A0A096MYZ7_PAPAN Loading...

5-azacytidine-induced protein 2

Adapter protein which binds TBK1 and IKBKE playing a role in antiviral innate immunity. Activates serine/threonine-protein kinase TBK1 and facilitates its oligomerization. Enhances the phosphorylation of NF-kappa-B p65 subunit RELA by TBK1. Promotes TBK1-induced as well as TNF-alpha or PMA-induced activation of NF-kappa-B. Participates in IFNB promoter activation via TICAM1.

AlphaFold DB , UniProt , Accession A0A096MYZ7, Species PAPAN (Papio anubis, Olive baboon), Gene AZI2, Length 394 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
1M39.6Very low56.1Low239 Ų239142.8 Ų142.8100%1.17779%0.787SS**  0101.60-73.8-173.8-168.800104.8
2D42.6Very low56.8Low163 Ų163143.5 Ų143.587%0.87279%0.788SS**  trans-105.5123177.3-61-70.1000106.9L4D2-L4 PolarHBondContact O-N 3.12Å
3A45.5Very low56.9Low93 Ų93143.6 Ų143.677%0.76979%0.787SS**  trans-79.8112.1-175.100000109.3V5A3-V5 PolarHBondContact O-N 2.91Å
4L53.4Low56.8Low142 Ų142144.4 Ų144.474%0.74378%0.782SS**  trans-60.7120.6153.7-87.8161.2000107.4D2D2-L4 PolarHBondContact O-N 3.12Å
5V54.7Low56.5Low124 Ų124146.7 Ų146.775%0.75279%0.785SS**  trans-96.788.2167.7178.60000105.5A3 D7A3-V5 PolarHBondContact O-N 2.91Å; V5-D7 PolarHBondContact O-N 2.84Å
6E53.2Low56.4Low128 Ų128149.9 Ų149.960%0.59879%0.79SS**  trans-60.4113.8165.9-9169.4-127.300109D8E6-D8 PolarHBondContact O-N 3.39Å; E6-D8 VanDerWaalsContact O-N 3.08Å
7D58.1Low56.2Low142 Ų142145.8 Ų145.876%0.75978%0.782SS**  trans-84.877.9-176-158.826.5000109.7V5 I9V5-D7 PolarHBondContact O-N 2.84Å; D7-I9 PolarHBondContact O-N 2.62Å
8D71.9Confident55.9Low141 Ų141148.1 Ų148.175%0.75479%0.787SS**  trans-66.389.7-171-95.6-23000113.4E6 C10E6-D8 PolarHBondContact O-N 3.39Å; E6-D8 VanDerWaalsContact O-N 3.08Å; D8-C10 PolarHBondContact O-N 2.9Å
9I64.3Low55.5Low144 Ų144151.2 Ų151.274%0.73879%0.793SS**  trans-67.693.6176.4-54.2-179.7000110.6D7 I11D7-I9 PolarHBondContact O-N 2.62Å; I9-I11 PolarHBondContact O-N 3.28Å
10C69.2Low55.2Low118 Ų118155.1 Ų155.180%0.79780%0.797SS**  trans-67.396.9177.1-69.40000112D8 L12D8-C10 PolarHBondContact O-N 2.9Å; C10-L12 PolarHBondContact O-N 3.25Å; C10-L12 VanDerWaalsContact O-N 3.12Å
11I64.8Low54.7Low137 Ų137154.7 Ų154.770%0.70380%0.796SS**  trans-68108.3177.7-57.7179.1000110.3I9 N13I9-I11 PolarHBondContact O-N 3.28Å; I11-N13 PolarHBondContact O-N 3.29Å; I11-N13 VanDerWaalsContact O-N 3.15Å
12L64.9Low55.1Low151 Ų151149.4 Ų149.479%0.79178%0.777SS**  trans-76.2100.5-177.8-168.677.4000111.9C10 H14C10-L12 PolarHBondContact O-N 3.25Å; C10-L12 VanDerWaalsContact O-N 3.12Å; L12-H14 PolarHBondContact O-CE1 3.48Å; L12-H14 PolarHBondContact O-N 3.33Å; L12-H14 PolarHBondContact O-ND1 2.85Å
13N57.7Low55.3Low145 Ų145147.5 Ų147.578%0.77577%0.771SS**  trans-53.6120.4179.6-76-52.8000113.2I11 E15I11-N13 PolarHBondContact O-N 3.29Å; I11-N13 VanDerWaalsContact O-N 3.15Å; N13-E15 VanDerWaalsContact C-N 3.29Å; N13-E15 PolarHBondContact O-N 2.83Å
14H54.9Low55.2Low154 Ų154147.3 Ų147.371%0.71376%0.761SS**G310 helixtrans-81.9-2.8-168.2-21.7-45.1000114.2L12 K16 A17L12-H14 PolarHBondContact O-CE1 3.48Å; L12-H14 PolarHBondContact O-N 3.33Å; L12-H14 PolarHBondContact O-ND1 2.85Å; H14-K16 PolarHBondContact O-N 3.34Å; H14-A17 WeakPolarHBondContact O-CB 3.29Å; H14-A17 PolarHBondContact O-N 3.49Å
15E52.3Low55Low179 Ų179145.9 Ų145.984%0.83676%0.76SS**G310 helixtrans-55.6-23.3-164.3-169.1178.5-151.500115.1N13N13-E15 VanDerWaalsContact C-N 3.29Å; N13-E15 PolarHBondContact O-N 2.83Å
16K55.8Low54.6Low199 Ų199145.5 Ų145.587%0.86576%0.758SS**G310 helixtrans-101.55.5-177.8-62.2179.4-176.5174.10114.1H14H14-K16 PolarHBondContact O-N 3.34Å
17A52.5Low54.3Low79 Ų79141.5 Ų141.565%0.65374%0.744SS**SBendtrans-93.17.6-172.400000115.8H14H14-A17 WeakPolarHBondContact O-CB 3.29Å; H14-A17 PolarHBondContact O-N 3.49Å
18H50.4Low53.9Low187 Ų187142.7 Ų142.787%0.86675%0.748SS**  trans-130.157.8-178.7-123.434.8000114.9
19K48.7Very low53.1Low208 Ų208144.4 Ų144.490%0.90475%0.745SS**  trans-133.570.3155.1-70.6-167.2178.5-175.60110.7
20R50.3Low52.7Low229 Ų229142.5 Ų142.586%0.86475%0.745SS**SBendtrans-121.9137150.5-82.9-171.1-72.3172.1-3.6106.5T22R20-T22 PolarHBondContact O-N 3.14Å
21D43.4Very low52.1Low147 Ų147139.2 Ų139.279%0.78673%0.731SS**  trans-61.4133.3-159.2-58.4-87.1000112.6V23D21-V23 HydrophobicContact CB-CG2 3.91Å; D21-V23 PolarHBondContact O-N 2.9Å
22T48.8Very low51.8Low128 Ų128137.9 Ų137.979%0.78573%0.725SS**  trans-71.565.9160-41.40000108.4R20 T24R20-T22 PolarHBondContact O-N 3.14Å; T22-T24 PolarHBondContact O-N 3.33Å
23V46Very low51.6Low122 Ų122136.3 Ų136.374%0.73971%0.714SS**  trans-67.779.4155.8-177.50000105.3D21 P25D21-V23 HydrophobicContact CB-CG2 3.91Å; D21-V23 PolarHBondContact O-N 2.9Å; V23-P25 WeakPolarHBondContact O-CD 3.37Å; V23-P25 VanDerWaalsContact O-N 3.08Å
24T43.9Very low52Low90 Ų90133.1 Ų133.155%0.55270%0.703SS**  trans-52.9113.5163.4-58.10000105.9T22 V26T22-T24 PolarHBondContact O-N 3.33Å; T24-V26 VanDerWaalsContact C-N 3.31Å; T24-V26 PolarHBondContact O-N 3.46Å
25P49.7Very low53Low112 Ų112130.1 Ų130.173%0.72770%0.696SS**  trans-63.3106.9161.628.4-29.8000104.6V23 S27V23-P25 WeakPolarHBondContact O-CD 3.37Å; V23-P25 VanDerWaalsContact O-N 3.08Å; P25-S27 VanDerWaalsContact C-N 3.26Å; P25-S27 PolarHBondContact O-N 3.08Å
26V45.4Very low54.1Low116 Ų116124.5 Ų124.570%0.70368%0.68SS**  trans-63.599.3171.81750000105.1T24 I28T24-V26 VanDerWaalsContact C-N 3.31Å; T24-V26 PolarHBondContact O-N 3.46Å; V26-I28 PolarHBondContact O-N 3.37Å
27S47.3Very low55.4Low44 Ų44118.9 Ų118.931%0.30867%0.666SS.*  trans-66.5104.6179.21790000108.1P25 Y29 S30 E33P25-S27 VanDerWaalsContact C-N 3.26Å; P25-S27 PolarHBondContact O-N 3.08Å; S27-Y29 PolarHBondContact O-N 3.15Å; S27-Y29 VanDerWaalsContact O-N 3.09Å; S27-Y29 PolarHBondContact OG-N 2.94Å; S27-S30 PolarHBondContact O-N 2.8Å; S27-E33 WeakPolarHBondContact CB-OE2 3.47Å; S27-E33 PolarHBondContact OG-OE2 3.43Å
28I50.2Low57.2Low166 Ų166120.9 Ų120.985%0.85166%0.661SS**THydrogen-bonded Turntrans-72.68.4171.6-66163.6000109.9V26V26-I28 PolarHBondContact O-N 3.37Å
29Y54.6Low59.2Low177 Ų177118.9 Ų118.969%0.69465%0.65SS**THydrogen-bonded Turntrans-125.342.5172-140.6-103000112.7S27 G31 D32S27-Y29 PolarHBondContact O-N 3.15Å; S27-Y29 VanDerWaalsContact O-N 3.09Å; S27-Y29 PolarHBondContact OG-N 2.94Å; Y29-G31 PolarHBondContact O-N 3.46Å; Y29-D32 HydrophobicContact CD1-CB 4.4Å; Y29-D32 HydrophobicContact CE1-CB 4.41Å
30S55.7Low61.4Low104 Ų104111.8 Ų111.873%0.72763%0.63SS**THydrogen-bonded Turntrans-6434.6-178.4-175.10000116.2S27S27-S30 PolarHBondContact O-N 2.8Å
31G57.3Low63.5Low50 Ų50106.6 Ų106.652%0.51562%0.619SS.*THydrogen-bonded Turntrans-109.5-55.8169.400000112.5Y29Y29-G31 PolarHBondContact O-N 3.46Å
