during development and under homeostatic conditions by affecting their development, quiescence, and differentiation.

AlphaFold DB , UniProt , Accession A0A077D556, Species NEOVI (Neovison vison, American mink), Gene IFNG, Length 166 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
1M52.8Low66.3Low214 Ų214126 Ų126100%1.05462%0.616SS**  078.90-103.9157.373.900108.4
2N57.3Low66.3Low107 Ų107123.3 Ų123.357%0.57261%0.606SS**  trans-113.9-10.7-175.2-64.5-1.7000112.7T4 N5 Y6N2-T4 VanDerWaalsContact C-N 3.33Å; N2-T4 PolarHBondContact O-N 2.77Å; N2-N5 PolarHBondContact O-N 3.14Å; N2-Y6 HydrophobicContact CB-CD2 4.48Å; N2-Y6 HydrophobicContact CB-CE2 4.18Å; N2-Y6 WeakPolarHBondContact O-CD2 3.42Å; N2-Y6 PolarHBondContact O-N 3.19Å
3Y59Low66Low190 Ų190119.9 Ų119.975%0.74560%0.601SS**Hα-helixtrans-64.7-33.8-176-66.5-77.1000113.3N5 Y6 I7Y3-N5 VanDerWaalsContact C-N 3.33Å; Y3-N5 PolarHBondContact O-N 2.92Å; Y3-Y6 PolarHBondContact O-N 3.35Å; Y3-I7 VanDerWaalsContact O-CG1 3.3Å; Y3-I7 WeakPolarHBondContact O-CG1 3.26Å; Y3-I7 PolarHBondContact O-N 3.21Å
4T65.5Low66Low86 Ų86116.8 Ų116.853%0.52859%0.591SS.*Hα-helixtrans-64.1-37.7178.5-24.60000112.1N2 I7 L8N2-T4 VanDerWaalsContact C-N 3.33Å; N2-T4 PolarHBondContact O-N 2.77Å; T4-I7 PolarHBondContact O-N 3.24Å; T4-L8 WeakPolarHBondContact O-CB 2.89Å; T4-L8 WeakPolarHBondContact O-CG 3.41Å; T4-L8 PolarHBondContact O-N 2.87Å
5N62.1Low65.7Low117 Ų117115.9 Ų115.963%0.62659%0.587SS**Hα-helixtrans-70.1-35.6176.4-79.31.1000112.2N2 Y3 A9N2-N5 PolarHBondContact O-N 3.14Å; Y3-N5 VanDerWaalsContact C-N 3.33Å; Y3-N5 PolarHBondContact O-N 2.92Å; N5-A9 WeakPolarHBondContact O-CB 3.26Å; N5-A9 PolarHBondContact O-N 3.22Å
6Y70Confident64.9Low169 Ų169117.9 Ų117.966%0.66359%0.591SS**Hα-helixtrans-69.5-38.2174.9-74.5-73.6000112.4N2 Y3 A9 F10N2-Y6 HydrophobicContact CB-CD2 4.48Å; N2-Y6 HydrophobicContact CB-CE2 4.18Å; N2-Y6 WeakPolarHBondContact O-CD2 3.42Å; N2-Y6 PolarHBondContact O-N 3.19Å; Y3-Y6 PolarHBondContact O-N 3.35Å; Y6-A9 PolarHBondContact O-N 2.81Å; Y6-F10 WeakPolarHBondContact O-CB 3.34Å; Y6-F10 PolarHBondContact O-N 3.15Å
7I73.5Confident64.2Low101 Ų101116.6 Ų116.652%0.51859%0.594SS.*Hα-helixtrans-65.6-44175.8-67165.1000110.4Y3 T4 F10 Q11Y3-I7 VanDerWaalsContact O-CG1 3.3Å; Y3-I7 WeakPolarHBondContact O-CG1 3.26Å; Y3-I7 PolarHBondContact O-N 3.21Å; T4-I7 PolarHBondContact O-N 3.24Å; I7-F10 PolarHBondContact O-N 3.07Å; I7-Q11 WeakPolarHBondContact O-CG 3.45Å; I7-Q11 PolarHBondContact O-N 3.47Å
8L71.9Confident63.6Low92 Ų92112.6 Ų112.648%0.48258%0.578SS.*Hα-helixtrans-63.1-43.6175.7-75.8167.8000112.1T4 F10 Q11 L12T4-L8 WeakPolarHBondContact O-CB 2.89Å; T4-L8 WeakPolarHBondContact O-CG 3.41Å; T4-L8 PolarHBondContact O-N 2.87Å; L8-F10 VanDerWaalsContact C-N 3.33Å; L8-F10 PolarHBondContact O-N 3.09Å; L8-Q11 PolarHBondContact O-N 2.98Å; L8-L12 WeakPolarHBondContact O-CB 3.38Å; L8-L12 WeakPolarHBondContact O-CG 3.38Å; L8-L12 PolarHBondContact O-N 3.36Å
9A72.2Confident63Low52 Ų52109.7 Ų109.743%0.4357%0.569SS.*Hα-helixtrans-62.7-39.517600000112.2N5 Y6 L12 C13N5-A9 WeakPolarHBondContact O-CB 3.26Å; N5-A9 PolarHBondContact O-N 3.22Å; Y6-A9 PolarHBondContact O-N 2.81Å; A9-L12 PolarHBondContact O-N 3.01Å; A9-C13 PolarHBondContact O-N 2.87Å
10F72.5Confident62.7Low144 Ų144106.3 Ų106.363%0.63256%0.562SS**Hα-helixtrans-67.3-43.1176.4-173.8-99.3000112.1Y6 I7 L8 L12 C13 V14Y6-F10 WeakPolarHBondContact O-CB 3.34Å; Y6-F10 PolarHBondContact O-N 3.15Å; I7-F10 PolarHBondContact O-N 3.07Å; L8-F10 VanDerWaalsContact C-N 3.33Å; L8-F10 PolarHBondContact O-N 3.09Å; F10-L12 PolarHBondContact O-N 3.31Å; F10-C13 PolarHBondContact O-N 3.49Å; F10-V14 HydrophobicContact CD1-CG2 4.22Å; F10-V14 HydrophobicContact CE1-CG2 3.86Å; F10-V14 HydrophobicContact CZ-CG2 4.07Å; F10-V14 WeakPolarHBondContact O-CG2 3.37Å; F10-V14 PolarHBondContact O-N 3.02Å
11Q72.9Confident62.4Low114 Ų114109.3 Ų109.353%0.53357%0.567SS.*Hα-helixtrans-63.4-40.6175.6-73.2-160-16.400112.2I7 L8 V14 I15I7-Q11 WeakPolarHBondContact O-CG 3.45Å; I7-Q11 PolarHBondContact O-N 3.47Å; L8-Q11 PolarHBondContact O-N 2.98Å; Q11-V14 PolarHBondContact O-N 3.48Å; Q11-I15 WeakPolarHBondContact O-CD1 3.46Å; Q11-I15 VanDerWaalsContact O-CG1 3.25Å; Q11-I15 WeakPolarHBondContact O-CG1 3.25Å; Q11-I15 PolarHBondContact O-N 3.37Å
12L66.2Low62.6Low94 Ų94107.2 Ų107.249%0.49255%0.548SS..Hα-helixtrans-62.4-44.3173.5-72.1170.1000111.4L8 A9 F10 V14 I15 F16L8-L12 WeakPolarHBondContact O-CB 3.38Å; L8-L12 WeakPolarHBondContact O-CG 3.38Å; L8-L12 PolarHBondContact O-N 3.36Å; A9-L12 PolarHBondContact O-N 3.01Å; F10-L12 PolarHBondContact O-N 3.31Å; L12-V14 PolarHBondContact O-N 3.2Å; L12-I15 PolarHBondContact O-N 3.08Å; L12-F16 HydrophobicContact CD2-CE2 4.46Å; L12-F16 WeakPolarHBondContact O-CB 3.4Å; L12-F16 VanDerWaalsContact O-CD2 3.27Å; L12-F16 WeakPolarHBondContact O-CD2 3.46Å; L12-F16 PolarHBondContact O-N 3.31Å
13C62.4Low62.8Low79 Ų79106.2 Ų106.253%0.53455%0.549SS..Hα-helixtrans-59.9-41.7175.4-86.10000112.9A9 F10 F16 C17A9-C13 PolarHBondContact O-N 2.87Å; F10-C13 PolarHBondContact O-N 3.49Å; C13-F16 PolarHBondContact O-N 3.41Å; C13-C17 WeakPolarHBondContact O-CB 3.5Å; C13-C17 PolarHBondContact O-N 3.07Å; C13-C17 PolarHBondContact O-SG 3.32Å; C13-C17 VanDerWaalsContact O-SG 3.4Å
14V65.3Low63.2Low76 Ų76101.8 Ų101.846%0.46154%0.535SS..Hα-helixtrans-66.6-39.3178.2174.20000111.2F10 Q11 L12 S18F10-V14 HydrophobicContact CD1-CG2 4.22Å; F10-V14 HydrophobicContact CE1-CG2 3.86Å; F10-V14 HydrophobicContact CZ-CG2 4.07Å; F10-V14 WeakPolarHBondContact O-CG2 3.37Å; F10-V14 PolarHBondContact O-N 3.02Å; Q11-V14 PolarHBondContact O-N 3.48Å; L12-V14 PolarHBondContact O-N 3.2Å; V14-S18 VanDerWaalsContact O-CB 3.24Å; V14-S18 WeakPolarHBondContact O-CB 3.38Å; V14-S18 PolarHBondContact O-N 2.9Å; V14-S18 PolarHBondContact O-OG 3.18Å
15I61.4Low63.5Low104 Ų104100.1 Ų100.153%0.53353%0.53SS..Hα-helixtrans-68.9-42.5177.3-65.4164.9000111.3Q11 L12 S18 S19Q11-I15 WeakPolarHBondContact O-CD1 3.46Å; Q11-I15 VanDerWaalsContact O-CG1 3.25Å; Q11-I15 WeakPolarHBondContact O-CG1 3.25Å; Q11-I15 PolarHBondContact O-N 3.37Å; L12-I15 PolarHBondContact O-N 3.08Å; I15-S18 WeakPolarHBondContact CA-OG 3.4Å; I15-S18 PolarHBondContact O-OG 3.48Å; I15-S18 VanDerWaalsContact O-OG 3.08Å; I15-S19 WeakPolarHBondContact O-CB 3.4Å; I15-S19 PolarHBondContact O-N 3.05Å; I15-S19 PolarHBondContact O-OG 3.27Å
16F54.2Low64.3Low148 Ų14898.6 Ų98.665%0.64952%0.52SS*.Hα-helixtrans-71.5-36.8177.9-86.3-74.9000113.3L12 C13 S19L12-F16 HydrophobicContact CD2-CE2 4.46Å; L12-F16 WeakPolarHBondContact O-CB 3.4Å; L12-F16 VanDerWaalsContact O-CD2 3.27Å; L12-F16 WeakPolarHBondContact O-CD2 3.46Å; L12-F16 PolarHBondContact O-N 3.31Å; C13-F16 PolarHBondContact O-N 3.41Å; F16-S19 PolarHBondContact O-OG 3.16Å; F16-S19 VanDerWaalsContact O-OG 3.1Å
17C52.3Low65Low95 Ų9592.2 Ų92.264%0.64250%0.496SS*.Hα-helixtrans-71.9-36.6175.7-77.90000112.2C13 Y21C13-C17 WeakPolarHBondContact O-CB 3.5Å; C13-C17 PolarHBondContact O-N 3.07Å; C13-C17 PolarHBondContact O-SG 3.32Å; C13-C17 VanDerWaalsContact O-SG 3.4Å; C17-Y21 PolarHBondContact O-N 3.28Å
18S52.7Low65.6Low45 Ų4592.9 Ų92.932%0.31550%0.495SS..Hα-helixtrans-71.6-40.917854.40000112.1V14 I15 G20 Y21 Y22V14-S18 VanDerWaalsContact O-CB 3.24Å; V14-S18 WeakPolarHBondContact O-CB 3.38Å; V14-S18 PolarHBondContact O-N 2.9Å; V14-S18 PolarHBondContact O-OG 3.18Å; I15-S18 WeakPolarHBondContact CA-OG 3.4Å; I15-S18 PolarHBondContact O-OG 3.48Å; I15-S18 VanDerWaalsContact O-OG 3.08Å; S18-G20 VanDerWaalsContact C-N 3.33Å; S18-G20 PolarHBondContact O-N 3.28Å; S18-Y21 PolarHBondContact O-N 3.24Å; S18-Y21 VanDerWaalsContact O-N 3.16Å; S18-Y22 WeakPolarHBondContact O-CD2 3.49Å; S18-Y22 PolarHBondContact O-N 3.3Å
19S53.5Low66.5Low57 Ų5794.9 Ų94.940%0.39950%0.5SS..Hα-helixtrans-60.8-40.1179.767.30000112.8I15 F16 C23I15-S19 WeakPolarHBondContact O-CB 3.4Å; I15-S19 PolarHBondContact O-N 3.05Å; I15-S19 PolarHBondContact O-OG 3.27Å; F16-S19 PolarHBondContact O-OG 3.16Å; F16-S19 VanDerWaalsContact O-OG 3.1Å; S19-C23 WeakPolarHBondContact O-CB 3.39Å; S19-C23 PolarHBondContact O-N 3.02Å; S19-C23 VanDerWaalsContact O-N 3.08Å; S19-C23 PolarHBondContact O-SG 3.1Å
20G55.6Low67.4Low42 Ų4292.9 Ų92.943%0.43348%0.481SS..Hα-helixtrans-62.9-41.9174.400000113.2S18 Q24S18-G20 VanDerWaalsContact C-N 3.33Å; S18-G20 PolarHBondContact O-N 3.28Å; G20-Q24 WeakPolarHBondContact O-CB 3.13Å; G20-Q24 PolarHBondContact O-N 3.43Å; G20-Q24 VanDerWaalsContact O-N 3.14Å
21Y57.1Low68.3Low169 Ų16988.3 Ų88.366%0.66346%0.463SS*.Hα-helixtrans-70.2-42.8179.6-171-99.2000112.7C17 S18 Q24 A25C17-Y21 PolarHBondContact O-N 3.28Å; S18-Y21 PolarHBondContact O-N 3.24Å; S18-Y21 VanDerWaalsContact O-N 3.16Å; Y21-Q24 PolarHBondContact O-N 3.17Å; Y21-A25 WeakPolarHBondContact O-CB 3.09Å; Y21-A25 PolarHBondContact O-N 2.86Å
22Y57.4Low69.2Low171 Ų17187.4 Ų87.467%0.67146%0.459SS*.Hα-helixtrans-63.9-41176.6-83.1-73.6000112.1S18 Q24 A25 M26S18-Y22 WeakPolarHBondContact O-CD2 3.49Å; S18-Y22 PolarHBondContact O-N 3.3Å; Y22-Q24 PolarHBondContact O-N 3.25Å; Y22-A25 PolarHBondContact O-N 3.4Å; Y22-M26 WeakPolarHBondContact O-CB 3.39Å; Y22-M26 PolarHBondContact O-N 3.35Å
23C60.5Low70.5Confident86 Ų8685.9 Ų85.958%0.58145%0.451SS*.Hα-helixtrans-63.1-41.1175.4-73.80000112.1S19 M26 F27S19-C23 WeakPolarHBondContact O-CB 3.39Å; S19-C23 PolarHBondContact O-N 3.02Å; S19-C23 VanDerWaalsContact O-N 3.08Å; S19-C23 PolarHBondContact O-SG 3.1Å; C23-M26 PolarHBondContact O-N 3.13Å; C23-F27 PolarHBondContact O-N 2.86Å
24Q67.7Low71.9Confident97 Ų9783 Ų8345%0.45343%0.43SS..Hα-helixtrans-68.3-40.5178.2-174.8170.9-1.900112.2G20 Y21 Y22 F27 F28G20-Q24 WeakPolarHBondContact O-CB 3.13Å; G20-Q24 PolarHBondContact O-N 3.43Å; G20-Q24 VanDerWaalsContact O-N 3.14Å; Y21-Q24 PolarHBondContact O-N 3.17Å; Y22-Q24 PolarHBondContact O-N 3.25Å; Q24-F27 PolarHBondContact O-N 3.41Å; Q24-F28 HydrophobicContact CG-CD2 3.9Å; Q24-F28 HydrophobicContact CG-CE2 3.55Å; Q24-F28 WeakPolarHBondContact O-CD2 3.3Å; Q24-F28 PolarHBondContact O-N 2.96Å; Q24-F28 VanDerWaalsContact O-N 3.13Å
25A73.1Confident73.2Confident50 Ų5082.6 Ų82.641%0.41342%0.422SS..Hα-helixtrans-64.5-39.4176.300000112.3Y21 Y22 K29Y21-A25 WeakPolarHBondContact O-CB 3.09Å; Y21-A25 PolarHBondContact O-N 2.86Å; Y22-A25 PolarHBondContact O-N 3.4Å; A25-K29 PolarHBondContact O-N 3.12Å; A25-K29 VanDerWaalsContact O-N 3.14Å
26M79.1Confident74.8Confident85 Ų8584.9 Ų84.942%0.41943%0.431SS..Hα-helixtrans-64.7-45.2175.6-168.8174.1-170.200111.3Y22 C23 F28 K29 E30Y22-M26 WeakPolarHBondContact O-CB 3.39Å; Y22-M26 PolarHBondContact O-N 3.35Å; C23-M26 PolarHBondContact O-N 3.13Å; M26-F28 PolarHBondContact O-N 3.37Å; M26-K29 WeakPolarHBondContact O-CB 3.36Å; M26-K29 PolarHBondContact O-N 2.94Å; M26-E30 WeakPolarHBondContact O-CG 3.37Å; M26-E30 PolarHBondContact O-N 3.02Å; M26-E30 VanDerWaalsContact O-N 3.07Å
