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Interleukin-2

Cytokine produced by activated CD4-positive helper T-cells and to a lesser extend activated CD8-positive T-cells and natural killer (NK) cells that plays pivotal roles in the immune response and tolerance. Binds to a receptor complex composed of either the high-affinity trimeric IL-2R (IL2RA/CD25, IL2RB/CD122 and IL2RG/CD132) or the low-affinity dimeric IL-2R (IL2RB and IL2RG). Interaction with the receptor leads to oligomerization and conformation changes in the IL-2R subunits resulting in downstream signaling starting with phosphorylation of JAK1 and JAK3. In turn, JAK1 and JAK3 phosphorylate the receptor to form a docking site leading to the phosphorylation of several substrates including STAT5. This process leads to activation of several pathways including STAT, phosphoinositide-3-kinase/PI3K and mitogen-activated protein kinase/MAPK pathways. Functions as a T-cell growth factor and can increase NK-cell cytolytic activity as well. Promotes strong proliferation of activated B-cells and subsequently immunoglobulin production. Plays a pivotal role in regulating the adaptive immune system by controlling the survival and proliferation of regulatory T-cells, which are required for the maintenance of immune tolerance. Moreover, participates in the differentiation and homeostasis of effector T-cell subsets, including Th1, Th2, Th17 as well as memory CD8-positive T-cells.

AlphaFold DB , UniProt , Accession P68290, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene IL2, Length 154 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
1M51.5Low55.3Low231 Ų231134.4 Ų134.4100%1.13867%0.673SS**  036.80-146.8165.793.200112.5
2Y54Low54.9Low185 Ų185133.3 Ų133.373%0.72567%0.67SS**  trans-118.5-12-170.9-134.2-93.4000114.4
3R54.2Low54.8Low228 Ų228128.4 Ų128.486%0.8666%0.656SS**Hα-helixtrans-83.5-22-177.8-72.7-157.8175.2-158.40.6114.5
4M57.9Low54.4Low162 Ų162127.4 Ų127.480%0.79865%0.651SS**Hα-helixtrans-77.4-27.5179.7-73.3-71.9-132.800113.2
5Q54.4Low54.2Low122 Ų122123.1 Ų123.157%0.5764%0.643SS**Hα-helixtrans-77.5-26.6-177.4-73.7175.7-31.800113.5L7 S8Q5-L7 VanDerWaalsContact C-N 3.34Å; Q5-S8 PolarHBondContact O-OG 2.95Å
6L55.2Low53.9Low114 Ų114123.7 Ų123.760%0.59765%0.646SS**Hα-helixtrans-68.8-33.3177.1-95.6149.5000112.4
7L53.7Low53.6Low122 Ų122123.2 Ų123.264%0.63965%0.65SS**Hα-helixtrans-72.5-32.7179.8-72.7165.5000112.6Q5 C9 I10 A11Q5-L7 VanDerWaalsContact C-N 3.34Å; L7-C9 PolarHBondContact O-N 3.44Å; L7-I10 PolarHBondContact O-N 3.32Å; L7-A11 PolarHBondContact O-N 3.49Å
8S57.7Low53.3Low62 Ų62122.5 Ų122.543%0.43465%0.651SS.*Hα-helixtrans-68.9-32.3177.658.80000113.1Q5 A11 L12Q5-S8 PolarHBondContact O-OG 2.95Å; S8-A11 PolarHBondContact O-N 2.76Å; S8-L12 PolarHBondContact O-N 3.3Å
9C57.8Low52.9Low87 Ų87123.4 Ų123.459%0.58866%0.656SS**Hα-helixtrans-70.4-32.1177.6-81.90000113L7 S13L7-C9 PolarHBondContact O-N 3.44Å; C9-S13 PolarHBondContact O-N 3.24Å; C9-S13 PolarHBondContact O-OG 3.47Å
10I56.4Low52.5Low99 Ų99122.1 Ų122.151%0.50866%0.657SS.*Hα-helixtrans-72.4-37.2176.9-60.1171.6000110.4L7 S13 L14L7-I10 PolarHBondContact O-N 3.32Å; I10-S13 PolarHBondContact O-N 3.2Å; I10-S13 PolarHBondContact O-OG 3.21Å; I10-L14 HydrophobicContact CG2-CD1 4.03Å; I10-L14 WeakPolarHBondContact O-CD1 3.45Å; I10-L14 PolarHBondContact O-N 3.48Å
11A55.2Low52.2Low66 Ų66119.9 Ų119.955%0.54566%0.656SS.*Hα-helixtrans-65.9-39.9177.400000113L7 S8 A15L7-A11 PolarHBondContact O-N 3.49Å; S8-A11 PolarHBondContact O-N 2.76Å; A11-A15 PolarHBondContact O-N 3.3Å
12L51Low52.1Low122 Ų122113.6 Ų113.664%0.63963%0.632SS**Hα-helixtrans-72.2-29.3179.8-92.6153.6000113.5S8S8-L12 PolarHBondContact O-N 3.3Å
13S52.7Low52.1Low69 Ų69108.8 Ų108.848%0.48362%0.622SS.*Hα-helixtrans-78.6-30.1176.338.60000112.6C9 I10C9-S13 PolarHBondContact O-N 3.24Å; C9-S13 PolarHBondContact O-OG 3.47Å; I10-S13 PolarHBondContact O-N 3.2Å; I10-S13 PolarHBondContact O-OG 3.21Å
14L50.2Low52.7Low114 Ų114102.3 Ų102.360%0.59761%0.612SS**Hα-helixtrans-71.5-35.1173.2-99.587.6000113.3I10 L16 V17I10-L14 HydrophobicContact CG2-CD1 4.03Å; I10-L14 WeakPolarHBondContact O-CD1 3.45Å; I10-L14 PolarHBondContact O-N 3.48Å; L14-L16 VanDerWaalsContact C-N 3.29Å; L14-L16 PolarHBondContact O-N 3.2Å; L14-V17 PolarHBondContact O-N 3.33Å
15A50.5Low53.1Low64 Ų6498.4 Ų98.453%0.52960%0.6SS.*Hα-helixtrans-67.7-25.3-176.900000114A11A11-A15 PolarHBondContact O-N 3.3Å
16L49.3Very low54.4Low132 Ų13294.4 Ų94.469%0.69159%0.586SS**Hα-helixtrans-78.5-20.1175.9-97.9112.4000113.5L14L14-L16 VanDerWaalsContact C-N 3.29Å; L14-L16 PolarHBondContact O-N 3.2Å
17V49.9Very low56Low116 Ų11690.9 Ų90.970%0.70357%0.569SS**Hα-helixtrans-84.7-29.6-175.3-1800000112L14L14-V17 PolarHBondContact O-N 3.33Å
18T48.5Very low57.8Low110 Ų11091.7 Ų91.768%0.67557%0.567SS**SBendtrans-91.1-12-171.463.10000115.6
19N45.2Very low59.5Low139 Ų13993.9 Ų93.974%0.74357%0.569SS**  trans-116.615.1-173.6-89.521.2000115.1A21N19-A21 PolarHBondContact O-N 3.18Å
20S44.7Very low61.2Low98 Ų9891.3 Ų91.369%0.68555%0.551SS**  trans-74.979.4166.3-64.50000108.5
21A45.4Very low63.1Low75 Ų7588.9 Ų88.962%0.6254%0.537SS*.PPolyproline II helixtrans-47.6132.9155.900000107N19 T23N19-A21 PolarHBondContact O-N 3.18Å; A21-T23 PolarHBondContact O-N 2.85Å
22P49.8Very low65Low99 Ų9990.2 Ų90.264%0.64354%0.535SS*.PPolyproline II helixtrans-49116.4179.4-25.732.6000108.9S26P22-S26 VanDerWaalsContact CA-OG 3.3Å; P22-S26 WeakPolarHBondContact CA-OG 3.43Å; P22-S26 VanDerWaalsContact CB-OG 3.32Å; P22-S26 WeakPolarHBondContact CB-OG 3.48Å
23T54.7Low67.2Low84 Ų8485.5 Ų85.552%0.51551%0.51SS..PPolyproline II helixtrans-62.1150.3176.550.50000107.8A21 S25 S26 T27A21-T23 PolarHBondContact O-N 2.85Å; T23-S25 PolarHBondContact O-N 3.01Å; T23-S25 PolarHBondContact OG1-OG 3.45Å; T23-S26 PolarHBondContact N-OG 2.75Å; T23-S26 VanDerWaalsContact N-OG 3.1Å; T23-S26 WeakPolarHBondContact O-CA 3.3Å; T23-S26 PolarHBondContact O-N 3.46Å; T23-S26 PolarHBondContact O-OG 3.12Å; T23-T27 PolarHBondContact O-N 2.79Å; T23-T27 VanDerWaalsContact O-N 3.14Å
24S66.1Low69.4Low93 Ų9382.2 Ų82.265%0.6549%0.487SS*.Hα-helixtrans-53-27.7177.358.50000112.9K28S24-K28 WeakPolarHBondContact O-CG 3.32Å; S24-K28 PolarHBondContact O-N 2.98Å; S24-K28 VanDerWaalsContact O-N 3.15Å
25S66.7Low71.7Confident79 Ų7980 Ų8055%0.55247%0.473SS*.Hα-helixtrans-64.9-40.8170.857.30000113.8T23 K29T23-S25 PolarHBondContact O-N 3.01Å; T23-S25 PolarHBondContact OG1-OG 3.45Å; S25-K29 WeakPolarHBondContact O-CB 3.32Å; S25-K29 PolarHBondContact O-N 3.02Å; S25-K29 VanDerWaalsContact O-N 3.1Å
26S82.1Confident73.9Confident38 Ų3881.9 Ų81.927%0.26647%0.471SS..Hα-helixtrans-69.9-41.7177.666.40000110.8P22 T23 K28 K29 T30P22-S26 VanDerWaalsContact CA-OG 3.3Å; P22-S26 WeakPolarHBondContact CA-OG 3.43Å; P22-S26 VanDerWaalsContact CB-OG 3.32Å; P22-S26 WeakPolarHBondContact CB-OG 3.48Å; T23-S26 PolarHBondContact N-OG 2.75Å; T23-S26 VanDerWaalsContact N-OG 3.1Å; T23-S26 WeakPolarHBondContact O-CA 3.3Å; T23-S26 PolarHBondContact O-N 3.46Å; T23-S26 PolarHBondContact O-OG 3.12Å; S26-K28 PolarHBondContact O-N 3.24Å; S26-K29 WeakPolarHBondContact O-CB 3.11Å; S26-K29 PolarHBondContact O-N 2.95Å; S26-T30 PolarHBondContact O-N 3.1Å; S26-T30 PolarHBondContact O-OG1 3.5Å; S26-T30 VanDerWaalsContact O-OG1 3.06Å
27T87.9Confident76.3Confident41 Ų4175.6 Ų75.625%0.25244%0.438SS..Hα-helixtrans-58.4-47.4176.3-57.70000111.7T23 K29 T30 Q31 L153T23-T27 PolarHBondContact O-N 2.79Å; T23-T27 VanDerWaalsContact O-N 3.14Å; T27-K29 VanDerWaalsContact C-N 3.33Å; T27-K29 PolarHBondContact O-N 2.96Å; T27-T30 PolarHBondContact O-N 3.07Å; T27-Q31 WeakPolarHBondContact O-CB 3.43Å; T27-Q31 PolarHBondContact O-N 3.04Å; T27-L153 HydrophobicContact CG2-CB 4.25Å; T27-L153 HydrophobicContact CG2-CD2 4.14Å
28K92.1Very high78.6Confident138 Ų13871.1 Ų71.160%0.641%0.41SS*.Hα-helixtrans-61.3-40.7176.4-74.5179.9-179.8-173.80112.5S24 S26 Q31 L32S24-K28 WeakPolarHBondContact O-CG 3.32Å; S24-K28 PolarHBondContact O-N 2.98Å; S24-K28 VanDerWaalsContact O-N 3.15Å; S26-K28 PolarHBondContact O-N 3.24Å; K28-Q31 PolarHBondContact O-N 3.43Å; K28-L32 WeakPolarHBondContact O-CG 3.32Å; K28-L32 PolarHBondContact O-N 3.23Å
29K93.7Very high80.9Confident109 Ų10970.6 Ų70.647%0.47440%0.402SS..Hα-helixtrans-63.6-47.3177.3-176.3-179175.8-168.90111.4S25 S26 T27 Q31 L32 Q33 E116S25-K29 WeakPolarHBondContact O-CB 3.32Å; S25-K29 PolarHBondContact O-N 3.02Å; S25-K29 VanDerWaalsContact O-N 3.1Å; S26-K29 WeakPolarHBondContact O-CB 3.11Å; S26-K29 PolarHBondContact O-N 2.95Å; T27-K29 VanDerWaalsContact C-N 3.33Å; T27-K29 PolarHBondContact O-N 2.96Å; K29-Q31 VanDerWaalsContact C-N 3.31Å; K29-Q31 PolarHBondContact O-N 2.78Å; K29-L32 PolarHBondContact O-N 3.28Å; K29-Q33 WeakPolarHBondContact O-CG 3.5Å; K29-Q33 PolarHBondContact O-N 3.26Å; K29-E116 WeakPolarHBondContact CE-OE1 3.47Å; K29-E116 IonicContact NZ-OE1 2.61Å; K29-E116 PolarHBondContact NZ-OE1 3.19Å
30T94Very high83.3Confident33 Ų3365.2 Ų65.220%0.20237%0.374CS..Hα-helixtrans-59.1-42.8175.9-61.40000111.5S26 T27 Q33 L34 L73 L117 L153S26-T30 PolarHBondContact O-N 3.1Å; S26-T30 PolarHBondContact O-OG1 3.5Å; S26-T30 VanDerWaalsContact O-OG1 3.06Å; T27-T30 PolarHBondContact O-N 3.07Å; T30-Q33 PolarHBondContact O-N 3.02Å; T30-L34 HydrophobicContact CG2-CD1 4.04Å; T30-L34 WeakPolarHBondContact O-CG 3.42Å; T30-L34 PolarHBondContact O-N 2.65Å; T30-L73 HydrophobicContact CG2-CD1 3.8Å; T30-L117 HydrophobicContact CG2-CD2 3.87Å; T30-L153 HydrophobicContact CG2-CD1 3.96Å
31Q95.5Very high85.8Confident47 Ų4760.5 Ų60.522%0.2234%0.341CS..Hα-helixtrans-60-50.9175.9-179-178.1-12.700111.7T27 K28 K29 Q33 L34 E35 L153T27-Q31 WeakPolarHBondContact O-CB 3.43Å; T27-Q31 PolarHBondContact O-N 3.04Å; K28-Q31 PolarHBondContact O-N 3.43Å; K29-Q31 VanDerWaalsContact C-N 3.31Å; K29-Q31 PolarHBondContact O-N 2.78Å; Q31-Q33 VanDerWaalsContact C-N 3.26Å; Q31-Q33 PolarHBondContact O-N 3.28Å; Q31-L34 PolarHBondContact O-N 3.24Å; Q31-L34 VanDerWaalsContact O-N 3.16Å; Q31-E35 WeakPolarHBondContact CG-OE1 3.37Å; Q31-E35 PolarHBondContact NE2-OE1 3.11Å; Q31-E35 WeakPolarHBondContact O-CG 3.31Å; Q31-E35 PolarHBondContact O-N 2.93Å; Q31-L153 HydrophobicContact CB-CD1 4.25Å
32L96.2Very high88.2Confident94 Ų9460 Ų6049%0.49233%0.325SS..Hα-helixtrans-58.6-38.6179-72.7169.8000112.3K28 K29 E35 H36K28-L32 WeakPolarHBondContact O-CG 3.32Å; K28-L32 PolarHBondContact O-N 3.23Å; K29-L32 PolarHBondContact O-N 3.28Å; L32-E35 PolarHBondContact O-N 2.79Å; L32-H36 PolarHBondContact O-N 2.62Å
33Q97.2Very high90.3Very high23 Ų2360.1 Ų60.111%0.10732%0.319CS..Hα-helixtrans-67.4-41.8176.8-77.6167.2-20.400112.7K29 T30 Q31 E35 H36 L37 I113 E116 L117K29-Q33 WeakPolarHBondContact O-CG 3.5Å; K29-Q33 PolarHBondContact O-N 3.26Å; T30-Q33 PolarHBondContact O-N 3.02Å; Q31-Q33 VanDerWaalsContact C-N 3.26Å; Q31-Q33 PolarHBondContact O-N 3.28Å; Q33-E35 VanDerWaalsContact C-N 3.32Å; Q33-H36 PolarHBondContact O-N 2.04Å; Q33-L37 WeakPolarHBondContact O-CB 3.33Å; Q33-L37 PolarHBondContact O-N 3.49Å; Q33-I113 HydrophobicContact CB-CG2 4.17Å; Q33-I113 WeakPolarHBondContact O-CG2 3.32Å; Q33-E116 PolarHBondContact NE2-OE1 3.08Å; Q33-E116 PolarHBondContact NE2-OE2 2.96Å; Q33-L117 HydrophobicContact CB-CD1 4.25Å; Q33-L117 HydrophobicContact CB-CD2 3.7Å; Q33-L117 HydrophobicContact CB-CG 4Å