32D57Low66Low108 Ų108102.7 Ų102.758%0.57860%0.6SS**Hα-helixtrans-89.4-41.5-164.8-154.913.1000113.1Y29 S34 V35 A36Y29-D32 HydrophobicContact CD1-CB 4.4Å; Y29-D32 HydrophobicContact CE1-CB 4.41Å; D32-S34 PolarHBondContact O-N 3.49Å; D32-V35 PolarHBondContact O-N 3.03Å; D32-A36 PolarHBondContact O-N 3.23Å
33E61.4Low68.2Low119 Ų119100 Ų10056%0.55658%0.584SS**Hα-helixtrans-61.4-30.1178-65.3-179131.300112.7S27 S37S27-E33 WeakPolarHBondContact CB-OE2 3.47Å; S27-E33 PolarHBondContact OG-OE2 3.43Å; E33-S37 WeakPolarHBondContact O-CB 3.31Å; E33-S37 PolarHBondContact O-N 2.94Å
34S66.5Low70.6Confident78 Ų7896.3 Ų96.355%0.54557%0.566SS.*Hα-helixtrans-65.5-41.4173.5-170.60000111.6D32 H38D32-S34 PolarHBondContact O-N 3.49Å; S34-H38 VanDerWaalsContact O-CB 3.24Å; S34-H38 WeakPolarHBondContact O-CB 3.5Å; S34-H38 PolarHBondContact O-N 3.24Å
35V74.8Confident73.2Confident91 Ų9198.8 Ų98.855%0.55257%0.566SS**Hα-helixtrans-71.2-43.1177.4178.40000110.9D32 H38 F39D32-V35 PolarHBondContact O-N 3.03Å; V35-H38 PolarHBondContact O-N 3.11Å; V35-F39 WeakPolarHBondContact O-CB 3.32Å; V35-F39 PolarHBondContact O-N 3.47Å
36A76.9Confident75.5Confident61 Ų6197.7 Ų97.750%0.50455%0.551SS.*Hα-helixtrans-62.1-44.4175.900000112.3D32 F39 A40D32-A36 PolarHBondContact O-N 3.23Å; A36-F39 PolarHBondContact O-N 3.17Å; A36-A40 WeakPolarHBondContact O-CB 3.47Å; A36-A40 PolarHBondContact O-N 3.01Å
37S83.3Confident78Confident81 Ų8195.4 Ų95.457%0.56654%0.535SS*.Hα-helixtrans-65.1-42.3176-174.70000112E33 A40 L41E33-S37 WeakPolarHBondContact O-CB 3.31Å; E33-S37 PolarHBondContact O-N 2.94Å; S37-A40 PolarHBondContact O-N 2.83Å; S37-L41 WeakPolarHBondContact O-CB 3.3Å; S37-L41 PolarHBondContact O-N 3.44Å
38H90Very high80.4Confident121 Ų12198 Ų9856%0.5654%0.544SS*.Hα-helixtrans-61.7-45.5173.9-179.570.5000112.1S34 V35 A40 L41 V42S34-H38 VanDerWaalsContact O-CB 3.24Å; S34-H38 WeakPolarHBondContact O-CB 3.5Å; S34-H38 PolarHBondContact O-N 3.24Å; V35-H38 PolarHBondContact O-N 3.11Å; H38-A40 VanDerWaalsContact C-N 3.35Å; H38-A40 PolarHBondContact O-N 3.4Å; H38-L41 PolarHBondContact O-N 2.99Å; H38-V42 WeakPolarHBondContact O-CG2 3.49Å; H38-V42 PolarHBondContact O-N 3.17Å
39F92.8Very high82.6Confident145 Ų14594.6 Ų94.664%0.63652%0.524SS*.Hα-helixtrans-61.7-41.2176.7179-98.6000112.2V35 A36 V42 T43V35-F39 WeakPolarHBondContact O-CB 3.32Å; V35-F39 PolarHBondContact O-N 3.47Å; A36-F39 PolarHBondContact O-N 3.17Å; F39-V42 PolarHBondContact O-N 3.26Å; F39-T43 WeakPolarHBondContact O-CB 3.1Å; F39-T43 PolarHBondContact O-N 3.36Å; F39-T43 PolarHBondContact O-OG1 2.89Å
40A93.5Very high84.7Confident58 Ų5892.6 Ų92.648%0.47952%0.518SS..Hα-helixtrans-62.5-43.5174.400000112A36 S37 H38 T43 A44A36-A40 WeakPolarHBondContact O-CB 3.47Å; A36-A40 PolarHBondContact O-N 3.01Å; S37-A40 PolarHBondContact O-N 2.83Å; H38-A40 VanDerWaalsContact C-N 3.35Å; H38-A40 PolarHBondContact O-N 3.4Å; A40-T43 PolarHBondContact O-N 2.92Å; A40-A44 WeakPolarHBondContact O-CB 3.44Å; A40-A44 PolarHBondContact O-N 3.31Å
41L94.8Very high86.7Confident120 Ų12094.5 Ų94.563%0.62851%0.51SS*.Hα-helixtrans-64.8-43.6177.2-178.761.6000112.4S37 H38 A44 Y45S37-L41 WeakPolarHBondContact O-CB 3.3Å; S37-L41 PolarHBondContact O-N 3.44Å; H38-L41 PolarHBondContact O-N 2.99Å; L41-A44 PolarHBondContact O-N 3.34Å; L41-Y45 VanDerWaalsContact O-CB 3.32Å; L41-Y45 WeakPolarHBondContact O-CB 3.38Å; L41-Y45 PolarHBondContact O-N 2.84Å
42V95.8Very high88.7Confident65 Ų6597 Ų9739%0.39451%0.511SS..Hα-helixtrans-62.9-43.2175.8170.40000111H38 F39 Y45 E46H38-V42 WeakPolarHBondContact O-CG2 3.49Å; H38-V42 PolarHBondContact O-N 3.17Å; F39-V42 PolarHBondContact O-N 3.26Å; V42-Y45 PolarHBondContact O-N 3.36Å; V42-E46 PolarHBondContact O-N 3.41Å
43T95.9Very high90.6Very high72 Ų7298 Ų9844%0.44251%0.51SS..Hα-helixtrans-62.9-45.9176.8-57.40000111.4F39 A40 Y45 E46 D47F39-T43 WeakPolarHBondContact O-CB 3.1Å; F39-T43 PolarHBondContact O-N 3.36Å; F39-T43 PolarHBondContact O-OG1 2.89Å; A40-T43 PolarHBondContact O-N 2.92Å; T43-Y45 PolarHBondContact O-N 2.75Å; T43-E46 PolarHBondContact O-N 3.14Å; T43-D47 PolarHBondContact O-N 3.33Å
44A96.8Very high92.3Very high44 Ų4495.4 Ų95.436%0.36450%0.5SS..Hα-helixtrans-64.4-38.4176.400000112.3A40 L41 D47 I48A40-A44 WeakPolarHBondContact O-CB 3.44Å; A40-A44 PolarHBondContact O-N 3.31Å; L41-A44 PolarHBondContact O-N 3.34Å; A44-D47 PolarHBondContact O-N 3.35Å; A44-I48 WeakPolarHBondContact O-CB 3.41Å; A44-I48 WeakPolarHBondContact O-CD1 3.25Å; A44-I48 WeakPolarHBondContact O-CG1 3.27Å; A44-I48 PolarHBondContact O-N 2.96Å
45Y97.4Very high93.8Very high143 Ų14394.8 Ų94.856%0.56150%0.495SS*.Hα-helixtrans-63.2-48.1176.5177.6-98.4000112.1L41 V42 T43 D47 I48 K49L41-Y45 VanDerWaalsContact O-CB 3.32Å; L41-Y45 WeakPolarHBondContact O-CB 3.38Å; L41-Y45 PolarHBondContact O-N 2.84Å; V42-Y45 PolarHBondContact O-N 3.36Å; T43-Y45 PolarHBondContact O-N 2.75Å; Y45-D47 PolarHBondContact O-N 2.85Å; Y45-I48 PolarHBondContact O-N 3.05Å; Y45-K49 HydrophobicContact CD1-CD 4.39Å; Y45-K49 HydrophobicContact CE1-CD 3.8Å; Y45-K49 WeakPolarHBondContact O-CB 3.46Å; Y45-K49 PolarHBondContact O-N 3.4Å
46E97.8Very high94.9Very high88 Ų8895.9 Ų95.941%0.41150%0.495SS..Hα-helixtrans-67.2-34178.2-70.9-60.913500112.6V42 T43 K49 K50V42-E46 PolarHBondContact O-N 3.41Å; T43-E46 PolarHBondContact O-N 3.14Å; E46-K49 WeakPolarHBondContact OE1-CD 3.48Å; E46-K49 IonicContact OE1-NZ 2.72Å; E46-K49 PolarHBondContact OE1-NZ 3.47Å; E46-K49 IonicContact OE2-NZ 2.65Å; E46-K49 PolarHBondContact OE2-NZ 3.47Å; E46-K50 VanDerWaalsContact O-CB 3.29Å; E46-K50 WeakPolarHBondContact O-CB 3.3Å; E46-K50 PolarHBondContact O-N 3.28Å
47D98.1Very high95.9Very high68 Ų6898.1 Ų98.136%0.36449%0.493SS..Hα-helixtrans-66-47.3171.1172.268.4000112.6T43 A44 Y45 K49 K50 R51T43-D47 PolarHBondContact O-N 3.33Å; A44-D47 PolarHBondContact O-N 3.35Å; Y45-D47 PolarHBondContact O-N 2.85Å; D47-K49 VanDerWaalsContact C-N 3.33Å; D47-K49 PolarHBondContact O-N 3.09Å; D47-K50 WeakPolarHBondContact O-CB 3.32Å; D47-K50 PolarHBondContact O-N 2.88Å; D47-R51 PolarHBondContact O-N 2.71Å; D47-R51 IonicContact OD1-NE 3.18Å; D47-R51 IonicContact OD2-CZ 3.95Å; D47-R51 IonicContact OD2-NE 2.77Å; D47-R51 PolarHBondContact OD2-NE 3.39Å; D47-R51 IonicContact OD2-NH2 2.7Å; D47-R51 PolarHBondContact OD2-NH2 2.91Å
48I97.8Very high96.5Very high98 Ų9899.9 Ų99.950%0.50349%0.492SS..Hα-helixtrans-59.9-45.3176.5-71.8164.8000110.4A44 Y45 K50 R51 L52A44-I48 WeakPolarHBondContact O-CB 3.41Å; A44-I48 WeakPolarHBondContact O-CD1 3.25Å; A44-I48 WeakPolarHBondContact O-CG1 3.27Å; A44-I48 PolarHBondContact O-N 2.96Å; Y45-I48 PolarHBondContact O-N 3.05Å; I48-K50 VanDerWaalsContact C-N 3.34Å; I48-K50 PolarHBondContact O-N 3.35Å; I48-R51 PolarHBondContact O-N 3.14Å; I48-L52 VanDerWaalsContact O-CB 3.29Å; I48-L52 WeakPolarHBondContact O-CB 3.29Å; I48-L52 PolarHBondContact O-N 3.13Å