27F82.7Confident76.7Confident36 Ų3682.6 Ų82.616%0.15842%0.419CS..Hα-helixtrans-57.6-46177175.2-102.2000113.1C23 Q24 K29 E30 I31 I96 D99C23-F27 PolarHBondContact O-N 2.86Å; Q24-F27 PolarHBondContact O-N 3.41Å; F27-K29 VanDerWaalsContact C-N 3.32Å; F27-K29 PolarHBondContact O-N 3.29Å; F27-E30 PolarHBondContact O-N 2.81Å; F27-I31 HydrophobicContact CD1-CD1 3.86Å; F27-I31 HydrophobicContact CE1-CD1 3.28Å; F27-I31 HydrophobicContact CE1-CG1 4.43Å; F27-I31 HydrophobicContact CE2-CD1 4.15Å; F27-I31 HydrophobicContact CZ-CD1 3.47Å; F27-I31 VanDerWaalsContact CZ-CD1 3.47Å; F27-I31 HydrophobicContact CZ-CG1 4.39Å; F27-I31 PolarHBondContact O-N 3.28Å; F27-I31 VanDerWaalsContact O-N 3.14Å; F27-I96 HydrophobicContact CD2-CG1 4.17Å; F27-I96 HydrophobicContact CE2-CB 4.32Å; F27-I96 HydrophobicContact CE2-CG1 4.01Å; F27-I96 HydrophobicContact CE2-CG2 4.16Å; F27-D99 HydrophobicContact CD2-CB 3.84Å; F27-D99 VanDerWaalsContact CD2-OD2 3.32Å; F27-D99 WeakPolarHBondContact CD2-OD2 3.31Å; F27-D99 HydrophobicContact CE2-CB 4Å; F27-D99 WeakPolarHBondContact CE2-OD2 3.39Å
28F86.6Confident78.6Confident115 Ų11582.3 Ų82.350%0.50441%0.407SS..Hα-helixtrans-64.7-36.7177.4-78.5-62.4000112.9Q24 M26 I31 E32Q24-F28 HydrophobicContact CG-CD2 3.9Å; Q24-F28 HydrophobicContact CG-CE2 3.55Å; Q24-F28 WeakPolarHBondContact O-CD2 3.3Å; Q24-F28 PolarHBondContact O-N 2.96Å; Q24-F28 VanDerWaalsContact O-N 3.13Å; M26-F28 PolarHBondContact O-N 3.37Å; F28-I31 PolarHBondContact O-N 2.86Å; F28-E32 PolarHBondContact O-N 3.36Å
29K90.3Very high80.5Confident133 Ų13384.6 Ų84.658%0.57842%0.415SS*.Hα-helixtrans-61.5-48.7176.2-174.4-175.4174.3-174.80111.3A25 M26 F27 I31 E32 D33A25-K29 PolarHBondContact O-N 3.12Å; A25-K29 VanDerWaalsContact O-N 3.14Å; M26-K29 WeakPolarHBondContact O-CB 3.36Å; M26-K29 PolarHBondContact O-N 2.94Å; F27-K29 VanDerWaalsContact C-N 3.32Å; F27-K29 PolarHBondContact O-N 3.29Å; K29-I31 PolarHBondContact O-N 3.04Å; K29-E32 PolarHBondContact O-N 3.42Å; K29-D33 PolarHBondContact O-N 3.4Å
30E91.7Very high82.4Confident10 Ų1083.7 Ų83.75%0.04741%0.411CS..Hα-helixtrans-63.2-30.3179.4-59-68169.800111.8M26 F27 L34 R91 S92 T95 I96M26-E30 WeakPolarHBondContact O-CG 3.37Å; M26-E30 PolarHBondContact O-N 3.02Å; M26-E30 VanDerWaalsContact O-N 3.07Å; F27-E30 PolarHBondContact O-N 2.81Å; E30-L34 PolarHBondContact O-N 3.02Å; E30-L34 VanDerWaalsContact O-N 3.12Å; E30-R91 IonicContact OE1-NE 3.46Å; E30-S92 WeakPolarHBondContact OE2-CA 3.33Å; E30-S92 WeakPolarHBondContact OE2-CB 3.32Å; E30-S92 PolarHBondContact OE2-OG 3.38Å; E30-T95 HydrophobicContact CG-CG2 4.09Å; E30-I96 HydrophobicContact CB-CD1 4.08Å; E30-I96 HydrophobicContact CB-CG1 4.22Å
31I92.3Very high84Confident49 Ų4985.3 Ų85.325%0.25142%0.416SS..Hα-helixtrans-67.3-43.1172.2-73.1173.3000111F27 F28 K29 D33 L34 K35 I96F27-I31 HydrophobicContact CD1-CD1 3.86Å; F27-I31 HydrophobicContact CE1-CD1 3.28Å; F27-I31 HydrophobicContact CE1-CG1 4.43Å; F27-I31 HydrophobicContact CE2-CD1 4.15Å; F27-I31 HydrophobicContact CZ-CD1 3.47Å; F27-I31 VanDerWaalsContact CZ-CD1 3.47Å; F27-I31 HydrophobicContact CZ-CG1 4.39Å; F27-I31 PolarHBondContact O-N 3.28Å; F27-I31 VanDerWaalsContact O-N 3.14Å; F28-I31 PolarHBondContact O-N 2.86Å; K29-I31 PolarHBondContact O-N 3.04Å; I31-D33 VanDerWaalsContact C-N 3.34Å; I31-L34 PolarHBondContact O-N 3.48Å; I31-K35 HydrophobicContact CG2-CD 3.96Å; I31-K35 HydrophobicContact CG2-CG 4.34Å; I31-K35 WeakPolarHBondContact O-CG 3.46Å; I31-K35 PolarHBondContact O-N 2.86Å; I31-I96 HydrophobicContact CB-CD1 4.45Å; I31-I96 HydrophobicContact CG1-CD1 3.64Å; I31-I96 HydrophobicContact CG1-CG1 4.11Å
32E92.1Very high85.6Confident95 Ų9580.2 Ų80.244%0.44440%0.4SS..Hα-helixtrans-66.7-40.1-179.5-150.762.5-156.200110.9F28 K29 L34 K35 E36F28-E32 PolarHBondContact O-N 3.36Å; K29-E32 PolarHBondContact O-N 3.42Å; E32-L34 VanDerWaalsContact C-N 3.32Å; E32-L34 PolarHBondContact O-N 2.58Å; E32-K35 VanDerWaalsContact CD-NZ 3.29Å; E32-K35 WeakPolarHBondContact O-CB 3.29Å; E32-K35 PolarHBondContact O-N 3.07Å; E32-K35 VanDerWaalsContact O-N 3.13Å; E32-K35 IonicContact OE1-NZ 3.39Å; E32-K35 PolarHBondContact OE1-NZ 2.96Å; E32-K35 IonicContact OE2-NZ 2.81Å; E32-K35 PolarHBondContact OE2-NZ 3.23Å; E32-E36 PolarHBondContact O-N 3.04Å
33D92.1Very high87Confident62 Ų6277.5 Ų77.533%0.33240%0.403SS..Hα-helixtrans-59.4-41.9173.5-65.4-16.8000111.1K29 I31 Y37K29-D33 PolarHBondContact O-N 3.4Å; I31-D33 VanDerWaalsContact C-N 3.34Å; D33-Y37 WeakPolarHBondContact O-CB 3.4Å; D33-Y37 PolarHBondContact O-N 2.81Å
34L92.8Very high88.4Confident18 Ų1878 Ų789%0.09440%0.4CS..Hα-helixtrans-66.1-41.5173-79.9-178.5000112.8E30 I31 E32 E36 Y37 F38 F80 I89 M93 I96E30-L34 PolarHBondContact O-N 3.02Å; E30-L34 VanDerWaalsContact O-N 3.12Å; I31-L34 PolarHBondContact O-N 3.48Å; E32-L34 VanDerWaalsContact C-N 3.32Å; E32-L34 PolarHBondContact O-N 2.58Å; L34-E36 VanDerWaalsContact C-N 3.31Å; L34-E36 PolarHBondContact O-N 3.5Å; L34-Y37 PolarHBondContact O-N 2.97Å; L34-F38 HydrophobicContact CD2-CD2 4.47Å; L34-F38 HydrophobicContact CD2-CE2 4.11Å; L34-F38 WeakPolarHBondContact O-CD2 3.42Å; L34-F38 PolarHBondContact O-N 3.31Å; L34-F80 HydrophobicContact CD1-CE1 4.45Å; L34-I89 HydrophobicContact CD2-CB 3.71Å; L34-I89 HydrophobicContact CD2-CD1 4.16Å; L34-I89 HydrophobicContact CD2-CG2 3.86Å; L34-M93 HydrophobicContact CD1-CG 4.33Å; L34-M93 HydrophobicContact CD2-CG 3.94Å; L34-I96 HydrophobicContact CD1-CD1 3.35Å; L34-I96 HydrophobicContact CG-CD1 4.25Å
35K93.3Very high89.4Confident67 Ų6777.2 Ų77.229%0.29140%0.402SS..Hα-helixtrans-62.3-42.1178.2-78.1172.165.5-144.90111I31 E32 N39 A40I31-K35 HydrophobicContact CG2-CD 3.96Å; I31-K35 HydrophobicContact CG2-CG 4.34Å; I31-K35 WeakPolarHBondContact O-CG 3.46Å; I31-K35 PolarHBondContact O-N 2.86Å; E32-K35 VanDerWaalsContact CD-NZ 3.29Å; E32-K35 WeakPolarHBondContact O-CB 3.29Å; E32-K35 PolarHBondContact O-N 3.07Å; E32-K35 VanDerWaalsContact O-N 3.13Å; E32-K35 IonicContact OE1-NZ 3.39Å; E32-K35 PolarHBondContact OE1-NZ 2.96Å; E32-K35 IonicContact OE2-NZ 2.81Å; E32-K35 PolarHBondContact OE2-NZ 3.23Å; K35-N39 CarbonylContact O-C 3.59Å; K35-N39 PolarHBondContact O-N 3.07Å; K35-N39 VanDerWaalsContact O-N 3.09Å; K35-A40 HydrophobicContact CB-CB 4.22Å; K35-A40 HydrophobicContact CG-CB 4.22Å; K35-A40 PolarHBondContact O-N 3.25Å
36E93.6Very high90Very high152 Ų15278.4 Ų78.471%0.7141%0.412SS*.Hα-helixtrans-62.5-48.1175.1-172.5175178.100110.7E32 L34 F38 N39E32-E36 PolarHBondContact O-N 3.04Å; L34-E36 VanDerWaalsContact C-N 3.31Å; L34-E36 PolarHBondContact O-N 3.5Å; E36-F38 PolarHBondContact O-N 3.01Å; E36-N39 PolarHBondContact O-N 3.46Å
37Y93.8Very high90.4Very high101 Ų10180.4 Ų80.440%0.39642%0.424SS..Hα-helixtrans-58.2-43.9179.4-177.9-94.2000113.4D33 L34 N39 N86 I88 I89D33-Y37 WeakPolarHBondContact O-CB 3.4Å; D33-Y37 PolarHBondContact O-N 2.81Å; L34-Y37 PolarHBondContact O-N 2.97Å; Y37-N39 VanDerWaalsContact C-N 3.27Å; Y37-N39 PolarHBondContact O-N 3.22Å; Y37-N86 PolarHBondContact OH-ND2 3.17Å; Y37-I88 HydrophobicContact CD2-CG2 4.18Å; Y37-I88 HydrophobicContact CE2-CB 4.49Å; Y37-I88 HydrophobicContact CE2-CD1 4.4Å; Y37-I88 HydrophobicContact CE2-CG2 4.33Å; Y37-I89 HydrophobicContact CD1-CD1 3.9Å; Y37-I89 HydrophobicContact CD1-CG2 3.68Å; Y37-I89 HydrophobicContact CD2-CG2 3.63Å; Y37-I89 HydrophobicContact CE1-CD1 3.83Å; Y37-I89 HydrophobicContact CE1-CG1 4.44Å; Y37-I89 HydrophobicContact CE1-CG2 4.28Å; Y37-I89 HydrophobicContact CE2-CG2 4.25Å; Y37-I89 HydrophobicContact CG-CG2 3.34Å
38F93.3Very high90.5Very high89 Ų8983 Ų8339%0.3946%0.461SS..THydrogen-bonded Turntrans-84.51.9179.3-77.2-73.4000113.8L34 E36 A40 F83 I89L34-F38 HydrophobicContact CD2-CD2 4.47Å; L34-F38 HydrophobicContact CD2-CE2 4.11Å; L34-F38 WeakPolarHBondContact O-CD2 3.42Å; L34-F38 PolarHBondContact O-N 3.31Å; E36-F38 PolarHBondContact O-N 3.01Å; F38-A40 HydrophobicContact CB-CB 4.4Å; F38-A40 PolarHBondContact O-N 3.49Å; F38-F83 AromaticContact CE1-CE1 3.95Å; F38-F83 HydrophobicContact CE1-CE1 3.95Å; F38-F83 AromaticContact CE1-CE2 3.89Å; F38-F83 HydrophobicContact CE1-CE2 3.89Å; F38-F83 AromaticContact CE1-CZ 3.57Å; F38-F83 HydrophobicContact CE1-CZ 3.57Å; F38-F83 HydrophobicContact CZ-CD1 4.29Å; F38-F83 AromaticContact CZ-CD2 3.95Å; F38-F83 HydrophobicContact CZ-CD2 3.95Å; F38-F83 HydrophobicContact CZ-CE1 4.07Å; F38-F83 AromaticContact CZ-CE2 3.74Å; F38-F83 HydrophobicContact CZ-CE2 3.74Å; F38-F83 HydrophobicContact CZ-CG 4.24Å; F38-F83 AromaticContact CZ-CZ 3.81Å; F38-F83 HydrophobicContact CZ-CZ 3.81Å; F38-I89 HydrophobicContact CE2-CD1 3.94Å; F38-I89 HydrophobicContact CZ-CD1 4.02Å
39N92.6Very high90.6Very high92 Ų9279.4 Ų79.449%0.49246%0.456SS..THydrogen-bonded Turntrans5433.2-173.2-147.95.8000112.9K35 E36 Y37 S41 N42K35-N39 CarbonylContact O-C 3.59Å; K35-N39 PolarHBondContact O-N 3.07Å; K35-N39 VanDerWaalsContact O-N 3.09Å; E36-N39 PolarHBondContact O-N 3.46Å; Y37-N39 VanDerWaalsContact C-N 3.27Å; Y37-N39 PolarHBondContact O-N 3.22Å; N39-S41 PolarHBondContact O-N 2.9Å; N39-S41 VanDerWaalsContact O-N 3.15Å; N39-N42 PolarHBondContact ND2-ND2 3.45Å; N39-N42 PolarHBondContact O-N 3.03Å; N39-N42 PolarHBondContact OD1-ND2 3.33Å; N39-N42 PolarHBondContact OD1-OD1 3.21Å
40A92.4Very high90.7Very high38 Ų3875.9 Ų75.931%0.31445%0.447SS..THydrogen-bonded Turntrans-74.9-1.1-170.900000113.8K35 F38K35-A40 HydrophobicContact CB-CB 4.22Å; K35-A40 HydrophobicContact CG-CB 4.22Å; K35-A40 PolarHBondContact O-N 3.25Å; F38-A40 HydrophobicContact CB-CB 4.4Å; F38-A40 PolarHBondContact O-N 3.49Å
41S89.7Confident90.7Very high76 Ų7681.7 Ų81.753%0.53148%0.478SS..THydrogen-bonded Turntrans-96.7-2.3177-62.70000112.9N39N39-S41 PolarHBondContact O-N 2.9Å; N39-S41 VanDerWaalsContact O-N 3.15Å
42N90.5Very high90.8Very high62 Ų6281.1 Ų81.133%0.33247%0.474SS..SBendtrans-69.5151.8176.2-77-18.7000112.1N39 D44 V45N39-N42 PolarHBondContact ND2-ND2 3.45Å; N39-N42 PolarHBondContact O-N 3.03Å; N39-N42 PolarHBondContact OD1-ND2 3.33Å; N39-N42 PolarHBondContact OD1-OD1 3.21Å; N42-D44 VanDerWaalsContact C-N 3.27Å; N42-D44 WeakPolarHBondContact CB-OD1 3.36Å; N42-D44 PolarHBondContact O-N 2.97Å; N42-V45 HydrophobicContact CB-CG2 4.35Å; N42-V45 WeakPolarHBondContact O-CB 3.46Å; N42-V45 PolarHBondContact O-N 2.76Å
43P86.6Confident90.8Very high114 Ų11481.7 Ų81.774%0.7448%0.479SS*.G310 helixtrans-61.1-30.8180-23.734.1000114.6V45 A46P43-V45 PolarHBondContact O-N 2.9Å; P43-A46 WeakPolarHBondContact O-CB 3.23Å; P43-A46 PolarHBondContact O-N 3.39Å; P43-A46 VanDerWaalsContact O-N 3.16Å