34L97.6Very high92Very high0 Ų056.1 Ų56.10%030%0.295CS..Hα-helixtrans-64.4-37.3173.7-75.9162.4000112T30 Q31 L37 L38 L73 L117 I149 I150 L153T30-L34 HydrophobicContact CG2-CD1 4.04Å; T30-L34 WeakPolarHBondContact O-CG 3.42Å; T30-L34 PolarHBondContact O-N 2.65Å; Q31-L34 PolarHBondContact O-N 3.24Å; Q31-L34 VanDerWaalsContact O-N 3.16Å; L34-L37 PolarHBondContact O-N 3.32Å; L34-L38 VanDerWaalsContact O-CB 3.23Å; L34-L38 WeakPolarHBondContact O-CB 3.49Å; L34-L38 PolarHBondContact O-N 2.95Å; L34-L73 HydrophobicContact CD1-CD2 4.3Å; L34-L73 HydrophobicContact CD2-CD2 4Å; L34-L73 HydrophobicContact CG-CD2 4.49Å; L34-L117 HydrophobicContact CD2-CD1 3.87Å; L34-L117 HydrophobicContact CG-CD1 4.06Å; L34-L117 HydrophobicContact CG-CD2 4.13Å; L34-I149 HydrophobicContact CD1-CB 3.97Å; L34-I149 HydrophobicContact CD1-CG2 3.43Å; L34-I149 VanDerWaalsContact CD1-CG2 3.43Å; L34-I149 HydrophobicContact CD2-CB 4.49Å; L34-I150 HydrophobicContact CB-CD1 3.9Å; L34-I150 HydrophobicContact CB-CG1 3.64Å; L34-I150 HydrophobicContact CD1-CG1 4.19Å; L34-L153 HydrophobicContact CD1-CD1 3.72Å
35E97.8Very high93.3Very high67 Ų6752.4 Ų52.431%0.31327%0.267SS..Hα-helixtrans-63.5-43.4174.9-73.9172.1-174.100111.3Q31 L32 Q33 L38 L39 I150Q31-E35 WeakPolarHBondContact CG-OE1 3.37Å; Q31-E35 PolarHBondContact NE2-OE1 3.11Å; Q31-E35 WeakPolarHBondContact O-CG 3.31Å; Q31-E35 PolarHBondContact O-N 2.93Å; L32-E35 PolarHBondContact O-N 2.79Å; Q33-E35 VanDerWaalsContact C-N 3.32Å; E35-L38 PolarHBondContact O-N 3.17Å; E35-L39 VanDerWaalsContact O-CG 3.29Å; E35-L39 WeakPolarHBondContact O-CG 2.99Å; E35-L39 PolarHBondContact O-N 3.06Å; E35-I150 HydrophobicContact CG-CD1 4.04Å
36H98Very high94.4Very high104 Ų10452.9 Ų52.948%0.48126%0.264SS..Hα-helixtrans-63.3-46.7173.8-68.4169.5000112.2L32 Q33 L38 L39 D40 I113L32-H36 PolarHBondContact O-N 2.62Å; Q33-H36 PolarHBondContact O-N 2.04Å; H36-L38 VanDerWaalsContact C-N 3.3Å; H36-L38 PolarHBondContact O-N 3.11Å; H36-L39 PolarHBondContact O-N 2.88Å; H36-D40 PolarHBondContact O-N 3.44Å; H36-I113 HydrophobicContact CB-CD1 3.81Å
37L98.4Very high94.6Very high0 Ų052 Ų520%026%0.261CS..Hα-helixtrans-57.8-44.2176.3178.757.8000111.6Q33 L34 L39 D40 L41 L76 L79 I110 I113 V114 L117Q33-L37 WeakPolarHBondContact O-CB 3.33Å; Q33-L37 PolarHBondContact O-N 3.49Å; L34-L37 PolarHBondContact O-N 3.32Å; L37-L39 PolarHBondContact O-N 3.23Å; L37-D40 PolarHBondContact O-N 3.09Å; L37-L41 HydrophobicContact CD1-CD1 4.14Å; L37-L41 HydrophobicContact CD1-CG 4.18Å; L37-L41 HydrophobicContact CG-CD1 4.05Å; L37-L41 VanDerWaalsContact O-CG 3.26Å; L37-L41 WeakPolarHBondContact O-CG 3.21Å; L37-L41 PolarHBondContact O-N 3.28Å; L37-L76 HydrophobicContact CD2-CD1 4.5Å; L37-L76 HydrophobicContact CD2-CD2 3.96Å; L37-L79 HydrophobicContact CD1-CD2 4.33Å; L37-I110 HydrophobicContact CD1-CB 4.44Å; L37-I110 HydrophobicContact CD1-CG1 4.33Å; L37-I110 HydrophobicContact CD1-CG2 3.74Å; L37-I113 HydrophobicContact CB-CG2 3.91Å; L37-V114 HydrophobicContact CD1-CG2 4.22Å; L37-V114 HydrophobicContact CD2-CG2 4.28Å; L37-L117 HydrophobicContact CD2-CD1 4.06Å
38L98.4Very high94.5Very high23 Ų2350.4 Ų50.412%0.1225%0.25CS..Hα-helixtrans-58.8-46.6176.717461.6000111.6L34 E35 H36 L41 Q42 I143 C146 Q147 I150L34-L38 VanDerWaalsContact O-CB 3.23Å; L34-L38 WeakPolarHBondContact O-CB 3.49Å; L34-L38 PolarHBondContact O-N 2.95Å; E35-L38 PolarHBondContact O-N 3.17Å; H36-L38 VanDerWaalsContact C-N 3.3Å; H36-L38 PolarHBondContact O-N 3.11Å; L38-L41 PolarHBondContact O-N 3.15Å; L38-Q42 HydrophobicContact CD1-CG 4.25Å; L38-Q42 WeakPolarHBondContact O-CB 3.41Å; L38-Q42 VanDerWaalsContact O-CG 3.25Å; L38-Q42 WeakPolarHBondContact O-CG 3.12Å; L38-Q42 PolarHBondContact O-N 3.31Å; L38-I143 HydrophobicContact CD1-CB 4.18Å; L38-I143 HydrophobicContact CD1-CG1 4.22Å; L38-I143 HydrophobicContact CD1-CG2 3.71Å; L38-C146 HydrophobicContact CB-CB 4.06Å; L38-C146 HydrophobicContact CD1-CB 4.28Å; L38-Q147 HydrophobicContact CD1-CG 4.09Å; L38-Q147 HydrophobicContact CD2-CG 4.09Å; L38-I150 HydrophobicContact CD2-CD1 4.1Å
39L97.4Very high94.1Very high98 Ų9848.3 Ų48.351%0.51325%0.246SC..Hα-helixtrans-63.3-43.1178.8-72.7170.6000111.9E35 H36 L37 Q42 M43E35-L39 VanDerWaalsContact O-CG 3.29Å; E35-L39 WeakPolarHBondContact O-CG 2.99Å; E35-L39 PolarHBondContact O-N 3.06Å; H36-L39 PolarHBondContact O-N 2.88Å; L37-L39 PolarHBondContact O-N 3.23Å; L39-Q42 PolarHBondContact O-N 2.78Å; L39-M43 WeakPolarHBondContact O-CB 2.97Å; L39-M43 PolarHBondContact O-N 3.18Å
40D96.1Very high93.4Very high26 Ų2649.5 Ų49.514%0.13926%0.257CS..Hα-helixtrans-63.9-44.9178.5-73.2-24000111.3H36 L37 Q42 M43 I44 L106 I110H36-D40 PolarHBondContact O-N 3.44Å; L37-D40 PolarHBondContact O-N 3.09Å; D40-Q42 VanDerWaalsContact C-N 3.35Å; D40-Q42 PolarHBondContact O-N 3.46Å; D40-M43 WeakPolarHBondContact O-CB 3.3Å; D40-M43 PolarHBondContact O-N 3.14Å; D40-I44 WeakPolarHBondContact O-CG1 3.48Å; D40-I44 PolarHBondContact O-N 2.84Å; D40-I44 VanDerWaalsContact O-N 3.08Å; D40-L106 HydrophobicContact CB-CD1 3.81Å; D40-L106 WeakPolarHBondContact OD1-CD1 3.36Å; D40-I110 HydrophobicContact CB-CD1 3.92Å; D40-I110 HydrophobicContact CB-CG1 3.63Å
41L97.3Very high92.3Very high0 Ų049.5 Ų49.50%025%0.254CS..Hα-helixtrans-62.1-41.2175.5-68.6170.8000112.1L37 L38 M43 I44 L45 L139 W142 I143L37-L41 HydrophobicContact CD1-CD1 4.14Å; L37-L41 HydrophobicContact CD1-CG 4.18Å; L37-L41 HydrophobicContact CG-CD1 4.05Å; L37-L41 VanDerWaalsContact O-CG 3.26Å; L37-L41 WeakPolarHBondContact O-CG 3.21Å; L37-L41 PolarHBondContact O-N 3.28Å; L38-L41 PolarHBondContact O-N 3.15Å; L41-M43 VanDerWaalsContact C-N 3.34Å; L41-I44 PolarHBondContact O-N 2.95Å; L41-L45 PolarHBondContact O-N 2.96Å; L41-L139 HydrophobicContact CD2-CD2 3.89Å; L41-W142 HydrophobicContact CD1-CB 3.77Å; L41-I143 HydrophobicContact CB-CD1 4.25Å; L41-I143 HydrophobicContact CB-CG1 3.73Å; L41-I143 HydrophobicContact CD1-CG1 4.41Å
42Q95.8Very high90.8Very high63 Ų6357.3 Ų57.329%0.29429%0.287SS..Hα-helixtrans-65.2-37175.1-76176.1-13.100112.1L38 L39 D40 I44 L45 N46 I143L38-Q42 HydrophobicContact CD1-CG 4.25Å; L38-Q42 WeakPolarHBondContact O-CB 3.41Å; L38-Q42 VanDerWaalsContact O-CG 3.25Å; L38-Q42 WeakPolarHBondContact O-CG 3.12Å; L38-Q42 PolarHBondContact O-N 3.31Å; L39-Q42 PolarHBondContact O-N 2.78Å; D40-Q42 VanDerWaalsContact C-N 3.35Å; D40-Q42 PolarHBondContact O-N 3.46Å; Q42-I44 VanDerWaalsContact C-N 3.35Å; Q42-L45 PolarHBondContact O-N 3.03Å; Q42-N46 VanDerWaalsContact O-CB 3.25Å; Q42-N46 WeakPolarHBondContact O-CB 3.49Å; Q42-N46 PolarHBondContact O-N 2.92Å; Q42-N46 PolarHBondContact O-ND2 3.15Å; Q42-I143 HydrophobicContact CG-CD1 3.94Å; Q42-I143 HydrophobicContact CG-CG1 4.26Å
43M92.6Very high89.4Confident103 Ų10354.8 Ų54.851%0.50727%0.274SS..Hα-helixtrans-61.6-44.5175.6-170-177.6-56.900111L39 D40 L41 G47 L100 L106L39-M43 WeakPolarHBondContact O-CB 2.97Å; L39-M43 PolarHBondContact O-N 3.18Å; D40-M43 WeakPolarHBondContact O-CB 3.3Å; D40-M43 PolarHBondContact O-N 3.14Å; L41-M43 VanDerWaalsContact C-N 3.34Å; M43-G47 PolarHBondContact O-N 3.3Å; M43-L100 HydrophobicContact CG-CD2 4.32Å; M43-L106 HydrophobicContact SD-CD1 4.38Å; M43-L106 HydrophobicContact SD-CD2 4.5Å
44I92.2Very high87.6Confident0 Ų058.9 Ų58.90%030%0.303CS..Hα-helixtrans-60.2-51.9174.7-61.7173.7000110.1D40 L41 Q42 N46 G47 I48 L86 L90 L106 I107 I110 L139D40-I44 WeakPolarHBondContact O-CG1 3.48Å; D40-I44 PolarHBondContact O-N 2.84Å; D40-I44 VanDerWaalsContact O-N 3.08Å; L41-I44 PolarHBondContact O-N 2.95Å; Q42-I44 VanDerWaalsContact C-N 3.35Å; I44-N46 VanDerWaalsContact C-N 3.34Å; I44-N46 PolarHBondContact O-N 3.2Å; I44-G47 PolarHBondContact O-N 3.24Å; I44-G47 VanDerWaalsContact O-N 3.13Å; I44-I48 HydrophobicContact CG2-CD1 3.86Å; I44-I48 WeakPolarHBondContact O-CG1 3.28Å; I44-I48 PolarHBondContact O-N 3.27Å; I44-L86 HydrophobicContact CD1-CD2 4.24Å; I44-L90 HydrophobicContact CD1-CD1 4.26Å; I44-L90 HydrophobicContact CG2-CD1 4.02Å; I44-L90 HydrophobicContact CG2-CD2 3.8Å; I44-L106 HydrophobicContact CD1-CD2 4.07Å; I44-L106 HydrophobicContact CD1-CG 4.36Å; I44-L106 HydrophobicContact CG1-CD2 3.44Å; I44-L106 VanDerWaalsContact CG1-CD2 3.44Å; I44-L106 HydrophobicContact CG1-CG 4.22Å; I44-I107 HydrophobicContact CD1-CD1 4.21Å; I44-I110 HydrophobicContact CD1-CD1 3.6Å; I44-L139 HydrophobicContact CB-CD1 4.26Å; I44-L139 HydrophobicContact CB-CD2 4.31Å; I44-L139 HydrophobicContact CG2-CD1 3.63Å; I44-L139 HydrophobicContact CG2-CD2 4.09Å
45L92.3Very high86Confident15 Ų1565.4 Ų65.48%0.07933%0.331CS..Hα-helixtrans-59.4-44.1-178.118062.2000112.1L41 Q42 G47 I48 N49 V136 L139 N140 I143L41-L45 PolarHBondContact O-N 2.96Å; Q42-L45 PolarHBondContact O-N 3.03Å; L45-G47 VanDerWaalsContact C-N 3.34Å; L45-G47 PolarHBondContact O-N 3.38Å; L45-I48 PolarHBondContact O-N 3.12Å; L45-N49 WeakPolarHBondContact O-CB 3.35Å; L45-N49 PolarHBondContact O-N 3.34Å; L45-N49 PolarHBondContact O-ND2 2.66Å; L45-V136 HydrophobicContact CD1-CG1 4.16Å; L45-V136 HydrophobicContact CD1-CG2 4.48Å; L45-L139 HydrophobicContact CB-CB 4.46Å; L45-L139 HydrophobicContact CB-CD1 4.12Å; L45-L139 HydrophobicContact CD1-CB 4.42Å; L45-L139 HydrophobicContact CD1-CD1 4.29Å; L45-N140 WeakPolarHBondContact CD2-OD1 3.4Å; L45-I143 HydrophobicContact CB-CD1 4.34Å; L45-I143 HydrophobicContact CD2-CD1 3.71Å
46N89.5Confident84.6Confident89 Ų8962.7 Ų62.748%0.47632%0.319SS..Hα-helixtrans-64.3-39.1176.8-73.6-24.7000111.7Q42 I44 I48 N50Q42-N46 VanDerWaalsContact O-CB 3.25Å; Q42-N46 WeakPolarHBondContact O-CB 3.49Å; Q42-N46 PolarHBondContact O-N 2.92Å; Q42-N46 PolarHBondContact O-ND2 3.15Å; I44-N46 VanDerWaalsContact C-N 3.34Å; I44-N46 PolarHBondContact O-N 3.2Å; N46-I48 VanDerWaalsContact C-N 3.32Å; N46-I48 PolarHBondContact O-N 3.49Å; N46-N50 WeakPolarHBondContact O-CB 3.36Å; N46-N50 PolarHBondContact O-N 3.28Å; N46-N50 VanDerWaalsContact O-N 3.13Å; N46-N50 PolarHBondContact O-ND2 3.32Å
47G86.1Confident83.3Confident20 Ų2062 Ų6221%0.20632%0.322CS..Hα-helixtrans-57.2-47172.800000111.5M43 I44 L45 F98M43-G47 PolarHBondContact O-N 3.3Å; I44-G47 PolarHBondContact O-N 3.24Å; I44-G47 VanDerWaalsContact O-N 3.13Å; L45-G47 VanDerWaalsContact C-N 3.34Å; L45-G47 PolarHBondContact O-N 3.38Å; G47-F98 WeakPolarHBondContact O-CE2 3.45Å
48I85.4Confident82.1Confident6 Ų671.9 Ų71.93%0.03136%0.359CS..Hα-helixtrans-64.1-50.7-179.9-65.7167.4000111.5I44 L45 N46 N50 Y51 L56 M59 L60 L90 I135 V136 L139I44-I48 HydrophobicContact CG2-CD1 3.86Å; I44-I48 WeakPolarHBondContact O-CG1 3.28Å; I44-I48 PolarHBondContact O-N 3.27Å; L45-I48 PolarHBondContact O-N 3.12Å; N46-I48 VanDerWaalsContact C-N 3.32Å; N46-I48 PolarHBondContact O-N 3.49Å; I48-N50 VanDerWaalsContact C-N 3.32Å; I48-N50 PolarHBondContact O-N 2.9Å; I48-Y51 PolarHBondContact O-N 2.96Å; I48-L56 HydrophobicContact CG2-CD2 4.27Å; I48-M59 HydrophobicContact CD1-CE 3.41Å; I48-M59 VanDerWaalsContact CD1-CE 3.41Å; I48-M59 HydrophobicContact CG1-CE 3.4Å; I48-M59 VanDerWaalsContact CG1-CE 3.4Å; I48-M59 HydrophobicContact CG1-SD 4.44Å; I48-L60 HydrophobicContact CG2-CD2 4.18Å; I48-L90 HydrophobicContact CD1-CD2 4.42Å; I48-I135 HydrophobicContact CD1-CD1 3.8Å; I48-I135 HydrophobicContact CD1-CG1 3.77Å; I48-I135 HydrophobicContact CD1-CG2 4.24Å; I48-V136 HydrophobicContact CG2-CG2 4.23Å; I48-L139 HydrophobicContact CD1-CD1 3.53Å
49N84.7Confident81.2Confident94 Ų9471 Ų7150%0.50336%0.355SS..Hα-helixtrans-67.2-30.8-174.5-74.1-22.3000113.3L45 Y51L45-N49 WeakPolarHBondContact O-CB 3.35Å; L45-N49 PolarHBondContact O-N 3.34Å; L45-N49 PolarHBondContact O-ND2 2.66Å; N49-Y51 PolarHBondContact O-N 2.84Å
50N79.1Confident80.3Confident135 Ų13569.7 Ų69.772%0.72235%0.347SS*.THydrogen-bonded Turntrans-79.5-4.4178.8-73.7-45.5000113.5N46 I48N46-N50 WeakPolarHBondContact O-CB 3.36Å; N46-N50 PolarHBondContact O-N 3.28Å; N46-N50 VanDerWaalsContact O-N 3.13Å; N46-N50 PolarHBondContact O-ND2 3.32Å; I48-N50 VanDerWaalsContact C-N 3.32Å; I48-N50 PolarHBondContact O-N 2.9Å