49K97.6Very high96.9Very high96 Ų9697.7 Ų97.742%0.41749%0.485SS..Hα-helixtrans-61.2-38.3176.2175.7-177.7167.7-150.50112.3Y45 E46 D47 K53Y45-K49 HydrophobicContact CD1-CD 4.39Å; Y45-K49 HydrophobicContact CE1-CD 3.8Å; Y45-K49 WeakPolarHBondContact O-CB 3.46Å; Y45-K49 PolarHBondContact O-N 3.4Å; E46-K49 WeakPolarHBondContact OE1-CD 3.48Å; E46-K49 IonicContact OE1-NZ 2.72Å; E46-K49 PolarHBondContact OE1-NZ 3.47Å; E46-K49 IonicContact OE2-NZ 2.65Å; E46-K49 PolarHBondContact OE2-NZ 3.47Å; D47-K49 VanDerWaalsContact C-N 3.33Å; D47-K49 PolarHBondContact O-N 3.09Å; K49-K53 WeakPolarHBondContact O-CB 3.41Å; K49-K53 PolarHBondContact O-N 2.91Å; K49-K53 VanDerWaalsContact O-N 3.13Å
50K98Very high97.1Very high134 Ų13493.4 Ų93.458%0.58347%0.473SS*.Hα-helixtrans-66.7-52.3172.3180-173.7171.8-166.90111.3E46 D47 I48 L52 K53 D54E46-K50 VanDerWaalsContact O-CB 3.29Å; E46-K50 WeakPolarHBondContact O-CB 3.3Å; E46-K50 PolarHBondContact O-N 3.28Å; D47-K50 WeakPolarHBondContact O-CB 3.32Å; D47-K50 PolarHBondContact O-N 2.88Å; I48-K50 VanDerWaalsContact C-N 3.34Å; I48-K50 PolarHBondContact O-N 3.35Å; K50-L52 VanDerWaalsContact C-N 3.31Å; K50-L52 PolarHBondContact O-N 3.39Å; K50-K53 PolarHBondContact O-N 3.1Å; K50-K53 VanDerWaalsContact O-N 3.13Å; K50-D54 PolarHBondContact O-N 2.68Å
51R98.1Very high97.3Very high144 Ų14496.1 Ų96.154%0.54348%0.478SS..Hα-helixtrans-59.4-39.7179.5-76.2-170.1-76.7130.6-5.2112.3D47 I48 D54 S55D47-R51 PolarHBondContact O-N 2.71Å; D47-R51 IonicContact OD1-NE 3.18Å; D47-R51 IonicContact OD2-CZ 3.95Å; D47-R51 IonicContact OD2-NE 2.77Å; D47-R51 PolarHBondContact OD2-NE 3.39Å; D47-R51 IonicContact OD2-NH2 2.7Å; D47-R51 PolarHBondContact OD2-NH2 2.91Å; I48-R51 PolarHBondContact O-N 3.14Å; R51-D54 PolarHBondContact O-N 3.34Å; R51-S55 VanDerWaalsContact O-CB 3.27Å; R51-S55 WeakPolarHBondContact O-CB 3.36Å; R51-S55 PolarHBondContact O-N 2.86Å
52L98Very high97.5Very high103 Ų10394.6 Ų94.654%0.53947%0.47SS..Hα-helixtrans-59.8-52.6172.5-179.362.8000110.9I48 K50 D54 S55 E56I48-L52 VanDerWaalsContact O-CB 3.29Å; I48-L52 WeakPolarHBondContact O-CB 3.29Å; I48-L52 PolarHBondContact O-N 3.13Å; K50-L52 VanDerWaalsContact C-N 3.31Å; K50-L52 PolarHBondContact O-N 3.39Å; L52-D54 VanDerWaalsContact C-N 3.27Å; L52-D54 PolarHBondContact O-N 3.02Å; L52-S55 WeakPolarHBondContact O-CB 3.44Å; L52-S55 PolarHBondContact O-N 3.28Å; L52-E56 WeakPolarHBondContact O-CG 3.47Å; L52-E56 PolarHBondContact O-N 3Å
53K97.6Very high97.6Very high129 Ų12997.3 Ų97.356%0.56148%0.477SS*.Hα-helixtrans-63.3-28.7179.6-174.3172.5-176.8174.90113.8K49 K50 K57K49-K53 WeakPolarHBondContact O-CB 3.41Å; K49-K53 PolarHBondContact O-N 2.91Å; K49-K53 VanDerWaalsContact O-N 3.13Å; K50-K53 PolarHBondContact O-N 3.1Å; K50-K53 VanDerWaalsContact O-N 3.13Å; K53-K57 WeakPolarHBondContact O-CE 3.39Å; K53-K57 WeakPolarHBondContact O-CG 3.41Å
54D97.4Very high97.7Very high64 Ų6499.7 Ų99.734%0.34248%0.481SS..Hα-helixtrans-78.6-40.3174.4-70.6-28.3000111.2K50 R51 L52 E56 K57 E58K50-D54 PolarHBondContact O-N 2.68Å; R51-D54 PolarHBondContact O-N 3.34Å; L52-D54 VanDerWaalsContact C-N 3.27Å; L52-D54 PolarHBondContact O-N 3.02Å; D54-E56 PolarHBondContact O-N 3.37Å; D54-K57 WeakPolarHBondContact O-CB 3.43Å; D54-K57 PolarHBondContact O-N 3Å; D54-K57 IonicContact OD1-NZ 3.82Å; D54-K57 PolarHBondContact OD1-NZ 3.02Å; D54-E58 PolarHBondContact O-N 3.22Å; D54-E58 VanDerWaalsContact O-N 3.08Å
55S97.4Very high97.7Very high65 Ų65104 Ų10446%0.45549%0.488SS..Hα-helixtrans-61.4-38.5171.9-171.90000112.8R51 L52 K57 E58 N59R51-S55 VanDerWaalsContact O-CB 3.27Å; R51-S55 WeakPolarHBondContact O-CB 3.36Å; R51-S55 PolarHBondContact O-N 2.86Å; L52-S55 WeakPolarHBondContact O-CB 3.44Å; L52-S55 PolarHBondContact O-N 3.28Å; S55-K57 VanDerWaalsContact C-N 3.33Å; S55-K57 PolarHBondContact O-N 3.45Å; S55-E58 PolarHBondContact O-N 2.94Å; S55-N59 VanDerWaalsContact O-CB 3.28Å; S55-N59 WeakPolarHBondContact O-CB 3.09Å; S55-N59 PolarHBondContact O-N 3.43Å
56E97.6Very high97.7Very high115 Ų115101.6 Ų101.654%0.53748%0.484SS..Hα-helixtrans-59.8-39.9173.4-75.2173.7160.400112.6L52 D54 S60L52-E56 WeakPolarHBondContact O-CG 3.47Å; L52-E56 PolarHBondContact O-N 3Å; D54-E56 PolarHBondContact O-N 3.37Å; E56-S60 WeakPolarHBondContact O-CB 3.27Å; E56-S60 PolarHBondContact O-N 3.4Å
57K97.3Very high97.7Very high107 Ų107104.1 Ų104.147%0.46549%0.49SS..Hα-helixtrans-67.6-44.6176.1-63.1163.2-162.6166.60111.2K53 D54 S55 S60 L61K53-K57 WeakPolarHBondContact O-CE 3.39Å; K53-K57 WeakPolarHBondContact O-CG 3.41Å; D54-K57 WeakPolarHBondContact O-CB 3.43Å; D54-K57 PolarHBondContact O-N 3Å; D54-K57 IonicContact OD1-NZ 3.82Å; D54-K57 PolarHBondContact OD1-NZ 3.02Å; S55-K57 VanDerWaalsContact C-N 3.33Å; S55-K57 PolarHBondContact O-N 3.45Å; K57-S60 WeakPolarHBondContact O-CB 3.47Å; K57-S60 PolarHBondContact O-N 3.42Å; K57-L61 PolarHBondContact O-N 2.97Å
58E97.6Very high97.6Very high118 Ų118105.7 Ų105.755%0.55149%0.493SS*.Hα-helixtrans-61.5-47.2177.2-174.9178.4-172.800110.8D54 S55 S60 L61 L62D54-E58 PolarHBondContact O-N 3.22Å; D54-E58 VanDerWaalsContact O-N 3.08Å; S55-E58 PolarHBondContact O-N 2.94Å; E58-S60 VanDerWaalsContact C-N 3.27Å; E58-S60 PolarHBondContact O-N 2.64Å; E58-L61 CarbonylContact O-C 3.59Å; E58-L61 WeakPolarHBondContact O-CA 3.32Å; E58-L61 WeakPolarHBondContact O-CB 3.41Å; E58-L61 PolarHBondContact O-N 3.45Å; E58-L62 HydrophobicContact CG-CD1 4.12Å; E58-L62 HydrophobicContact CG-CG 4.43Å; E58-L62 WeakPolarHBondContact O-CG 3.47Å; E58-L62 PolarHBondContact O-N 3.02Å
59N97Very high97.6Very high75 Ų75105 Ų10540%0.40149%0.49SS..Hα-helixtrans-59.8-37.2176.2-163.4-90000112.1S55 K63S55-N59 VanDerWaalsContact O-CB 3.28Å; S55-N59 WeakPolarHBondContact O-CB 3.09Å; S55-N59 PolarHBondContact O-N 3.43Å; N59-K63 WeakPolarHBondContact O-CB 3.44Å; N59-K63 WeakPolarHBondContact O-CG 3.44Å; N59-K63 PolarHBondContact O-N 3.49Å; N59-K63 WeakPolarHBondContact OD1-CD 3.46Å; N59-K63 WeakPolarHBondContact OD1-CE 3.49Å; N59-K63 PolarHBondContact OD1-NZ 2.86Å
60S97.8Very high97.5Very high55 Ų55105.2 Ų105.239%0.38549%0.493SS..Hα-helixtrans-66.9-39.1172.9-170.30000112.8E56 K57 E58 K64E56-S60 WeakPolarHBondContact O-CB 3.27Å; E56-S60 PolarHBondContact O-N 3.4Å; K57-S60 WeakPolarHBondContact O-CB 3.47Å; K57-S60 PolarHBondContact O-N 3.42Å; E58-S60 VanDerWaalsContact C-N 3.27Å; E58-S60 PolarHBondContact O-N 2.64Å; S60-K64 VanDerWaalsContact O-CG 3.31Å; S60-K64 WeakPolarHBondContact O-CG 3.26Å; S60-K64 PolarHBondContact O-N 2.96Å; S60-K64 VanDerWaalsContact O-N 3.08Å
61L97.8Very high97.3Very high115 Ų115104.6 Ų104.660%0.60249%0.492SS*.Hα-helixtrans-66.4-44.1173.2-78.5165.9000111.8K57 E58 K64 R65K57-L61 PolarHBondContact O-N 2.97Å; E58-L61 CarbonylContact O-C 3.59Å; E58-L61 WeakPolarHBondContact O-CA 3.32Å; E58-L61 WeakPolarHBondContact O-CB 3.41Å; E58-L61 PolarHBondContact O-N 3.45Å; L61-K64 WeakPolarHBondContact O-CB 3.39Å; L61-K64 PolarHBondContact O-N 3.32Å; L61-R65 WeakPolarHBondContact O-CB 3.36Å; L61-R65 PolarHBondContact O-N 2.87Å