44D90Very high90.7Very high97 Ų9782.2 Ų82.252%0.51948%0.482SS..G310 helixtrans-65.4-22.7-179.565.3-34.7000112.9N42 A46 D47N42-D44 VanDerWaalsContact C-N 3.27Å; N42-D44 WeakPolarHBondContact CB-OD1 3.36Å; N42-D44 PolarHBondContact O-N 2.97Å; D44-A46 PolarHBondContact O-N 3.36Å; D44-D47 VanDerWaalsContact O-CB 3.25Å; D44-D47 WeakPolarHBondContact O-CB 3.35Å; D44-D47 PolarHBondContact O-N 3.48Å
45V88.9Confident90.7Very high80 Ų8085.1 Ų85.149%0.48550%0.497SS..G310 helixtrans-65.9-23.4176.2-178.80000111.9N42 P43 D47N42-V45 HydrophobicContact CB-CG2 4.35Å; N42-V45 WeakPolarHBondContact O-CB 3.46Å; N42-V45 PolarHBondContact O-N 2.76Å; P43-V45 PolarHBondContact O-N 2.9Å; V45-D47 VanDerWaalsContact C-N 3.29Å
46A85.1Confident90.6Very high75 Ų7584.1 Ų84.162%0.6249%0.494SS*.G310 helixtrans-79.5-12.3175.300000113.1P43 D44 G49P43-A46 WeakPolarHBondContact O-CB 3.23Å; P43-A46 PolarHBondContact O-N 3.39Å; P43-A46 VanDerWaalsContact O-N 3.16Å; D44-A46 PolarHBondContact O-N 3.36Å; A46-G49 PolarHBondContact O-N 3.25Å
47D88.4Confident90.5Very high128 Ų12883.7 Ų83.768%0.68449%0.49SS*.THydrogen-bonded Turntrans-67.1135.1180-67.2-21.7000110.6D44 V45 G49D44-D47 VanDerWaalsContact O-CB 3.25Å; D44-D47 WeakPolarHBondContact O-CB 3.35Å; D44-D47 PolarHBondContact O-N 3.48Å; V45-D47 VanDerWaalsContact C-N 3.29Å; D47-G49 VanDerWaalsContact C-N 3.28Å; D47-G49 PolarHBondContact O-N 3.32Å
48G85.1Confident90.4Very high90 Ų9084.8 Ų84.893%0.92850%0.503SS*.THydrogen-bonded Turntrans82.6-1.1-175.700000115
49G88.6Confident90.3Very high39 Ų3985.4 Ų85.440%0.40250%0.503SS..  trans79177.6175.800000114.1A46 D47A46-G49 PolarHBondContact O-N 3.25Å; D47-G49 VanDerWaalsContact C-N 3.28Å; D47-G49 PolarHBondContact O-N 3.32Å
50P91.2Very high90.1Very high59 Ų5992.5 Ų92.538%0.38352%0.522SS..  trans-76.2134.2-173.431.1-35000112.3F52 L53 D54P50-F52 PolarHBondContact O-N 3.48Å; P50-L53 HydrophobicContact CB-CB 3.92Å; P50-L53 HydrophobicContact CB-CD1 4.15Å; P50-L53 HydrophobicContact CB-CG 4.2Å; P50-L53 HydrophobicContact CG-CB 4.28Å; P50-D54 WeakPolarHBondContact CD-OD2 3.5Å; P50-D54 HydrophobicContact CG-CB 4.27Å; P50-D54 VanDerWaalsContact CG-CG 3.4Å; P50-D54 WeakPolarHBondContact CG-OD2 3.31Å
51L92.3Very high90Very high132 Ų13296.5 Ų96.569%0.69154%0.535SS*.SBendtrans-63.6-43.4-179.1-64.1177.2000114
52F94.4Very high89.9Confident38 Ų3898.5 Ų98.517%0.16754%0.536CS..SBendtrans-119.1-28.7-170.9-53.2-57.1000114P50 D54 I55 L56 I72 F75 Y76P50-F52 PolarHBondContact O-N 3.48Å; F52-D54 VanDerWaalsContact C-N 3.35Å; F52-D54 PolarHBondContact O-N 3.3Å; F52-I55 PolarHBondContact O-N 3.39Å; F52-L56 WeakPolarHBondContact O-CG 3.32Å; F52-L56 PolarHBondContact O-N 3.45Å; F52-I72 HydrophobicContact CB-CD1 4.03Å; F52-I72 HydrophobicContact CB-CG1 4.5Å; F52-I72 HydrophobicContact CD1-CD1 4.25Å; F52-I72 HydrophobicContact CD1-CG1 3.84Å; F52-I72 HydrophobicContact CD1-CG2 4.49Å; F52-I72 HydrophobicContact CD2-CG2 4.42Å; F52-I72 HydrophobicContact CE1-CG1 4.37Å; F52-I72 HydrophobicContact CG-CD1 4.31Å; F52-I72 HydrophobicContact CG-CG1 4.24Å; F52-I72 HydrophobicContact CG-CG2 4.32Å; F52-F75 HydrophobicContact CE1-CD1 4.45Å; F52-F75 HydrophobicContact CE2-CD1 4.21Å; F52-F75 HydrophobicContact CE2-CE1 4.22Å; F52-F75 AromaticContact CZ-CD1 3.54Å; F52-F75 HydrophobicContact CZ-CD1 3.54Å; F52-F75 AromaticContact CZ-CE1 3.65Å; F52-F75 HydrophobicContact CZ-CE1 3.65Å; F52-F75 HydrophobicContact CZ-CG 4.04Å; F52-F75 HydrophobicContact CZ-CZ 4.21Å; F52-Y76 HydrophobicContact CD2-CE2 4.23Å; F52-Y76 AromaticContact CE2-CE2 3.95Å; F52-Y76 HydrophobicContact CE2-CE2 3.95Å; F52-Y76 AromaticContact CE2-CZ 3.84Å
53L91.6Very high89.7Confident107 Ų10798 Ų9856%0.5654%0.537SS*.Hα-helixtrans-64.9-39.2-168.6-61177.4000112.2P50 L56 K57P50-L53 HydrophobicContact CB-CB 3.92Å; P50-L53 HydrophobicContact CB-CD1 4.15Å; P50-L53 HydrophobicContact CB-CG 4.2Å; P50-L53 HydrophobicContact CG-CB 4.28Å; L53-L56 PolarHBondContact O-N 3.14Å; L53-K57 VanDerWaalsContact O-CG 3.27Å; L53-K57 WeakPolarHBondContact O-CG 3.45Å; L53-K57 PolarHBondContact O-N 3.14Å; L53-K57 VanDerWaalsContact O-N 3.07Å
54D91.7Very high89.8Confident73 Ų7395.3 Ų95.339%0.3952%0.516SS..Hα-helixtrans-73.5-33.4179.7-69.4-15.6000112P50 F52 K57 N58P50-D54 WeakPolarHBondContact CD-OD2 3.5Å; P50-D54 HydrophobicContact CG-CB 4.27Å; P50-D54 VanDerWaalsContact CG-CG 3.4Å; P50-D54 WeakPolarHBondContact CG-OD2 3.31Å; F52-D54 VanDerWaalsContact C-N 3.35Å; F52-D54 PolarHBondContact O-N 3.3Å; D54-K57 PolarHBondContact O-N 3.13Å; D54-K57 IonicContact OD1-NZ 2.86Å; D54-K57 PolarHBondContact OD1-NZ 3.42Å; D54-N58 VanDerWaalsContact O-CG 3.3Å; D54-N58 PolarHBondContact O-ND2 2.81Å
55I92.4Very high89.9Confident78 Ų7894 Ų9440%0.451%0.506SS..Hα-helixtrans-63.4-49171.8-55.1176.9000109.5F52 K57 N58 W59 I68F52-I55 PolarHBondContact O-N 3.39Å; I55-K57 VanDerWaalsContact C-N 3.3Å; I55-K57 PolarHBondContact O-N 3.19Å; I55-N58 WeakPolarHBondContact O-CB 3.41Å; I55-N58 PolarHBondContact O-N 2.96Å; I55-N58 VanDerWaalsContact O-N 3.15Å; I55-W59 PolarHBondContact O-NE1 3.46Å; I55-I68 HydrophobicContact CG2-CG2 3.83Å
56L90.5Very high90Very high46 Ų4692.9 Ų92.924%0.24150%0.499CS..Hα-helixtrans-62.2-33.3-179-76.6172000113.3F52 L53 N58 I68 Q69 I72F52-L56 WeakPolarHBondContact O-CG 3.32Å; F52-L56 PolarHBondContact O-N 3.45Å; L53-L56 PolarHBondContact O-N 3.14Å; L56-N58 VanDerWaalsContact C-N 3.26Å; L56-N58 PolarHBondContact O-N 3.4Å; L56-I68 HydrophobicContact CD2-CG2 4.18Å; L56-Q69 HydrophobicContact CD2-CG 3.91Å; L56-I72 HydrophobicContact CD1-CD1 3.91Å; L56-I72 HydrophobicContact CD2-CD1 3.75Å; L56-I72 HydrophobicContact CG-CD1 3.76Å
57K91.3Very high90.3Very high143 Ų14394.2 Ų94.262%0.62250%0.495SS*.Hα-helixtrans-65.7-27.5176.8-75.1168.9-166.1161.60113.2L53 D54 I55 W59L53-K57 VanDerWaalsContact O-CG 3.27Å; L53-K57 WeakPolarHBondContact O-CG 3.45Å; L53-K57 PolarHBondContact O-N 3.14Å; L53-K57 VanDerWaalsContact O-N 3.07Å; D54-K57 PolarHBondContact O-N 3.13Å; D54-K57 IonicContact OD1-NZ 2.86Å; D54-K57 PolarHBondContact OD1-NZ 3.42Å; I55-K57 VanDerWaalsContact C-N 3.3Å; I55-K57 PolarHBondContact O-N 3.19Å; K57-W59 VanDerWaalsContact C-N 3.32Å; K57-W59 PolarHBondContact O-N 2.85Å
58N92Very high90.6Very high125 Ų12590 Ų9067%0.66847%0.472SS*.Hα-helixtrans-74.6-23.1-175.7-66.4-23.6000112.9D54 I55 L56D54-N58 VanDerWaalsContact O-CG 3.3Å; D54-N58 PolarHBondContact O-ND2 2.81Å; I55-N58 WeakPolarHBondContact O-CB 3.41Å; I55-N58 PolarHBondContact O-N 2.96Å; I55-N58 VanDerWaalsContact O-N 3.15Å; L56-N58 VanDerWaalsContact C-N 3.26Å; L56-N58 PolarHBondContact O-N 3.4Å
59W91.8Very high91Very high102 Ų10288.2 Ų88.239%0.38644%0.44SS..  trans-102.4108.5-174.6-53103.3000111.3I55 K57 D64 K65 I68I55-W59 PolarHBondContact O-NE1 3.46Å; K57-W59 VanDerWaalsContact C-N 3.32Å; K57-W59 PolarHBondContact O-N 2.85Å; W59-D64 HydrophobicContact CB-CB 4.35Å; W59-D64 HydrophobicContact CD2-CB 4.34Å; W59-D64 HydrophobicContact CE3-CB 3.74Å; W59-D64 HydrophobicContact CZ3-CB 4.46Å; W59-K65 HydrophobicContact CB-CB 4.44Å; W59-I68 HydrophobicContact CD2-CG1 4.35Å; W59-I68 HydrophobicContact CG-CG1 4.14Å; W59-I68 HydrophobicContact CZ2-CD1 4.46Å
60R88.1Confident91.3Very high240 Ų24087.8 Ų87.891%0.90643%0.43SS*.  trans-93.4-30.1179.7-63.3-175-178.2-173.60.7113.3
61E90.4Very high91.5Very high122 Ų12291 Ų9157%0.5744%0.44SS*.SBendtrans-75.7133.2178.6-159.4179.6148.100109.9S63 D64 K65E61-S63 VanDerWaalsContact C-N 3.25Å; E61-S63 VanDerWaalsContact CG-OG 3.22Å; E61-S63 WeakPolarHBondContact CG-OG 3.39Å; E61-S63 PolarHBondContact O-N 3.48Å; E61-S63 PolarHBondContact OE1-OG 3.03Å; E61-D64 HydrophobicContact CB-CB 4.35Å; E61-D64 PolarHBondContact O-N 3.4Å; E61-K65 VanDerWaalsContact O-CB 3.27Å; E61-K65 WeakPolarHBondContact O-CB 3.26Å; E61-K65 PolarHBondContact O-N 3.49Å
62E87Confident91.7Very high119 Ų11985.9 Ų85.956%0.55641%0.413SS*.Hα-helixtrans-61.4-36.3-178-171.362.1-156.800111.7K65 T66E62-K65 PolarHBondContact O-N 2.69Å; E62-T66 HydrophobicContact CG-CG2 4.32Å; E62-T66 WeakPolarHBondContact O-CB 3.03Å; E62-T66 WeakPolarHBondContact O-CG2 3.42Å; E62-T66 PolarHBondContact O-N 3.48Å; E62-T66 PolarHBondContact O-OG1 3.42Å
63S85.5Confident91.7Very high51 Ų5184.6 Ų84.636%0.35741%0.408SS..Hα-helixtrans-58.5-55175.256.50000111.3E61 K65 T66 I67E61-S63 VanDerWaalsContact C-N 3.25Å; E61-S63 VanDerWaalsContact CG-OG 3.22Å; E61-S63 WeakPolarHBondContact CG-OG 3.39Å; E61-S63 PolarHBondContact O-N 3.48Å; E61-S63 PolarHBondContact OE1-OG 3.03Å; S63-K65 VanDerWaalsContact C-N 3.33Å; S63-K65 PolarHBondContact O-N 3.39Å; S63-T66 PolarHBondContact O-N 3.05Å; S63-T66 PolarHBondContact O-OG1 3.44Å; S63-I67 WeakPolarHBondContact O-CG1 3.46Å; S63-I67 PolarHBondContact O-N 2.96Å
64D88.6Confident91.9Very high58 Ų5880.7 Ų80.731%0.3139%0.39SS..Hα-helixtrans-61.7-42.3177.6-67.4-20000111.8W59 E61 T66 I67 I68W59-D64 HydrophobicContact CB-CB 4.35Å; W59-D64 HydrophobicContact CD2-CB 4.34Å; W59-D64 HydrophobicContact CE3-CB 3.74Å; W59-D64 HydrophobicContact CZ3-CB 4.46Å; E61-D64 HydrophobicContact CB-CB 4.35Å; E61-D64 PolarHBondContact O-N 3.4Å; D64-T66 VanDerWaalsContact C-N 3.33Å; D64-T66 PolarHBondContact O-N 3.06Å; D64-I67 WeakPolarHBondContact O-CB 3.48Å; D64-I67 PolarHBondContact O-N 3.01Å; D64-I68 PolarHBondContact O-N 3.24Å
65K92.3Very high92.2Very high70 Ų7081.8 Ų81.830%0.30439%0.392SS..Hα-helixtrans-61.6-42.2178.8-169.2-177.4-178.5-173.20111.5W59 E61 E62 S63 I67 I68 Q69W59-K65 HydrophobicContact CB-CB 4.44Å; E61-K65 VanDerWaalsContact O-CB 3.27Å; E61-K65 WeakPolarHBondContact O-CB 3.26Å; E61-K65 PolarHBondContact O-N 3.49Å; E62-K65 PolarHBondContact O-N 2.69Å; S63-K65 VanDerWaalsContact C-N 3.33Å; S63-K65 PolarHBondContact O-N 3.39Å; K65-I67 VanDerWaalsContact C-N 3.3Å; K65-I67 PolarHBondContact O-N 3.39Å; K65-I68 PolarHBondContact O-N 2.8Å; K65-Q69 HydrophobicContact CG-CG 4.31Å; K65-Q69 WeakPolarHBondContact O-CB 3.47Å; K65-Q69 VanDerWaalsContact O-CG 3.26Å; K65-Q69 WeakPolarHBondContact O-CG 3.36Å; K65-Q69 PolarHBondContact O-N 2.99Å
66T91.8Very high92.3Very high55 Ų5581.8 Ų81.834%0.33739%0.387SS..Hα-helixtrans-64.1-33.9178.261.90000112.5E62 S63 D64 S70E62-T66 HydrophobicContact CG-CG2 4.32Å; E62-T66 WeakPolarHBondContact O-CB 3.03Å; E62-T66 WeakPolarHBondContact O-CG2 3.42Å; E62-T66 PolarHBondContact O-N 3.48Å; E62-T66 PolarHBondContact O-OG1 3.42Å; S63-T66 PolarHBondContact O-N 3.05Å; S63-T66 PolarHBondContact O-OG1 3.44Å; D64-T66 VanDerWaalsContact C-N 3.33Å; D64-T66 PolarHBondContact O-N 3.06Å; T66-S70 VanDerWaalsContact O-CB 3.31Å; T66-S70 WeakPolarHBondContact O-CB 3.46Å; T66-S70 PolarHBondContact O-N 2.84Å