51Y71.4Confident79.8Confident32 Ų3272.8 Ų72.813%0.12537%0.368CS..  trans-98.6127.5-171.5-162-124.5000111.6I48 N49 N53 L56 S95 N97 F98I48-Y51 PolarHBondContact O-N 2.96Å; N49-Y51 PolarHBondContact O-N 2.84Å; Y51-N53 HydrophobicContact CD1-CB 3.9Å; Y51-N53 HydrophobicContact CE1-CB 3.19Å; Y51-N53 HydrophobicContact CE2-CB 4.32Å; Y51-N53 VanDerWaalsContact CZ-CB 3.41Å; Y51-N53 WeakPolarHBondContact OH-CB 3.43Å; Y51-N53 PolarHBondContact OH-ND2 2.92Å; Y51-L56 VanDerWaalsContact C-CD1 3.44Å; Y51-L56 HydrophobicContact CD1-CD1 3.12Å; Y51-L56 HydrophobicContact CD1-CD2 3.93Å; Y51-L56 HydrophobicContact CD1-CG 3.47Å; Y51-L56 VanDerWaalsContact CD1-CG 3.47Å; Y51-L56 HydrophobicContact CE1-CD1 3.91Å; Y51-L56 HydrophobicContact CE1-CG 4.15Å; Y51-L56 HydrophobicContact CG-CD1 3.72Å; Y51-L56 HydrophobicContact CG-CG 4.4Å; Y51-L56 WeakPolarHBondContact O-CD1 3.36Å; Y51-S95 PolarHBondContact OH-OG 2.92Å; Y51-N97 HydrophobicContact CE2-CB 3.96Å; Y51-F98 HydrophobicContact CD1-CB 4.38Å; Y51-F98 AromaticContact CD1-CD2 3.79Å; Y51-F98 HydrophobicContact CD1-CD2 3.79Å; Y51-F98 HydrophobicContact CD1-CG 4.43Å; Y51-F98 HydrophobicContact CD2-CB 4.27Å; Y51-F98 HydrophobicContact CD2-CD2 4.04Å; Y51-F98 HydrophobicContact CE1-CB 4.11Å; Y51-F98 HydrophobicContact CE1-CD2 4.36Å; Y51-F98 HydrophobicContact CE2-CB 3.96Å; Y51-F98 AromaticContact CG-CD2 3.7Å; Y51-F98 HydrophobicContact CG-CD2 3.7Å; Y51-F98 HydrophobicContact CG-CE2 4.46Å
52K63.5Low79.5Confident212 Ų21276.5 Ų76.592%0.92238%0.384SS*.  trans-116.971.9179.6-67.3-176.2-178.9179.50110.4
53N67Low79.4Confident41 Ų4178.1 Ų78.122%0.21939%0.39CS..  trans-133.5135.3179.6-172-38.8000111.3Y51 K55 L56Y51-N53 HydrophobicContact CD1-CB 3.9Å; Y51-N53 HydrophobicContact CE1-CB 3.19Å; Y51-N53 HydrophobicContact CE2-CB 4.32Å; Y51-N53 VanDerWaalsContact CZ-CB 3.41Å; Y51-N53 WeakPolarHBondContact OH-CB 3.43Å; Y51-N53 PolarHBondContact OH-ND2 2.92Å; N53-K55 PolarHBondContact O-N 2.81Å; N53-K55 VanDerWaalsContact O-N 3.13Å; N53-K55 WeakPolarHBondContact OD1-CB 3.39Å; N53-K55 PolarHBondContact OD1-N 2.61Å; N53-L56 HydrophobicContact CB-CD1 4.09Å; N53-L56 VanDerWaalsContact N-CD1 3.31Å; N53-L56 WeakPolarHBondContact O-CB 3.43Å; N53-L56 VanDerWaalsContact O-CD1 3.26Å; N53-L56 WeakPolarHBondContact O-CD1 3.47Å; N53-L56 PolarHBondContact O-N 3.34Å
54P58.9Low79.6Confident109 Ų10973.2 Ų73.271%0.70837%0.366SS*.THydrogen-bonded Turntrans-56.9-23.3173.921.3-33.2000115.3L56 T57P54-L56 PolarHBondContact O-N 3.05Å; P54-T57 VanDerWaalsContact O-CB 3.31Å; P54-T57 WeakPolarHBondContact O-CB 3.24Å; P54-T57 PolarHBondContact O-N 3.04Å; P54-T57 PolarHBondContact O-OG1 2.82Å; P54-T57 VanDerWaalsContact O-OG1 3.11Å
55K64.9Low79.9Confident137 Ų13779.2 Ų79.260%0.59639%0.389SS*.THydrogen-bonded Turntrans-64.7-22.6171.6-70.1-170.8178.7-173.10113N53 T57N53-K55 PolarHBondContact O-N 2.81Å; N53-K55 VanDerWaalsContact O-N 3.13Å; N53-K55 WeakPolarHBondContact OD1-CB 3.39Å; N53-K55 PolarHBondContact OD1-N 2.61Å; K55-T57 PolarHBondContact O-N 3.02Å
56L67.8Low80.1Confident10 Ų1078.9 Ų78.95%0.05239%0.387CS..Hα-helixtrans-61.2-29.6170-80.5139.5000112.3I48 Y51 N53 P54 R58 M59 L60I48-L56 HydrophobicContact CG2-CD2 4.27Å; Y51-L56 VanDerWaalsContact C-CD1 3.44Å; Y51-L56 HydrophobicContact CD1-CD1 3.12Å; Y51-L56 HydrophobicContact CD1-CD2 3.93Å; Y51-L56 HydrophobicContact CD1-CG 3.47Å; Y51-L56 VanDerWaalsContact CD1-CG 3.47Å; Y51-L56 HydrophobicContact CE1-CD1 3.91Å; Y51-L56 HydrophobicContact CE1-CG 4.15Å; Y51-L56 HydrophobicContact CG-CD1 3.72Å; Y51-L56 HydrophobicContact CG-CG 4.4Å; Y51-L56 WeakPolarHBondContact O-CD1 3.36Å; N53-L56 HydrophobicContact CB-CD1 4.09Å; N53-L56 VanDerWaalsContact N-CD1 3.31Å; N53-L56 WeakPolarHBondContact O-CB 3.43Å; N53-L56 VanDerWaalsContact O-CD1 3.26Å; N53-L56 WeakPolarHBondContact O-CD1 3.47Å; N53-L56 PolarHBondContact O-N 3.34Å; P54-L56 PolarHBondContact O-N 3.05Å; L56-R58 PolarHBondContact O-N 2.95Å; L56-M59 HydrophobicContact CD2-SD 4.03Å; L56-M59 WeakPolarHBondContact O-CB 3.46Å; L56-M59 PolarHBondContact O-N 3.44Å; L56-L60 HydrophobicContact CB-CD1 4.21Å; L56-L60 HydrophobicContact CB-CG 4.44Å; L56-L60 WeakPolarHBondContact O-CB 3.24Å; L56-L60 VanDerWaalsContact O-CG 3.29Å; L56-L60 WeakPolarHBondContact O-CG 3.45Å; L56-L60 PolarHBondContact O-N 2.91Å
57T71.1Confident80.3Confident88 Ų8875.1 Ų75.154%0.5437%0.368SS..Hα-helixtrans-56.9-40-175.5-53.80000111P54 K55 T61P54-T57 VanDerWaalsContact O-CB 3.31Å; P54-T57 WeakPolarHBondContact O-CB 3.24Å; P54-T57 PolarHBondContact O-N 3.04Å; P54-T57 PolarHBondContact O-OG1 2.82Å; P54-T57 VanDerWaalsContact O-OG1 3.11Å; K55-T57 PolarHBondContact O-N 3.02Å; T57-T61 WeakPolarHBondContact O-CG2 3.37Å; T57-T61 PolarHBondContact O-N 3.42Å; T57-T61 VanDerWaalsContact O-N 3.13Å; T57-T61 PolarHBondContact O-OG1 3.34Å
58R72.1Confident80.7Confident209 Ų20980.4 Ų80.479%0.78939%0.385SS*.Hα-helixtrans-67.5-43.1175.8-70.6-172-175.4171.70.8112.9L56 T61 F62L56-R58 PolarHBondContact O-N 2.95Å; R58-T61 WeakPolarHBondContact CA-OG1 3.41Å; R58-T61 PolarHBondContact O-N 3.37Å; R58-T61 PolarHBondContact O-OG1 3.04Å; R58-F62 PolarHBondContact O-N 3.3Å
59M78.9Confident81Confident5 Ų586.9 Ų86.93%0.02541%0.413CS..Hα-helixtrans-60.1-44.8175.8159.7177.9-157.500111.8I48 L56 T61 F62 V89 L90 A93 I135I48-M59 HydrophobicContact CD1-CE 3.41Å; I48-M59 VanDerWaalsContact CD1-CE 3.41Å; I48-M59 HydrophobicContact CG1-CE 3.4Å; I48-M59 VanDerWaalsContact CG1-CE 3.4Å; I48-M59 HydrophobicContact CG1-SD 4.44Å; L56-M59 HydrophobicContact CD2-SD 4.03Å; L56-M59 WeakPolarHBondContact O-CB 3.46Å; L56-M59 PolarHBondContact O-N 3.44Å; M59-T61 PolarHBondContact O-N 2.98Å; M59-F62 WeakPolarHBondContact O-CB 3.5Å; M59-F62 PolarHBondContact O-N 3.43Å; M59-V89 HydrophobicContact CB-CG1 3.93Å; M59-V89 HydrophobicContact CE-CG1 4.17Å; M59-V89 HydrophobicContact CG-CG1 3.49Å; M59-V89 VanDerWaalsContact CG-CG1 3.49Å; M59-V89 HydrophobicContact SD-CG1 4.41Å; M59-L90 HydrophobicContact CE-CD2 3.44Å; M59-L90 VanDerWaalsContact CE-CD2 3.44Å; M59-L90 HydrophobicContact CE-CG 4.34Å; M59-A93 HydrophobicContact SD-CB 3.45Å; M59-A93 WeakPolarHBondContact SD-CB 3.39Å; M59-I135 HydrophobicContact CE-CD1 3.27Å; M59-I135 HydrophobicContact CE-CG1 4.36Å; M59-I135 HydrophobicContact CG-CD1 4.25Å; M59-I135 HydrophobicContact CG-CG2 4.34Å
60L79.2Confident81.5Confident69 Ų6983.8 Ų83.836%0.36140%0.401SS..Hα-helixtrans-67.7-25179.3-66.3173.2000112.4I48 L56 I135 V136I48-L60 HydrophobicContact CG2-CD2 4.18Å; L56-L60 HydrophobicContact CB-CD1 4.21Å; L56-L60 HydrophobicContact CB-CG 4.44Å; L56-L60 WeakPolarHBondContact O-CB 3.24Å; L56-L60 VanDerWaalsContact O-CG 3.29Å; L56-L60 WeakPolarHBondContact O-CG 3.45Å; L56-L60 PolarHBondContact O-N 2.91Å; L60-I135 HydrophobicContact CD2-CG2 3.84Å; L60-V136 HydrophobicContact CD2-CG2 4.1Å
61T85.6Confident82.1Confident92 Ų9280.7 Ų80.756%0.56439%0.386SS*.Hα-helixtrans-83.1-15.617557.40000113.8T57 R58 M59T57-T61 WeakPolarHBondContact O-CG2 3.37Å; T57-T61 PolarHBondContact O-N 3.42Å; T57-T61 VanDerWaalsContact O-N 3.13Å; T57-T61 PolarHBondContact O-OG1 3.34Å; R58-T61 WeakPolarHBondContact CA-OG1 3.41Å; R58-T61 PolarHBondContact O-N 3.37Å; R58-T61 PolarHBondContact O-OG1 3.04Å; M59-T61 PolarHBondContact O-N 2.98Å
62F90.9Very high83.1Confident78 Ų7883.5 Ų83.534%0.34240%0.401SS..  trans-61.9140.6175.1-169.1-84.9000109.7R58 M59 F64 P85 V89R58-F62 PolarHBondContact O-N 3.3Å; M59-F62 WeakPolarHBondContact O-CB 3.5Å; M59-F62 PolarHBondContact O-N 3.43Å; F62-F64 HydrophobicContact CB-CE2 4.45Å; F62-F64 HydrophobicContact CD1-CD1 4.24Å; F62-F64 AromaticContact CD1-CD2 3.77Å; F62-F64 HydrophobicContact CD1-CD2 3.77Å; F62-F64 AromaticContact CD1-CE1 3.94Å; F62-F64 HydrophobicContact CD1-CE1 3.94Å; F62-F64 AromaticContact CD1-CE2 3.43Å; F62-F64 HydrophobicContact CD1-CE2 3.43Å; F62-F64 VanDerWaalsContact CD1-CE2 3.43Å; F62-F64 HydrophobicContact CD1-CG 4.16Å; F62-F64 AromaticContact CD1-CZ 3.53Å; F62-F64 HydrophobicContact CD1-CZ 3.53Å; F62-F64 AromaticContact CE1-CD1 3.98Å; F62-F64 HydrophobicContact CE1-CD1 3.98Å; F62-F64 HydrophobicContact CE1-CD2 4.31Å; F62-F64 AromaticContact CE1-CE1 3.8Å; F62-F64 HydrophobicContact CE1-CE1 3.8Å; F62-F64 HydrophobicContact CE1-CE2 4.13Å; F62-F64 HydrophobicContact CE1-CG 4.23Å; F62-F64 AromaticContact CE1-CZ 3.87Å; F62-F64 HydrophobicContact CE1-CZ 3.87Å; F62-F64 HydrophobicContact CG-CE2 4.35Å; F62-F64 HydrophobicContact CG-CZ 4.49Å; F62-P85 HydrophobicContact CE1-CB 3.97Å; F62-P85 HydrophobicContact CZ-CB 3.88Å; F62-V89 HydrophobicContact CB-CG1 4.49Å; F62-V89 HydrophobicContact CB-CG2 3.8Å; F62-V89 HydrophobicContact CD1-CG2 3.72Å; F62-V89 HydrophobicContact CD2-CG2 3.57Å; F62-V89 HydrophobicContact CE1-CG2 4.17Å; F62-V89 HydrophobicContact CE2-CG2 4.04Å; F62-V89 HydrophobicContact CG-CG2 3.39Å; F62-V89 HydrophobicContact CZ-CG2 4.32Å
63K94.6Very high84.6Confident97 Ų9775.5 Ų75.542%0.42237%0.368SS..  trans-113.9119.6-173.4-70.3-50.6-169.11720109.4T132 A133K63-T132 HydrophobicContact CB-CG2 4.17Å; K63-T132 WeakPolarHBondContact CB-OG1 3.38Å; K63-T132 WeakPolarHBondContact CD-OG1 3.46Å; K63-T132 WeakPolarHBondContact CG-OG1 3.19Å; K63-A133 WeakPolarHBondContact CA-O 3.35Å
64F97.1Very high85.9Confident0 Ų076.5 Ų76.50%037%0.37CS..BIsolated β-bridgetrans-97.6145.7176.9-66.6-89.3000110F62 E82 P85 L86 V89 T132 A133 I135 F138F62-F64 HydrophobicContact CB-CE2 4.45Å; F62-F64 HydrophobicContact CD1-CD1 4.24Å; F62-F64 AromaticContact CD1-CD2 3.77Å; F62-F64 HydrophobicContact CD1-CD2 3.77Å; F62-F64 AromaticContact CD1-CE1 3.94Å; F62-F64 HydrophobicContact CD1-CE1 3.94Å; F62-F64 AromaticContact CD1-CE2 3.43Å; F62-F64 HydrophobicContact CD1-CE2 3.43Å; F62-F64 VanDerWaalsContact CD1-CE2 3.43Å; F62-F64 HydrophobicContact CD1-CG 4.16Å; F62-F64 AromaticContact CD1-CZ 3.53Å; F62-F64 HydrophobicContact CD1-CZ 3.53Å; F62-F64 AromaticContact CE1-CD1 3.98Å; F62-F64 HydrophobicContact CE1-CD1 3.98Å; F62-F64 HydrophobicContact CE1-CD2 4.31Å; F62-F64 AromaticContact CE1-CE1 3.8Å; F62-F64 HydrophobicContact CE1-CE1 3.8Å; F62-F64 HydrophobicContact CE1-CE2 4.13Å; F62-F64 HydrophobicContact CE1-CG 4.23Å; F62-F64 AromaticContact CE1-CZ 3.87Å; F62-F64 HydrophobicContact CE1-CZ 3.87Å; F62-F64 HydrophobicContact CG-CE2 4.35Å; F62-F64 HydrophobicContact CG-CZ 4.49Å; F64-E82 WeakPolarHBondContact CA-OE2 3.43Å; F64-E82 HydrophobicContact CD1-CB 4.36Å; F64-E82 WeakPolarHBondContact CD1-OE2 3.49Å; F64-P85 HydrophobicContact CE1-CB 4.11Å; F64-L86 HydrophobicContact CE1-CB 3.88Å; F64-L86 HydrophobicContact CE1-CD1 4.22Å; F64-L86 HydrophobicContact CZ-CB 4.34Å; F64-L86 HydrophobicContact CZ-CD1 3.94Å; F64-V89 HydrophobicContact CZ-CB 4.29Å; F64-V89 HydrophobicContact CZ-CG1 4.43Å; F64-V89 HydrophobicContact CZ-CG2 4.08Å; F64-T132 CarbonylContact O-C 3.52Å; F64-T132 WeakPolarHBondContact O-CA 3.4Å; F64-T132 WeakPolarHBondContact O-CB 3.29Å; F64-A133 PolarHBondContact N-O 3.1Å; F64-A133 PolarHBondContact O-N 3.49Å; F64-I135 HydrophobicContact CD2-CB 4.33Å; F64-I135 HydrophobicContact CE2-CB 3.69Å; F64-I135 HydrophobicContact CE2-CD1 4.03Å; F64-I135 HydrophobicContact CE2-CG1 3.9Å; F64-I135 HydrophobicContact CZ-CD1 4.08Å; F64-I135 HydrophobicContact CZ-CG1 4.32Å; F64-F138 HydrophobicContact CB-CB 4.08Å; F64-F138 HydrophobicContact CB-CD2 3.43Å; F64-F138 VanDerWaalsContact CB-CD2 3.43Å; F64-F138 HydrophobicContact CB-CE2 4Å; F64-F138 HydrophobicContact CB-CG 3.85Å; F64-F138 HydrophobicContact CD1-CD1 4.47Å; F64-F138 HydrophobicContact CD1-CD2 4.28Å; F64-F138 HydrophobicContact CD1-CE2 4.32Å; F64-F138 HydrophobicContact CD1-CG 4.35Å; F64-F138 HydrophobicContact CD1-CZ 4.44Å; F64-F138 HydrophobicContact CD2-CB 4.21Å; F64-F138 HydrophobicContact CD2-CG 4.35Å; F64-F138 HydrophobicContact CG-CB 4.19Å; F64-F138 HydrophobicContact CG-CD1 4.41Å; F64-F138 AromaticContact CG-CD2 3.93Å; F64-F138 HydrophobicContact CG-CD2 3.93Å; F64-F138 HydrophobicContact CG-CE2 4.4Å; F64-F138 AromaticContact CG-CG 3.92Å; F64-F138 HydrophobicContact CG-CG 3.92Å