62L98.1Very high97.1Very high88 Ų88102.9 Ų102.946%0.46149%0.489SS..Hα-helixtrans-61.7-45.2175.8-68.5171.8000111.2E58 K64 R65 I66E58-L62 HydrophobicContact CG-CD1 4.12Å; E58-L62 HydrophobicContact CG-CG 4.43Å; E58-L62 WeakPolarHBondContact O-CG 3.47Å; E58-L62 PolarHBondContact O-N 3.02Å; L62-K64 VanDerWaalsContact C-N 3.28Å; L62-K64 PolarHBondContact O-N 2.78Å; L62-R65 PolarHBondContact O-N 3.31Å; L62-I66 VanDerWaalsContact O-CG1 3.32Å; L62-I66 WeakPolarHBondContact O-CG1 3.45Å; L62-I66 PolarHBondContact O-N 2.82Å
63K97.8Very high96.8Very high122 Ų122103.9 Ų103.953%0.5349%0.494SS..Hα-helixtrans-62.6-27.7173.8-78.2167.7172159.80114.2N59 R67N59-K63 WeakPolarHBondContact O-CB 3.44Å; N59-K63 WeakPolarHBondContact O-CG 3.44Å; N59-K63 PolarHBondContact O-N 3.49Å; N59-K63 WeakPolarHBondContact OD1-CD 3.46Å; N59-K63 WeakPolarHBondContact OD1-CE 3.49Å; N59-K63 PolarHBondContact OD1-NZ 2.86Å; K63-R67 PolarHBondContact O-NE 3.24Å; K63-R67 VanDerWaalsContact O-NE 3.16Å
64K97.8Very high96.4Very high122 Ų122103.3 Ų103.353%0.5350%0.496SS..Hα-helixtrans-76-39.8169.9-72.3168.5-177.2179.10111.3S60 L61 L62 F68S60-K64 VanDerWaalsContact O-CG 3.31Å; S60-K64 WeakPolarHBondContact O-CG 3.26Å; S60-K64 PolarHBondContact O-N 2.96Å; S60-K64 VanDerWaalsContact O-N 3.08Å; L61-K64 WeakPolarHBondContact O-CB 3.39Å; L61-K64 PolarHBondContact O-N 3.32Å; L62-K64 VanDerWaalsContact C-N 3.28Å; L62-K64 PolarHBondContact O-N 2.78Å; K64-F68 WeakPolarHBondContact O-CB 3.49Å; K64-F68 PolarHBondContact O-N 3.09Å; K64-F68 VanDerWaalsContact O-N 3.12Å
65R97.9Very high95.8Very high136 Ų136103 Ų10351%0.51350%0.502SS..Hα-helixtrans-68.7-39.3179.9-177.754.2173.5-176-3.6112.8L61 L62 L69L61-R65 WeakPolarHBondContact O-CB 3.36Å; L61-R65 PolarHBondContact O-N 2.87Å; L62-R65 PolarHBondContact O-N 3.31Å; R65-L69 HydrophobicContact CG-CD1 4.13Å; R65-L69 VanDerWaalsContact O-CG 3.29Å; R65-L69 WeakPolarHBondContact O-CG 3.32Å; R65-L69 PolarHBondContact O-N 2.83Å; R65-L69 VanDerWaalsContact O-N 3.08Å
66I97.7Very high95.2Very high91 Ų91107.4 Ų107.447%0.46751%0.509SS..Hα-helixtrans-59.2-56.3175.4-71.4164.1000109.5L62 F68 L69 E70L62-I66 VanDerWaalsContact O-CG1 3.32Å; L62-I66 WeakPolarHBondContact O-CG1 3.45Å; L62-I66 PolarHBondContact O-N 2.82Å; I66-F68 VanDerWaalsContact C-N 3.35Å; I66-F68 PolarHBondContact O-N 3.26Å; I66-L69 CarbonylContact O-C 3.58Å; I66-L69 WeakPolarHBondContact O-CA 3.48Å; I66-L69 WeakPolarHBondContact O-CB 3.3Å; I66-L69 PolarHBondContact O-N 2.91Å; I66-E70 HydrophobicContact CG2-CG 4.27Å; I66-E70 WeakPolarHBondContact CG2-OE1 3.38Å; I66-E70 WeakPolarHBondContact O-CG 3.39Å; I66-E70 PolarHBondContact O-N 3.49Å
67R97.1Very high94.4Very high141 Ų141108.8 Ų108.853%0.53251%0.513SS..Hα-helixtrans-55.8-44.1178.1-71.9-175.9-67.5170.64.2113.8K63 L69 E70 E71K63-R67 PolarHBondContact O-NE 3.24Å; K63-R67 VanDerWaalsContact O-NE 3.16Å; R67-L69 VanDerWaalsContact C-N 3.26Å; R67-L69 PolarHBondContact O-N 3.46Å; R67-E70 VanDerWaalsContact CA-OE2 3.29Å; R67-E70 WeakPolarHBondContact CA-OE2 3.42Å; R67-E70 PolarHBondContact O-N 3.02Å; R67-E71 WeakPolarHBondContact O-CB 3.43Å; R67-E71 WeakPolarHBondContact O-CG 3.47Å; R67-E71 PolarHBondContact O-N 3.26Å
68F96.4Very high93.4Very high101 Ų101108.8 Ų108.844%0.44352%0.518SS..Hα-helixtrans-60.6-33.5174.5175.2-90.7000113.5K64 I66 K72K64-F68 WeakPolarHBondContact O-CB 3.49Å; K64-F68 PolarHBondContact O-N 3.09Å; K64-F68 VanDerWaalsContact O-N 3.12Å; I66-F68 VanDerWaalsContact C-N 3.35Å; I66-F68 PolarHBondContact O-N 3.26Å; F68-K72 HydrophobicContact CE1-CD 4.28Å; F68-K72 WeakPolarHBondContact O-CB 3.39Å; F68-K72 PolarHBondContact O-N 3.37Å; F68-K72 VanDerWaalsContact O-N 3.13Å
69L96.7Very high92.3Very high84 Ų84110 Ų11044%0.4452%0.524SS..Hα-helixtrans-77.9-36.1176.8-70.2171.6000111.9R65 I66 R67 K72 L73R65-L69 HydrophobicContact CG-CD1 4.13Å; R65-L69 VanDerWaalsContact O-CG 3.29Å; R65-L69 WeakPolarHBondContact O-CG 3.32Å; R65-L69 PolarHBondContact O-N 2.83Å; R65-L69 VanDerWaalsContact O-N 3.08Å; I66-L69 CarbonylContact O-C 3.58Å; I66-L69 WeakPolarHBondContact O-CA 3.48Å; I66-L69 WeakPolarHBondContact O-CB 3.3Å; I66-L69 PolarHBondContact O-N 2.91Å; R67-L69 VanDerWaalsContact C-N 3.26Å; R67-L69 PolarHBondContact O-N 3.46Å; L69-K72 PolarHBondContact O-N 3.04Å; L69-L73 WeakPolarHBondContact O-CB 3.47Å; L69-L73 PolarHBondContact O-N 3.24Å
70E95.6Very high91Very high101 Ų101112.6 Ų112.647%0.47253%0.534SS..Hα-helixtrans-63.1-52172.7-66.8165.6152.300110.8I66 R67 K72 L73 I74I66-E70 HydrophobicContact CG2-CG 4.27Å; I66-E70 WeakPolarHBondContact CG2-OE1 3.38Å; I66-E70 WeakPolarHBondContact O-CG 3.39Å; I66-E70 PolarHBondContact O-N 3.49Å; R67-E70 VanDerWaalsContact CA-OE2 3.29Å; R67-E70 WeakPolarHBondContact CA-OE2 3.42Å; R67-E70 PolarHBondContact O-N 3.02Å; E70-K72 VanDerWaalsContact C-N 3.3Å; E70-K72 PolarHBondContact O-N 3.11Å; E70-L73 PolarHBondContact O-N 3.08Å; E70-L73 VanDerWaalsContact O-N 3.11Å; E70-I74 WeakPolarHBondContact O-CG1 3.28Å; E70-I74 PolarHBondContact O-N 3.15Å
71E94Very high89.7Confident120 Ų120113.2 Ų113.256%0.56154%0.535SS*.Hα-helixtrans-53.8-45.5173.8-72161-168.300111.5R67 L73 I74 A75R67-E71 WeakPolarHBondContact O-CB 3.43Å; R67-E71 WeakPolarHBondContact O-CG 3.47Å; R67-E71 PolarHBondContact O-N 3.26Å; E71-L73 PolarHBondContact O-N 2.98Å; E71-I74 PolarHBondContact O-N 3.41Å; E71-A75 WeakPolarHBondContact O-CB 3.33Å; E71-A75 PolarHBondContact O-N 3.11Å
72K94.6Very high88.4Confident109 Ų109110.4 Ų110.447%0.47453%0.526SS..Hα-helixtrans-69.7-30178.9-175.7170.2-176.6173.10113.5F68 L69 E70 R76F68-K72 HydrophobicContact CE1-CD 4.28Å; F68-K72 WeakPolarHBondContact O-CB 3.39Å; F68-K72 PolarHBondContact O-N 3.37Å; F68-K72 VanDerWaalsContact O-N 3.13Å; L69-K72 PolarHBondContact O-N 3.04Å; E70-K72 VanDerWaalsContact C-N 3.3Å; E70-K72 PolarHBondContact O-N 3.11Å; K72-R76 PolarHBondContact O-N 3.49Å
73L91.9Very high87.4Confident123 Ų123109.1 Ų109.164%0.64452%0.524SS*.Hα-helixtrans-72.2-45.4175.4-178.462.7000110.6L69 E70 E71 R76 F77L69-L73 WeakPolarHBondContact O-CB 3.47Å; L69-L73 PolarHBondContact O-N 3.24Å; E70-L73 PolarHBondContact O-N 3.08Å; E70-L73 VanDerWaalsContact O-N 3.11Å; E71-L73 PolarHBondContact O-N 2.98Å; L73-R76 PolarHBondContact O-N 3.26Å; L73-F77 PolarHBondContact O-N 3.45Å; L73-F77 VanDerWaalsContact O-N 3.09Å
74I89.4Confident86.4Confident117 Ų117106.3 Ų106.360%0.652%0.517SS*.Hα-helixtrans-59.8-48176.4-66162.9000110.5E70 E71 R76 F77 D78E70-I74 WeakPolarHBondContact O-CG1 3.28Å; E70-I74 PolarHBondContact O-N 3.15Å; E71-I74 PolarHBondContact O-N 3.41Å; I74-R76 VanDerWaalsContact C-N 3.34Å; I74-R76 PolarHBondContact O-N 3.03Å; I74-F77 PolarHBondContact O-N 3.45Å; I74-F77 VanDerWaalsContact O-N 3.13Å; I74-D78 PolarHBondContact O-N 3.43Å