67I92.2Very high92.5Very high103 Ų10379.9 Ų79.953%0.52838%0.377SS..Hα-helixtrans-63.6-47.3175.3-64.7168.1000110.2S63 D64 K65 S70 Q71S63-I67 WeakPolarHBondContact O-CG1 3.46Å; S63-I67 PolarHBondContact O-N 2.96Å; D64-I67 WeakPolarHBondContact O-CB 3.48Å; D64-I67 PolarHBondContact O-N 3.01Å; K65-I67 VanDerWaalsContact C-N 3.3Å; K65-I67 PolarHBondContact O-N 3.39Å; I67-S70 WeakPolarHBondContact O-CB 3.36Å; I67-S70 PolarHBondContact O-N 3.26Å; I67-Q71 PolarHBondContact O-N 2.86Å
68I94.5Very high92.7Very high39 Ų3979.9 Ų79.920%0.238%0.377CS..Hα-helixtrans-68.9-43.1-179.9-60.8-62.3000111.2I55 L56 W59 D64 K65 S70 Q71 I72I55-I68 HydrophobicContact CG2-CG2 3.83Å; L56-I68 HydrophobicContact CD2-CG2 4.18Å; W59-I68 HydrophobicContact CD2-CG1 4.35Å; W59-I68 HydrophobicContact CG-CG1 4.14Å; W59-I68 HydrophobicContact CZ2-CD1 4.46Å; D64-I68 PolarHBondContact O-N 3.24Å; K65-I68 PolarHBondContact O-N 2.8Å; I68-S70 VanDerWaalsContact C-N 3.28Å; I68-S70 PolarHBondContact O-N 3.05Å; I68-Q71 PolarHBondContact O-N 3.49Å; I68-Q71 VanDerWaalsContact O-N 3.13Å; I68-I72 HydrophobicContact CG2-CD1 3.98Å; I68-I72 WeakPolarHBondContact O-CG1 3.47Å; I68-I72 PolarHBondContact O-N 3.31Å
69Q94Very high92.8Very high54 Ų5476.6 Ų76.625%0.25236%0.359SS..Hα-helixtrans-60.1-37.9175.2-74.6175.9-26.100112L56 K65 Q71 I72 V73 F104L56-Q69 HydrophobicContact CD2-CG 3.91Å; K65-Q69 HydrophobicContact CG-CG 4.31Å; K65-Q69 WeakPolarHBondContact O-CB 3.47Å; K65-Q69 VanDerWaalsContact O-CG 3.26Å; K65-Q69 WeakPolarHBondContact O-CG 3.36Å; K65-Q69 PolarHBondContact O-N 2.99Å; Q69-Q71 VanDerWaalsContact C-N 3.27Å; Q69-Q71 PolarHBondContact O-N 3.04Å; Q69-I72 PolarHBondContact O-N 3.47Å; Q69-I72 VanDerWaalsContact O-N 3.16Å; Q69-V73 VanDerWaalsContact O-CG2 3.31Å; Q69-V73 WeakPolarHBondContact O-CG2 3.43Å; Q69-V73 PolarHBondContact O-N 3.12Å; Q69-F104 HydrophobicContact CB-CD2 4.32Å; Q69-F104 HydrophobicContact CB-CE2 3.8Å
70S94.8Very high92.9Very high30 Ų3072.8 Ų72.821%0.2135%0.346CS..Hα-helixtrans-56-41174.4-174.30000112.3T66 I67 I68 S74 F115T66-S70 VanDerWaalsContact O-CB 3.31Å; T66-S70 WeakPolarHBondContact O-CB 3.46Å; T66-S70 PolarHBondContact O-N 2.84Å; I67-S70 WeakPolarHBondContact O-CB 3.36Å; I67-S70 PolarHBondContact O-N 3.26Å; I68-S70 VanDerWaalsContact C-N 3.28Å; I68-S70 PolarHBondContact O-N 3.05Å; S70-S74 WeakPolarHBondContact O-CB 3.34Å; S70-S74 PolarHBondContact O-N 3.16Å; S70-S74 PolarHBondContact O-OG 3.47Å; S70-F115 WeakPolarHBondContact OG-CE2 3.39Å
71Q95.1Very high93.1Very high127 Ų12765.6 Ų65.659%0.59332%0.322SS*.Hα-helixtrans-70.7-40.7176.3-62.1-55.7-4300112.3I67 I68 Q69 S74 F75I67-Q71 PolarHBondContact O-N 2.86Å; I68-Q71 PolarHBondContact O-N 3.49Å; I68-Q71 VanDerWaalsContact O-N 3.13Å; Q69-Q71 VanDerWaalsContact C-N 3.27Å; Q69-Q71 PolarHBondContact O-N 3.04Å; Q71-S74 WeakPolarHBondContact O-CB 3.32Å; Q71-S74 PolarHBondContact O-N 2.99Å; Q71-F75 PolarHBondContact O-N 3.28Å
72I95.4Very high93.3Very high24 Ų2465.4 Ų65.412%0.12333%0.325CS..Hα-helixtrans-64-43.8177.2-65.4166.8000110.9F52 L56 I68 Q69 S74 F75 Y76F52-I72 HydrophobicContact CB-CD1 4.03Å; F52-I72 HydrophobicContact CB-CG1 4.5Å; F52-I72 HydrophobicContact CD1-CD1 4.25Å; F52-I72 HydrophobicContact CD1-CG1 3.84Å; F52-I72 HydrophobicContact CD1-CG2 4.49Å; F52-I72 HydrophobicContact CD2-CG2 4.42Å; F52-I72 HydrophobicContact CE1-CG1 4.37Å; F52-I72 HydrophobicContact CG-CD1 4.31Å; F52-I72 HydrophobicContact CG-CG1 4.24Å; F52-I72 HydrophobicContact CG-CG2 4.32Å; L56-I72 HydrophobicContact CD1-CD1 3.91Å; L56-I72 HydrophobicContact CD2-CD1 3.75Å; L56-I72 HydrophobicContact CG-CD1 3.76Å; I68-I72 HydrophobicContact CG2-CD1 3.98Å; I68-I72 WeakPolarHBondContact O-CG1 3.47Å; I68-I72 PolarHBondContact O-N 3.31Å; Q69-I72 PolarHBondContact O-N 3.47Å; Q69-I72 VanDerWaalsContact O-N 3.16Å; I72-S74 VanDerWaalsContact C-N 3.35Å; I72-S74 PolarHBondContact O-N 3.37Å; I72-F75 WeakPolarHBondContact O-CB 3.4Å; I72-F75 PolarHBondContact O-N 2.94Å; I72-Y76 HydrophobicContact CG2-CD2 3.8Å; I72-Y76 HydrophobicContact CG2-CE2 3.64Å; I72-Y76 VanDerWaalsContact O-CD2 3.32Å; I72-Y76 WeakPolarHBondContact O-CD2 3.16Å; I72-Y76 PolarHBondContact O-N 3.27Å
73V95.7Very high93.5Very high10 Ų1062.8 Ų62.86%0.06131%0.312CS..Hα-helixtrans-60.3-46.8175171.80000110Q69 F75 Y76 L77 M100 L101 F104 F115Q69-V73 VanDerWaalsContact O-CG2 3.31Å; Q69-V73 WeakPolarHBondContact O-CG2 3.43Å; Q69-V73 PolarHBondContact O-N 3.12Å; V73-F75 VanDerWaalsContact C-N 3.27Å; V73-F75 PolarHBondContact O-N 3.45Å; V73-Y76 PolarHBondContact O-N 3.04Å; V73-L77 HydrophobicContact CG1-CD1 4.31Å; V73-L77 HydrophobicContact CG1-CG 4.43Å; V73-L77 WeakPolarHBondContact O-CG 3.48Å; V73-L77 PolarHBondContact O-N 3.14Å; V73-M100 HydrophobicContact CB-SD 4.31Å; V73-M100 HydrophobicContact CG1-CG 4.43Å; V73-M100 HydrophobicContact CG1-SD 4.08Å; V73-M100 HydrophobicContact CG2-CG 4.13Å; V73-M100 HydrophobicContact CG2-SD 4.05Å; V73-L101 HydrophobicContact CG1-CD2 4.41Å; V73-F104 HydrophobicContact CG2-CB 4.35Å; V73-F104 HydrophobicContact CG2-CD1 4.42Å; V73-F104 HydrophobicContact CG2-CD2 4.1Å; V73-F104 HydrophobicContact CG2-CG 4.03Å; V73-F115 HydrophobicContact CB-CZ 4.34Å; V73-F115 HydrophobicContact CG1-CE1 3.97Å; V73-F115 HydrophobicContact CG1-CZ 3.93Å
74S95.6Very high93.7Very high25 Ų2566.6 Ų66.618%0.17532%0.322CS..Hα-helixtrans-57.9-40176.3-58.30000112.2S70 Q71 I72 L77 K78 F115S70-S74 WeakPolarHBondContact O-CB 3.34Å; S70-S74 PolarHBondContact O-N 3.16Å; S70-S74 PolarHBondContact O-OG 3.47Å; Q71-S74 WeakPolarHBondContact O-CB 3.32Å; Q71-S74 PolarHBondContact O-N 2.99Å; I72-S74 VanDerWaalsContact C-N 3.35Å; I72-S74 PolarHBondContact O-N 3.37Å; S74-L77 PolarHBondContact O-N 2.89Å; S74-K78 PolarHBondContact O-N 3.29Å; S74-F115 WeakPolarHBondContact OG-CZ 3.4Å
75F96.5Very high93.9Very high97 Ų9770.2 Ų70.243%0.42534%0.341SS..Hα-helixtrans-61.6-50.2176.2176.6-86.1000111.9F52 Q71 I72 V73 L77 K78 L79F52-F75 HydrophobicContact CE1-CD1 4.45Å; F52-F75 HydrophobicContact CE2-CD1 4.21Å; F52-F75 HydrophobicContact CE2-CE1 4.22Å; F52-F75 AromaticContact CZ-CD1 3.54Å; F52-F75 HydrophobicContact CZ-CD1 3.54Å; F52-F75 AromaticContact CZ-CE1 3.65Å; F52-F75 HydrophobicContact CZ-CE1 3.65Å; F52-F75 HydrophobicContact CZ-CG 4.04Å; F52-F75 HydrophobicContact CZ-CZ 4.21Å; Q71-F75 PolarHBondContact O-N 3.28Å; I72-F75 WeakPolarHBondContact O-CB 3.4Å; I72-F75 PolarHBondContact O-N 2.94Å; V73-F75 VanDerWaalsContact C-N 3.27Å; V73-F75 PolarHBondContact O-N 3.45Å; F75-L77 VanDerWaalsContact C-N 3.34Å; F75-L77 PolarHBondContact O-N 3.5Å; F75-K78 PolarHBondContact O-N 2.93Å; F75-L79 HydrophobicContact CE1-CD2 4.42Å; F75-L79 WeakPolarHBondContact O-CB 3.16Å; F75-L79 PolarHBondContact O-N 3.41Å
76Y95.9Very high93.8Very high77 Ų7768.2 Ų68.230%0.30233%0.334SS..Hα-helixtrans-64.3-37.9179.3-80.8-68.7000112.5F52 I72 V73 K78 L79 F80 M100F52-Y76 HydrophobicContact CD2-CE2 4.23Å; F52-Y76 AromaticContact CE2-CE2 3.95Å; F52-Y76 HydrophobicContact CE2-CE2 3.95Å; F52-Y76 AromaticContact CE2-CZ 3.84Å; I72-Y76 HydrophobicContact CG2-CD2 3.8Å; I72-Y76 HydrophobicContact CG2-CE2 3.64Å; I72-Y76 VanDerWaalsContact O-CD2 3.32Å; I72-Y76 WeakPolarHBondContact O-CD2 3.16Å; I72-Y76 PolarHBondContact O-N 3.27Å; V73-Y76 PolarHBondContact O-N 3.04Å; Y76-K78 VanDerWaalsContact C-N 3.33Å; Y76-K78 PolarHBondContact O-N 3.37Å; Y76-L79 HydrophobicContact CD1-CD2 4.17Å; Y76-L79 HydrophobicContact CE1-CD2 4.47Å; Y76-L79 WeakPolarHBondContact O-CB 3.12Å; Y76-L79 PolarHBondContact O-N 3.22Å; Y76-F80 HydrophobicContact CD1-CZ 4.33Å; Y76-F80 WeakPolarHBondContact O-CD2 3.49Å; Y76-F80 VanDerWaalsContact O-CG 3.23Å; Y76-F80 WeakPolarHBondContact O-CG 3.38Å; Y76-F80 PolarHBondContact O-N 3.42Å; Y76-M100 HydrophobicContact CD2-CE 3.83Å; Y76-M100 HydrophobicContact CG-CE 3.93Å
77L94.9Very high93.8Very high6 Ų673.5 Ų73.53%0.03136%0.355CS..Hα-helixtrans-60-45.1174-68.5-178.4000111.6V73 S74 F75 L79 F80 E81 K97 L101 F115 L116 I119V73-L77 HydrophobicContact CG1-CD1 4.31Å; V73-L77 HydrophobicContact CG1-CG 4.43Å; V73-L77 WeakPolarHBondContact O-CG 3.48Å; V73-L77 PolarHBondContact O-N 3.14Å; S74-L77 PolarHBondContact O-N 2.89Å; F75-L77 VanDerWaalsContact C-N 3.34Å; F75-L77 PolarHBondContact O-N 3.5Å; L77-L79 VanDerWaalsContact C-N 3.35Å; L77-F80 PolarHBondContact O-N 3.5Å; L77-E81 WeakPolarHBondContact O-CG 3.15Å; L77-E81 PolarHBondContact O-N 3.33Å; L77-K97 HydrophobicContact CD2-CD 4.02Å; L77-K97 HydrophobicContact CD2-CG 3.7Å; L77-L101 HydrophobicContact CD1-CD2 4.27Å; L77-F115 HydrophobicContact CD1-CE1 3.7Å; L77-L116 HydrophobicContact CD1-CD2 4Å; L77-I119 HydrophobicContact CB-CD1 4.49Å; L77-I119 HydrophobicContact CD1-CD1 3.62Å
78K94.7Very high93.7Very high144 Ų14474.9 Ų74.963%0.62636%0.362SS*.Hα-helixtrans-65.2-38.7176.4-171.4176.7-177.3179.20112S74 F75 Y76 E81 N82S74-K78 PolarHBondContact O-N 3.29Å; F75-K78 PolarHBondContact O-N 2.93Å; Y76-K78 VanDerWaalsContact C-N 3.33Å; Y76-K78 PolarHBondContact O-N 3.37Å; K78-E81 PolarHBondContact O-N 2.91Å; K78-N82 PolarHBondContact O-N 2.68Å
79L94.5Very high93.6Very high55 Ų5573.2 Ų73.229%0.28835%0.354SS..Hα-helixtrans-59.8-49.7174.7-178.866.5000110.6F75 Y76 L77 E81 N82 F83F75-L79 HydrophobicContact CE1-CD2 4.42Å; F75-L79 WeakPolarHBondContact O-CB 3.16Å; F75-L79 PolarHBondContact O-N 3.41Å; Y76-L79 HydrophobicContact CD1-CD2 4.17Å; Y76-L79 HydrophobicContact CE1-CD2 4.47Å; Y76-L79 WeakPolarHBondContact O-CB 3.12Å; Y76-L79 PolarHBondContact O-N 3.22Å; L77-L79 VanDerWaalsContact C-N 3.35Å; L79-E81 VanDerWaalsContact C-N 3.33Å; L79-E81 PolarHBondContact O-N 3.06Å; L79-N82 WeakPolarHBondContact O-CB 3.32Å; L79-N82 PolarHBondContact O-N 3.14Å; L79-N82 VanDerWaalsContact O-N 3.17Å; L79-F83 HydrophobicContact CD1-CE2 3.9Å; L79-F83 HydrophobicContact CG-CE2 4.48Å; L79-F83 VanDerWaalsContact O-CD2 3.26Å; L79-F83 WeakPolarHBondContact O-CD2 3.29Å
80F94.2Very high93.5Very high23 Ų2374.6 Ų74.610%0.10136%0.36CS..Hα-helixtrans-65.7-33.6179.4-61.5-22.8000112.8L34 Y76 L77 N82 F83 K84 M93 I96 K97L34-F80 HydrophobicContact CD1-CE1 4.45Å; Y76-F80 HydrophobicContact CD1-CZ 4.33Å; Y76-F80 WeakPolarHBondContact O-CD2 3.49Å; Y76-F80 VanDerWaalsContact O-CG 3.23Å; Y76-F80 WeakPolarHBondContact O-CG 3.38Å; Y76-F80 PolarHBondContact O-N 3.42Å; L77-F80 PolarHBondContact O-N 3.5Å; F80-N82 PolarHBondContact O-N 2.95Å; F80-F83 CarbonylContact O-C 3.57Å; F80-F83 PolarHBondContact O-N 3.43Å; F80-F83 VanDerWaalsContact O-N 3.08Å; F80-K84 PolarHBondContact O-N 2.7Å; F80-M93 HydrophobicContact CB-SD 4.13Å; F80-M93 HydrophobicContact CD1-CB 4.34Å; F80-M93 HydrophobicContact CD1-CG 3.84Å; F80-M93 HydrophobicContact CD1-SD 3.81Å; F80-M93 HydrophobicContact CE1-CG 4.17Å; F80-M93 HydrophobicContact CG-CB 4.27Å; F80-M93 HydrophobicContact CG-CG 4.24Å; F80-M93 HydrophobicContact CG-SD 4.21Å; F80-I96 HydrophobicContact CE2-CG2 4.14Å; F80-I96 HydrophobicContact CZ-CG2 4.02Å; F80-K97 HydrophobicContact CD2-CB 4.11Å; F80-K97 HydrophobicContact CE2-CB 4.3Å