65Y97.3Very high87.5Confident125 Ų12572.5 Ų72.549%0.4934%0.342SS..  trans-79140.3171.1-65.9-82.7000110.2E82 Y128 T132Y65-E82 WeakPolarHBondContact CD2-OE1 3.46Å; Y65-E82 PolarHBondContact N-OE2 2.88Å; Y65-E82 VanDerWaalsContact N-OE2 3.14Å; Y65-Y128 VanDerWaalsContact CB-CD1 3.46Å; Y65-Y128 HydrophobicContact CD1-CG 4.47Å; Y65-Y128 HydrophobicContact CG-CD1 4.43Å; Y65-T132 HydrophobicContact CD1-CG2 4.19Å; Y65-T132 HydrophobicContact CE1-CG2 4.13Å
66M96.5Very high89Confident9 Ų966 Ų664%0.04431%0.314CS..  trans-121.1138.9175-81.3-60.6-57.500109.5Y128 A129 A133 F138 R141M66-Y128 CarbonylContact O-C 3.52Å; M66-Y128 WeakPolarHBondContact O-CA 3.44Å; M66-A129 PolarHBondContact O-N 3.36Å; M66-A133 HydrophobicContact CG-CB 3.71Å; M66-F138 HydrophobicContact CG-CD2 4.36Å; M66-F138 HydrophobicContact SD-CD2 3.52Å; M66-F138 VanDerWaalsContact SD-CD2 3.52Å; M66-F138 HydrophobicContact SD-CE2 4.01Å; M66-F138 HydrophobicContact SD-CG 4.4Å; M66-R141 HydrophobicContact CE-CB 3.56Å; M66-R141 HydrophobicContact CE-CG 4.24Å; M66-R141 HydrophobicContact SD-CB 4.4Å
67P95Very high90.3Very high9 Ų966.4 Ų66.46%0.05832%0.315CS..BIsolated β-bridgetrans-62.214817026.8-35.8000111K69 A70 C78 E127 W142P67-K69 PolarHBondContact O-N 3.03Å; P67-A70 HydrophobicContact CG-CB 4.02Å; P67-C78 HydrophobicContact CB-CB 4.32Å; P67-C78 HydrophobicContact CG-CB 4.05Å; P67-E127 CarbonylContact C-O 3.51Å; P67-E127 VanDerWaalsContact CA-O 3.32Å; P67-E127 WeakPolarHBondContact CA-O 3.43Å; P67-W142 HydrophobicContact CG-CH2 4.21Å; P67-W142 HydrophobicContact CG-CZ2 4.23Å
68K94.6Very high91.4Very high132 Ų13262.2 Ų62.257%0.57429%0.29SS*.SBendtrans-55.4-36.3172.3-72.2-178.1-177.6-177.80111.6E127 Y128 A129K68-E127 PolarHBondContact N-O 2.81Å; K68-Y128 WeakPolarHBondContact CE-O 3.45Å; K68-Y128 WeakPolarHBondContact CG-O 3.4Å; K68-A129 HydrophobicContact CG-CB 4.2Å
69K91.6Very high92.6Very high141 Ų14152.3 Ų52.361%0.61325%0.252SS*.  trans-145.8136.4178.4-172.8176.3179.4-174.50110P67 T71 H75P67-K69 PolarHBondContact O-N 3.03Å; K69-T71 HydrophobicContact CD-CG2 4.26Å; K69-T71 WeakPolarHBondContact CE-OG1 3.41Å; K69-T71 HydrophobicContact CG-CG2 3.86Å; K69-H75 PolarHBondContact O-CD2 2.89Å; K69-H75 VanDerWaalsContact O-CD2 3.28Å
70A93.6Very high93.4Very high30 Ų3054.3 Ų54.325%0.24826%0.262CS..  trans-132.9105.3170.200000108.7P67 H75 W142 F145P67-A70 HydrophobicContact CG-CB 4.02Å; A70-H75 HydrophobicContact CB-CB 3.92Å; A70-W142 HydrophobicContact CB-CH2 4.41Å; A70-W142 HydrophobicContact CB-CZ3 4.3Å; A70-F145 HydrophobicContact CB-CD2 3.75Å; A70-F145 HydrophobicContact CB-CE2 4.1Å; A70-F145 WeakPolarHBondContact O-CD2 3.49Å
71T92.8Very high94.2Very high69 Ų6955 Ų5542%0.42326%0.263SS..  trans-135.8-1.4-177.553.40000114.1K69 H75 I149K69-T71 HydrophobicContact CD-CG2 4.26Å; K69-T71 WeakPolarHBondContact CE-OG1 3.41Å; K69-T71 HydrophobicContact CG-CG2 3.86Å; T71-H75 PolarHBondContact N-ND1 2.94Å; T71-I149 WeakPolarHBondContact O-CD1 2.91Å
72E93.1Very high94.7Very high91 Ų9151.4 Ų51.443%0.42524%0.24SC..SBendtrans-139.3152.4-175.7-61.8170.9-113.400108.5K74 H75 F145E72-K74 HydrophobicContact CB-CG 3.99Å; E72-K74 PolarHBondContact O-N 2.83Å; E72-K74 VanDerWaalsContact O-N 3.17Å; E72-K74 IonicContact OE1-NZ 3.01Å; E72-K74 PolarHBondContact OE1-NZ 3.28Å; E72-K74 WeakPolarHBondContact OE2-CE 3.34Å; E72-K74 IonicContact OE2-NZ 2.75Å; E72-K74 PolarHBondContact OE2-NZ 3.21Å; E72-H75 PolarHBondContact N-ND1 3.22Å; E72-H75 WeakPolarHBondContact O-CB 3.41Å; E72-H75 PolarHBondContact O-N 3.44Å; E72-H75 PolarHBondContact O-ND1 3.01Å; E72-H75 IonicContact OE1-CE1 3.78Å; E72-F145 WeakPolarHBondContact O-CZ 3.39Å
73L94.7Very high95.1Very high44 Ų4448 Ų4823%0.2323%0.225CC..G310 helixtrans-56.7-32.9-177.7-66.2178.5000113.7T30 L34 H75 L76 L117 I149T30-L73 HydrophobicContact CG2-CD1 3.8Å; L34-L73 HydrophobicContact CD1-CD2 4.3Å; L34-L73 HydrophobicContact CD2-CD2 4Å; L34-L73 HydrophobicContact CG-CD2 4.49Å; L73-H75 PolarHBondContact O-N 3.14Å; L73-H75 VanDerWaalsContact O-N 3.11Å; L73-L76 HydrophobicContact CD2-CD1 4.15Å; L73-L76 WeakPolarHBondContact O-CB 3.43Å; L73-L76 WeakPolarHBondContact O-CG 3.47Å; L73-L76 PolarHBondContact O-N 3.19Å; L73-L117 WeakPolarHBondContact CB-O 3.5Å; L73-L117 HydrophobicContact CD2-CB 4.49Å; L73-L117 HydrophobicContact CD2-CD2 4.45Å; L73-I149 HydrophobicContact CD2-CG2 4.14Å
74K92.8Very high95.1Very high63 Ų6350 Ų5027%0.27423%0.234SC..G310 helixtrans-56.9-25.9175.167.1-178.6-167-142.70113.7E72 L76 Q77 L124E72-K74 HydrophobicContact CB-CG 3.99Å; E72-K74 PolarHBondContact O-N 2.83Å; E72-K74 VanDerWaalsContact O-N 3.17Å; E72-K74 IonicContact OE1-NZ 3.01Å; E72-K74 PolarHBondContact OE1-NZ 3.28Å; E72-K74 WeakPolarHBondContact OE2-CE 3.34Å; E72-K74 IonicContact OE2-NZ 2.75Å; E72-K74 PolarHBondContact OE2-NZ 3.21Å; K74-L76 PolarHBondContact O-N 3.4Å; K74-Q77 VanDerWaalsContact O-CB 3.3Å; K74-Q77 WeakPolarHBondContact O-CB 3.4Å; K74-Q77 PolarHBondContact O-N 3.36Å; K74-L124 HydrophobicContact CB-CD1 3.95Å; K74-L124 HydrophobicContact CD-CD1 3.51Å; K74-L124 HydrophobicContact CG-CD1 3.54Å
75H94.2Very high95Very high25 Ų2551.4 Ų51.412%0.11624%0.243CC..G310 helixtrans-70.3-15.2177.1-58.4103.8000112.7K69 A70 T71 E72 L73 Q77 C78 W142K69-H75 PolarHBondContact O-CD2 2.89Å; K69-H75 VanDerWaalsContact O-CD2 3.28Å; A70-H75 HydrophobicContact CB-CB 3.92Å; T71-H75 PolarHBondContact N-ND1 2.94Å; E72-H75 PolarHBondContact N-ND1 3.22Å; E72-H75 WeakPolarHBondContact O-CB 3.41Å; E72-H75 PolarHBondContact O-N 3.44Å; E72-H75 PolarHBondContact O-ND1 3.01Å; E72-H75 IonicContact OE1-CE1 3.78Å; L73-H75 PolarHBondContact O-N 3.14Å; L73-H75 VanDerWaalsContact O-N 3.11Å; H75-Q77 PolarHBondContact O-N 3.44Å; H75-Q77 VanDerWaalsContact O-N 3.09Å; H75-C78 WeakPolarHBondContact O-CB 3.44Å; H75-C78 PolarHBondContact O-N 3.29Å; H75-W142 VanDerWaalsContact O-CH2 3.28Å; H75-W142 WeakPolarHBondContact O-CH2 3.48Å
76L95.9Very high94.9Very high0 Ų045.5 Ų45.50%022%0.22CC..G310 helixtrans-60.7-14.9171.7-69.1170.5000112.7L37 L73 K74 C78 L79 E80 V114 L117 K118 W142 F145L37-L76 HydrophobicContact CD2-CD1 4.5Å; L37-L76 HydrophobicContact CD2-CD2 3.96Å; L73-L76 HydrophobicContact CD2-CD1 4.15Å; L73-L76 WeakPolarHBondContact O-CB 3.43Å; L73-L76 WeakPolarHBondContact O-CG 3.47Å; L73-L76 PolarHBondContact O-N 3.19Å; K74-L76 PolarHBondContact O-N 3.4Å; L76-C78 PolarHBondContact O-N 3.43Å; L76-L79 HydrophobicContact CD2-CB 4.47Å; L76-L79 HydrophobicContact CD2-CD2 4.03Å; L76-L79 WeakPolarHBondContact O-CB 3.48Å; L76-L79 PolarHBondContact O-N 3.09Å; L76-E80 PolarHBondContact O-N 2.98Å; L76-V114 HydrophobicContact CB-CG1 4.07Å; L76-V114 WeakPolarHBondContact O-CG1 3.32Å; L76-L117 HydrophobicContact CD1-CB 3.54Å; L76-L117 HydrophobicContact CD1-CD1 3.88Å; L76-L117 HydrophobicContact CD1-CG 4.37Å; L76-K118 HydrophobicContact CB-CB 4.28Å; L76-W142 HydrophobicContact CD2-CE3 4.05Å; L76-W142 HydrophobicContact CD2-CZ3 3.86Å; L76-F145 HydrophobicContact CD1-CE1 4.29Å; L76-F145 HydrophobicContact CD2-CD1 4.08Å; L76-F145 HydrophobicContact CD2-CE1 3.58Å; L76-F145 HydrophobicContact CD2-CZ 4.37Å; L76-F145 HydrophobicContact CG-CE1 3.78Å; L76-F145 HydrophobicContact CG-CZ 4.17Å
77Q94.7Very high94.7Very high18 Ų1847.4 Ų47.48%0.08423%0.229CC..Hα-helixtrans-49.2-39.6164.6-177.657.445.700112.1K74 H75 L79 E80 E81 L124K74-Q77 VanDerWaalsContact O-CB 3.3Å; K74-Q77 WeakPolarHBondContact O-CB 3.4Å; K74-Q77 PolarHBondContact O-N 3.36Å; H75-Q77 PolarHBondContact O-N 3.44Å; H75-Q77 VanDerWaalsContact O-N 3.09Å; Q77-L79 VanDerWaalsContact C-N 3.33Å; Q77-L79 PolarHBondContact O-N 2.89Å; Q77-E80 VanDerWaalsContact CD-OE2 3.3Å; Q77-E80 PolarHBondContact NE2-OE2 2.95Å; Q77-E80 WeakPolarHBondContact O-CB 3.41Å; Q77-E80 PolarHBondContact O-N 3.44Å; Q77-E80 PolarHBondContact OE1-OE2 3.08Å; Q77-E81 PolarHBondContact NE2-OE1 3.45Å; Q77-E81 VanDerWaalsContact NE2-OE1 3.07Å; Q77-E81 PolarHBondContact O-N 3.35Å; Q77-E81 VanDerWaalsContact O-N 3.11Å; Q77-L124 HydrophobicContact CB-CD2 3.99Å; Q77-L124 HydrophobicContact CG-CD2 4.29Å; Q77-L124 WeakPolarHBondContact CG-O 3.23Å
78C95.2Very high94.5Very high1 Ų151.9 Ų51.91%0.00725%0.249CC..Hα-helixtrans-76.2-24.8-179.1-46.80000112.6P67 H75 L76 E82 C126 Y128 W142P67-C78 HydrophobicContact CB-CB 4.32Å; P67-C78 HydrophobicContact CG-CB 4.05Å; H75-C78 WeakPolarHBondContact O-CB 3.44Å; H75-C78 PolarHBondContact O-N 3.29Å; L76-C78 PolarHBondContact O-N 3.43Å; C78-E82 WeakPolarHBondContact O-CG 3.44Å; C78-C126 WeakPolarHBondContact CA-SG 3.34Å; C78-C126 HydrophobicContact CB-CB 3.97Å; C78-C126 WeakPolarHBondContact CB-SG 3.5Å; C78-C126 PolarHBondContact N-SG 3.13Å; C78-C126 WeakPolarHBondContact SG-CB 3.23Å; C78-C126 CovalentContact SG-SG 2.04Å; C78-C126 PolarHBondContact SG-SG 3.35Å; C78-Y128 HydrophobicContact CB-CE1 4.26Å; C78-W142 HydrophobicContact CB-CH2 4.29Å; C78-W142 HydrophobicContact CB-CZ2 4.15Å
79L97.3Very high94.3Very high0 Ų045.8 Ų45.80%022%0.223CC..Hα-helixtrans-70-48.1168.9176.853.6000109.8L37 L76 Q77 E81 E82 L83 V114 F138 W142L37-L79 HydrophobicContact CD1-CD2 4.33Å; L76-L79 HydrophobicContact CD2-CB 4.47Å; L76-L79 HydrophobicContact CD2-CD2 4.03Å; L76-L79 WeakPolarHBondContact O-CB 3.48Å; L76-L79 PolarHBondContact O-N 3.09Å; Q77-L79 VanDerWaalsContact C-N 3.33Å; Q77-L79 PolarHBondContact O-N 2.89Å; L79-E81 VanDerWaalsContact C-N 3.31Å; L79-E81 PolarHBondContact O-N 3.46Å; L79-E82 CarbonylContact O-C 3.57Å; L79-E82 PolarHBondContact O-N 3.3Å; L79-L83 HydrophobicContact CD1-CD2 3.76Å; L79-L83 HydrophobicContact CG-CD2 4.02Å; L79-L83 WeakPolarHBondContact O-CG 3.37Å; L79-L83 PolarHBondContact O-N 2.97Å; L79-V114 HydrophobicContact CD2-CG2 3.8Å; L79-V114 HydrophobicContact CG-CG2 4.23Å; L79-F138 HydrophobicContact CD1-CE1 3.85Å; L79-F138 HydrophobicContact CD1-CZ 3.57Å; L79-W142 HydrophobicContact CB-CD2 3.99Å; L79-W142 HydrophobicContact CB-CE3 4.23Å; L79-W142 HydrophobicContact CB-CH2 3.93Å; L79-W142 HydrophobicContact CB-CZ2 3.64Å; L79-W142 HydrophobicContact CB-CZ3 4.21Å; L79-W142 HydrophobicContact CD1-CD2 4.3Å; L79-W142 HydrophobicContact CD1-CG 4.14Å; L79-W142 HydrophobicContact CD2-CD2 4.13Å; L79-W142 HydrophobicContact CD2-CE3 4.31Å; L79-W142 HydrophobicContact CD2-CG 4.28Å; L79-W142 HydrophobicContact CG-CD2 4.37Å
80E95.8Very high94.1Very high47 Ų4739.1 Ų39.122%0.2219%0.194CC..Hα-helixtrans-51-49.2178.5-172.3-164-167.600111.9L76 Q77 E82 L83 V114 L115 K118L76-E80 PolarHBondContact O-N 2.98Å; Q77-E80 VanDerWaalsContact CD-OE2 3.3Å; Q77-E80 PolarHBondContact NE2-OE2 2.95Å; Q77-E80 WeakPolarHBondContact O-CB 3.41Å; Q77-E80 PolarHBondContact O-N 3.44Å; Q77-E80 PolarHBondContact OE1-OE2 3.08Å; E80-E82 PolarHBondContact O-N 3.12Å; E80-L83 WeakPolarHBondContact O-CB 3.36Å; E80-L83 PolarHBondContact O-N 3.25Å; E80-L83 VanDerWaalsContact O-N 3.15Å; E80-V114 HydrophobicContact CB-CG1 3.81Å; E80-V114 HydrophobicContact CG-CG1 4.45Å; E80-L115 VanDerWaalsContact OE1-CD2 3.24Å; E80-L115 WeakPolarHBondContact OE1-CD2 3.47Å; E80-K118 IonicContact OE1-NZ 3.5Å; E80-K118 PolarHBondContact OE1-NZ 2.86Å; E80-K118 VanDerWaalsContact OE2-CE 3.31Å; E80-K118 WeakPolarHBondContact OE2-CE 3.37Å; E80-K118 IonicContact OE2-NZ 2.65Å; E80-K118 PolarHBondContact OE2-NZ 3.17Å
81E95.4Very high93.7Very high85 Ų8540.7 Ų40.740%0.39720%0.198SC..Hα-helixtrans-60.3-30.7180-73.7177.2-154.400112.8Q77 L79 Y128Q77-E81 PolarHBondContact NE2-OE1 3.45Å; Q77-E81 VanDerWaalsContact NE2-OE1 3.07Å; Q77-E81 PolarHBondContact O-N 3.35Å; Q77-E81 VanDerWaalsContact O-N 3.11Å; L79-E81 VanDerWaalsContact C-N 3.31Å; L79-E81 PolarHBondContact O-N 3.46Å; E81-Y128 PolarHBondContact OE2-OH 3.14Å