75A85.3Confident85.6Confident59 Ų59102.1 Ų102.149%0.48851%0.508SS..Hα-helixtrans-59.1-41179.800000113E71 E79E71-A75 WeakPolarHBondContact O-CB 3.33Å; E71-A75 PolarHBondContact O-N 3.11Å; A75-E79 WeakPolarHBondContact O-CB 3.41Å; A75-E79 PolarHBondContact O-N 3.05Å; A75-E79 VanDerWaalsContact O-N 3.14Å
76R83.8Confident85.1Confident157 Ų157104 Ų10459%0.59252%0.515SS*.Hα-helixtrans-62.7-45.9173.7-79.2-173.7171.4-75.18.7112.1K72 L73 I74 E79 E80K72-R76 PolarHBondContact O-N 3.49Å; L73-R76 PolarHBondContact O-N 3.26Å; I74-R76 VanDerWaalsContact C-N 3.34Å; I74-R76 PolarHBondContact O-N 3.03Å; R76-E79 PolarHBondContact O-N 3.42Å; R76-E80 VanDerWaalsContact O-CB 3.24Å; R76-E80 WeakPolarHBondContact O-CB 3.46Å; R76-E80 PolarHBondContact O-N 3.11Å
77F80.2Confident84.7Confident143 Ų143106 Ų10663%0.62752%0.523SS*.Hα-helixtrans-65.7-41-175.6-172.8-94.9000111.9L73 I74 T81L73-F77 PolarHBondContact O-N 3.45Å; L73-F77 VanDerWaalsContact O-N 3.09Å; I74-F77 PolarHBondContact O-N 3.45Å; I74-F77 VanDerWaalsContact O-N 3.13Å; F77-T81 HydrophobicContact CD1-CG2 4.23Å; F77-T81 HydrophobicContact CD2-CG2 4.28Å; F77-T81 HydrophobicContact CE1-CG2 3.93Å; F77-T81 HydrophobicContact CE2-CG2 3.99Å; F77-T81 HydrophobicContact CG-CG2 4.41Å; F77-T81 HydrophobicContact CZ-CG2 3.81Å; F77-T81 WeakPolarHBondContact O-CB 3.5Å; F77-T81 VanDerWaalsContact O-CG2 3.3Å; F77-T81 WeakPolarHBondContact O-CG2 3.48Å; F77-T81 PolarHBondContact O-N 2.81Å; F77-T81 PolarHBondContact O-OG1 3.46Å
78D76.4Confident84.5Confident107 Ų107105.4 Ų105.457%0.57253%0.526SS*.Hα-helixtrans-66.4-45.4176-169.842.7000111.7I74 S82I74-D78 PolarHBondContact O-N 3.43Å; D78-S82 WeakPolarHBondContact O-CB 3.25Å; D78-S82 PolarHBondContact O-N 3.06Å; D78-S82 PolarHBondContact O-OG 3.28Å
79E74.1Confident84.3Confident143 Ų143105.4 Ų105.467%0.66853%0.534SS*.Hα-helixtrans-63.6-43.4177.8-172.9169-136.200112.4A75 R76 S83A75-E79 WeakPolarHBondContact O-CB 3.41Å; A75-E79 PolarHBondContact O-N 3.05Å; A75-E79 VanDerWaalsContact O-N 3.14Å; R76-E79 PolarHBondContact O-N 3.42Å; E79-S83 VanDerWaalsContact O-CB 3.24Å; E79-S83 WeakPolarHBondContact O-CB 3.22Å; E79-S83 PolarHBondContact O-N 3.36Å; E79-S83 PolarHBondContact O-OG 2.9Å
80E71.5Confident84.3Confident131 Ų131105.3 Ų105.361%0.61253%0.534SS*.Hα-helixtrans-72.3-44.1-179.2-170.6163.3-15600112.3R76 S83 V84R76-E80 VanDerWaalsContact O-CB 3.24Å; R76-E80 WeakPolarHBondContact O-CB 3.46Å; R76-E80 PolarHBondContact O-N 3.11Å; E80-S83 PolarHBondContact O-OG 3.42Å; E80-V84 VanDerWaalsContact O-CB 3.31Å; E80-V84 WeakPolarHBondContact O-CB 3.4Å; E80-V84 VanDerWaalsContact O-CG2 3.24Å; E80-V84 WeakPolarHBondContact O-CG2 3.47Å; E80-V84 PolarHBondContact O-N 2.87Å; E80-V84 VanDerWaalsContact O-N 3.17Å
81T68.7Low84.4Confident67 Ų67107.9 Ų107.941%0.41154%0.544SS..Hα-helixtrans-73.8-39.5-179.958.10000113F77 G85F77-T81 HydrophobicContact CD1-CG2 4.23Å; F77-T81 HydrophobicContact CD2-CG2 4.28Å; F77-T81 HydrophobicContact CE1-CG2 3.93Å; F77-T81 HydrophobicContact CE2-CG2 3.99Å; F77-T81 HydrophobicContact CG-CG2 4.41Å; F77-T81 HydrophobicContact CZ-CG2 3.81Å; F77-T81 WeakPolarHBondContact O-CB 3.5Å; F77-T81 VanDerWaalsContact O-CG2 3.3Å; F77-T81 WeakPolarHBondContact O-CG2 3.48Å; F77-T81 PolarHBondContact O-N 2.81Å; F77-T81 PolarHBondContact O-OG1 3.46Å; T81-G85 PolarHBondContact O-N 3.08Å
82S71.3Confident84.5Confident57 Ų57105.1 Ų105.140%0.39954%0.541SS..Hα-helixtrans-71.9-32.4-179.469.30000113.2D78 R86D78-S82 WeakPolarHBondContact O-CB 3.25Å; D78-S82 PolarHBondContact O-N 3.06Å; D78-S82 PolarHBondContact O-OG 3.28Å; S82-R86 VanDerWaalsContact O-CB 3.24Å; S82-R86 WeakPolarHBondContact O-CB 3.17Å; S82-R86 PolarHBondContact O-N 3.04Å
83S76.4Confident84.7Confident61 Ų61106.8 Ų106.843%0.42755%0.546SS..Hα-helixtrans-74.5-53.5175.4590000111.8E79 E80 G85 R86 E87E79-S83 VanDerWaalsContact O-CB 3.24Å; E79-S83 WeakPolarHBondContact O-CB 3.22Å; E79-S83 PolarHBondContact O-N 3.36Å; E79-S83 PolarHBondContact O-OG 2.9Å; E80-S83 PolarHBondContact O-OG 3.42Å; S83-G85 PolarHBondContact O-N 2.96Å; S83-R86 PolarHBondContact O-N 3.44Å; S83-E87 PolarHBondContact O-N 3.3Å
84V77.6Confident85Confident63 Ų63106.4 Ų106.438%0.38254%0.54SS..Hα-helixtrans-62.5-42.1-178.5173.20000111.4E80 R86 E87 Q88E80-V84 VanDerWaalsContact O-CB 3.31Å; E80-V84 WeakPolarHBondContact O-CB 3.4Å; E80-V84 VanDerWaalsContact O-CG2 3.24Å; E80-V84 WeakPolarHBondContact O-CG2 3.47Å; E80-V84 PolarHBondContact O-N 2.87Å; E80-V84 VanDerWaalsContact O-N 3.17Å; V84-R86 PolarHBondContact O-N 2.89Å; V84-E87 PolarHBondContact O-N 3.22Å; V84-Q88 HydrophobicContact CG1-CG 4.5Å; V84-Q88 VanDerWaalsContact CG1-NE2 3.3Å; V84-Q88 WeakPolarHBondContact O-CB 3.39Å; V84-Q88 VanDerWaalsContact O-CG 3.3Å; V84-Q88 WeakPolarHBondContact O-CG 3.45Å; V84-Q88 PolarHBondContact O-N 3.08Å
85G82.1Confident85.4Confident34 Ų34103.6 Ų103.635%0.35153%0.534SS..Hα-helixtrans-61.6-42.1175.400000112.7T81 S83 V89T81-G85 PolarHBondContact O-N 3.08Å; S83-G85 PolarHBondContact O-N 2.96Å; G85-V89 WeakPolarHBondContact O-CG2 3.37Å; G85-V89 PolarHBondContact O-N 3.3Å; G85-V89 VanDerWaalsContact O-N 3.1Å
86R87.2Confident86Confident174 Ų174108 Ų10866%0.65754%0.539SS*.Hα-helixtrans-66.7-42.1177.1-174.9-178.4-61.5-168.41.4112.2S82 S83 V84 V89 N90S82-R86 VanDerWaalsContact O-CB 3.24Å; S82-R86 WeakPolarHBondContact O-CB 3.17Å; S82-R86 PolarHBondContact O-N 3.04Å; S83-R86 PolarHBondContact O-N 3.44Å; V84-R86 PolarHBondContact O-N 2.89Å; R86-V89 PolarHBondContact O-N 2.86Å; R86-N90 WeakPolarHBondContact O-CB 3.33Å; R86-N90 VanDerWaalsContact O-CG 3.24Å; R86-N90 PolarHBondContact O-N 3.05Å
87E88.9Confident86.7Confident135 Ų135106.2 Ų106.263%0.63153%0.533SS*.Hα-helixtrans-64.2-43.3177.8-168.7-176.4169.600111.5S83 V84 V89 N90 K91S83-E87 PolarHBondContact O-N 3.3Å; V84-E87 PolarHBondContact O-N 3.22Å; E87-V89 PolarHBondContact O-N 3.31Å; E87-N90 PolarHBondContact O-N 2.77Å; E87-K91 VanDerWaalsContact O-CB 3.31Å; E87-K91 WeakPolarHBondContact O-CB 2.99Å; E87-K91 PolarHBondContact O-N 2.88Å
88Q91.6Very high87.6Confident128 Ų128103.7 Ų103.760%0.59852%0.523SS*.Hα-helixtrans-60.9-44176.1-72.2179.323.100112.2V84 K91 A92V84-Q88 HydrophobicContact CG1-CG 4.5Å; V84-Q88 VanDerWaalsContact CG1-NE2 3.3Å; V84-Q88 WeakPolarHBondContact O-CB 3.39Å; V84-Q88 VanDerWaalsContact O-CG 3.3Å; V84-Q88 WeakPolarHBondContact O-CG 3.45Å; V84-Q88 PolarHBondContact O-N 3.08Å; Q88-K91 PolarHBondContact O-N 3.04Å; Q88-A92 WeakPolarHBondContact O-CB 3.29Å; Q88-A92 PolarHBondContact O-N 2.77Å
89V94Very high88.7Confident101 Ų101103.1 Ų103.161%0.61252%0.523SS*.Hα-helixtrans-63.5-44.2176170.10000111.5G85 R86 E87 K91 A92 Y93G85-V89 WeakPolarHBondContact O-CG2 3.37Å; G85-V89 PolarHBondContact O-N 3.3Å; G85-V89 VanDerWaalsContact O-N 3.1Å; R86-V89 PolarHBondContact O-N 2.86Å; E87-V89 PolarHBondContact O-N 3.31Å; V89-K91 PolarHBondContact O-N 3.45Å; V89-A92 PolarHBondContact O-N 2.7Å; V89-Y93 WeakPolarHBondContact O-CB 3.45Å; V89-Y93 PolarHBondContact O-N 3.43Å