81E91.9Very high93.4Very high89 Ų8980.9 Ų80.942%0.41638%0.379SS..Hα-helixtrans-60.2-32.4173.9-79.6-177.7174.700112.9L77 K78 L79 F83 K84L77-E81 WeakPolarHBondContact O-CG 3.15Å; L77-E81 PolarHBondContact O-N 3.33Å; K78-E81 PolarHBondContact O-N 2.91Å; L79-E81 VanDerWaalsContact C-N 3.33Å; L79-E81 PolarHBondContact O-N 3.06Å; E81-F83 PolarHBondContact O-N 2.7Å; E81-K84 WeakPolarHBondContact O-CG 3.47Å; E81-K84 PolarHBondContact O-N 3.27Å
82N93.6Very high93.2Very high117 Ų11775.2 Ų75.263%0.62635%0.353SS*.Hα-helixtrans-69.6-21.1176.7-65.5-22.8000113.3K78 L79 F80K78-N82 PolarHBondContact O-N 2.68Å; L79-N82 WeakPolarHBondContact O-CB 3.32Å; L79-N82 PolarHBondContact O-N 3.14Å; L79-N82 VanDerWaalsContact O-N 3.17Å; F80-N82 PolarHBondContact O-N 2.95Å
83F92.8Very high93.1Very high65 Ų6574.4 Ų74.429%0.28535%0.349SS..THydrogen-bonded Turntrans-111.212.5-178.8-64.1-78.6000113F38 L79 F80 E81 D85 N86 I89 M93F38-F83 AromaticContact CE1-CE1 3.95Å; F38-F83 HydrophobicContact CE1-CE1 3.95Å; F38-F83 AromaticContact CE1-CE2 3.89Å; F38-F83 HydrophobicContact CE1-CE2 3.89Å; F38-F83 AromaticContact CE1-CZ 3.57Å; F38-F83 HydrophobicContact CE1-CZ 3.57Å; F38-F83 HydrophobicContact CZ-CD1 4.29Å; F38-F83 AromaticContact CZ-CD2 3.95Å; F38-F83 HydrophobicContact CZ-CD2 3.95Å; F38-F83 HydrophobicContact CZ-CE1 4.07Å; F38-F83 AromaticContact CZ-CE2 3.74Å; F38-F83 HydrophobicContact CZ-CE2 3.74Å; F38-F83 HydrophobicContact CZ-CG 4.24Å; F38-F83 AromaticContact CZ-CZ 3.81Å; F38-F83 HydrophobicContact CZ-CZ 3.81Å; L79-F83 HydrophobicContact CD1-CE2 3.9Å; L79-F83 HydrophobicContact CG-CE2 4.48Å; L79-F83 VanDerWaalsContact O-CD2 3.26Å; L79-F83 WeakPolarHBondContact O-CD2 3.29Å; F80-F83 CarbonylContact O-C 3.57Å; F80-F83 PolarHBondContact O-N 3.43Å; F80-F83 VanDerWaalsContact O-N 3.08Å; E81-F83 PolarHBondContact O-N 2.7Å; F83-D85 PolarHBondContact O-N 3.08Å; F83-N86 VanDerWaalsContact O-CB 3.26Å; F83-N86 WeakPolarHBondContact O-CB 3.26Å; F83-N86 PolarHBondContact O-N 2.86Å; F83-I89 HydrophobicContact CB-CD1 4.06Å; F83-I89 HydrophobicContact CG-CD1 4.35Å; F83-M93 HydrophobicContact CB-CE 3.87Å; F83-M93 HydrophobicContact CB-SD 3.77Å; F83-M93 WeakPolarHBondContact O-CE 3.44Å
84K89.6Confident92.9Very high130 Ų13077.9 Ų77.957%0.56537%0.367SS*.THydrogen-bonded Turntrans-54.4-28-176.170-177-176.8178.50114.6F80 E81 N86F80-K84 PolarHBondContact O-N 2.7Å; E81-K84 WeakPolarHBondContact O-CG 3.47Å; E81-K84 PolarHBondContact O-N 3.27Å; K84-N86 VanDerWaalsContact C-N 3.33Å
85D91.5Very high92.7Very high134 Ų13478.8 Ų78.872%0.71737%0.372SS*.THydrogen-bonded Turntrans-88.6-3.4-177.5-56.6-46.8000112.3F83 Q87F83-D85 PolarHBondContact O-N 3.08Å; D85-Q87 PolarHBondContact O-N 2.91Å
86N91.6Very high92.5Very high29 Ų2974.6 Ų74.616%0.15535%0.354CS..  trans-88.297.9-179.6-171.9-19.3000111.8Y37 F83 K84 I88 I89 Q90Y37-N86 PolarHBondContact OH-ND2 3.17Å; F83-N86 VanDerWaalsContact O-CB 3.26Å; F83-N86 WeakPolarHBondContact O-CB 3.26Å; F83-N86 PolarHBondContact O-N 2.86Å; K84-N86 VanDerWaalsContact C-N 3.33Å; N86-I88 PolarHBondContact O-N 3.43Å; N86-I88 WeakPolarHBondContact OD1-CB 3.46Å; N86-I88 PolarHBondContact OD1-N 2.91Å; N86-I88 VanDerWaalsContact OD1-N 3.14Å; N86-I89 HydrophobicContact CB-CD1 4.45Å; N86-I89 HydrophobicContact CB-CG1 3.97Å; N86-I89 PolarHBondContact O-N 3.25Å; N86-Q90 WeakPolarHBondContact O-CB 3.31Å; N86-Q90 PolarHBondContact O-N 3.07Å
87Q91.1Very high92.4Very high166 Ų16673.6 Ų73.678%0.77635%0.351SS*.Hα-helixtrans-62-24.8-177.1-64.1-179.1-2.300114.2D85D85-Q87 PolarHBondContact O-N 2.91Å
88I90.8Very high92.2Very high132 Ų13277.2 Ų77.268%0.67737%0.368SS*.Hα-helixtrans-66.7-45.5-176.4-59.7173000110.2Y37 N86Y37-I88 HydrophobicContact CD2-CG2 4.18Å; Y37-I88 HydrophobicContact CE2-CB 4.49Å; Y37-I88 HydrophobicContact CE2-CD1 4.4Å; Y37-I88 HydrophobicContact CE2-CG2 4.33Å; N86-I88 PolarHBondContact O-N 3.43Å; N86-I88 WeakPolarHBondContact OD1-CB 3.46Å; N86-I88 PolarHBondContact OD1-N 2.91Å; N86-I88 VanDerWaalsContact OD1-N 3.14Å
89I92.3Very high92Very high4 Ų471.9 Ų71.92%0.02135%0.346CS..Hα-helixtrans-104.7-2.2-175.154.4163.6000113.6L34 Y37 F38 F83 N86 R91 S92 M93L34-I89 HydrophobicContact CD2-CB 3.71Å; L34-I89 HydrophobicContact CD2-CD1 4.16Å; L34-I89 HydrophobicContact CD2-CG2 3.86Å; Y37-I89 HydrophobicContact CD1-CD1 3.9Å; Y37-I89 HydrophobicContact CD1-CG2 3.68Å; Y37-I89 HydrophobicContact CD2-CG2 3.63Å; Y37-I89 HydrophobicContact CE1-CD1 3.83Å; Y37-I89 HydrophobicContact CE1-CG1 4.44Å; Y37-I89 HydrophobicContact CE1-CG2 4.28Å; Y37-I89 HydrophobicContact CE2-CG2 4.25Å; Y37-I89 HydrophobicContact CG-CG2 3.34Å; F38-I89 HydrophobicContact CE2-CD1 3.94Å; F38-I89 HydrophobicContact CZ-CD1 4.02Å; F83-I89 HydrophobicContact CB-CD1 4.06Å; F83-I89 HydrophobicContact CG-CD1 4.35Å; N86-I89 HydrophobicContact CB-CD1 4.45Å; N86-I89 HydrophobicContact CB-CG1 3.97Å; N86-I89 PolarHBondContact O-N 3.25Å; I89-R91 VanDerWaalsContact C-N 3.32Å; I89-R91 PolarHBondContact O-N 3.07Å; I89-S92 PolarHBondContact O-N 3.47Å; I89-M93 HydrophobicContact CB-CE 4.4Å; I89-M93 HydrophobicContact CD1-CE 3.82Å; I89-M93 HydrophobicContact CD1-CG 4.44Å; I89-M93 HydrophobicContact CD1-SD 3.78Å; I89-M93 HydrophobicContact CG1-CE 3.69Å; I89-M93 HydrophobicContact CG1-SD 4.25Å; I89-M93 WeakPolarHBondContact O-CG 3.45Å; I89-M93 PolarHBondContact O-N 3.37Å
90Q92.3Very high91.9Very high82 Ų8271.2 Ų71.238%0.38334%0.342SS..Hα-helixtrans-55-47.3-176.5-175.3172.518.600112.1N86 S92 M93 D94N86-Q90 WeakPolarHBondContact O-CB 3.31Å; N86-Q90 PolarHBondContact O-N 3.07Å; Q90-S92 VanDerWaalsContact C-N 3.35Å; Q90-S92 PolarHBondContact O-N 3.13Å; Q90-M93 PolarHBondContact O-N 3.37Å; Q90-D94 WeakPolarHBondContact O-CB 3.49Å; Q90-D94 PolarHBondContact O-N 3.41Å
91R91.1Very high91.8Very high162 Ų16270.1 Ų70.161%0.61134%0.337SS*.Hα-helixtrans-58.9-46179178.7-177173.3157.15.8112.2E30 I89 D94 T95E30-R91 IonicContact OE1-NE 3.46Å; I89-R91 VanDerWaalsContact C-N 3.32Å; I89-R91 PolarHBondContact O-N 3.07Å; R91-D94 PolarHBondContact O-N 3.38Å; R91-T95 WeakPolarHBondContact O-CB 3.4Å; R91-T95 PolarHBondContact O-N 3.4Å; R91-T95 PolarHBondContact O-OG1 2.99Å
92S91.4Very high91.8Very high8 Ų868 Ų686%0.05633%0.331CS..Hα-helixtrans-66-45.3-179.3-48.60000111E30 I89 Q90 T95 I96E30-S92 WeakPolarHBondContact OE2-CA 3.33Å; E30-S92 WeakPolarHBondContact OE2-CB 3.32Å; E30-S92 PolarHBondContact OE2-OG 3.38Å; I89-S92 PolarHBondContact O-N 3.47Å; Q90-S92 VanDerWaalsContact C-N 3.35Å; Q90-S92 PolarHBondContact O-N 3.13Å; S92-T95 PolarHBondContact O-N 3.36Å; S92-I96 WeakPolarHBondContact O-CB 3.14Å; S92-I96 WeakPolarHBondContact O-CD1 3.27Å; S92-I96 VanDerWaalsContact O-CG1 3.31Å; S92-I96 WeakPolarHBondContact O-CG1 3.45Å; S92-I96 PolarHBondContact O-N 3.16Å
93M93.5Very high91.6Very high7 Ų769.5 Ų69.53%0.03433%0.327CS..Hα-helixtrans-61.3-45.3175.5-70.9-172.2-62.300112.3L34 F80 F83 I89 Q90 T95 I96 K97L34-M93 HydrophobicContact CD1-CG 4.33Å; L34-M93 HydrophobicContact CD2-CG 3.94Å; F80-M93 HydrophobicContact CB-SD 4.13Å; F80-M93 HydrophobicContact CD1-CB 4.34Å; F80-M93 HydrophobicContact CD1-CG 3.84Å; F80-M93 HydrophobicContact CD1-SD 3.81Å; F80-M93 HydrophobicContact CE1-CG 4.17Å; F80-M93 HydrophobicContact CG-CB 4.27Å; F80-M93 HydrophobicContact CG-CG 4.24Å; F80-M93 HydrophobicContact CG-SD 4.21Å; F83-M93 HydrophobicContact CB-CE 3.87Å; F83-M93 HydrophobicContact CB-SD 3.77Å; F83-M93 WeakPolarHBondContact O-CE 3.44Å; I89-M93 HydrophobicContact CB-CE 4.4Å; I89-M93 HydrophobicContact CD1-CE 3.82Å; I89-M93 HydrophobicContact CD1-CG 4.44Å; I89-M93 HydrophobicContact CD1-SD 3.78Å; I89-M93 HydrophobicContact CG1-CE 3.69Å; I89-M93 HydrophobicContact CG1-SD 4.25Å; I89-M93 WeakPolarHBondContact O-CG 3.45Å; I89-M93 PolarHBondContact O-N 3.37Å; Q90-M93 PolarHBondContact O-N 3.37Å; M93-T95 VanDerWaalsContact C-N 3.34Å; M93-T95 PolarHBondContact O-N 3.39Å; M93-I96 PolarHBondContact O-N 3Å; M93-K97 WeakPolarHBondContact O-CB 3.4Å; M93-K97 PolarHBondContact O-N 2.85Å
94D91.6Very high91.6Very high83 Ų8369.1 Ų69.144%0.44433%0.326SS..Hα-helixtrans-64.8-40.1-179.5-77.1-26.5000111.5Q90 R91 E98Q90-D94 WeakPolarHBondContact O-CB 3.49Å; Q90-D94 PolarHBondContact O-N 3.41Å; R91-D94 PolarHBondContact O-N 3.38Å; D94-E98 WeakPolarHBondContact O-CB 3.08Å; D94-E98 PolarHBondContact O-N 2.94Å
95T91.3Very high91.7Very high44 Ų4463.7 Ų63.727%0.2730%0.302SS..Hα-helixtrans-66.2-47.1177.9-59.90000111.3E30 R91 S92 M93 E98 D99E30-T95 HydrophobicContact CG-CG2 4.09Å; R91-T95 WeakPolarHBondContact O-CB 3.4Å; R91-T95 PolarHBondContact O-N 3.4Å; R91-T95 PolarHBondContact O-OG1 2.99Å; S92-T95 PolarHBondContact O-N 3.36Å; M93-T95 VanDerWaalsContact C-N 3.34Å; M93-T95 PolarHBondContact O-N 3.39Å; T95-E98 PolarHBondContact O-N 3.46Å; T95-D99 WeakPolarHBondContact O-CB 3.42Å; T95-D99 PolarHBondContact O-N 3.33Å
96I93.1Very high91.5Very high10 Ų1064 Ų645%0.05130%0.304CS..Hα-helixtrans-66.6-40.5178.5-71.1163.8000111.1F27 E30 I31 L34 F80 S92 M93 M100F27-I96 HydrophobicContact CD2-CG1 4.17Å; F27-I96 HydrophobicContact CE2-CB 4.32Å; F27-I96 HydrophobicContact CE2-CG1 4.01Å; F27-I96 HydrophobicContact CE2-CG2 4.16Å; E30-I96 HydrophobicContact CB-CD1 4.08Å; E30-I96 HydrophobicContact CB-CG1 4.22Å; I31-I96 HydrophobicContact CB-CD1 4.45Å; I31-I96 HydrophobicContact CG1-CD1 3.64Å; I31-I96 HydrophobicContact CG1-CG1 4.11Å; L34-I96 HydrophobicContact CD1-CD1 3.35Å; L34-I96 HydrophobicContact CG-CD1 4.25Å; F80-I96 HydrophobicContact CE2-CG2 4.14Å; F80-I96 HydrophobicContact CZ-CG2 4.02Å; S92-I96 WeakPolarHBondContact O-CB 3.14Å; S92-I96 WeakPolarHBondContact O-CD1 3.27Å; S92-I96 VanDerWaalsContact O-CG1 3.31Å; S92-I96 WeakPolarHBondContact O-CG1 3.45Å; S92-I96 PolarHBondContact O-N 3.16Å; M93-I96 PolarHBondContact O-N 3Å; I96-M100 WeakPolarHBondContact O-CB 3.37Å; I96-M100 PolarHBondContact O-N 2.91Å
97K92.9Very high91.1Very high56 Ų5668.4 Ų68.424%0.24333%0.327CS..Hα-helixtrans-60-46.8176173.6176168.7-173.70111.3L77 F80 M93 L101L77-K97 HydrophobicContact CD2-CD 4.02Å; L77-K97 HydrophobicContact CD2-CG 3.7Å; F80-K97 HydrophobicContact CD2-CB 4.11Å; F80-K97 HydrophobicContact CE2-CB 4.3Å; M93-K97 WeakPolarHBondContact O-CB 3.4Å; M93-K97 PolarHBondContact O-N 2.85Å; K97-L101 HydrophobicContact CG-CD1 4.16Å; K97-L101 VanDerWaalsContact O-CG 3.26Å; K97-L101 WeakPolarHBondContact O-CG 3.26Å; K97-L101 PolarHBondContact O-N 3.2Å