82E97Very high93.1Very high15 Ų1543.9 Ų43.97%0.0721%0.212CC..Hα-helixtrans-94.3-4.3-178.9-65.7-69128.200113.4F64 Y65 C78 L79 E80 K84 P85 L86 F138F64-E82 WeakPolarHBondContact CA-OE2 3.43Å; F64-E82 HydrophobicContact CD1-CB 4.36Å; F64-E82 WeakPolarHBondContact CD1-OE2 3.49Å; Y65-E82 WeakPolarHBondContact CD2-OE1 3.46Å; Y65-E82 PolarHBondContact N-OE2 2.88Å; Y65-E82 VanDerWaalsContact N-OE2 3.14Å; C78-E82 WeakPolarHBondContact O-CG 3.44Å; L79-E82 CarbonylContact O-C 3.57Å; L79-E82 PolarHBondContact O-N 3.3Å; E80-E82 PolarHBondContact O-N 3.12Å; E82-K84 PolarHBondContact O-N 3.43Å; E82-P85 WeakPolarHBondContact O-CD 3.43Å; E82-L86 WeakPolarHBondContact O-CB 3.48Å; E82-L86 PolarHBondContact O-N 3.05Å; E82-F138 HydrophobicContact CB-CE2 3.77Å; E82-F138 HydrophobicContact CB-CZ 3.64Å; E82-F138 HydrophobicContact CG-CE2 4.04Å; E82-F138 HydrophobicContact CG-CZ 4.41Å
83L97.3Very high92.1Very high6 Ų639.7 Ų39.73%0.03119%0.192CC..Hα-helixtrans-65.5-38.2-179.8-71-176000113L79 E80 L86 E87 I107 I110 N111L79-L83 HydrophobicContact CD1-CD2 3.76Å; L79-L83 HydrophobicContact CG-CD2 4.02Å; L79-L83 WeakPolarHBondContact O-CG 3.37Å; L79-L83 PolarHBondContact O-N 2.97Å; E80-L83 WeakPolarHBondContact O-CB 3.36Å; E80-L83 PolarHBondContact O-N 3.25Å; E80-L83 VanDerWaalsContact O-N 3.15Å; L83-L86 HydrophobicContact CD2-CD2 4.43Å; L83-L86 WeakPolarHBondContact O-CB 3.4Å; L83-L86 PolarHBondContact O-N 3.43Å; L83-E87 PolarHBondContact O-N 3.39Å; L83-I107 HydrophobicContact CB-CG2 4.19Å; L83-I110 HydrophobicContact CD1-CG2 3.92Å; L83-I110 HydrophobicContact CD2-CG2 3.57Å; L83-I110 HydrophobicContact CG-CG2 4.42Å; L83-N111 HydrophobicContact CD1-CB 3.67Å
84K96Very high90.7Very high141 Ų14142 Ų4261%0.61320%0.202SC*.Hα-helixtrans-67.3-50178176.5-179.6-179.3-173.80111.8E82 L86 E87 E88E82-K84 PolarHBondContact O-N 3.43Å; K84-L86 PolarHBondContact O-N 3.29Å; K84-E87 WeakPolarHBondContact O-CB 3.39Å; K84-E87 PolarHBondContact O-N 3.22Å; K84-E88 VanDerWaalsContact CE-OE1 3.29Å; K84-E88 WeakPolarHBondContact CE-OE1 3.48Å; K84-E88 WeakPolarHBondContact O-CG 3.4Å; K84-E88 PolarHBondContact O-N 2.98Å
85P94.8Very high89.2Confident29 Ų2940.4 Ų40.419%0.18820%0.199CC..Hα-helixtrans-51.9-41.5168.6-28.834000113.2F62 F64 E82 E88 V89F62-P85 HydrophobicContact CE1-CB 3.97Å; F62-P85 HydrophobicContact CZ-CB 3.88Å; F64-P85 HydrophobicContact CE1-CB 4.11Å; E82-P85 WeakPolarHBondContact O-CD 3.43Å; P85-E88 PolarHBondContact O-N 2.88Å; P85-V89 WeakPolarHBondContact O-CB 3.41Å; P85-V89 VanDerWaalsContact O-CG2 3.23Å; P85-V89 WeakPolarHBondContact O-CG2 3.32Å; P85-V89 PolarHBondContact O-N 2.93Å
86L94.6Very high87.4Confident0 Ų048.3 Ų48.30%023%0.233CC..Hα-helixtrans-62.9-44.8178.5179.961.8000111.7I44 F64 E82 L83 K84 V89 L90 I107 I135 F138 L139I44-L86 HydrophobicContact CD1-CD2 4.24Å; F64-L86 HydrophobicContact CE1-CB 3.88Å; F64-L86 HydrophobicContact CE1-CD1 4.22Å; F64-L86 HydrophobicContact CZ-CB 4.34Å; F64-L86 HydrophobicContact CZ-CD1 3.94Å; E82-L86 WeakPolarHBondContact O-CB 3.48Å; E82-L86 PolarHBondContact O-N 3.05Å; L83-L86 HydrophobicContact CD2-CD2 4.43Å; L83-L86 WeakPolarHBondContact O-CB 3.4Å; L83-L86 PolarHBondContact O-N 3.43Å; K84-L86 PolarHBondContact O-N 3.29Å; L86-V89 PolarHBondContact O-N 3.43Å; L86-L90 HydrophobicContact CD1-CD1 4.06Å; L86-L90 HydrophobicContact CD1-CG 4.22Å; L86-L90 HydrophobicContact CG-CD1 3.9Å; L86-L90 HydrophobicContact CG-CG 4.48Å; L86-L90 WeakPolarHBondContact O-CB 3.23Å; L86-L90 VanDerWaalsContact O-CG 3.23Å; L86-L90 WeakPolarHBondContact O-CG 3.46Å; L86-L90 PolarHBondContact O-N 3.02Å; L86-I107 HydrophobicContact CD2-CD1 3.84Å; L86-I107 HydrophobicContact CG-CD1 3.98Å; L86-I135 HydrophobicContact CD1-CD1 3.52Å; L86-I135 HydrophobicContact CD1-CG1 4.02Å; L86-F138 HydrophobicContact CD2-CE1 4.23Å; L86-L139 HydrophobicContact CD2-CD2 4.42Å
87E93.2Very high85.4Confident49 Ų4954.2 Ų54.223%0.22927%0.265CS..Hα-helixtrans-58.7-48.3175.3-166.5-172.616300111.7L83 K84 V89 L90 N91 T103 I107L83-E87 PolarHBondContact O-N 3.39Å; K84-E87 WeakPolarHBondContact O-CB 3.39Å; K84-E87 PolarHBondContact O-N 3.22Å; E87-V89 VanDerWaalsContact C-N 3.33Å; E87-V89 PolarHBondContact O-N 3.16Å; E87-L90 PolarHBondContact O-N 3.3Å; E87-N91 WeakPolarHBondContact O-CB 3.29Å; E87-N91 VanDerWaalsContact O-CG 3.22Å; E87-N91 PolarHBondContact O-N 3.31Å; E87-N91 PolarHBondContact O-ND2 2.85Å; E87-T103 HydrophobicContact CG-CG2 4.34Å; E87-I107 HydrophobicContact CB-CB 4.4Å; E87-I107 HydrophobicContact CB-CG1 3.97Å; E87-I107 HydrophobicContact CB-CG2 4.16Å; E87-I107 HydrophobicContact CG-CB 4.35Å; E87-I107 HydrophobicContact CG-CG1 4.07Å; E87-I107 HydrophobicContact CG-CG2 4.48Å
88E90.6Very high83.6Confident104 Ų10453.6 Ų53.649%0.48626%0.262SS..Hα-helixtrans-59.1-45.4178.9-70.6176.9-169.300111K84 P85 N91 L92K84-E88 VanDerWaalsContact CE-OE1 3.29Å; K84-E88 WeakPolarHBondContact CE-OE1 3.48Å; K84-E88 WeakPolarHBondContact O-CG 3.4Å; K84-E88 PolarHBondContact O-N 2.98Å; P85-E88 PolarHBondContact O-N 2.88Å; E88-N91 PolarHBondContact O-N 3Å; E88-L92 WeakPolarHBondContact O-CG 3.31Å; E88-L92 PolarHBondContact O-N 3.18Å
89V89.2Confident82Confident4 Ų459.9 Ų59.92%0.02429%0.29CS..Hα-helixtrans-63.3-42.2177.7169.30000112M59 F62 F64 P85 L86 E87 L92 A93 I135M59-V89 HydrophobicContact CB-CG1 3.93Å; M59-V89 HydrophobicContact CE-CG1 4.17Å; M59-V89 HydrophobicContact CG-CG1 3.49Å; M59-V89 VanDerWaalsContact CG-CG1 3.49Å; M59-V89 HydrophobicContact SD-CG1 4.41Å; F62-V89 HydrophobicContact CB-CG1 4.49Å; F62-V89 HydrophobicContact CB-CG2 3.8Å; F62-V89 HydrophobicContact CD1-CG2 3.72Å; F62-V89 HydrophobicContact CD2-CG2 3.57Å; F62-V89 HydrophobicContact CE1-CG2 4.17Å; F62-V89 HydrophobicContact CE2-CG2 4.04Å; F62-V89 HydrophobicContact CG-CG2 3.39Å; F62-V89 HydrophobicContact CZ-CG2 4.32Å; F64-V89 HydrophobicContact CZ-CB 4.29Å; F64-V89 HydrophobicContact CZ-CG1 4.43Å; F64-V89 HydrophobicContact CZ-CG2 4.08Å; P85-V89 WeakPolarHBondContact O-CB 3.41Å; P85-V89 VanDerWaalsContact O-CG2 3.23Å; P85-V89 WeakPolarHBondContact O-CG2 3.32Å; P85-V89 PolarHBondContact O-N 2.93Å; L86-V89 PolarHBondContact O-N 3.43Å; E87-V89 VanDerWaalsContact C-N 3.33Å; E87-V89 PolarHBondContact O-N 3.16Å; V89-L92 PolarHBondContact O-N 3.37Å; V89-A93 PolarHBondContact O-N 2.87Å; V89-I135 HydrophobicContact CG1-CD1 3.71Å
90L88.1Confident80.6Confident0 Ų060.5 Ų60.50%029%0.294CS..Hα-helixtrans-67.9-38.5177.3-70.9168.6000112.1I44 I48 M59 L86 E87 L92 A93 Q94 F98 L100 T103 I107I44-L90 HydrophobicContact CD1-CD1 4.26Å; I44-L90 HydrophobicContact CG2-CD1 4.02Å; I44-L90 HydrophobicContact CG2-CD2 3.8Å; I48-L90 HydrophobicContact CD1-CD2 4.42Å; M59-L90 HydrophobicContact CE-CD2 3.44Å; M59-L90 VanDerWaalsContact CE-CD2 3.44Å; M59-L90 HydrophobicContact CE-CG 4.34Å; L86-L90 HydrophobicContact CD1-CD1 4.06Å; L86-L90 HydrophobicContact CD1-CG 4.22Å; L86-L90 HydrophobicContact CG-CD1 3.9Å; L86-L90 HydrophobicContact CG-CG 4.48Å; L86-L90 WeakPolarHBondContact O-CB 3.23Å; L86-L90 VanDerWaalsContact O-CG 3.23Å; L86-L90 WeakPolarHBondContact O-CG 3.46Å; L86-L90 PolarHBondContact O-N 3.02Å; E87-L90 PolarHBondContact O-N 3.3Å; L90-L92 VanDerWaalsContact C-N 3.32Å; L90-L92 PolarHBondContact O-N 3.41Å; L90-A93 PolarHBondContact O-N 3.36Å; L90-A93 VanDerWaalsContact O-N 3.14Å; L90-Q94 PolarHBondContact O-N 3.29Å; L90-Q94 VanDerWaalsContact O-N 3.09Å; L90-F98 HydrophobicContact CD2-CE1 4.36Å; L90-F98 HydrophobicContact CD2-CZ 4.23Å; L90-L100 HydrophobicContact CD1-CD1 4.42Å; L90-L100 HydrophobicContact CD2-CD1 3.88Å; L90-T103 HydrophobicContact CB-CG2 3.44Å; L90-T103 VanDerWaalsContact CB-CG2 3.44Å; L90-T103 HydrophobicContact CD1-CG2 3.95Å; L90-T103 HydrophobicContact CG-CG2 4.34Å; L90-I107 HydrophobicContact CD1-CD1 4.01Å; L90-I107 HydrophobicContact CD1-CG1 4.43Å
91N85.6Confident79.1Confident63 Ų6368 Ų6834%0.33732%0.32SS..Hα-helixtrans-65.4-34.4176.1-73.6-23.7000112.1E87 E88 A93 Q94E87-N91 WeakPolarHBondContact O-CB 3.29Å; E87-N91 VanDerWaalsContact O-CG 3.22Å; E87-N91 PolarHBondContact O-N 3.31Å; E87-N91 PolarHBondContact O-ND2 2.85Å; E88-N91 PolarHBondContact O-N 3Å; N91-A93 VanDerWaalsContact C-N 3.27Å; N91-A93 PolarHBondContact O-N 3.39Å; N91-Q94 WeakPolarHBondContact O-CB 3.39Å; N91-Q94 PolarHBondContact O-N 2.99Å
92L79.7Confident78.3Confident137 Ų13768.5 Ų68.572%0.71733%0.326SS*.Hα-helixtrans-64.5-32.1172.6-69.9173.9000112.7E88 V89 L90E88-L92 WeakPolarHBondContact O-CG 3.31Å; E88-L92 PolarHBondContact O-N 3.18Å; V89-L92 PolarHBondContact O-N 3.37Å; L90-L92 VanDerWaalsContact C-N 3.32Å; L90-L92 PolarHBondContact O-N 3.41Å
93A71.4Confident77.8Confident2 Ų267.9 Ų67.92%0.01732%0.323CS..Hα-helixtrans-81.1-16.7177.500000113.1M59 V89 L90 N91 S95 F98M59-A93 HydrophobicContact SD-CB 3.45Å; M59-A93 WeakPolarHBondContact SD-CB 3.39Å; V89-A93 PolarHBondContact O-N 2.87Å; L90-A93 PolarHBondContact O-N 3.36Å; L90-A93 VanDerWaalsContact O-N 3.14Å; N91-A93 VanDerWaalsContact C-N 3.27Å; N91-A93 PolarHBondContact O-N 3.39Å; A93-S95 PolarHBondContact O-N 3.37Å; A93-F98 HydrophobicContact CB-CD1 4.35Å; A93-F98 HydrophobicContact CB-CE1 4.37Å; A93-F98 WeakPolarHBondContact O-CB 3.36Å
94Q66.4Low77.4Confident93 Ų9374 Ų7444%0.43535%0.349SS..  trans-64.895.1178.6-152.8179.235.900110.1L90 N91 L100L90-Q94 PolarHBondContact O-N 3.29Å; L90-Q94 VanDerWaalsContact O-N 3.09Å; N91-Q94 WeakPolarHBondContact O-CB 3.39Å; N91-Q94 PolarHBondContact O-N 2.99Å; Q94-L100 PolarHBondContact NE2-O 3.34Å
95S61.1Low77.2Confident29 Ų2971.4 Ų71.420%0.20334%0.342CS..  trans-102.2174.2164.675.20000108.8Y51 A93 N97 F98Y51-S95 PolarHBondContact OH-OG 2.92Å; A93-S95 PolarHBondContact O-N 3.37Å; S95-N97 PolarHBondContact O-N 3.48Å; S95-N97 PolarHBondContact OG-N 3.15Å; S95-N97 VanDerWaalsContact OG-N 3.09Å; S95-F98 PolarHBondContact O-N 2.9Å; S95-F98 VanDerWaalsContact O-N 3.09Å; S95-F98 PolarHBondContact OG-N 3.21Å
96K56.4Low77.1Confident191 Ų19170.7 Ų70.783%0.8334%0.337SS*.THydrogen-bonded Turntrans-50.1-15.7169.3-66.1-173177.9-175.80114.7H99K96-H99 PolarHBondContact O-CE1 2.81Å; K96-H99 PolarHBondContact O-NE2 3.01Å; K96-H99 VanDerWaalsContact O-NE2 3.1Å
97N54Low77.1Confident125 Ų12571 Ų7167%0.66834%0.338SS*.THydrogen-bonded Turntrans-114.1-8.2-176.4-60.3-22.1000114.5Y51 S95Y51-N97 HydrophobicContact CE2-CB 3.96Å; S95-N97 PolarHBondContact O-N 3.48Å; S95-N97 PolarHBondContact OG-N 3.15Å; S95-N97 VanDerWaalsContact OG-N 3.09Å
98F57.6Low77.2Confident5 Ų571.1 Ų71.12%0.02234%0.344CS..  trans-101.286.8176.4-176.2-100.3000108.1G47 Y51 L90 A93 S95 L100G47-F98 WeakPolarHBondContact O-CE2 3.45Å; Y51-F98 HydrophobicContact CD1-CB 4.38Å; Y51-F98 AromaticContact CD1-CD2 3.79Å; Y51-F98 HydrophobicContact CD1-CD2 3.79Å; Y51-F98 HydrophobicContact CD1-CG 4.43Å; Y51-F98 HydrophobicContact CD2-CB 4.27Å; Y51-F98 HydrophobicContact CD2-CD2 4.04Å; Y51-F98 HydrophobicContact CE1-CB 4.11Å; Y51-F98 HydrophobicContact CE1-CD2 4.36Å; Y51-F98 HydrophobicContact CE2-CB 3.96Å; Y51-F98 AromaticContact CG-CD2 3.7Å; Y51-F98 HydrophobicContact CG-CD2 3.7Å; Y51-F98 HydrophobicContact CG-CE2 4.46Å; L90-F98 HydrophobicContact CD2-CE1 4.36Å; L90-F98 HydrophobicContact CD2-CZ 4.23Å; A93-F98 HydrophobicContact CB-CD1 4.35Å; A93-F98 HydrophobicContact CB-CE1 4.37Å; A93-F98 WeakPolarHBondContact O-CB 3.36Å; S95-F98 PolarHBondContact O-N 2.9Å; S95-F98 VanDerWaalsContact O-N 3.09Å; S95-F98 PolarHBondContact OG-N 3.21Å; F98-L100 HydrophobicContact CE1-CB 4.24Å; F98-L100 HydrophobicContact CE1-CD1 3.64Å; F98-L100 HydrophobicContact CE1-CG 3.78Å; F98-L100 HydrophobicContact CZ-CD1 3.73Å; F98-L100 HydrophobicContact CZ-CG 3.92Å; F98-L100 PolarHBondContact O-N 2.83Å
99H60Low77.5Confident132 Ų13270.4 Ų70.461%0.61134%0.344SS*.  trans-94.771.1-179.4-66.1-60.9000110.9K96 R101K96-H99 PolarHBondContact O-CE1 2.81Å; K96-H99 PolarHBondContact O-NE2 3.01Å; K96-H99 VanDerWaalsContact O-NE2 3.1Å; H99-R101 HydrophobicContact CB-CG 4.47Å; H99-R101 PolarHBondContact O-N 3.48Å