90N95.4Very high89.8Confident82 Ų8297.2 Ų97.244%0.43950%0.498SS..Hα-helixtrans-61.2-44175.9-72.3-11.4000111.5R86 E87 A92 Y93 H94R86-N90 WeakPolarHBondContact O-CB 3.33Å; R86-N90 VanDerWaalsContact O-CG 3.24Å; R86-N90 PolarHBondContact O-N 3.05Å; E87-N90 PolarHBondContact O-N 2.77Å; N90-A92 PolarHBondContact O-N 2.98Å; N90-Y93 PolarHBondContact O-N 2.9Å; N90-H94 PolarHBondContact O-CD2 3.48Å; N90-H94 PolarHBondContact O-N 3.04Å
91K97Very high91.1Very high155 Ų15594 Ų9467%0.67448%0.484SS*.Hα-helixtrans-62.6-41.8177.5-173.6174.8-177.9175.20112.1E87 Q88 V89 A95E87-K91 VanDerWaalsContact O-CB 3.31Å; E87-K91 WeakPolarHBondContact O-CB 2.99Å; E87-K91 PolarHBondContact O-N 2.88Å; Q88-K91 PolarHBondContact O-N 3.04Å; V89-K91 PolarHBondContact O-N 3.45Å; K91-A95 WeakPolarHBondContact O-CB 3.46Å; K91-A95 PolarHBondContact O-N 2.84Å
92A97.4Very high92.6Very high62 Ų6295.3 Ų95.351%0.51249%0.488SS..Hα-helixtrans-65.2-41.3174.400000112.1Q88 V89 N90 A95 Y96Q88-A92 WeakPolarHBondContact O-CB 3.29Å; Q88-A92 PolarHBondContact O-N 2.77Å; V89-A92 PolarHBondContact O-N 2.7Å; N90-A92 PolarHBondContact O-N 2.98Å; A92-A95 PolarHBondContact O-N 3.31Å; A92-Y96 WeakPolarHBondContact O-CB 3.39Å; A92-Y96 PolarHBondContact O-N 2.9Å
93Y98Very high93.9Very high143 Ų14398.6 Ų98.656%0.56149%0.492SS*.Hα-helixtrans-61.9-45.7175.4176.9-96.7000112.2V89 N90 Y96 R97V89-Y93 WeakPolarHBondContact O-CB 3.45Å; V89-Y93 PolarHBondContact O-N 3.43Å; N90-Y93 PolarHBondContact O-N 2.9Å; Y93-Y96 PolarHBondContact O-N 3.09Å; Y93-R97 WeakPolarHBondContact O-CB 3.35Å; Y93-R97 PolarHBondContact O-N 2.85Å
94H98.3Very high94.9Very high115 Ų11599.4 Ų99.453%0.53249%0.491SS..Hα-helixtrans-61.4-47.7174.5-75.3-64.2000111.7N90 Y96 R97 E98N90-H94 PolarHBondContact O-CD2 3.48Å; N90-H94 PolarHBondContact O-N 3.04Å; H94-Y96 VanDerWaalsContact C-N 3.35Å; H94-Y96 PolarHBondContact O-N 3.19Å; H94-R97 WeakPolarHBondContact O-CB 3.43Å; H94-R97 PolarHBondContact O-N 3.23Å; H94-R97 VanDerWaalsContact O-N 3.12Å; H94-E98 WeakPolarHBondContact O-CG 3.43Å; H94-E98 PolarHBondContact O-N 3.25Å
95A98.5Very high95.9Very high58 Ų58100.1 Ų100.148%0.47949%0.493SS..Hα-helixtrans-58.4-44.3177.400000112.5K91 A92 R97 E98 V99K91-A95 WeakPolarHBondContact O-CB 3.46Å; K91-A95 PolarHBondContact O-N 2.84Å; A92-A95 PolarHBondContact O-N 3.31Å; A95-R97 VanDerWaalsContact C-N 3.33Å; A95-R97 PolarHBondContact O-N 2.89Å; A95-E98 PolarHBondContact O-N 3.47Å; A95-V99 WeakPolarHBondContact O-CB 3.37Å; A95-V99 VanDerWaalsContact O-CG2 3.3Å; A95-V99 WeakPolarHBondContact O-CG2 3.38Å; A95-V99 PolarHBondContact O-N 3.41Å
96Y98.5Very high96.7Very high151 Ų151103.9 Ų103.959%0.59251%0.505SS*.Hα-helixtrans-61.4-40.1174.9172.8-100000112.6A92 Y93 H94 V99 C100A92-Y96 WeakPolarHBondContact O-CB 3.39Å; A92-Y96 PolarHBondContact O-N 2.9Å; Y93-Y96 PolarHBondContact O-N 3.09Å; H94-Y96 VanDerWaalsContact C-N 3.35Å; H94-Y96 PolarHBondContact O-N 3.19Å; Y96-V99 PolarHBondContact O-N 2.76Å; Y96-C100 PolarHBondContact O-N 2.86Å; Y96-C100 PolarHBondContact O-SG 2.81Å
97R98.6Very high97.3Very high120 Ų120101.5 Ų101.545%0.45350%0.499SS..Hα-helixtrans-65.3-44.8-179.9-172.2-177.9179-75.1-5.4112Y93 H94 A95 C100 I101Y93-R97 WeakPolarHBondContact O-CB 3.35Å; Y93-R97 PolarHBondContact O-N 2.85Å; H94-R97 WeakPolarHBondContact O-CB 3.43Å; H94-R97 PolarHBondContact O-N 3.23Å; H94-R97 VanDerWaalsContact O-N 3.12Å; A95-R97 VanDerWaalsContact C-N 3.33Å; A95-R97 PolarHBondContact O-N 2.89Å; R97-C100 WeakPolarHBondContact O-CB 3.37Å; R97-C100 PolarHBondContact O-N 3.45Å; R97-I101 VanDerWaalsContact NH1-CD1 3.32Å; R97-I101 PolarHBondContact O-N 3.48Å; R97-I101 VanDerWaalsContact O-N 3.12Å
98E98.5Very high97.7Very high91 Ų9198.7 Ų98.743%0.42549%0.494SS..Hα-helixtrans-70-37.6178.2-55.5-46.1107.800111.2H94 A95 C100 I101 D102H94-E98 WeakPolarHBondContact O-CG 3.43Å; H94-E98 PolarHBondContact O-N 3.25Å; A95-E98 PolarHBondContact O-N 3.47Å; E98-C100 VanDerWaalsContact C-N 3.28Å; E98-C100 PolarHBondContact O-N 2.99Å; E98-I101 WeakPolarHBondContact O-CB 3.48Å; E98-I101 PolarHBondContact O-N 2.91Å; E98-D102 PolarHBondContact O-N 2.94Å
99V98.6Very high98.1Very high95 Ų9599.3 Ų99.358%0.57650%0.495SS*.Hα-helixtrans-60.6-34.9171168.50000112.4A95 Y96 R103A95-V99 WeakPolarHBondContact O-CB 3.37Å; A95-V99 VanDerWaalsContact O-CG2 3.3Å; A95-V99 WeakPolarHBondContact O-CG2 3.38Å; A95-V99 PolarHBondContact O-N 3.41Å; Y96-V99 PolarHBondContact O-N 2.76Å; V99-R103 VanDerWaalsContact O-CB 3.31Å; V99-R103 WeakPolarHBondContact O-CB 3.17Å; V99-R103 PolarHBondContact O-N 3.05Å
100C98.6Very high98.3Very high19 Ų1998.9 Ų98.913%0.12849%0.489CS..Hα-helixtrans-65.9-40.7172.3-70.90000112.3Y96 R97 E98 R103 D104Y96-C100 PolarHBondContact O-N 2.86Å; Y96-C100 PolarHBondContact O-SG 2.81Å; R97-C100 WeakPolarHBondContact O-CB 3.37Å; R97-C100 PolarHBondContact O-N 3.45Å; E98-C100 VanDerWaalsContact C-N 3.28Å; E98-C100 PolarHBondContact O-N 2.99Å; C100-R103 PolarHBondContact O-N 2.94Å; C100-R103 PolarHBondContact SG-NH1 3Å; C100-R103 VanDerWaalsContact SG-NH1 3.41Å; C100-D104 VanDerWaalsContact O-CG 3.24Å; C100-D104 PolarHBondContact O-N 2.58Å
101I98.6Very high98.4Very high63 Ų6399 Ų9932%0.32349%0.49SS..Hα-helixtrans-64.6-45.3176.5-70.6165.2000110.3R97 E98 D104 N105R97-I101 VanDerWaalsContact NH1-CD1 3.32Å; R97-I101 PolarHBondContact O-N 3.48Å; R97-I101 VanDerWaalsContact O-N 3.12Å; E98-I101 WeakPolarHBondContact O-CB 3.48Å; E98-I101 PolarHBondContact O-N 2.91Å; I101-D104 PolarHBondContact O-N 3.41Å; I101-N105 WeakPolarHBondContact CG2-ND2 3.28Å; I101-N105 WeakPolarHBondContact O-CB 3.27Å; I101-N105 PolarHBondContact O-N 3.37Å; I101-N105 PolarHBondContact O-ND2 3.17Å
102D98.6Very high98.5Very high94 Ų9497.6 Ų97.650%0.50348%0.484SS..Hα-helixtrans-65.2-39.7177.2-81-24.9000112.8E98 D104 N105 L106E98-D102 PolarHBondContact O-N 2.94Å; D102-D104 VanDerWaalsContact C-N 3.34Å; D102-D104 PolarHBondContact O-N 3.24Å; D102-N105 PolarHBondContact O-N 3.31Å; D102-L106 VanDerWaalsContact O-CB 3.29Å; D102-L106 WeakPolarHBondContact O-CB 3.35Å; D102-L106 VanDerWaalsContact O-CG 3.23Å; D102-L106 WeakPolarHBondContact O-CG 3.49Å; D102-L106 PolarHBondContact O-N 3.41Å
103R98.6Very high98.6Very high126 Ų126100.7 Ų100.748%0.47549%0.489SS..Hα-helixtrans-56-48.3171.1177.9-160.167.7-138.5-7.7111.2V99 C100 L106 K107V99-R103 VanDerWaalsContact O-CB 3.31Å; V99-R103 WeakPolarHBondContact O-CB 3.17Å; V99-R103 PolarHBondContact O-N 3.05Å; C100-R103 PolarHBondContact O-N 2.94Å; C100-R103 PolarHBondContact SG-NH1 3Å; C100-R103 VanDerWaalsContact SG-NH1 3.41Å; R103-L106 PolarHBondContact O-N 2.94Å; R103-K107 WeakPolarHBondContact O-CB 3.28Å; R103-K107 PolarHBondContact O-N 3.22Å