98E91.2Very high91.1Very high81 Ų8162 Ų6238%0.37930%0.301SS..Hα-helixtrans-65.5-47.5179.9-169.760.4-158.200111.4D94 T95 M100 L101 V102 R112D94-E98 WeakPolarHBondContact O-CB 3.08Å; D94-E98 PolarHBondContact O-N 2.94Å; T95-E98 PolarHBondContact O-N 3.46Å; E98-M100 VanDerWaalsContact C-N 3.34Å; E98-M100 PolarHBondContact O-N 3.25Å; E98-L101 PolarHBondContact O-N 3.16Å; E98-V102 WeakPolarHBondContact O-CB 3.5Å; E98-V102 WeakPolarHBondContact O-CG2 3.44Å; E98-V102 PolarHBondContact O-N 2.95Å; E98-R112 IonicContact OE1-CZ 2.97Å; E98-R112 IonicContact OE1-NH1 2.69Å; E98-R112 PolarHBondContact OE1-NH1 3.33Å; E98-R112 IonicContact OE1-NH2 3.42Å; E98-R112 IonicContact OE2-CZ 2.68Å; E98-R112 IonicContact OE2-NH1 3.59Å; E98-R112 PolarHBondContact OE2-NH1 2.95Å; E98-R112 IonicContact OE2-NH2 3.41Å; E98-R112 PolarHBondContact OE2-NH2 3.4Å
99D90.9Very high91.1Very high33 Ų3360.2 Ų60.218%0.17630%0.3CS..Hα-helixtrans-61.2-41.3177.4179.684.4000111.8F27 T95 L101 V102 R103F27-D99 HydrophobicContact CD2-CB 3.84Å; F27-D99 VanDerWaalsContact CD2-OD2 3.32Å; F27-D99 WeakPolarHBondContact CD2-OD2 3.31Å; F27-D99 HydrophobicContact CE2-CB 4Å; F27-D99 WeakPolarHBondContact CE2-OD2 3.39Å; T95-D99 WeakPolarHBondContact O-CB 3.42Å; T95-D99 PolarHBondContact O-N 3.33Å; D99-L101 PolarHBondContact O-N 3.42Å; D99-V102 PolarHBondContact O-N 3.39Å; D99-R103 VanDerWaalsContact CG-NE 3.31Å; D99-R103 WeakPolarHBondContact O-CB 3.32Å; D99-R103 VanDerWaalsContact O-CG 3.31Å; D99-R103 WeakPolarHBondContact O-CG 3.31Å; D99-R103 PolarHBondContact O-N 3.13Å; D99-R103 IonicContact OD1-CZ 3.54Å; D99-R103 IonicContact OD1-NE 3.54Å; D99-R103 PolarHBondContact OD1-NE 2.99Å; D99-R103 IonicContact OD1-NH2 2.7Å; D99-R103 PolarHBondContact OD1-NH2 3.5Å; D99-R103 WeakPolarHBondContact OD2-CD 3.32Å; D99-R103 IonicContact OD2-CZ 3.22Å; D99-R103 IonicContact OD2-NE 3.06Å; D99-R103 PolarHBondContact OD2-NE 3.05Å; D99-R103 IonicContact OD2-NH2 2.7Å; D99-R103 PolarHBondContact OD2-NH2 3.19Å
100M92Very high91.2Very high40 Ų4063.2 Ų63.220%0.19732%0.321CS..Hα-helixtrans-60.2-47.2175.4-178.3-177.3-69.700112V73 Y76 I96 E98 R103 F104V73-M100 HydrophobicContact CB-SD 4.31Å; V73-M100 HydrophobicContact CG1-CG 4.43Å; V73-M100 HydrophobicContact CG1-SD 4.08Å; V73-M100 HydrophobicContact CG2-CG 4.13Å; V73-M100 HydrophobicContact CG2-SD 4.05Å; Y76-M100 HydrophobicContact CD2-CE 3.83Å; Y76-M100 HydrophobicContact CG-CE 3.93Å; I96-M100 WeakPolarHBondContact O-CB 3.37Å; I96-M100 PolarHBondContact O-N 2.91Å; E98-M100 VanDerWaalsContact C-N 3.34Å; E98-M100 PolarHBondContact O-N 3.25Å; M100-R103 PolarHBondContact O-N 2.9Å; M100-F104 VanDerWaalsContact O-CB 3.3Å; M100-F104 WeakPolarHBondContact O-CB 3.25Å; M100-F104 PolarHBondContact O-N 3.48Å
101L91.7Very high91.2Very high1 Ų165.5 Ų65.51%0.00533%0.33CS..Hα-helixtrans-65.9-41.6178.9-70.1173.2000111.5V73 L77 K97 E98 D99 F104 F105V73-L101 HydrophobicContact CG1-CD2 4.41Å; L77-L101 HydrophobicContact CD1-CD2 4.27Å; K97-L101 HydrophobicContact CG-CD1 4.16Å; K97-L101 VanDerWaalsContact O-CG 3.26Å; K97-L101 WeakPolarHBondContact O-CG 3.26Å; K97-L101 PolarHBondContact O-N 3.2Å; E98-L101 PolarHBondContact O-N 3.16Å; D99-L101 PolarHBondContact O-N 3.42Å; L101-F104 PolarHBondContact O-N 3.37Å; L101-F105 HydrophobicContact CB-CD2 4.46Å; L101-F105 HydrophobicContact CD2-CD2 4.16Å; L101-F105 HydrophobicContact CD2-CE2 3.69Å; L101-F105 WeakPolarHBondContact O-CB 3.3Å; L101-F105 VanDerWaalsContact O-CD2 3.29Å; L101-F105 WeakPolarHBondContact O-CD2 3.43Å; L101-F105 PolarHBondContact O-N 3.06Å
102V91.1Very high91.3Very high45 Ų4561.3 Ų61.327%0.27331%0.314SS..Hα-helixtrans-59-48.8176158.70000111E98 D99 N106 N107E98-V102 WeakPolarHBondContact O-CB 3.5Å; E98-V102 WeakPolarHBondContact O-CG2 3.44Å; E98-V102 PolarHBondContact O-N 2.95Å; D99-V102 PolarHBondContact O-N 3.39Å; V102-N106 WeakPolarHBondContact O-CA 3.48Å; V102-N106 PolarHBondContact O-N 3.1Å; V102-N107 VanDerWaalsContact CG1-OD1 3.23Å; V102-N107 WeakPolarHBondContact CG1-OD1 3.29Å; V102-N107 PolarHBondContact O-N 3.34Å
103R90.3Very high91.5Very high148 Ų14866 Ų6656%0.55834%0.336SS*.Hα-helixtrans-65.3-45.4179.3-71.7179.4-165.6-103.5-5.5112.3D99 M100D99-R103 VanDerWaalsContact CG-NE 3.31Å; D99-R103 WeakPolarHBondContact O-CB 3.32Å; D99-R103 VanDerWaalsContact O-CG 3.31Å; D99-R103 WeakPolarHBondContact O-CG 3.31Å; D99-R103 PolarHBondContact O-N 3.13Å; D99-R103 IonicContact OD1-CZ 3.54Å; D99-R103 IonicContact OD1-NE 3.54Å; D99-R103 PolarHBondContact OD1-NE 2.99Å; D99-R103 IonicContact OD1-NH2 2.7Å; D99-R103 PolarHBondContact OD1-NH2 3.5Å; D99-R103 WeakPolarHBondContact OD2-CD 3.32Å; D99-R103 IonicContact OD2-CZ 3.22Å; D99-R103 IonicContact OD2-NE 3.06Å; D99-R103 PolarHBondContact OD2-NE 3.05Å; D99-R103 IonicContact OD2-NH2 2.7Å; D99-R103 PolarHBondContact OD2-NH2 3.19Å; M100-R103 PolarHBondContact O-N 2.9Å
104F91.9Very high91.6Very high56 Ų5669.9 Ų69.925%0.24636%0.356CS..Hα-helixtrans-69.6-40.2-175.9-176.6-109000112.5Q69 V73 M100 L101Q69-F104 HydrophobicContact CB-CD2 4.32Å; Q69-F104 HydrophobicContact CB-CE2 3.8Å; V73-F104 HydrophobicContact CG2-CB 4.35Å; V73-F104 HydrophobicContact CG2-CD1 4.42Å; V73-F104 HydrophobicContact CG2-CD2 4.1Å; V73-F104 HydrophobicContact CG2-CG 4.03Å; M100-F104 VanDerWaalsContact O-CB 3.3Å; M100-F104 WeakPolarHBondContact O-CB 3.25Å; M100-F104 PolarHBondContact O-N 3.48Å; L101-F104 PolarHBondContact O-N 3.37Å
105F91.3Very high91.7Very high17 Ų1766.8 Ų66.88%0.07534%0.339CS..Hα-helixtrans-91.3-0.5-179.2-66.6-64.5000114.4L101 N107 S108 K111 R112 F115L101-F105 HydrophobicContact CB-CD2 4.46Å; L101-F105 HydrophobicContact CD2-CD2 4.16Å; L101-F105 HydrophobicContact CD2-CE2 3.69Å; L101-F105 WeakPolarHBondContact O-CB 3.3Å; L101-F105 VanDerWaalsContact O-CD2 3.29Å; L101-F105 WeakPolarHBondContact O-CD2 3.43Å; L101-F105 PolarHBondContact O-N 3.06Å; F105-N107 VanDerWaalsContact C-N 3.27Å; F105-N107 PolarHBondContact O-N 3.08Å; F105-S108 WeakPolarHBondContact O-CB 3.46Å; F105-S108 PolarHBondContact O-N 2.67Å; F105-K111 HydrophobicContact CD1-CB 3.51Å; F105-K111 HydrophobicContact CE1-CB 4.08Å; F105-K111 HydrophobicContact CG-CB 4.34Å; F105-R112 HydrophobicContact CB-CB 4.39Å; F105-R112 HydrophobicContact CD2-CB 3.69Å; F105-R112 HydrophobicContact CD2-CG 4.09Å; F105-R112 HydrophobicContact CE2-CB 4.19Å; F105-R112 HydrophobicContact CE2-CG 4.38Å; F105-R112 HydrophobicContact CG-CB 3.99Å; F105-F115 HydrophobicContact CE1-CB 3.85Å; F105-F115 HydrophobicContact CE1-CG 4.17Å; F105-F115 HydrophobicContact CE2-CB 4.22Å; F105-F115 AromaticContact CE2-CD1 3.91Å; F105-F115 HydrophobicContact CE2-CD1 3.91Å; F105-F115 HydrophobicContact CE2-CE1 4.46Å; F105-F115 HydrophobicContact CE2-CG 4.15Å; F105-F115 HydrophobicContact CZ-CB 3.34Å; F105-F115 AromaticContact CZ-CD1 3.54Å; F105-F115 HydrophobicContact CZ-CD1 3.54Å; F105-F115 AromaticContact CZ-CD2 3.88Å; F105-F115 HydrophobicContact CZ-CD2 3.88Å; F105-F115 HydrophobicContact CZ-CE1 4.21Å; F105-F115 AromaticContact CZ-CG 3.33Å; F105-F115 HydrophobicContact CZ-CG 3.33Å
106N88.8Confident91.9Very high139 Ų13966.1 Ų66.174%0.74333%0.334SS*.THydrogen-bonded Turntrans49.349.4-174.8-170.625.4000111.5V102 S108V102-N106 WeakPolarHBondContact O-CA 3.48Å; V102-N106 PolarHBondContact O-N 3.1Å; N106-S108 PolarHBondContact O-N 2.99Å
107N83.1Confident92Very high122 Ų12270.8 Ų70.865%0.65235%0.353SS*.THydrogen-bonded Turntrans57.914.8-175.1-68.2-44000116.4V102 F105 S109V102-N107 VanDerWaalsContact CG1-OD1 3.23Å; V102-N107 WeakPolarHBondContact CG1-OD1 3.29Å; V102-N107 PolarHBondContact O-N 3.34Å; F105-N107 VanDerWaalsContact C-N 3.27Å; F105-N107 PolarHBondContact O-N 3.08Å; N107-S109 PolarHBondContact O-N 3.27Å
108S91.5Very high92.1Very high32 Ų3273.6 Ų73.622%0.22437%0.371CS..  trans-77.2104.4175.3-176.30000111.2F105 N106 S110 K111 R112F105-S108 WeakPolarHBondContact O-CB 3.46Å; F105-S108 PolarHBondContact O-N 2.67Å; N106-S108 PolarHBondContact O-N 2.99Å; S108-S110 PolarHBondContact O-N 3.03Å; S108-S110 PolarHBondContact OG-OG 3.22Å; S108-K111 WeakPolarHBondContact OG-CG 3.44Å; S108-R112 WeakPolarHBondContact O-CB 3.42Å; S108-R112 PolarHBondContact O-N 3.36Å; S108-R112 VanDerWaalsContact O-N 3.13Å
109S90.6Very high92.2Very high94 Ų9472.7 Ų72.766%0.65737%0.368SS*.Hα-helixtrans-62.4-40.217955.10000113.1N107 R112 E113N107-S109 PolarHBondContact O-N 3.27Å; S109-R112 PolarHBondContact O-N 3.49Å; S109-E113 WeakPolarHBondContact O-CB 3.43Å; S109-E113 PolarHBondContact O-N 3.21Å
110S93.4Very high92.3Very high67 Ų6778.9 Ų78.947%0.46939%0.389SS..Hα-helixtrans-63.6-48.5179.354.40000112.4S108 R112 E113 D114S108-S110 PolarHBondContact O-N 3.03Å; S108-S110 PolarHBondContact OG-OG 3.22Å; S110-R112 VanDerWaalsContact C-N 3.31Å; S110-R112 PolarHBondContact O-N 3.15Å; S110-E113 PolarHBondContact O-N 3.26Å; S110-D114 PolarHBondContact O-N 3.42Å
111K93.1Very high92.5Very high131 Ų13180.7 Ų80.757%0.5740%0.398SS*.Hα-helixtrans-61-41.9177-67-180-175.1178.80111.7F105 S108 F115F105-K111 HydrophobicContact CD1-CB 3.51Å; F105-K111 HydrophobicContact CE1-CB 4.08Å; F105-K111 HydrophobicContact CG-CB 4.34Å; S108-K111 WeakPolarHBondContact OG-CG 3.44Å; K111-F115 VanDerWaalsContact O-CB 3.25Å; K111-F115 WeakPolarHBondContact O-CB 3.23Å; K111-F115 PolarHBondContact O-N 3.22Å
112R93.1Very high92.6Very high73 Ų7384.2 Ų84.228%0.27542%0.421SS..Hα-helixtrans-60.1-48.1176.1176.1-174.8173168.96.2111.2E98 F105 S108 S109 S110 F115 L116E98-R112 IonicContact OE1-CZ 2.97Å; E98-R112 IonicContact OE1-NH1 2.69Å; E98-R112 PolarHBondContact OE1-NH1 3.33Å; E98-R112 IonicContact OE1-NH2 3.42Å; E98-R112 IonicContact OE2-CZ 2.68Å; E98-R112 IonicContact OE2-NH1 3.59Å; E98-R112 PolarHBondContact OE2-NH1 2.95Å; E98-R112 IonicContact OE2-NH2 3.41Å; E98-R112 PolarHBondContact OE2-NH2 3.4Å; F105-R112 HydrophobicContact CB-CB 4.39Å; F105-R112 HydrophobicContact CD2-CB 3.69Å; F105-R112 HydrophobicContact CD2-CG 4.09Å; F105-R112 HydrophobicContact CE2-CB 4.19Å; F105-R112 HydrophobicContact CE2-CG 4.38Å; F105-R112 HydrophobicContact CG-CB 3.99Å; S108-R112 WeakPolarHBondContact O-CB 3.42Å; S108-R112 PolarHBondContact O-N 3.36Å; S108-R112 VanDerWaalsContact O-N 3.13Å; S109-R112 PolarHBondContact O-N 3.49Å; S110-R112 VanDerWaalsContact C-N 3.31Å; S110-R112 PolarHBondContact O-N 3.15Å; R112-F115 PolarHBondContact O-N 3.4Å; R112-L116 HydrophobicContact CG-CD1 4.11Å; R112-L116 WeakPolarHBondContact O-CB 3.18Å; R112-L116 VanDerWaalsContact O-CG 3.29Å; R112-L116 WeakPolarHBondContact O-CG 3.44Å; R112-L116 PolarHBondContact O-N 3.16Å