100L68.1Low77.9Confident14 Ų1470.2 Ų70.27%0.07334%0.343CS..  trans-71.694.9137.3-69177.7000103.5M43 L90 Q94 F98 D102 L106M43-L100 HydrophobicContact CG-CD2 4.32Å; L90-L100 HydrophobicContact CD1-CD1 4.42Å; L90-L100 HydrophobicContact CD2-CD1 3.88Å; Q94-L100 PolarHBondContact NE2-O 3.34Å; F98-L100 HydrophobicContact CE1-CB 4.24Å; F98-L100 HydrophobicContact CE1-CD1 3.64Å; F98-L100 HydrophobicContact CE1-CG 3.78Å; F98-L100 HydrophobicContact CZ-CD1 3.73Å; F98-L100 HydrophobicContact CZ-CG 3.92Å; F98-L100 PolarHBondContact O-N 2.83Å; L100-D102 PolarHBondContact O-N 2.97Å; L100-L106 HydrophobicContact CD1-CD2 4.34Å; L100-L106 HydrophobicContact CD2-CD2 4.11Å
101R64.3Low78.3Confident203 Ų20372.8 Ų72.877%0.76636%0.356SS*.THydrogen-bonded Turntrans-52.8-29.9-164.2-117.6175.8-141.8-166.24.7112H99H99-R101 HydrophobicContact CB-CG 4.47Å; H99-R101 PolarHBondContact O-N 3.48Å
102D78.7Confident78.8Confident97 Ų9774 Ų7452%0.51937%0.366SS..THydrogen-bonded Turntrans-144.675.7176.4-57.4-68.5000110.4L100 K104 D105 L106L100-D102 PolarHBondContact O-N 2.97Å; D102-K104 PolarHBondContact O-N 3.43Å; D102-K104 VanDerWaalsContact O-N 3.14Å; D102-D105 HydrophobicContact CB-CB 3.79Å; D102-D105 WeakPolarHBondContact CB-OD2 3.47Å; D102-D105 PolarHBondContact O-N 2.88Å; D102-L106 PolarHBondContact O-N 2.88Å
103T86.5Confident79.7Confident2 Ų268.4 Ų68.41%0.01234%0.336CS..Hα-helixtrans-47.1-42.9176.2-60.10000111.9E87 L90 D105 L106 I107E87-T103 HydrophobicContact CG-CG2 4.34Å; L90-T103 HydrophobicContact CB-CG2 3.44Å; L90-T103 VanDerWaalsContact CB-CG2 3.44Å; L90-T103 HydrophobicContact CD1-CG2 3.95Å; L90-T103 HydrophobicContact CG-CG2 4.34Å; T103-D105 PolarHBondContact O-N 3.33Å; T103-L106 PolarHBondContact O-N 2.84Å; T103-I107 HydrophobicContact CG2-CG1 4.34Å; T103-I107 WeakPolarHBondContact O-CG1 3.33Å; T103-I107 PolarHBondContact O-N 3.37Å
104K90Very high80.9Confident135 Ų13568.3 Ų68.359%0.58734%0.336SS*.Hα-helixtrans-60.8-44.2179.1-177.3-179.8176.5-175.40112.4D102 S108D102-K104 PolarHBondContact O-N 3.43Å; D102-K104 VanDerWaalsContact O-N 3.14Å; K104-S108 VanDerWaalsContact O-CB 3.25Å; K104-S108 WeakPolarHBondContact O-CB 3.26Å; K104-S108 PolarHBondContact O-N 2.71Å; K104-S108 PolarHBondContact O-OG 3.48Å
105D90.9Very high82.2Confident86 Ų8667.3 Ų67.346%0.4633%0.333SS..Hα-helixtrans-69.9-39.2-179.6-67.3-12000110.4D102 T103 S108 N109D102-D105 HydrophobicContact CB-CB 3.79Å; D102-D105 WeakPolarHBondContact CB-OD2 3.47Å; D102-D105 PolarHBondContact O-N 2.88Å; T103-D105 PolarHBondContact O-N 3.33Å; D105-S108 PolarHBondContact O-N 3.32Å; D105-N109 WeakPolarHBondContact O-CB 3.4Å; D105-N109 PolarHBondContact O-N 3.39Å; D105-N109 PolarHBondContact O-ND2 3.02Å
106L92.2Very high83.8Confident14 Ų1470.2 Ų70.27%0.07334%0.343CS..Hα-helixtrans-60.9-49175.3-175.460.6000111.9D40 M43 I44 L100 D102 T103 S108 N109 I110D40-L106 HydrophobicContact CB-CD1 3.81Å; D40-L106 WeakPolarHBondContact OD1-CD1 3.36Å; M43-L106 HydrophobicContact SD-CD1 4.38Å; M43-L106 HydrophobicContact SD-CD2 4.5Å; I44-L106 HydrophobicContact CD1-CD2 4.07Å; I44-L106 HydrophobicContact CD1-CG 4.36Å; I44-L106 HydrophobicContact CG1-CD2 3.44Å; I44-L106 VanDerWaalsContact CG1-CD2 3.44Å; I44-L106 HydrophobicContact CG1-CG 4.22Å; L100-L106 HydrophobicContact CD1-CD2 4.34Å; L100-L106 HydrophobicContact CD2-CD2 4.11Å; D102-L106 PolarHBondContact O-N 2.88Å; T103-L106 PolarHBondContact O-N 2.84Å; L106-S108 VanDerWaalsContact C-N 3.33Å; L106-S108 PolarHBondContact O-N 2.91Å; L106-N109 PolarHBondContact O-N 3.38Å; L106-I110 HydrophobicContact CG-CD1 4.39Å; L106-I110 WeakPolarHBondContact O-CG1 3.32Å; L106-I110 PolarHBondContact O-N 2.93Å
107I95.8Very high85.6Confident6 Ų661.7 Ų61.73%0.03131%0.307CS..Hα-helixtrans-65.7-38.2176.9-64-63.8000111.2I44 L83 L86 E87 L90 T103 I110 N111I44-I107 HydrophobicContact CD1-CD1 4.21Å; L83-I107 HydrophobicContact CB-CG2 4.19Å; L86-I107 HydrophobicContact CD2-CD1 3.84Å; L86-I107 HydrophobicContact CG-CD1 3.98Å; E87-I107 HydrophobicContact CB-CB 4.4Å; E87-I107 HydrophobicContact CB-CG1 3.97Å; E87-I107 HydrophobicContact CB-CG2 4.16Å; E87-I107 HydrophobicContact CG-CB 4.35Å; E87-I107 HydrophobicContact CG-CG1 4.07Å; E87-I107 HydrophobicContact CG-CG2 4.48Å; L90-I107 HydrophobicContact CD1-CD1 4.01Å; L90-I107 HydrophobicContact CD1-CG1 4.43Å; T103-I107 HydrophobicContact CG2-CG1 4.34Å; T103-I107 WeakPolarHBondContact O-CG1 3.33Å; T103-I107 PolarHBondContact O-N 3.37Å; I107-I110 HydrophobicContact CD1-CD1 4.43Å; I107-I110 PolarHBondContact O-N 2.87Å; I107-N111 WeakPolarHBondContact O-CB 3.29Å; I107-N111 PolarHBondContact O-N 3.39Å
108S95.3Very high87.4Confident51 Ų5156.5 Ų56.536%0.35728%0.278SS..Hα-helixtrans-62.8-42.8176.6-61.70000111.8K104 D105 L106 N111 V112K104-S108 VanDerWaalsContact O-CB 3.25Å; K104-S108 WeakPolarHBondContact O-CB 3.26Å; K104-S108 PolarHBondContact O-N 2.71Å; K104-S108 PolarHBondContact O-OG 3.48Å; D105-S108 PolarHBondContact O-N 3.32Å; L106-S108 VanDerWaalsContact C-N 3.33Å; L106-S108 PolarHBondContact O-N 2.91Å; S108-N111 PolarHBondContact O-N 2.86Å; S108-V112 WeakPolarHBondContact O-CG2 3.49Å; S108-V112 PolarHBondContact O-N 3.36Å
109N95.3Very high88.8Confident89 Ų8958 Ų5848%0.47630%0.295SS..Hα-helixtrans-63.1-46.3176-71.5-17.4000111.5D105 L106 N111 V112 I113D105-N109 WeakPolarHBondContact O-CB 3.4Å; D105-N109 PolarHBondContact O-N 3.39Å; D105-N109 PolarHBondContact O-ND2 3.02Å; L106-N109 PolarHBondContact O-N 3.38Å; N109-N111 VanDerWaalsContact C-N 3.3Å; N109-N111 PolarHBondContact O-N 3.02Å; N109-V112 PolarHBondContact O-N 3.42Å; N109-I113 WeakPolarHBondContact O-CG1 3.23Å; N109-I113 PolarHBondContact O-N 2.97Å
110I97.8Very high89.7Confident0 Ų057.3 Ų57.30%031%0.305CS..Hα-helixtrans-56.4-47.1174.5-70.5168.6000110.3L37 D40 I44 L83 L106 I107 V112 I113 V114L37-I110 HydrophobicContact CD1-CB 4.44Å; L37-I110 HydrophobicContact CD1-CG1 4.33Å; L37-I110 HydrophobicContact CD1-CG2 3.74Å; D40-I110 HydrophobicContact CB-CD1 3.92Å; D40-I110 HydrophobicContact CB-CG1 3.63Å; I44-I110 HydrophobicContact CD1-CD1 3.6Å; L83-I110 HydrophobicContact CD1-CG2 3.92Å; L83-I110 HydrophobicContact CD2-CG2 3.57Å; L83-I110 HydrophobicContact CG-CG2 4.42Å; L106-I110 HydrophobicContact CG-CD1 4.39Å; L106-I110 WeakPolarHBondContact O-CG1 3.32Å; L106-I110 PolarHBondContact O-N 2.93Å; I107-I110 HydrophobicContact CD1-CD1 4.43Å; I107-I110 PolarHBondContact O-N 2.87Å; I110-V112 PolarHBondContact O-N 3.36Å; I110-I113 PolarHBondContact O-N 3.37Å; I110-V114 HydrophobicContact CG2-CG2 4.09Å; I110-V114 WeakPolarHBondContact O-CB 3.42Å; I110-V114 VanDerWaalsContact O-CG2 3.31Å; I110-V114 WeakPolarHBondContact O-CG2 3.42Å; I110-V114 PolarHBondContact O-N 3.25Å
111N97.3Very high89.8Confident54 Ų5462.2 Ų62.229%0.28933%0.328SS..Hα-helixtrans-60.4-44.8-179-171.243.9000112L83 I107 S108 N109 I113 V114 L115L83-N111 HydrophobicContact CD1-CB 3.67Å; I107-N111 WeakPolarHBondContact O-CB 3.29Å; I107-N111 PolarHBondContact O-N 3.39Å; S108-N111 PolarHBondContact O-N 2.86Å; N109-N111 VanDerWaalsContact C-N 3.3Å; N109-N111 PolarHBondContact O-N 3.02Å; N111-I113 VanDerWaalsContact C-N 3.33Å; N111-I113 PolarHBondContact O-N 3.02Å; N111-V114 PolarHBondContact O-N 2.92Å; N111-L115 WeakPolarHBondContact O-CB 3.34Å; N111-L115 VanDerWaalsContact O-CG 3.24Å; N111-L115 WeakPolarHBondContact O-CG 3.25Å; N111-L115 PolarHBondContact O-N 3Å
112V96.8Very high89.9Confident88 Ų8857.3 Ų57.353%0.53332%0.321SS..Hα-helixtrans-59.3-45.3176.5170.70000111.1S108 N109 I110 L115 E116S108-V112 WeakPolarHBondContact O-CG2 3.49Å; S108-V112 PolarHBondContact O-N 3.36Å; N109-V112 PolarHBondContact O-N 3.42Å; I110-V112 PolarHBondContact O-N 3.36Å; V112-L115 PolarHBondContact O-N 3.45Å; V112-E116 PolarHBondContact O-N 3.33Å; V112-E116 VanDerWaalsContact O-N 3.12Å
113I97.2Very high89.7Confident20 Ų2057.9 Ų57.910%0.10333%0.328CS..Hα-helixtrans-65.1-43.9178.9-65.7164.6000111Q33 H36 L37 N109 I110 N111 E116 L117Q33-I113 HydrophobicContact CB-CG2 4.17Å; Q33-I113 WeakPolarHBondContact O-CG2 3.32Å; H36-I113 HydrophobicContact CB-CD1 3.81Å; L37-I113 HydrophobicContact CB-CG2 3.91Å; N109-I113 WeakPolarHBondContact O-CG1 3.23Å; N109-I113 PolarHBondContact O-N 2.97Å; I110-I113 PolarHBondContact O-N 3.37Å; N111-I113 VanDerWaalsContact C-N 3.33Å; N111-I113 PolarHBondContact O-N 3.02Å; I113-E116 PolarHBondContact O-N 2.96Å; I113-L117 HydrophobicContact CG2-CD1 3.65Å; I113-L117 HydrophobicContact CG2-CG 4.19Å; I113-L117 WeakPolarHBondContact O-CB 3.25Å; I113-L117 WeakPolarHBondContact O-CG 3.4Å; I113-L117 PolarHBondContact O-N 2.86Å
114V96.6Very high89.3Confident0 Ų059.3 Ų59.30%034%0.335CS..Hα-helixtrans-61-47178.3162.40000111.3L37 L76 L79 E80 I110 N111 E116 L117 K118L37-V114 HydrophobicContact CD1-CG2 4.22Å; L37-V114 HydrophobicContact CD2-CG2 4.28Å; L76-V114 HydrophobicContact CB-CG1 4.07Å; L76-V114 WeakPolarHBondContact O-CG1 3.32Å; L79-V114 HydrophobicContact CD2-CG2 3.8Å; L79-V114 HydrophobicContact CG-CG2 4.23Å; E80-V114 HydrophobicContact CB-CG1 3.81Å; E80-V114 HydrophobicContact CG-CG1 4.45Å; I110-V114 HydrophobicContact CG2-CG2 4.09Å; I110-V114 WeakPolarHBondContact O-CB 3.42Å; I110-V114 VanDerWaalsContact O-CG2 3.31Å; I110-V114 WeakPolarHBondContact O-CG2 3.42Å; I110-V114 PolarHBondContact O-N 3.25Å; N111-V114 PolarHBondContact O-N 2.92Å; V114-E116 VanDerWaalsContact C-N 3.27Å; V114-E116 PolarHBondContact O-N 3.46Å; V114-L117 PolarHBondContact O-N 3.19Å; V114-K118 WeakPolarHBondContact O-CB 3.48Å; V114-K118 WeakPolarHBondContact O-CG 3.42Å; V114-K118 PolarHBondContact O-N 3.37Å
115L94.7Very high89.2Confident73 Ų7360.9 Ų60.938%0.38235%0.346SS..Hα-helixtrans-57.8-41.2176.5-74.2172.2000111.7E80 N111 V112E80-L115 VanDerWaalsContact OE1-CD2 3.24Å; E80-L115 WeakPolarHBondContact OE1-CD2 3.47Å; N111-L115 WeakPolarHBondContact O-CB 3.34Å; N111-L115 VanDerWaalsContact O-CG 3.24Å; N111-L115 WeakPolarHBondContact O-CG 3.25Å; N111-L115 PolarHBondContact O-N 3Å; V112-L115 PolarHBondContact O-N 3.45Å
116E94Very high89.2Confident90 Ų9057.6 Ų57.642%0.42133%0.33SS..Hα-helixtrans-72.3-40.8-179.9-167.1169.5175.600112.7K29 Q33 V112 I113 V114K29-E116 WeakPolarHBondContact CE-OE1 3.47Å; K29-E116 IonicContact NZ-OE1 2.61Å; K29-E116 PolarHBondContact NZ-OE1 3.19Å; Q33-E116 PolarHBondContact NE2-OE1 3.08Å; Q33-E116 PolarHBondContact NE2-OE2 2.96Å; V112-E116 PolarHBondContact O-N 3.33Å; V112-E116 VanDerWaalsContact O-N 3.12Å; I113-E116 PolarHBondContact O-N 2.96Å; V114-E116 VanDerWaalsContact C-N 3.27Å; V114-E116 PolarHBondContact O-N 3.46Å
117L94.9Very high89.2Confident11 Ų1163.9 Ų63.96%0.05836%0.359CS..Hα-helixtrans-70.8-41.3-179.4-76.4174.1000113.2T30 Q33 L34 L37 L73 L76 I113 V114 G119T30-L117 HydrophobicContact CG2-CD2 3.87Å; Q33-L117 HydrophobicContact CB-CD1 4.25Å; Q33-L117 HydrophobicContact CB-CD2 3.7Å; Q33-L117 HydrophobicContact CB-CG 4Å; L34-L117 HydrophobicContact CD2-CD1 3.87Å; L34-L117 HydrophobicContact CG-CD1 4.06Å; L34-L117 HydrophobicContact CG-CD2 4.13Å; L37-L117 HydrophobicContact CD2-CD1 4.06Å; L73-L117 WeakPolarHBondContact CB-O 3.5Å; L73-L117 HydrophobicContact CD2-CB 4.49Å; L73-L117 HydrophobicContact CD2-CD2 4.45Å; L76-L117 HydrophobicContact CD1-CB 3.54Å; L76-L117 HydrophobicContact CD1-CD1 3.88Å; L76-L117 HydrophobicContact CD1-CG 4.37Å; I113-L117 HydrophobicContact CG2-CD1 3.65Å; I113-L117 HydrophobicContact CG2-CG 4.19Å; I113-L117 WeakPolarHBondContact O-CB 3.25Å; I113-L117 WeakPolarHBondContact O-CG 3.4Å; I113-L117 PolarHBondContact O-N 2.86Å; V114-L117 PolarHBondContact O-N 3.19Å; L117-G119 VanDerWaalsContact C-N 3.25Å; L117-G119 PolarHBondContact O-N 3.01Å