104D98.6Very high98.6Very high78 Ų7898 Ų9842%0.41748%0.484SS..Hα-helixtrans-74.2-33.5-175.3-64.3-18.1000111.6C100 I101 D102 S108C100-D104 VanDerWaalsContact O-CG 3.24Å; C100-D104 PolarHBondContact O-N 2.58Å; I101-D104 PolarHBondContact O-N 3.41Å; D102-D104 VanDerWaalsContact C-N 3.34Å; D102-D104 PolarHBondContact O-N 3.24Å; D104-S108 WeakPolarHBondContact O-CB 3.31Å; D104-S108 PolarHBondContact O-N 2.95Å
105N98.7Very high98.6Very high79 Ų7997.7 Ų97.742%0.42248%0.481SS..Hα-helixtrans-62.4-45.7168.6-75.8-31.5000112.3I101 D102 S108 K109I101-N105 WeakPolarHBondContact CG2-ND2 3.28Å; I101-N105 WeakPolarHBondContact O-CB 3.27Å; I101-N105 PolarHBondContact O-N 3.37Å; I101-N105 PolarHBondContact O-ND2 3.17Å; D102-N105 PolarHBondContact O-N 3.31Å; N105-S108 PolarHBondContact O-N 3.12Å; N105-K109 WeakPolarHBondContact O-CG 3.5Å; N105-K109 PolarHBondContact O-N 2.88Å
106L98.8Very high98.6Very high112 Ų11298.3 Ų98.359%0.58648%0.477SS*.Hα-helixtrans-67-40.5177.7-75169.7000111.4D102 R103 K109 L110D102-L106 VanDerWaalsContact O-CB 3.29Å; D102-L106 WeakPolarHBondContact O-CB 3.35Å; D102-L106 VanDerWaalsContact O-CG 3.23Å; D102-L106 WeakPolarHBondContact O-CG 3.49Å; D102-L106 PolarHBondContact O-N 3.41Å; R103-L106 PolarHBondContact O-N 2.94Å; L106-K109 PolarHBondContact O-N 2.8Å; L106-L110 WeakPolarHBondContact O-CB 3.44Å; L106-L110 PolarHBondContact O-N 2.95Å
107K98.7Very high98.6Very high124 Ų12495.3 Ų95.354%0.53947%0.471SS..Hα-helixtrans-59.6-48.9172.6-177.3177.7177-176.90111.3R103 K109 L110 D111R103-K107 WeakPolarHBondContact O-CB 3.28Å; R103-K107 PolarHBondContact O-N 3.22Å; K107-K109 VanDerWaalsContact C-N 3.31Å; K107-K109 PolarHBondContact O-N 3.43Å; K107-L110 PolarHBondContact O-N 3.02Å; K107-L110 VanDerWaalsContact O-N 3.11Å; K107-D111 WeakPolarHBondContact CG-OD2 3.33Å; K107-D111 WeakPolarHBondContact O-CB 3.43Å; K107-D111 PolarHBondContact O-N 2.98Å
108S98.7Very high98.6Very high76 Ų7692.3 Ų92.353%0.53147%0.468SS..Hα-helixtrans-59.3-39.5176.9-178.60000112.7D104 N105 K112D104-S108 WeakPolarHBondContact O-CB 3.31Å; D104-S108 PolarHBondContact O-N 2.95Å; N105-S108 PolarHBondContact O-N 3.12Å; S108-K112 WeakPolarHBondContact O-CB 3.49Å; S108-K112 PolarHBondContact O-N 3.14Å
109K98.8Very high98.6Very high141 Ų14192.6 Ų92.661%0.61347%0.469SS*.Hα-helixtrans-64.3-41.3173.6-72.9168.7-178174.20112.5N105 L106 K107 M113N105-K109 WeakPolarHBondContact O-CG 3.5Å; N105-K109 PolarHBondContact O-N 2.88Å; L106-K109 PolarHBondContact O-N 2.8Å; K107-K109 VanDerWaalsContact C-N 3.31Å; K107-K109 PolarHBondContact O-N 3.43Å; K109-M113 WeakPolarHBondContact O-CB 3.4Å; K109-M113 PolarHBondContact O-N 2.98Å
110L98.7Very high98.6Very high93 Ų9391.7 Ų91.749%0.48747%0.467SS..Hα-helixtrans-67.5-46.617717860.9000111.6L106 K107 K112 M113 N114L106-L110 WeakPolarHBondContact O-CB 3.44Å; L106-L110 PolarHBondContact O-N 2.95Å; K107-L110 PolarHBondContact O-N 3.02Å; K107-L110 VanDerWaalsContact O-N 3.11Å; L110-K112 VanDerWaalsContact C-N 3.3Å; L110-K112 PolarHBondContact O-N 3.2Å; L110-M113 PolarHBondContact O-N 3.14Å; L110-N114 WeakPolarHBondContact O-CB 3.29Å; L110-N114 PolarHBondContact O-N 3.25Å; L110-N114 PolarHBondContact O-ND2 3.03Å
111D98.6Very high98.6Very high85 Ų8595.5 Ų95.546%0.45549%0.486SS..Hα-helixtrans-60.6-40.8177.1-69.7-23.5000110.7K107 K115K107-D111 WeakPolarHBondContact CG-OD2 3.33Å; K107-D111 WeakPolarHBondContact O-CB 3.43Å; K107-D111 PolarHBondContact O-N 2.98Å; D111-K115 WeakPolarHBondContact O-CB 3.41Å; D111-K115 PolarHBondContact O-N 3.49Å
112K98.8Very high98.6Very high125 Ų12598.3 Ų98.354%0.54350%0.496SS..Hα-helixtrans-63.6-49.4171.7-172.5-176.5-175-71.50112.1S108 L110 N114 K115 D116S108-K112 WeakPolarHBondContact O-CB 3.49Å; S108-K112 PolarHBondContact O-N 3.14Å; L110-K112 VanDerWaalsContact C-N 3.3Å; L110-K112 PolarHBondContact O-N 3.2Å; K112-N114 VanDerWaalsContact C-N 3.29Å; K112-N114 PolarHBondContact O-N 3.43Å; K112-K115 WeakPolarHBondContact O-CA 3.3Å; K112-K115 WeakPolarHBondContact O-CB 3.34Å; K112-K115 PolarHBondContact O-N 2.93Å; K112-D116 IonicContact NZ-OD1 2.64Å; K112-D116 PolarHBondContact NZ-OD1 3.35Å; K112-D116 IonicContact NZ-OD2 2.63Å; K112-D116 PolarHBondContact NZ-OD2 2.91Å; K112-D116 VanDerWaalsContact O-CG 3.27Å; K112-D116 PolarHBondContact O-N 3.39Å
113M98.6Very high98.6Very high127 Ų12797.2 Ų97.263%0.62649%0.492SS*.Hα-helixtrans-59.6-40.9180-174.1-173.7-64.100111.6K109 L110 K115 N117K109-M113 WeakPolarHBondContact O-CB 3.4Å; K109-M113 PolarHBondContact O-N 2.98Å; L110-M113 PolarHBondContact O-N 3.14Å; M113-K115 VanDerWaalsContact C-N 3.34Å; M113-N117 WeakPolarHBondContact O-CB 3.37Å; M113-N117 PolarHBondContact O-N 3.47Å
114N98.6Very high98.6Very high85 Ų8596.3 Ų96.346%0.45550%0.496SS..Hα-helixtrans-63-40173.8-74.7-30.5000111.8L110 K112 S118L110-N114 WeakPolarHBondContact O-CB 3.29Å; L110-N114 PolarHBondContact O-N 3.25Å; L110-N114 PolarHBondContact O-ND2 3.03Å; K112-N114 VanDerWaalsContact C-N 3.29Å; K112-N114 PolarHBondContact O-N 3.43Å; N114-S118 WeakPolarHBondContact O-CB 3.32Å; N114-S118 PolarHBondContact O-N 2.93Å; N114-S118 PolarHBondContact O-OG 3.13Å
115K98.7Very high98.6Very high109 Ų10996.2 Ų96.247%0.47450%0.496SS..Hα-helixtrans-64.8-53.5175.7-165.872.8-179.771.90111.6D111 K112 M113 N117 S118 E119D111-K115 WeakPolarHBondContact O-CB 3.41Å; D111-K115 PolarHBondContact O-N 3.49Å; K112-K115 WeakPolarHBondContact O-CA 3.3Å; K112-K115 WeakPolarHBondContact O-CB 3.34Å; K112-K115 PolarHBondContact O-N 2.93Å; M113-K115 VanDerWaalsContact C-N 3.34Å; K115-N117 VanDerWaalsContact C-N 3.28Å; K115-N117 PolarHBondContact O-N 2.84Å; K115-S118 PolarHBondContact O-N 3.28Å; K115-S118 VanDerWaalsContact O-N 3.09Å; K115-S118 PolarHBondContact O-OG 3.43Å; K115-E119 IonicContact NZ-OE1 2.7Å; K115-E119 PolarHBondContact NZ-OE1 3.38Å; K115-E119 PolarHBondContact O-N 3.31Å
116D98.5Very high98.6Very high72 Ų7296.6 Ų96.639%0.38550%0.495SS..Hα-helixtrans-56.5-42.7178.7-62.7-10.6000110.7K112 E119 S120K112-D116 IonicContact NZ-OD1 2.64Å; K112-D116 PolarHBondContact NZ-OD1 3.35Å; K112-D116 IonicContact NZ-OD2 2.63Å; K112-D116 PolarHBondContact NZ-OD2 2.91Å; K112-D116 VanDerWaalsContact O-CG 3.27Å; K112-D116 PolarHBondContact O-N 3.39Å; D116-E119 PolarHBondContact O-N 2.84Å; D116-S120 WeakPolarHBondContact O-CB 3.47Å; D116-S120 PolarHBondContact O-N 2.92Å
117N98.5Very high98.6Very high87 Ų8796.8 Ų96.847%0.46549%0.493SS..Hα-helixtrans-65.9-42.5175.7-176.348.6000112.6M113 K115 E119 S120 L121M113-N117 WeakPolarHBondContact O-CB 3.37Å; M113-N117 PolarHBondContact O-N 3.47Å; K115-N117 VanDerWaalsContact C-N 3.28Å; K115-N117 PolarHBondContact O-N 2.84Å; N117-E119 VanDerWaalsContact C-N 3.29Å; N117-E119 PolarHBondContact O-N 2.87Å; N117-S120 PolarHBondContact O-N 2.92Å; N117-L121 WeakPolarHBondContact O-CB 3.4Å; N117-L121 WeakPolarHBondContact O-CG 3.32Å; N117-L121 PolarHBondContact O-N 3.43Å