113E94.4Very high92.7Very high108 Ų10887.1 Ų87.151%0.50544%0.439SS..Hα-helixtrans-64.6-45.7-178.6-167-171.7154.400111.5S109 S110 F115 L116 K117S109-E113 WeakPolarHBondContact O-CB 3.43Å; S109-E113 PolarHBondContact O-N 3.21Å; S110-E113 PolarHBondContact O-N 3.26Å; E113-F115 VanDerWaalsContact C-N 3.34Å; E113-F115 PolarHBondContact O-N 2.89Å; E113-L116 PolarHBondContact O-N 3.42Å; E113-K117 HydrophobicContact CG-CD 4.49Å; E113-K117 VanDerWaalsContact O-CG 3.32Å; E113-K117 WeakPolarHBondContact O-CG 3.24Å; E113-K117 PolarHBondContact O-N 2.87Å; E113-K117 WeakPolarHBondContact OE1-CE 3.45Å; E113-K117 IonicContact OE1-NZ 3.63Å; E113-K117 PolarHBondContact OE1-NZ 3.22Å
114D95.7Very high93Very high88 Ų8887.5 Ų87.547%0.47145%0.452SS..Hα-helixtrans-62.9-41.7177.8-70.6-20.2000111.5S110 K117 L118S110-D114 PolarHBondContact O-N 3.42Å; D114-K117 WeakPolarHBondContact O-CB 3.47Å; D114-K117 PolarHBondContact O-N 3.48Å; D114-K117 IonicContact OD1-NZ 3.77Å; D114-L118 VanDerWaalsContact O-CG 3.32Å; D114-L118 WeakPolarHBondContact O-CG 3.48Å; D114-L118 PolarHBondContact O-N 3.12Å
115F95.4Very high93.2Very high18 Ų1888.3 Ų88.38%0.07946%0.459CS..Hα-helixtrans-61.6-46.5173.8177.2-97.4000112.7S70 V73 S74 L77 F105 K111 R112 E113 K117 L118 I119S70-F115 WeakPolarHBondContact OG-CE2 3.39Å; V73-F115 HydrophobicContact CB-CZ 4.34Å; V73-F115 HydrophobicContact CG1-CE1 3.97Å; V73-F115 HydrophobicContact CG1-CZ 3.93Å; S74-F115 WeakPolarHBondContact OG-CZ 3.4Å; L77-F115 HydrophobicContact CD1-CE1 3.7Å; F105-F115 HydrophobicContact CE1-CB 3.85Å; F105-F115 HydrophobicContact CE1-CG 4.17Å; F105-F115 HydrophobicContact CE2-CB 4.22Å; F105-F115 AromaticContact CE2-CD1 3.91Å; F105-F115 HydrophobicContact CE2-CD1 3.91Å; F105-F115 HydrophobicContact CE2-CE1 4.46Å; F105-F115 HydrophobicContact CE2-CG 4.15Å; F105-F115 HydrophobicContact CZ-CB 3.34Å; F105-F115 AromaticContact CZ-CD1 3.54Å; F105-F115 HydrophobicContact CZ-CD1 3.54Å; F105-F115 AromaticContact CZ-CD2 3.88Å; F105-F115 HydrophobicContact CZ-CD2 3.88Å; F105-F115 HydrophobicContact CZ-CE1 4.21Å; F105-F115 AromaticContact CZ-CG 3.33Å; F105-F115 HydrophobicContact CZ-CG 3.33Å; K111-F115 VanDerWaalsContact O-CB 3.25Å; K111-F115 WeakPolarHBondContact O-CB 3.23Å; K111-F115 PolarHBondContact O-N 3.22Å; R112-F115 PolarHBondContact O-N 3.4Å; E113-F115 VanDerWaalsContact C-N 3.34Å; E113-F115 PolarHBondContact O-N 2.89Å; F115-K117 VanDerWaalsContact C-N 3.27Å; F115-K117 PolarHBondContact O-N 3.42Å; F115-L118 WeakPolarHBondContact O-CB 3.25Å; F115-L118 PolarHBondContact O-N 3.34Å; F115-L118 VanDerWaalsContact O-N 3.14Å; F115-I119 HydrophobicContact CE1-CD1 4.49Å; F115-I119 HydrophobicContact CE1-CG2 4.19Å; F115-I119 HydrophobicContact CE2-CG2 4.44Å; F115-I119 HydrophobicContact CZ-CG2 4.16Å; F115-I119 PolarHBondContact O-N 2.94Å; F115-I119 VanDerWaalsContact O-N 3.12Å
116L93.8Very high93.5Very high30 Ų3092 Ų9216%0.15748%0.479CS..Hα-helixtrans-64.2-32.4177.4-71.3176.7000112.2L77 R112 E113 I119 R120L77-L116 HydrophobicContact CD1-CD2 4Å; R112-L116 HydrophobicContact CG-CD1 4.11Å; R112-L116 WeakPolarHBondContact O-CB 3.18Å; R112-L116 VanDerWaalsContact O-CG 3.29Å; R112-L116 WeakPolarHBondContact O-CG 3.44Å; R112-L116 PolarHBondContact O-N 3.16Å; E113-L116 PolarHBondContact O-N 3.42Å; L116-I119 HydrophobicContact CD2-CD1 3.73Å; L116-I119 WeakPolarHBondContact O-CG1 3.31Å; L116-R120 WeakPolarHBondContact O-CB 3.46Å; L116-R120 WeakPolarHBondContact O-CD 3.42Å; L116-R120 VanDerWaalsContact O-CG 3.26Å; L116-R120 WeakPolarHBondContact O-CG 3.27Å; L116-R120 PolarHBondContact O-N 3.17Å
117K95.3Very high93.9Very high107 Ų10790.5 Ų90.547%0.46547%0.467SS..Hα-helixtrans-63.9-47.1171.5-74.6168.1-176.2158.50110.6E113 D114 F115 I119 R120 I121E113-K117 HydrophobicContact CG-CD 4.49Å; E113-K117 VanDerWaalsContact O-CG 3.32Å; E113-K117 WeakPolarHBondContact O-CG 3.24Å; E113-K117 PolarHBondContact O-N 2.87Å; E113-K117 WeakPolarHBondContact OE1-CE 3.45Å; E113-K117 IonicContact OE1-NZ 3.63Å; E113-K117 PolarHBondContact OE1-NZ 3.22Å; D114-K117 WeakPolarHBondContact O-CB 3.47Å; D114-K117 PolarHBondContact O-N 3.48Å; D114-K117 IonicContact OD1-NZ 3.77Å; F115-K117 VanDerWaalsContact C-N 3.27Å; F115-K117 PolarHBondContact O-N 3.42Å; K117-I119 PolarHBondContact O-N 2.94Å; K117-R120 PolarHBondContact O-N 3.35Å; K117-I121 WeakPolarHBondContact O-CG1 3.35Å; K117-I121 PolarHBondContact O-N 3.28Å
118L95.3Very high94.6Very high116 Ų11686.4 Ų86.461%0.60745%0.446SS*.Hα-helixtrans-59.7-45.9-178.2-71.3171.7000112.7D114 F115 R120 I121D114-L118 VanDerWaalsContact O-CG 3.32Å; D114-L118 WeakPolarHBondContact O-CG 3.48Å; D114-L118 PolarHBondContact O-N 3.12Å; F115-L118 WeakPolarHBondContact O-CB 3.25Å; F115-L118 PolarHBondContact O-N 3.34Å; F115-L118 VanDerWaalsContact O-N 3.14Å; L118-R120 PolarHBondContact O-N 3.41Å; L118-I121 HydrophobicContact CD2-CD1 4.05Å; L118-I121 WeakPolarHBondContact O-CG1 3.47Å; L118-I121 PolarHBondContact O-N 2.69Å
119I94Very high94.9Very high62 Ų6288.8 Ų88.832%0.31845%0.454SS..Hα-helixtrans-68.8-23.1-178.667.4176.8000113.3L77 F115 L116 K117L77-I119 HydrophobicContact CB-CD1 4.49Å; L77-I119 HydrophobicContact CD1-CD1 3.62Å; F115-I119 HydrophobicContact CE1-CD1 4.49Å; F115-I119 HydrophobicContact CE1-CG2 4.19Å; F115-I119 HydrophobicContact CE2-CG2 4.44Å; F115-I119 HydrophobicContact CZ-CG2 4.16Å; F115-I119 PolarHBondContact O-N 2.94Å; F115-I119 VanDerWaalsContact O-N 3.12Å; L116-I119 HydrophobicContact CD2-CD1 3.73Å; L116-I119 WeakPolarHBondContact O-CG1 3.31Å; K117-I119 PolarHBondContact O-N 2.94Å
120R93.8Very high95.2Very high163 Ų16391.3 Ų91.362%0.61545%0.449SS*.THydrogen-bonded Turntrans-90.1-2.3-177.7-72.3175.6179.7174.2-0.2113.7L116 K117 L118 P122L116-R120 WeakPolarHBondContact O-CB 3.46Å; L116-R120 WeakPolarHBondContact O-CD 3.42Å; L116-R120 VanDerWaalsContact O-CG 3.26Å; L116-R120 WeakPolarHBondContact O-CG 3.27Å; L116-R120 PolarHBondContact O-N 3.17Å; K117-R120 PolarHBondContact O-N 3.35Å; L118-R120 PolarHBondContact O-N 3.41Å; R120-P122 WeakPolarHBondContact O-CD 3.46Å
121I95.2Very high95.4Very high78 Ų7894.6 Ų94.640%0.446%0.455SS..  trans-62.2120.4-178.6-66.2176.8000109.4K117 L118 V123 V128K117-I121 WeakPolarHBondContact O-CG1 3.35Å; K117-I121 PolarHBondContact O-N 3.28Å; L118-I121 HydrophobicContact CD2-CD1 4.05Å; L118-I121 WeakPolarHBondContact O-CG1 3.47Å; L118-I121 PolarHBondContact O-N 2.69Å; I121-V123 PolarHBondContact O-N 3.29Å; I121-V128 HydrophobicContact CG2-CG1 3.31Å
122P94.1Very high95.6Very high74 Ų7491 Ų9148%0.48145%0.45SS..  trans-77.396.3179.829.9-31.9000109.9R120 N124 D125 V128R120-P122 WeakPolarHBondContact O-CD 3.46Å; P122-N124 PolarHBondContact O-N 3.29Å; P122-N124 VanDerWaalsContact O-N 3.1Å; P122-D125 HydrophobicContact CB-CB 4.27Å; P122-D125 HydrophobicContact CG-CB 4.03Å; P122-D125 WeakPolarHBondContact O-CB 3.06Å; P122-D125 PolarHBondContact O-N 2.87Å; P122-V128 HydrophobicContact CG-CG2 4.06Å
123V93.8Very high95.8Very high106 Ų10693.2 Ų93.264%0.64247%0.466SS*.THydrogen-bonded Turntrans-60.3-23.1-177.5-177.60000112.8I121 D125 Q129I121-V123 PolarHBondContact O-N 3.29Å; V123-D125 VanDerWaalsContact C-N 3.34Å; V123-Q129 VanDerWaalsContact O-CG 3.29Å; V123-Q129 WeakPolarHBondContact O-CG 3.38Å; V123-Q129 PolarHBondContact O-NE2 2.96Å
124N95.3Very high96Very high157 Ų15794.4 Ų94.484%0.8448%0.476SS*.THydrogen-bonded Turntrans-81.6-8.8178.5-63.6-23.9000113.9P122P122-N124 PolarHBondContact O-N 3.29Å; P122-N124 VanDerWaalsContact O-N 3.1Å
125D97.4Very high96Very high72 Ų7295.1 Ų95.139%0.38548%0.476SS..  trans-78.1123.9177.5-177.9-40.5000110.6P122 V123 Q127 V128 Q129P122-D125 HydrophobicContact CB-CB 4.27Å; P122-D125 HydrophobicContact CG-CB 4.03Å; P122-D125 WeakPolarHBondContact O-CB 3.06Å; P122-D125 PolarHBondContact O-N 2.87Å; V123-D125 VanDerWaalsContact C-N 3.34Å; D125-Q127 VanDerWaalsContact C-N 3.3Å; D125-Q127 PolarHBondContact O-N 2.96Å; D125-Q127 WeakPolarHBondContact OD1-CA 3.21Å; D125-Q127 WeakPolarHBondContact OD1-CB 3.44Å; D125-Q127 PolarHBondContact OD1-N 3.4Å; D125-V128 HydrophobicContact CB-CB 3.99Å; D125-V128 HydrophobicContact CB-CG2 3.83Å; D125-V128 WeakPolarHBondContact O-CB 3.38Å; D125-V128 PolarHBondContact O-N 3.34Å; D125-V128 PolarHBondContact OD1-N 2.86Å; D125-Q129 WeakPolarHBondContact O-CG 3.27Å; D125-Q129 PolarHBondContact O-N 2.88Å
126L97.2Very high96Very high95 Ų9598.1 Ų98.150%0.49749%0.493SS..Hα-helixtrans-59.6-36.7-178.3-179.463.2000113.2Q129 R130L126-Q129 PolarHBondContact O-N 3.42Å; L126-R130 VanDerWaalsContact O-CG 3.3Å; L126-R130 WeakPolarHBondContact O-CG 3.13Å; L126-R130 PolarHBondContact O-N 3.07Å
127Q97.4Very high95.9Very high108 Ų108102.8 Ų102.851%0.50552%0.517SS..Hα-helixtrans-70.3-38.8178.3-67.4-64.6-26.800111.3D125 R130 K131D125-Q127 VanDerWaalsContact C-N 3.3Å; D125-Q127 PolarHBondContact O-N 2.96Å; D125-Q127 WeakPolarHBondContact OD1-CA 3.21Å; D125-Q127 WeakPolarHBondContact OD1-CB 3.44Å; D125-Q127 PolarHBondContact OD1-N 3.4Å; Q127-R130 PolarHBondContact O-N 3.26Å; Q127-K131 WeakPolarHBondContact O-CG 3.48Å; Q127-K131 PolarHBondContact O-N 3.48Å
128V97.3Very high95.9Very high35 Ų35105.1 Ų105.121%0.21253%0.527CS..Hα-helixtrans-62.1-46.5174170.30000110.5I121 P122 D125 R130 K131 A132I121-V128 HydrophobicContact CG2-CG1 3.31Å; P122-V128 HydrophobicContact CG-CG2 4.06Å; D125-V128 HydrophobicContact CB-CB 3.99Å; D125-V128 HydrophobicContact CB-CG2 3.83Å; D125-V128 WeakPolarHBondContact O-CB 3.38Å; D125-V128 PolarHBondContact O-N 3.34Å; D125-V128 PolarHBondContact OD1-N 2.86Å; V128-R130 PolarHBondContact O-N 3.49Å; V128-K131 PolarHBondContact O-N 3.49Å; V128-A132 WeakPolarHBondContact O-CB 3.43Å; V128-A132 PolarHBondContact O-N 3.37Å
129Q97.1Very high95.8Very high83 Ų83103 Ų10339%0.38852%0.519SS..Hα-helixtrans-58.1-47.4176.7-68.8170.94.100111.7V123 D125 L126 K131 A132 I133V123-Q129 VanDerWaalsContact O-CG 3.29Å; V123-Q129 WeakPolarHBondContact O-CG 3.38Å; V123-Q129 PolarHBondContact O-NE2 2.96Å; D125-Q129 WeakPolarHBondContact O-CG 3.27Å; D125-Q129 PolarHBondContact O-N 2.88Å; L126-Q129 PolarHBondContact O-N 3.42Å; Q129-K131 VanDerWaalsContact C-N 3.33Å; Q129-K131 PolarHBondContact O-N 3.35Å; Q129-A132 PolarHBondContact O-N 2.96Å; Q129-I133 WeakPolarHBondContact O-CG1 3.35Å; Q129-I133 PolarHBondContact O-N 3.42Å
130R97.6Very high95.8Very high147 Ų147105.3 Ų105.356%0.55553%0.529SS*.Hα-helixtrans-58.6-43.4177.6-73.9173.7179.3-166.70.1112.2L126 Q127 V128 N134L126-R130 VanDerWaalsContact O-CG 3.3Å; L126-R130 WeakPolarHBondContact O-CG 3.13Å; L126-R130 PolarHBondContact O-N 3.07Å; Q127-R130 PolarHBondContact O-N 3.26Å; V128-R130 PolarHBondContact O-N 3.49Å; R130-N134 WeakPolarHBondContact O-CB 3.33Å; R130-N134 PolarHBondContact O-N 2.95Å
131K97.6Very high95.6Very high135 Ų135102.3 Ų102.359%0.58753%0.525SS*.Hα-helixtrans-64.8-46.4176.1-73178178-178.20111.8Q127 V128 Q129 I133 N134 E135Q127-K131 WeakPolarHBondContact O-CG 3.48Å; Q127-K131 PolarHBondContact O-N 3.48Å; V128-K131 PolarHBondContact O-N 3.49Å; Q129-K131 VanDerWaalsContact C-N 3.33Å; Q129-K131 PolarHBondContact O-N 3.35Å; K131-I133 VanDerWaalsContact C-N 3.33Å; K131-I133 PolarHBondContact O-N 2.92Å; K131-N134 WeakPolarHBondContact O-CB 3.32Å; K131-N134 PolarHBondContact O-N 3.49Å; K131-N134 VanDerWaalsContact O-N 3.16Å; K131-E135 PolarHBondContact O-N 3.49Å