118K91.9Very high89.1Confident17 Ų1766.6 Ų66.67%0.07437%0.369CS..Hα-helixtrans-72.4-21.2-178.976.5-179.2174.8133.50112.9L76 E80 V114L76-K118 HydrophobicContact CB-CB 4.28Å; E80-K118 IonicContact OE1-NZ 3.5Å; E80-K118 PolarHBondContact OE1-NZ 2.86Å; E80-K118 VanDerWaalsContact OE2-CE 3.31Å; E80-K118 WeakPolarHBondContact OE2-CE 3.37Å; E80-K118 IonicContact OE2-NZ 2.65Å; E80-K118 PolarHBondContact OE2-NZ 3.17Å; V114-K118 WeakPolarHBondContact O-CB 3.48Å; V114-K118 WeakPolarHBondContact O-CG 3.42Å; V114-K118 PolarHBondContact O-N 3.37Å
119G86.5Confident89.1Confident37 Ų3765.3 Ų65.338%0.38136%0.362SS..  trans79-168.2-177.700000113.7L117 E121L117-G119 VanDerWaalsContact C-N 3.25Å; L117-G119 PolarHBondContact O-N 3.01Å; G119-E121 VanDerWaalsContact C-N 3.29Å; G119-E121 PolarHBondContact O-N 3.17Å
120S79.1Confident88.9Confident117 Ų11768.6 Ų68.682%0.81838%0.379SS*.SBendtrans-80.2-6.7-177.4520000114.3T122S120-T122 PolarHBondContact O-N 3.22Å
121E69.1Low88.7Confident116 Ų11675.7 Ų75.754%0.54241%0.413SS..  trans-73.893.5179.7-166.6172.7-174.400109.9G119 T123G119-E121 VanDerWaalsContact C-N 3.29Å; G119-E121 PolarHBondContact O-N 3.17Å; E121-T123 WeakPolarHBondContact CG-OG1 3.43Å
122T66.9Low88.6Confident101 Ų10175.6 Ų75.662%0.6241%0.414SS*.  trans-90.7-0.2178.149.60000113S120 L124S120-T122 PolarHBondContact O-N 3.22Å; T122-L124 VanDerWaalsContact C-N 3.3Å; T122-L124 PolarHBondContact O-N 2.7Å
123T74.6Confident88.5Confident108 Ų10871.5 Ų71.566%0.66339%0.389SS*.  trans-83.2-4.4-173.547.60000113.9E121 M125E121-T123 WeakPolarHBondContact CG-OG1 3.43Å; T123-M125 PolarHBondContact O-N 3.27Å
124L78.9Confident88.3Confident32 Ų3272 Ų7217%0.16839%0.394CS..  trans-73.3110.8177.1-172.1134.2000109.6K74 Q77 T122K74-L124 HydrophobicContact CB-CD1 3.95Å; K74-L124 HydrophobicContact CD-CD1 3.51Å; K74-L124 HydrophobicContact CG-CD1 3.54Å; Q77-L124 HydrophobicContact CB-CD2 3.99Å; Q77-L124 HydrophobicContact CG-CD2 4.29Å; Q77-L124 WeakPolarHBondContact CG-O 3.23Å; T122-L124 VanDerWaalsContact C-N 3.3Å; T122-L124 PolarHBondContact O-N 2.7Å
125M87.2Confident88.1Confident168 Ų16872 Ų7283%0.82839%0.394SS*.  trans-79.4133.5165-60.9-141.691.400109.1T123 E127T123-M125 PolarHBondContact O-N 3.27Å; M125-E127 PolarHBondContact O-N 3.24Å
126C90.5Very high88.1Confident17 Ų1770.4 Ų70.412%0.11539%0.387CS..  trans-70.1115.1177.2-74.70000111.8C78 Y128C78-C126 WeakPolarHBondContact CA-SG 3.34Å; C78-C126 HydrophobicContact CB-CB 3.97Å; C78-C126 WeakPolarHBondContact CB-SG 3.5Å; C78-C126 PolarHBondContact N-SG 3.13Å; C78-C126 WeakPolarHBondContact SG-CB 3.23Å; C78-C126 CovalentContact SG-SG 2.04Å; C78-C126 PolarHBondContact SG-SG 3.35Å; C126-Y128 HydrophobicContact CB-CD1 4.22Å; C126-Y128 HydrophobicContact CB-CD2 4.17Å; C126-Y128 HydrophobicContact CB-CE1 3.64Å; C126-Y128 HydrophobicContact CB-CE2 3.55Å; C126-Y128 HydrophobicContact CB-CG 4.47Å; C126-Y128 WeakPolarHBondContact CB-OH 3.25Å; C126-Y128 WeakPolarHBondContact O-CD2 3.42Å; C126-Y128 PolarHBondContact O-N 3.3Å; C126-Y128 VanDerWaalsContact O-N 3.12Å
127E92.9Very high88.1Confident146 Ų14670.3 Ų70.368%0.68239%0.387SS*.  trans-79.189.3169.2-68.6-174.5-166.400109.7P67 K68 M125P67-E127 CarbonylContact C-O 3.51Å; P67-E127 VanDerWaalsContact CA-O 3.32Å; P67-E127 WeakPolarHBondContact CA-O 3.43Å; K68-E127 PolarHBondContact N-O 2.81Å; M125-E127 PolarHBondContact O-N 3.24Å
128Y94.6Very high88.2Confident63 Ų6369.8 Ų69.825%0.24738%0.384CS..BIsolated β-bridgetrans-70.6143.1-178.9-64.2-63.1000113Y65 M66 K68 C78 E81 C126Y65-Y128 VanDerWaalsContact CB-CD1 3.46Å; Y65-Y128 HydrophobicContact CD1-CG 4.47Å; Y65-Y128 HydrophobicContact CG-CD1 4.43Å; M66-Y128 CarbonylContact O-C 3.52Å; M66-Y128 WeakPolarHBondContact O-CA 3.44Å; K68-Y128 WeakPolarHBondContact CE-O 3.45Å; K68-Y128 WeakPolarHBondContact CG-O 3.4Å; C78-Y128 HydrophobicContact CB-CE1 4.26Å; E81-Y128 PolarHBondContact OE2-OH 3.14Å; C126-Y128 HydrophobicContact CB-CD1 4.22Å; C126-Y128 HydrophobicContact CB-CD2 4.17Å; C126-Y128 HydrophobicContact CB-CE1 3.64Å; C126-Y128 HydrophobicContact CB-CE2 3.55Å; C126-Y128 HydrophobicContact CB-CG 4.47Å; C126-Y128 WeakPolarHBondContact CB-OH 3.25Å; C126-Y128 WeakPolarHBondContact O-CD2 3.42Å; C126-Y128 PolarHBondContact O-N 3.3Å; C126-Y128 VanDerWaalsContact O-N 3.12Å
129A94.3Very high88.5Confident25 Ų2569 Ų6921%0.20738%0.38CS..  trans-68.1153.8168.200000110.3M66 K68 E131M66-A129 PolarHBondContact O-N 3.36Å; K68-A129 HydrophobicContact CG-CB 4.2Å; A129-E131 PolarHBondContact O-N 3.01Å
130D91.6Very high89Confident157 Ų15770.4 Ų70.484%0.8438%0.379SS*.SBendtrans-67.3-24.7178.3-56.2-38.9000111.6
131E92.6Very high89.9Confident149 Ų14970.3 Ų70.370%0.69636%0.361SS*.SBendtrans-97128.5177.8-64.9-178.5178.500112A129A129-E131 PolarHBondContact O-N 3.01Å
132T95Very high91.3Very high52 Ų5264.9 Ų64.932%0.31934%0.335SS..PPolyproline II helixtrans-82.4148.6171600000112.1K63 F64 Y65K63-T132 HydrophobicContact CB-CG2 4.17Å; K63-T132 WeakPolarHBondContact CB-OG1 3.38Å; K63-T132 WeakPolarHBondContact CD-OG1 3.46Å; K63-T132 WeakPolarHBondContact CG-OG1 3.19Å; F64-T132 CarbonylContact O-C 3.52Å; F64-T132 WeakPolarHBondContact O-CA 3.4Å; F64-T132 WeakPolarHBondContact O-CB 3.29Å; Y65-T132 HydrophobicContact CD1-CG2 4.19Å; Y65-T132 HydrophobicContact CE1-CG2 4.13Å
133A95.4Very high92.8Very high2 Ų260.5 Ų60.52%0.01731%0.308CS..BIsolated β-bridgetrans-96.1145.9178.500000112.2K63 F64 M66 E137 F138K63-A133 WeakPolarHBondContact CA-O 3.35Å; F64-A133 PolarHBondContact N-O 3.1Å; F64-A133 PolarHBondContact O-N 3.49Å; M66-A133 HydrophobicContact CG-CB 3.71Å; A133-E137 HydrophobicContact CB-CB 3.92Å; A133-F138 HydrophobicContact CB-CB 4.15Å
134T93.6Very high93.9Very high32 Ų3259.3 Ų59.320%0.19630%0.3CS..PPolyproline II helixtrans-66163.5159.761.20000110.3V136 E137 F138T134-V136 PolarHBondContact O-N 3.47Å; T134-E137 WeakPolarHBondContact CB-OE2 3.33Å; T134-E137 PolarHBondContact N-OE2 3.01Å; T134-E137 PolarHBondContact O-N 3.04Å; T134-E137 VanDerWaalsContact O-N 3.15Å; T134-E137 VanDerWaalsContact OG1-CD 3.23Å; T134-E137 WeakPolarHBondContact OG1-CG 3.47Å; T134-E137 PolarHBondContact OG1-N 3.35Å; T134-E137 PolarHBondContact OG1-OE2 3.35Å; T134-F138 WeakPolarHBondContact O-CB 3.23Å; T134-F138 PolarHBondContact O-N 3.41Å
135I92.7Very high94.8Very high0 Ų058.2 Ų58.20%030%0.295CS..Hα-helixtrans-56.3-37178.1-167.3153.5000113.6I48 M59 L60 F64 L86 V89 L139I48-I135 HydrophobicContact CD1-CD1 3.8Å; I48-I135 HydrophobicContact CD1-CG1 3.77Å; I48-I135 HydrophobicContact CD1-CG2 4.24Å; M59-I135 HydrophobicContact CE-CD1 3.27Å; M59-I135 HydrophobicContact CE-CG1 4.36Å; M59-I135 HydrophobicContact CG-CD1 4.25Å; M59-I135 HydrophobicContact CG-CG2 4.34Å; L60-I135 HydrophobicContact CD2-CG2 3.84Å; F64-I135 HydrophobicContact CD2-CB 4.33Å; F64-I135 HydrophobicContact CE2-CB 3.69Å; F64-I135 HydrophobicContact CE2-CD1 4.03Å; F64-I135 HydrophobicContact CE2-CG1 3.9Å; F64-I135 HydrophobicContact CZ-CD1 4.08Å; F64-I135 HydrophobicContact CZ-CG1 4.32Å; L86-I135 HydrophobicContact CD1-CD1 3.52Å; L86-I135 HydrophobicContact CD1-CG1 4.02Å; V89-I135 HydrophobicContact CG1-CD1 3.71Å; I135-L139 HydrophobicContact CG1-CD1 4.04Å; I135-L139 HydrophobicContact CG1-CG 4.42Å; I135-L139 WeakPolarHBondContact O-CB 3.35Å; I135-L139 VanDerWaalsContact O-CG 3.23Å; I135-L139 WeakPolarHBondContact O-CG 3.29Å; I135-L139 PolarHBondContact O-N 3.19Å
136V92.9Very high95.4Very high39 Ų3950.2 Ų50.224%0.23626%0.255CS..Hα-helixtrans-69.1-43.9179.2173.10000110.5L45 I48 L60 T134 N140L45-V136 HydrophobicContact CD1-CG1 4.16Å; L45-V136 HydrophobicContact CD1-CG2 4.48Å; I48-V136 HydrophobicContact CG2-CG2 4.23Å; L60-V136 HydrophobicContact CD2-CG2 4.1Å; T134-V136 PolarHBondContact O-N 3.47Å; V136-N140 WeakPolarHBondContact CG1-ND2 3.49Å; V136-N140 WeakPolarHBondContact O-CB 3.41Å; V136-N140 PolarHBondContact O-N 3.07Å; V136-N140 PolarHBondContact O-ND2 3.09Å
137E95.3Very high95.7Very high88 Ų8853.3 Ų53.341%0.41127%0.268SS..Hα-helixtrans-65.5-42.1176.2-70.8161.8157.500111.6A133 T134 N140 R141A133-E137 HydrophobicContact CB-CB 3.92Å; T134-E137 WeakPolarHBondContact CB-OE2 3.33Å; T134-E137 PolarHBondContact N-OE2 3.01Å; T134-E137 PolarHBondContact O-N 3.04Å; T134-E137 VanDerWaalsContact O-N 3.15Å; T134-E137 VanDerWaalsContact OG1-CD 3.23Å; T134-E137 WeakPolarHBondContact OG1-CG 3.47Å; T134-E137 PolarHBondContact OG1-N 3.35Å; T134-E137 PolarHBondContact OG1-OE2 3.35Å; E137-N140 PolarHBondContact O-N 3.14Å; E137-R141 WeakPolarHBondContact O-CB 3.35Å; E137-R141 VanDerWaalsContact O-CG 3.29Å; E137-R141 WeakPolarHBondContact O-CG 3.35Å; E137-R141 PolarHBondContact O-N 3.33Å
138F97.1Very high95.9Very high0 Ų049.8 Ų49.80%026%0.259CS..Hα-helixtrans-57-54176.9176.9-95.6000111F64 M66 L79 E82 L86 A133 T134 N140 R141 W142F64-F138 HydrophobicContact CB-CB 4.08Å; F64-F138 HydrophobicContact CB-CD2 3.43Å; F64-F138 VanDerWaalsContact CB-CD2 3.43Å; F64-F138 HydrophobicContact CB-CE2 4Å; F64-F138 HydrophobicContact CB-CG 3.85Å; F64-F138 HydrophobicContact CD1-CD1 4.47Å; F64-F138 HydrophobicContact CD1-CD2 4.28Å; F64-F138 HydrophobicContact CD1-CE2 4.32Å; F64-F138 HydrophobicContact CD1-CG 4.35Å; F64-F138 HydrophobicContact CD1-CZ 4.44Å; F64-F138 HydrophobicContact CD2-CB 4.21Å; F64-F138 HydrophobicContact CD2-CG 4.35Å; F64-F138 HydrophobicContact CG-CB 4.19Å; F64-F138 HydrophobicContact CG-CD1 4.41Å; F64-F138 AromaticContact CG-CD2 3.93Å; F64-F138 HydrophobicContact CG-CD2 3.93Å; F64-F138 HydrophobicContact CG-CE2 4.4Å; F64-F138 AromaticContact CG-CG 3.92Å; F64-F138 HydrophobicContact CG-CG 3.92Å; M66-F138 HydrophobicContact CG-CD2 4.36Å; M66-F138 HydrophobicContact SD-CD2 3.52Å; M66-F138 VanDerWaalsContact SD-CD2 3.52Å; M66-F138 HydrophobicContact SD-CE2 4.01Å; M66-F138 HydrophobicContact SD-CG 4.4Å; L79-F138 HydrophobicContact CD1-CE1 3.85Å; L79-F138 HydrophobicContact CD1-CZ 3.57Å; E82-F138 HydrophobicContact CB-CE2 3.77Å; E82-F138 HydrophobicContact CB-CZ 3.64Å; E82-F138 HydrophobicContact CG-CE2 4.04Å; E82-F138 HydrophobicContact CG-CZ 4.41Å; L86-F138 HydrophobicContact CD2-CE1 4.23Å; A133-F138 HydrophobicContact CB-CB 4.15Å; T134-F138 WeakPolarHBondContact O-CB 3.23Å; T134-F138 PolarHBondContact O-N 3.41Å; F138-N140 PolarHBondContact O-N 2.95Å; F138-R141 PolarHBondContact O-N 3.04Å; F138-W142 AromaticContact CD2-NE1 3.78Å; F138-W142 AromaticContact CE1-CD1 3.72Å; F138-W142 AromaticContact CE1-NE1 3.97Å; F138-W142 AromaticContact CE2-CD1 3.75Å; F138-W142 AromaticContact CE2-NE1 3.21Å; F138-W142 AromaticContact CZ-CD1 3.59Å; F138-W142 AromaticContact CZ-NE1 3.32Å; F138-W142 VanDerWaalsContact CZ-NE1 3.32Å; F138-W142 VanDerWaalsContact O-CD1 3.22Å; F138-W142 PolarHBondContact O-N 3.48Å
139L97.1Very high96Very high0 Ų047.5 Ų47.50%025%0.251CS..Hα-helixtrans-62.5-45.3179.6-68.2169.5000111.9L41 I44 L45 I48 L86 I135 R141 W142 I143L41-L139 HydrophobicContact CD2-CD2 3.89Å; I44-L139 HydrophobicContact CB-CD1 4.26Å; I44-L139 HydrophobicContact CB-CD2 4.31Å; I44-L139 HydrophobicContact CG2-CD1 3.63Å; I44-L139 HydrophobicContact CG2-CD2 4.09Å; L45-L139 HydrophobicContact CB-CB 4.46Å; L45-L139 HydrophobicContact CB-CD1 4.12Å; L45-L139 HydrophobicContact CD1-CB 4.42Å; L45-L139 HydrophobicContact CD1-CD1 4.29Å; I48-L139 HydrophobicContact CD1-CD1 3.53Å; L86-L139 HydrophobicContact CD2-CD2 4.42Å; I135-L139 HydrophobicContact CG1-CD1 4.04Å; I135-L139 HydrophobicContact CG1-CG 4.42Å; I135-L139 WeakPolarHBondContact O-CB 3.35Å; I135-L139 VanDerWaalsContact O-CG 3.23Å; I135-L139 WeakPolarHBondContact O-CG 3.29Å; I135-L139 PolarHBondContact O-N 3.19Å; L139-R141 VanDerWaalsContact C-N 3.32Å; L139-R141 PolarHBondContact O-N 2.94Å; L139-W142 PolarHBondContact O-N 3.24Å; L139-I143 WeakPolarHBondContact O-CB 3.45Å; L139-I143 WeakPolarHBondContact O-CD1 3.31Å; L139-I143 VanDerWaalsContact O-CG1 3.25Å; L139-I143 WeakPolarHBondContact O-CG1 3.44Å; L139-I143 PolarHBondContact O-N 3Å