132A96.6Very high95.3Very high56 Ų56104.5 Ų104.546%0.46354%0.538SS..Hα-helixtrans-58.4-44.5178.900000111.8V128 Q129 E135 L136V128-A132 WeakPolarHBondContact O-CB 3.43Å; V128-A132 PolarHBondContact O-N 3.37Å; Q129-A132 PolarHBondContact O-N 2.96Å; A132-E135 PolarHBondContact O-N 3.49Å; A132-L136 WeakPolarHBondContact O-CB 3.3Å; A132-L136 PolarHBondContact O-N 2.68Å
133I97.5Very high94.9Very high120 Ų120107 Ų10762%0.61555%0.546SS*.Hα-helixtrans-67.7-38.4177.1-63.2-58.8000111.9Q129 K131 E135 L136Q129-I133 WeakPolarHBondContact O-CG1 3.35Å; Q129-I133 PolarHBondContact O-N 3.42Å; K131-I133 VanDerWaalsContact C-N 3.33Å; K131-I133 PolarHBondContact O-N 2.92Å; I133-E135 VanDerWaalsContact C-N 3.29Å; I133-E135 PolarHBondContact O-N 3.31Å; I133-L136 HydrophobicContact CD1-CD2 4.36Å; I133-L136 WeakPolarHBondContact O-CB 3.22Å; I133-L136 PolarHBondContact O-N 3.29Å
134N97.6Very high94.2Very high132 Ų132104.9 Ų104.971%0.70654%0.537SS*.Hα-helixtrans-63.6-33.7176.4-177.960.3000112.8R130 K131R130-N134 WeakPolarHBondContact O-CB 3.33Å; R130-N134 PolarHBondContact O-N 2.95Å; K131-N134 WeakPolarHBondContact O-CB 3.32Å; K131-N134 PolarHBondContact O-N 3.49Å; K131-N134 VanDerWaalsContact O-N 3.16Å
135E96.8Very high92.9Very high103 Ų103103.1 Ų103.148%0.48153%0.534SS..Hα-helixtrans-89.8-14.6-179.7-68.4175.2-152.800113.6K131 A132 I133 I137 K138 V139K131-E135 PolarHBondContact O-N 3.49Å; A132-E135 PolarHBondContact O-N 3.49Å; I133-E135 VanDerWaalsContact C-N 3.29Å; I133-E135 PolarHBondContact O-N 3.31Å; E135-I137 VanDerWaalsContact C-N 3.31Å; E135-I137 PolarHBondContact O-N 3.33Å; E135-I137 VanDerWaalsContact O-N 3.16Å; E135-K138 WeakPolarHBondContact O-CB 3.48Å; E135-K138 PolarHBondContact O-N 3.14Å; E135-V139 PolarHBondContact O-N 3.08Å; E135-V139 VanDerWaalsContact O-N 3.12Å
136L95.3Very high91.1Very high82 Ų82109.2 Ų109.243%0.42955%0.551SS.*Hα-helixtrans-52.3-43.1-171.9-178.159.9000113.7A132 I133 K138 V139 M140A132-L136 WeakPolarHBondContact O-CB 3.3Å; A132-L136 PolarHBondContact O-N 2.68Å; I133-L136 HydrophobicContact CD1-CD2 4.36Å; I133-L136 WeakPolarHBondContact O-CB 3.22Å; I133-L136 PolarHBondContact O-N 3.29Å; L136-K138 VanDerWaalsContact C-N 3.28Å; L136-K138 PolarHBondContact O-N 3.24Å; L136-V139 PolarHBondContact O-N 3.46Å; L136-M140 HydrophobicContact CD1-CG 4.12Å; L136-M140 HydrophobicContact CD1-SD 4.48Å; L136-M140 HydrophobicContact CG-CG 4.33Å; L136-M140 VanDerWaalsContact O-CG 3.31Å; L136-M140 WeakPolarHBondContact O-CG 3.36Å; L136-M140 PolarHBondContact O-N 2.95Å
137I92.7Very high89Confident128 Ų128108.7 Ų108.766%0.65656%0.555SS**Hα-helixtrans-60.5-40.5179.7-64.7173.4000111E135 N141E135-I137 VanDerWaalsContact C-N 3.31Å; E135-I137 PolarHBondContact O-N 3.33Å; E135-I137 VanDerWaalsContact O-N 3.16Å; I137-N141 VanDerWaalsContact O-CG 3.24Å; I137-N141 PolarHBondContact O-N 2.98Å; I137-N141 VanDerWaalsContact O-N 3.12Å; I137-N141 PolarHBondContact O-ND2 3.43Å; I137-N141 VanDerWaalsContact O-ND2 3.14Å
138K93.4Very high86.8Confident156 Ų156111.1 Ų111.168%0.67857%0.572SS**Hα-helixtrans-68.1-43.2178.5-64.8178-179.3174.40110.8E135 L136 M140 N141 D142E135-K138 WeakPolarHBondContact O-CB 3.48Å; E135-K138 PolarHBondContact O-N 3.14Å; L136-K138 VanDerWaalsContact C-N 3.28Å; L136-K138 PolarHBondContact O-N 3.24Å; K138-M140 PolarHBondContact O-N 3.02Å; K138-N141 PolarHBondContact O-N 3.25Å; K138-D142 PolarHBondContact O-N 3.12Å; K138-D142 VanDerWaalsContact O-N 3.08Å
139V94.2Very high84.7Confident72 Ų72115.9 Ų115.944%0.43660%0.595SS.*Hα-helixtrans-58.9-47.3176.2176.30000110.7E135 L136 N141 D142 L143E135-V139 PolarHBondContact O-N 3.08Å; E135-V139 VanDerWaalsContact O-N 3.12Å; L136-V139 PolarHBondContact O-N 3.46Å; V139-N141 VanDerWaalsContact C-N 3.3Å; V139-N141 PolarHBondContact O-N 3.33Å; V139-D142 PolarHBondContact O-N 2.93Å; V139-D142 VanDerWaalsContact O-N 3.17Å; V139-L143 HydrophobicContact CG1-CD1 4.11Å; V139-L143 HydrophobicContact CG1-CG 4.35Å; V139-L143 WeakPolarHBondContact O-CG 3.13Å; V139-L143 PolarHBondContact O-N 3.46Å
140M93.1Very high82.6Confident109 Ų109123 Ų12354%0.53762%0.619SS.*Hα-helixtrans-61.2-37.7178.4-70-57.3-63.100112.8L136 K138 L143 S144L136-M140 HydrophobicContact CD1-CG 4.12Å; L136-M140 HydrophobicContact CD1-SD 4.48Å; L136-M140 HydrophobicContact CG-CG 4.33Å; L136-M140 VanDerWaalsContact O-CG 3.31Å; L136-M140 WeakPolarHBondContact O-CG 3.36Å; L136-M140 PolarHBondContact O-N 2.95Å; K138-M140 PolarHBondContact O-N 3.02Å; M140-L143 PolarHBondContact O-N 3.48Å; M140-L143 HydrophobicContact SD-CD1 4.13Å; M140-S144 PolarHBondContact O-N 2.8Å
141N90.4Very high80.8Confident100 Ų100125.6 Ų125.654%0.53563%0.634SS.*Hα-helixtrans-66.9-37.7176.4-71.1-29.7000112.3I137 K138 V139 S144I137-N141 VanDerWaalsContact O-CG 3.24Å; I137-N141 PolarHBondContact O-N 2.98Å; I137-N141 VanDerWaalsContact O-N 3.12Å; I137-N141 PolarHBondContact O-ND2 3.43Å; I137-N141 VanDerWaalsContact O-ND2 3.14Å; K138-N141 PolarHBondContact O-N 3.25Å; V139-N141 VanDerWaalsContact C-N 3.3Å; V139-N141 PolarHBondContact O-N 3.33Å; N141-S144 PolarHBondContact O-N 2.74Å; N141-S144 PolarHBondContact O-OG 3.4Å
142D88.8Confident79Confident124 Ų124130.1 Ų130.166%0.66365%0.647SS**Hα-helixtrans-75.4-29.5177.8-95.118.1000113.1K138 V139 S144K138-D142 PolarHBondContact O-N 3.12Å; K138-D142 VanDerWaalsContact O-N 3.08Å; V139-D142 PolarHBondContact O-N 2.93Å; V139-D142 VanDerWaalsContact O-N 3.17Å; D142-S144 VanDerWaalsContact C-N 3.28Å; D142-S144 PolarHBondContact O-N 2.84Å
143L85.9Confident77.3Confident127 Ų127136.8 Ų136.867%0.66567%0.666SS**Hα-helixtrans-67.5-29.1172.7-72.2174.4000112.6V139 M140V139-L143 HydrophobicContact CG1-CD1 4.11Å; V139-L143 HydrophobicContact CG1-CG 4.35Å; V139-L143 WeakPolarHBondContact O-CG 3.13Å; V139-L143 PolarHBondContact O-N 3.46Å; M140-L143 PolarHBondContact O-N 3.48Å; M140-L143 HydrophobicContact SD-CD1 4.13Å
144S78Confident75.5Confident62 Ų62142.1 Ų142.143%0.43468%0.678SS.*SBendtrans-67129174.177.20000108.7M140 N141 D142 R146M140-S144 PolarHBondContact O-N 2.8Å; N141-S144 PolarHBondContact O-N 2.74Å; N141-S144 PolarHBondContact O-OG 3.4Å; D142-S144 VanDerWaalsContact C-N 3.28Å; D142-S144 PolarHBondContact O-N 2.84Å; S144-R146 PolarHBondContact O-N 3.38Å
145P68.6Low73.8Confident120 Ų120140.5 Ų140.578%0.77968%0.678SS**  trans-57.3111.6174.421.6-29.9000106.5S147P145-S147 VanDerWaalsContact C-N 3.35Å; P145-S147 PolarHBondContact O-N 3.31Å
146R59.6Low72Confident200 Ų200144 Ų14476%0.75569%0.693SS**  trans-52.5112.2170.4-89.9-172.2-179.1-1693.3104.5S144 N148S144-R146 PolarHBondContact O-N 3.38Å; R146-N148 VanDerWaalsContact C-N 3.26Å; R146-N148 PolarHBondContact O-N 2.7Å
147S53.9Low70Confident83 Ų83143.8 Ų143.858%0.5870%0.699SS**  trans-58.1103178.464.10000105.3P145 L149P145-S147 VanDerWaalsContact C-N 3.35Å; P145-S147 PolarHBondContact O-N 3.31Å; S147-L149 PolarHBondContact O-N 2.83Å
148N50.4Low68.2Low160 Ų160143.4 Ų143.486%0.85670%0.702SS**  trans-66.620.8165.9-71.4-32.8000110.2R146 R150R146-N148 VanDerWaalsContact C-N 3.26Å; R146-N148 PolarHBondContact O-N 2.7Å; N148-R150 PolarHBondContact O-N 2.72Å
149L52.9Low66.6Low135 Ų135144.4 Ų144.471%0.70771%0.707SS**  trans-54.278.1147-63177.1000107.4S147 K151S147-L149 PolarHBondContact O-N 2.83Å; L149-K151 PolarHBondContact O-N 2.7Å
150R54.5Low64.6Low232 Ų232146 Ų14688%0.87572%0.719SS**  trans-37.596.8155.2-167.8-179.5-165.7-173.25104.4N148 R152N148-R150 PolarHBondContact O-N 2.72Å; R150-R152 PolarHBondContact O-N 2.64Å
151K58.4Low62.9Low202 Ų202144.3 Ų144.388%0.87873%0.729SS**  trans-56.795.9-179.5-78.6-176178.7178.20104.4L149 K153L149-K151 PolarHBondContact O-N 2.7Å; K151-K153 PolarHBondContact O-N 2.91Å
152R59.4Low61.1Low230 Ų230151.5 Ų151.587%0.86875%0.749SS**  trans-61.1112.6-172.7-177.8175.4166.2161.7-3.8103.9R150 R154R150-R152 PolarHBondContact O-N 2.64Å; R152-R154 PolarHBondContact O-N 2.98Å
153K62.5Low59.6Low195 Ų195157.4 Ų157.485%0.84876%0.762SS**  trans-45.1116.6177-132.3178.6-178.2-178.40105.8K151 S155K151-K153 PolarHBondContact O-N 2.91Å; K153-S155 PolarHBondContact O-N 2.93Å
154R58.4Low58.1Low232 Ų232156.2 Ų156.288%0.87577%0.77SS**  trans-56109.1175.7-138.7178.6-167.9173.52.7104.8R152 H156R152-R154 PolarHBondContact O-N 2.98Å; R154-H156 PolarHBondContact O-N 2.89Å
155S61.7Low57Low99 Ų99159 Ų15969%0.69279%0.789SS**  trans-65.5105177.553.40000106K153 S157K153-S155 PolarHBondContact O-N 2.93Å; S155-S157 PolarHBondContact O-N 2.86Å
156H59.4Low56.1Low176 Ų176166.2 Ų166.282%0.81581%0.809SS**  trans-6491.9161.6-96.3-83.5000106.2R154 V158R154-H156 PolarHBondContact O-N 2.89Å; H156-V158 PolarHBondContact O-N 2.93Å
157S54.6Low56Low77 Ų77164.5 Ų164.554%0.53881%0.811SS.*  trans-66.296.8158.453.60000105.8S155 F159S155-S157 PolarHBondContact O-N 2.86Å; S157-F159 PolarHBondContact O-N 2.98Å
158V54.8Low56.1Low121 Ų121168.8 Ų168.873%0.73382%0.824SS**  trans-65.790.8158.8178.70000104.5H156 P160H156-V158 PolarHBondContact O-N 2.93Å; V158-P160 WeakPolarHBondContact O-CD 3.2Å
159F58.3Low56.4Low177 Ų177169.3 Ų169.378%0.77682%0.822SS**  trans-74.9108.8157.6-78.7-81.8000105.5S157 G161S157-F159 PolarHBondContact O-N 2.98Å; F159-G161 PolarHBondContact O-N 3.21Å
160P52.3Low56.6Low106 Ų106171.3 Ų171.369%0.68883%0.829SS**  trans-70.8116.5166.7-2.622.4000105.5V158 R162V158-P160 WeakPolarHBondContact O-CD 3.2Å; P160-R162 PolarHBondContact O-N 3.06Å
161G58Low56.7Low73 Ų73167.5 Ų167.575%0.75383%0.826SS**  trans-53.1113.7173.600000109.8F159 R163F159-G161 PolarHBondContact O-N 3.21Å; G161-R163 PolarHBondContact O-N 3.35Å
162R52.5Low56.6Low251 Ų251165.2 Ų165.295%0.94782%0.822SS**  trans-64.1105.6163.7-79.4-173.2179.2-171.40.1106.9P160 A164P160-R162 PolarHBondContact O-N 3.06Å; R162-A164 PolarHBondContact O-N 3.01Å
163R57.6Low56.4Low247 Ų247160.6 Ų160.693%0.93282%0.819SS**PPolyproline II helixtrans-67.3119.2160.8-72.5-174.7-170.2176.13.2107.2G161 S165G161-R163 PolarHBondContact O-N 3.35Å; R163-S165 PolarHBondContact O-N 3.48Å
164A54.4Low55.9Low102 Ų102157.9 Ų157.984%0.84382%0.817SS**PPolyproline II helixtrans-68.2123.1161.500000107.8R162R162-A164 PolarHBondContact O-N 3.01Å
165S55.4Low55.7Low120 Ų120151.8 Ų151.884%0.83981%0.812SS**PPolyproline II helixtrans-85.3136.9162.3-173.30000108.3R163R163-S165 PolarHBondContact O-N 3.48Å
166K49.8Very low55.2Low272 Ų272156.5 Ų156.5100%1.18382%0.823SS**  trans-60.60162.1-83.2178.7172.5179.70110.7

Retrieved 166 of 166 residues in 124 ms (Link to these results)