140N97.7Very high96.1Very high66 Ų6647.4 Ų47.435%0.35325%0.247SC..Hα-helixtrans-60.5-41.2179.1-81.3-49.8000112.2L45 V136 E137 F138 I143 T144L45-N140 WeakPolarHBondContact CD2-OD1 3.4Å; V136-N140 WeakPolarHBondContact CG1-ND2 3.49Å; V136-N140 WeakPolarHBondContact O-CB 3.41Å; V136-N140 PolarHBondContact O-N 3.07Å; V136-N140 PolarHBondContact O-ND2 3.09Å; E137-N140 PolarHBondContact O-N 3.14Å; F138-N140 PolarHBondContact O-N 2.95Å; N140-I143 PolarHBondContact O-N 3.5Å; N140-T144 PolarHBondContact O-N 3.13Å; N140-T144 PolarHBondContact O-OG1 3.48Å; N140-T144 VanDerWaalsContact O-OG1 3.08Å
141R97.8Very high96.2Very high116 Ų11644 Ų4444%0.43824%0.235SC..Hα-helixtrans-65.1-40.5178.7-72.2179.6-176.3-1614.1112M66 E137 F138 L139 T144 F145M66-R141 HydrophobicContact CE-CB 3.56Å; M66-R141 HydrophobicContact CE-CG 4.24Å; M66-R141 HydrophobicContact SD-CB 4.4Å; E137-R141 WeakPolarHBondContact O-CB 3.35Å; E137-R141 VanDerWaalsContact O-CG 3.29Å; E137-R141 WeakPolarHBondContact O-CG 3.35Å; E137-R141 PolarHBondContact O-N 3.33Å; F138-R141 PolarHBondContact O-N 3.04Å; L139-R141 VanDerWaalsContact C-N 3.32Å; L139-R141 PolarHBondContact O-N 2.94Å; R141-T144 PolarHBondContact O-N 3.19Å; R141-F145 WeakPolarHBondContact O-CB 3.25Å; R141-F145 PolarHBondContact O-N 3.38Å
142W98.5Very high96.2Very high1 Ų141.9 Ų41.90%0.00423%0.233CC..Hα-helixtrans-70.7-34175-72.6115.1000113.3L41 P67 A70 H75 L76 C78 L79 F138 L139 F145 C146L41-W142 HydrophobicContact CD1-CB 3.77Å; P67-W142 HydrophobicContact CG-CH2 4.21Å; P67-W142 HydrophobicContact CG-CZ2 4.23Å; A70-W142 HydrophobicContact CB-CH2 4.41Å; A70-W142 HydrophobicContact CB-CZ3 4.3Å; H75-W142 VanDerWaalsContact O-CH2 3.28Å; H75-W142 WeakPolarHBondContact O-CH2 3.48Å; L76-W142 HydrophobicContact CD2-CE3 4.05Å; L76-W142 HydrophobicContact CD2-CZ3 3.86Å; C78-W142 HydrophobicContact CB-CH2 4.29Å; C78-W142 HydrophobicContact CB-CZ2 4.15Å; L79-W142 HydrophobicContact CB-CD2 3.99Å; L79-W142 HydrophobicContact CB-CE3 4.23Å; L79-W142 HydrophobicContact CB-CH2 3.93Å; L79-W142 HydrophobicContact CB-CZ2 3.64Å; L79-W142 HydrophobicContact CB-CZ3 4.21Å; L79-W142 HydrophobicContact CD1-CD2 4.3Å; L79-W142 HydrophobicContact CD1-CG 4.14Å; L79-W142 HydrophobicContact CD2-CD2 4.13Å; L79-W142 HydrophobicContact CD2-CE3 4.31Å; L79-W142 HydrophobicContact CD2-CG 4.28Å; L79-W142 HydrophobicContact CG-CD2 4.37Å; F138-W142 AromaticContact CD2-NE1 3.78Å; F138-W142 AromaticContact CE1-CD1 3.72Å; F138-W142 AromaticContact CE1-NE1 3.97Å; F138-W142 AromaticContact CE2-CD1 3.75Å; F138-W142 AromaticContact CE2-NE1 3.21Å; F138-W142 AromaticContact CZ-CD1 3.59Å; F138-W142 AromaticContact CZ-NE1 3.32Å; F138-W142 VanDerWaalsContact CZ-NE1 3.32Å; F138-W142 VanDerWaalsContact O-CD1 3.22Å; F138-W142 PolarHBondContact O-N 3.48Å; L139-W142 PolarHBondContact O-N 3.24Å; W142-F145 HydrophobicContact CE3-CB 4.15Å; W142-F145 AromaticContact CE3-CD1 3.93Å; W142-F145 HydrophobicContact CE3-CD1 3.93Å; W142-F145 HydrophobicContact CE3-CG 4.03Å; W142-F145 HydrophobicContact CZ3-CD1 4.12Å; W142-F145 HydrophobicContact CZ3-CD2 4.49Å; W142-F145 HydrophobicContact CZ3-CE1 4.43Å; W142-F145 HydrophobicContact CZ3-CG 4.16Å; W142-F145 WeakPolarHBondContact O-CB 3.4Å; W142-F145 PolarHBondContact O-N 3.36Å; W142-C146 PolarHBondContact O-N 3.42Å; W142-C146 PolarHBondContact O-SG 3.36Å
143I98.6Very high95.9Very high10 Ų1041.8 Ų41.85%0.05123%0.23CC..Hα-helixtrans-60.8-49.6170.8-75.5165.5000110.2L38 L41 Q42 L45 L139 N140 F145 C146 Q147L38-I143 HydrophobicContact CD1-CB 4.18Å; L38-I143 HydrophobicContact CD1-CG1 4.22Å; L38-I143 HydrophobicContact CD1-CG2 3.71Å; L41-I143 HydrophobicContact CB-CD1 4.25Å; L41-I143 HydrophobicContact CB-CG1 3.73Å; L41-I143 HydrophobicContact CD1-CG1 4.41Å; Q42-I143 HydrophobicContact CG-CD1 3.94Å; Q42-I143 HydrophobicContact CG-CG1 4.26Å; L45-I143 HydrophobicContact CB-CD1 4.34Å; L45-I143 HydrophobicContact CD2-CD1 3.71Å; L139-I143 WeakPolarHBondContact O-CB 3.45Å; L139-I143 WeakPolarHBondContact O-CD1 3.31Å; L139-I143 VanDerWaalsContact O-CG1 3.25Å; L139-I143 WeakPolarHBondContact O-CG1 3.44Å; L139-I143 PolarHBondContact O-N 3Å; N140-I143 PolarHBondContact O-N 3.5Å; I143-F145 VanDerWaalsContact C-N 3.31Å; I143-F145 PolarHBondContact O-N 3.21Å; I143-C146 PolarHBondContact O-N 3.46Å; I143-Q147 WeakPolarHBondContact O-CG 3.5Å; I143-Q147 PolarHBondContact O-N 3.18Å
144T98.2Very high94.9Very high82 Ų8248.8 Ų48.850%0.50327%0.273SS..Hα-helixtrans-62-39.2176.3-60.90000111.8N140 R141 Q147 S148N140-T144 PolarHBondContact O-N 3.13Å; N140-T144 PolarHBondContact O-OG1 3.48Å; N140-T144 VanDerWaalsContact O-OG1 3.08Å; R141-T144 PolarHBondContact O-N 3.19Å; T144-Q147 PolarHBondContact O-N 3.39Å; T144-S148 WeakPolarHBondContact O-CB 3.26Å; T144-S148 PolarHBondContact O-N 2.84Å
145F98.2Very high95Very high10 Ų1049.6 Ų49.64%0.04428%0.276CS..Hα-helixtrans-56.5-52.5172.3170.6-92.2000111.3A70 E72 L76 R141 W142 I143 Q147 S148 I149A70-F145 HydrophobicContact CB-CD2 3.75Å; A70-F145 HydrophobicContact CB-CE2 4.1Å; A70-F145 WeakPolarHBondContact O-CD2 3.49Å; E72-F145 WeakPolarHBondContact O-CZ 3.39Å; L76-F145 HydrophobicContact CD1-CE1 4.29Å; L76-F145 HydrophobicContact CD2-CD1 4.08Å; L76-F145 HydrophobicContact CD2-CE1 3.58Å; L76-F145 HydrophobicContact CD2-CZ 4.37Å; L76-F145 HydrophobicContact CG-CE1 3.78Å; L76-F145 HydrophobicContact CG-CZ 4.17Å; R141-F145 WeakPolarHBondContact O-CB 3.25Å; R141-F145 PolarHBondContact O-N 3.38Å; W142-F145 HydrophobicContact CE3-CB 4.15Å; W142-F145 AromaticContact CE3-CD1 3.93Å; W142-F145 HydrophobicContact CE3-CD1 3.93Å; W142-F145 HydrophobicContact CE3-CG 4.03Å; W142-F145 HydrophobicContact CZ3-CD1 4.12Å; W142-F145 HydrophobicContact CZ3-CD2 4.49Å; W142-F145 HydrophobicContact CZ3-CE1 4.43Å; W142-F145 HydrophobicContact CZ3-CG 4.16Å; W142-F145 WeakPolarHBondContact O-CB 3.4Å; W142-F145 PolarHBondContact O-N 3.36Å; I143-F145 VanDerWaalsContact C-N 3.31Å; I143-F145 PolarHBondContact O-N 3.21Å; F145-Q147 VanDerWaalsContact C-N 3.35Å; F145-Q147 PolarHBondContact O-N 2.95Å; F145-S148 PolarHBondContact O-N 2.82Å; F145-I149 HydrophobicContact CD1-CG1 4.49Å; F145-I149 HydrophobicContact CD2-CG1 4.43Å; F145-I149 HydrophobicContact CE1-CG1 4.05Å; F145-I149 HydrophobicContact CE2-CD1 4.14Å; F145-I149 HydrophobicContact CE2-CG1 4.02Å; F145-I149 HydrophobicContact CZ-CD1 4.23Å; F145-I149 HydrophobicContact CZ-CG1 3.82Å; F145-I149 WeakPolarHBondContact O-CG1 3.18Å; F145-I149 PolarHBondContact O-N 3.24Å
146C98.1Very high95.1Very high0 Ų052.2 Ų52.20%029%0.291CS..Hα-helixtrans-58.9-47-179.7-64.60000111.4L38 W142 I143 S148 I149 I150L38-C146 HydrophobicContact CB-CB 4.06Å; L38-C146 HydrophobicContact CD1-CB 4.28Å; W142-C146 PolarHBondContact O-N 3.42Å; W142-C146 PolarHBondContact O-SG 3.36Å; I143-C146 PolarHBondContact O-N 3.46Å; C146-S148 VanDerWaalsContact C-N 3.34Å; C146-S148 PolarHBondContact O-N 3.13Å; C146-I149 PolarHBondContact O-N 3.11Å; C146-I150 WeakPolarHBondContact O-CD1 3.34Å; C146-I150 VanDerWaalsContact O-CG1 3.23Å; C146-I150 WeakPolarHBondContact O-CG1 3.06Å; C146-I150 PolarHBondContact O-N 3.13Å
147Q98Very high95.2Very high82 Ų8252.9 Ų52.938%0.38329%0.294SS..Hα-helixtrans-58-46.1176.9-70.8169.4-24.600111.7L38 I143 T144 F145 I149 I150 S151L38-Q147 HydrophobicContact CD1-CG 4.09Å; L38-Q147 HydrophobicContact CD2-CG 4.09Å; I143-Q147 WeakPolarHBondContact O-CG 3.5Å; I143-Q147 PolarHBondContact O-N 3.18Å; T144-Q147 PolarHBondContact O-N 3.39Å; F145-Q147 VanDerWaalsContact C-N 3.35Å; F145-Q147 PolarHBondContact O-N 2.95Å; Q147-I149 PolarHBondContact O-N 3.39Å; Q147-I150 PolarHBondContact O-N 2.83Å; Q147-S151 PolarHBondContact O-N 3.32Å; Q147-S151 PolarHBondContact O-OG 2.92Å; Q147-S151 VanDerWaalsContact O-OG 3.09Å
148S97.3Very high95.2Very high71 Ų7150.9 Ų50.950%0.49729%0.287SS..Hα-helixtrans-61-43.2179.1-174.80000112T144 F145 C146 T152T144-S148 WeakPolarHBondContact O-CB 3.26Å; T144-S148 PolarHBondContact O-N 2.84Å; F145-S148 PolarHBondContact O-N 2.82Å; C146-S148 VanDerWaalsContact C-N 3.34Å; C146-S148 PolarHBondContact O-N 3.13Å; S148-T152 WeakPolarHBondContact O-CG2 3.36Å; S148-T152 PolarHBondContact O-N 2.81Å
149I96.2Very high95.1Very high16 Ų1654.1 Ų54.18%0.08231%0.305CS..Hα-helixtrans-68-46.2178.2-57.3-62.7000110.2L34 T71 L73 F145 C146 Q147 S151 T152 L153L34-I149 HydrophobicContact CD1-CB 3.97Å; L34-I149 HydrophobicContact CD1-CG2 3.43Å; L34-I149 VanDerWaalsContact CD1-CG2 3.43Å; L34-I149 HydrophobicContact CD2-CB 4.49Å; T71-I149 WeakPolarHBondContact O-CD1 2.91Å; L73-I149 HydrophobicContact CD2-CG2 4.14Å; F145-I149 HydrophobicContact CD1-CG1 4.49Å; F145-I149 HydrophobicContact CD2-CG1 4.43Å; F145-I149 HydrophobicContact CE1-CG1 4.05Å; F145-I149 HydrophobicContact CE2-CD1 4.14Å; F145-I149 HydrophobicContact CE2-CG1 4.02Å; F145-I149 HydrophobicContact CZ-CD1 4.23Å; F145-I149 HydrophobicContact CZ-CG1 3.82Å; F145-I149 WeakPolarHBondContact O-CG1 3.18Å; F145-I149 PolarHBondContact O-N 3.24Å; C146-I149 PolarHBondContact O-N 3.11Å; Q147-I149 PolarHBondContact O-N 3.39Å; I149-S151 VanDerWaalsContact C-N 3.27Å; I149-S151 PolarHBondContact O-N 2.87Å; I149-T152 PolarHBondContact O-N 3.36Å; I149-T152 PolarHBondContact O-OG1 2.61Å; I149-L153 HydrophobicContact CG2-CD1 4.22Å; I149-L153 HydrophobicContact CG2-CG 4.46Å; I149-L153 WeakPolarHBondContact O-CG 3.45Å; I149-L153 PolarHBondContact O-N 3.43Å
150I95.8Very high95Very high22 Ų2257.7 Ų57.711%0.11333%0.325CS..Hα-helixtrans-55.4-43.4178.3-68.7163.6000111.1L34 E35 L38 C146 Q147 T152 L153 T154L34-I150 HydrophobicContact CB-CD1 3.9Å; L34-I150 HydrophobicContact CB-CG1 3.64Å; L34-I150 HydrophobicContact CD1-CG1 4.19Å; E35-I150 HydrophobicContact CG-CD1 4.04Å; L38-I150 HydrophobicContact CD2-CD1 4.1Å; C146-I150 WeakPolarHBondContact O-CD1 3.34Å; C146-I150 VanDerWaalsContact O-CG1 3.23Å; C146-I150 WeakPolarHBondContact O-CG1 3.06Å; C146-I150 PolarHBondContact O-N 3.13Å; Q147-I150 PolarHBondContact O-N 2.83Å; I150-T152 PolarHBondContact O-N 3.09Å; I150-L153 PolarHBondContact O-N 2.76Å; I150-T154 PolarHBondContact O-N 3.09Å; I150-T154 PolarHBondContact O-OG1 3.1Å; I150-T154 VanDerWaalsContact O-OG1 3.12Å
151S94.6Very high94.8Very high86 Ų8657.1 Ų57.160%0.60132%0.323SS*.Hα-helixtrans-62.9-21177-62.90000114.1Q147 I149Q147-S151 PolarHBondContact O-N 3.32Å; Q147-S151 PolarHBondContact O-OG 2.92Å; Q147-S151 VanDerWaalsContact O-OG 3.09Å; I149-S151 VanDerWaalsContact C-N 3.27Å; I149-S151 PolarHBondContact O-N 2.87Å
152T92.4Very high94.6Very high104 Ų10452.5 Ų52.564%0.63832%0.315SS*.Hα-helixtrans-87.8-15.1174.164.70000113.7S148 I149 I150S148-T152 WeakPolarHBondContact O-CG2 3.36Å; S148-T152 PolarHBondContact O-N 2.81Å; I149-T152 PolarHBondContact O-N 3.36Å; I149-T152 PolarHBondContact O-OG1 2.61Å; I150-T152 PolarHBondContact O-N 3.09Å
153L88.3Confident94.2Very high51 Ų5156.8 Ų56.827%0.26734%0.341SS..Hα-helixtrans-94.3-16.7179.8-59.5176.1000113T27 T30 Q31 L34 I149 I150T27-L153 HydrophobicContact CG2-CB 4.25Å; T27-L153 HydrophobicContact CG2-CD2 4.14Å; T30-L153 HydrophobicContact CG2-CD1 3.96Å; Q31-L153 HydrophobicContact CB-CD1 4.25Å; L34-L153 HydrophobicContact CD1-CD1 3.72Å; I149-L153 HydrophobicContact CG2-CD1 4.22Å; I149-L153 HydrophobicContact CG2-CG 4.46Å; I149-L153 WeakPolarHBondContact O-CG 3.45Å; I149-L153 PolarHBondContact O-N 3.43Å; I150-L153 PolarHBondContact O-N 2.76Å
154T75.3Confident93.9Very high148 Ų14861.1 Ų61.191%0.90837%0.367SS*.  trans-92.40178.8-49.60000110.6I150I150-T154 PolarHBondContact O-N 3.09Å; I150-T154 PolarHBondContact O-OG1 3.1Å; I150-T154 VanDerWaalsContact O-OG1 3.12Å

Retrieved 154 of 154 residues in 33.8 ms (Link to these results)