118S98.5Very high98.6Very high57 Ų5795.4 Ų95.440%0.39949%0.491SS..Hα-helixtrans-63.4-34.6176.974.10000112.7N114 K115 K122N114-S118 WeakPolarHBondContact O-CB 3.32Å; N114-S118 PolarHBondContact O-N 2.93Å; N114-S118 PolarHBondContact O-OG 3.13Å; K115-S118 PolarHBondContact O-N 3.28Å; K115-S118 VanDerWaalsContact O-N 3.09Å; K115-S118 PolarHBondContact O-OG 3.43Å; S118-K122 WeakPolarHBondContact O-CB 3.48Å; S118-K122 PolarHBondContact O-N 3.21Å; S118-K122 VanDerWaalsContact O-N 3.08Å
119E98.6Very high98.6Very high97 Ų9796.6 Ų96.645%0.45349%0.488SS..Hα-helixtrans-73.9-42.7175.9-70.7179.6-174.300111.4K115 D116 N117 L121 K122 V123K115-E119 IonicContact NZ-OE1 2.7Å; K115-E119 PolarHBondContact NZ-OE1 3.38Å; K115-E119 PolarHBondContact O-N 3.31Å; D116-E119 PolarHBondContact O-N 2.84Å; N117-E119 VanDerWaalsContact C-N 3.29Å; N117-E119 PolarHBondContact O-N 2.87Å; E119-L121 PolarHBondContact O-N 2.78Å; E119-K122 WeakPolarHBondContact O-CB 3.39Å; E119-K122 PolarHBondContact O-N 3.29Å; E119-V123 WeakPolarHBondContact O-CG2 3.37Å; E119-V123 PolarHBondContact O-N 2.96Å
120S98.4Very high98.6Very high76 Ų7693.3 Ų93.353%0.53148%0.483SS..Hα-helixtrans-57.8-47.5173.9-173.50000112D116 N117 K122 V123 L124D116-S120 WeakPolarHBondContact O-CB 3.47Å; D116-S120 PolarHBondContact O-N 2.92Å; N117-S120 PolarHBondContact O-N 2.92Å; S120-K122 PolarHBondContact O-N 3.29Å; S120-V123 PolarHBondContact O-N 2.97Å; S120-L124 WeakPolarHBondContact O-CB 3.47Å; S120-L124 PolarHBondContact O-N 3.21Å
121L98.6Very high98.6Very high99 Ų9994.5 Ų94.552%0.51848%0.484SS..Hα-helixtrans-62.7-39.1175.4-73.7169.8000112.4N117 E119 L124 N125N117-L121 WeakPolarHBondContact O-CB 3.4Å; N117-L121 WeakPolarHBondContact O-CG 3.32Å; N117-L121 PolarHBondContact O-N 3.43Å; E119-L121 PolarHBondContact O-N 2.78Å; L121-L124 PolarHBondContact O-N 3.39Å; L121-N125 WeakPolarHBondContact O-CB 3.24Å; L121-N125 PolarHBondContact O-N 2.84Å
122K98.7Very high98.6Very high123 Ų12395.4 Ų95.454%0.53549%0.486SS..Hα-helixtrans-62.7-47.6175.3-179176.3177.7-71.50111.6S118 E119 S120 L124 N125 E126S118-K122 WeakPolarHBondContact O-CB 3.48Å; S118-K122 PolarHBondContact O-N 3.21Å; S118-K122 VanDerWaalsContact O-N 3.08Å; E119-K122 WeakPolarHBondContact O-CB 3.39Å; E119-K122 PolarHBondContact O-N 3.29Å; S120-K122 PolarHBondContact O-N 3.29Å; K122-L124 PolarHBondContact O-N 2.94Å; K122-N125 PolarHBondContact O-N 3.22Å; K122-E126 WeakPolarHBondContact CE-OE1 3.31Å; K122-E126 IonicContact NZ-OE1 3.77Å; K122-E126 PolarHBondContact NZ-OE1 3.41Å; K122-E126 IonicContact NZ-OE2 2.84Å; K122-E126 WeakPolarHBondContact O-CG 3.28Å; K122-E126 PolarHBondContact O-N 3.25Å
123V98.7Very high98.6Very high71 Ų7193.9 Ų93.943%0.4349%0.487SS..Hα-helixtrans-63.9-40.3178.3171.70000111.3E119 S120 N125 E126 Q127E119-V123 WeakPolarHBondContact O-CG2 3.37Å; E119-V123 PolarHBondContact O-N 2.96Å; S120-V123 PolarHBondContact O-N 2.97Å; V123-N125 VanDerWaalsContact C-N 3.35Å; V123-N125 PolarHBondContact O-N 2.95Å; V123-E126 PolarHBondContact O-N 2.87Å; V123-Q127 WeakPolarHBondContact O-CG 3.35Å; V123-Q127 PolarHBondContact O-N 2.98Å
124L98.6Very high98.6Very high106 Ų10691.7 Ų91.756%0.55548%0.475SS*.Hα-helixtrans-64.1-39.4175.7-176.462.2000112S120 L121 K122 Q127 L128S120-L124 WeakPolarHBondContact O-CB 3.47Å; S120-L124 PolarHBondContact O-N 3.21Å; L121-L124 PolarHBondContact O-N 3.39Å; K122-L124 PolarHBondContact O-N 2.94Å; L124-Q127 PolarHBondContact O-N 3.42Å; L124-L128 WeakPolarHBondContact O-CB 3.49Å; L124-L128 PolarHBondContact O-N 3.5Å
125N98.6Very high98.6Very high77 Ų7791.9 Ų91.941%0.41248%0.476SS..Hα-helixtrans-66.4-40.5174.4-176.894.9000112.1L121 K122 V123 Q127 L128 Q129L121-N125 WeakPolarHBondContact O-CB 3.24Å; L121-N125 PolarHBondContact O-N 2.84Å; K122-N125 PolarHBondContact O-N 3.22Å; V123-N125 VanDerWaalsContact C-N 3.35Å; V123-N125 PolarHBondContact O-N 2.95Å; N125-Q127 VanDerWaalsContact C-N 3.35Å; N125-L128 PolarHBondContact O-N 2.72Å; N125-Q129 VanDerWaalsContact ND2-CD 3.25Å; N125-Q129 PolarHBondContact ND2-NE2 2.88Å; N125-Q129 VanDerWaalsContact ND2-NE2 3.14Å; N125-Q129 PolarHBondContact ND2-OE1 3.42Å; N125-Q129 WeakPolarHBondContact O-CG 3.48Å; N125-Q129 PolarHBondContact O-N 2.98Å
126E98.6Very high98.6Very high87 Ų8791.6 Ų91.641%0.40748%0.479SS..Hα-helixtrans-63.3-39.8174.6-73.8170.2168.800111.8K122 V123 S130K122-E126 WeakPolarHBondContact CE-OE1 3.31Å; K122-E126 IonicContact NZ-OE1 3.77Å; K122-E126 PolarHBondContact NZ-OE1 3.41Å; K122-E126 IonicContact NZ-OE2 2.84Å; K122-E126 WeakPolarHBondContact O-CG 3.28Å; K122-E126 PolarHBondContact O-N 3.25Å; V123-E126 PolarHBondContact O-N 2.87Å; E126-S130 WeakPolarHBondContact O-CB 3.36Å; E126-S130 PolarHBondContact O-N 2.69Å
127Q98.7Very high98.6Very high116 Ų11694.5 Ų94.554%0.54249%0.49SS..Hα-helixtrans-64.4-41.8172.7-73.1177.36.900112.4V123 L124 N125 S130 K131V123-Q127 WeakPolarHBondContact O-CG 3.35Å; V123-Q127 PolarHBondContact O-N 2.98Å; L124-Q127 PolarHBondContact O-N 3.42Å; N125-Q127 VanDerWaalsContact C-N 3.35Å; Q127-S130 PolarHBondContact O-N 2.9Å; Q127-K131 WeakPolarHBondContact O-CG 3.45Å; Q127-K131 PolarHBondContact O-N 2.65Å
128L98.6Very high98.6Very high95 Ų9595 Ų9550%0.49749%0.492SS..Hα-helixtrans-60.3-52.4175.4177.261.1000110.8L124 N125 S130 K131 E132L124-L128 WeakPolarHBondContact O-CB 3.49Å; L124-L128 PolarHBondContact O-N 3.5Å; N125-L128 PolarHBondContact O-N 2.72Å; L128-S130 VanDerWaalsContact C-N 3.32Å; L128-S130 PolarHBondContact O-N 2.88Å; L128-K131 CarbonylContact O-C 3.59Å; L128-K131 WeakPolarHBondContact O-CA 3.5Å; L128-K131 PolarHBondContact O-N 3.34Å; L128-E132 HydrophobicContact CD1-CG 4.43Å; L128-E132 WeakPolarHBondContact O-CG 3.4Å; L128-E132 PolarHBondContact O-N 3.07Å
129Q98.7Very high98.6Very high100 Ų100100.2 Ų100.247%0.46750%0.503SS..Hα-helixtrans-60.2-39.8178.6-71.7176.6-14.200112.1N125 K131 E132 V133N125-Q129 VanDerWaalsContact ND2-CD 3.25Å; N125-Q129 PolarHBondContact ND2-NE2 2.88Å; N125-Q129 VanDerWaalsContact ND2-NE2 3.14Å; N125-Q129 PolarHBondContact ND2-OE1 3.42Å; N125-Q129 WeakPolarHBondContact O-CG 3.48Å; N125-Q129 PolarHBondContact O-N 2.98Å; Q129-K131 VanDerWaalsContact C-N 3.29Å; Q129-K131 PolarHBondContact O-N 3.25Å; Q129-E132 PolarHBondContact O-N 2.89Å; Q129-V133 WeakPolarHBondContact O-CG2 3.39Å; Q129-V133 PolarHBondContact O-N 3.44Å
130S98.7Very high98.6Very high73 Ų7399.5 Ų99.551%0.5151%0.505SS..Hα-helixtrans-60.6-37.3173-173.30000112.3E126 Q127 L128 E134E126-S130 WeakPolarHBondContact O-CB 3.36Å; E126-S130 PolarHBondContact O-N 2.69Å; Q127-S130 PolarHBondContact O-N 2.9Å; L128-S130 VanDerWaalsContact C-N 3.32Å; L128-S130 PolarHBondContact O-N 2.88Å; S130-E134 WeakPolarHBondContact O-CB 3.37Å; S130-E134 PolarHBondContact O-N 2.95Å
131K98.6Very high98.6Very high117 Ų117100.5 Ų100.551%0.50950%0.501SS..Hα-helixtrans-77.9-30.1177.8-74-62.3-178.2-1640113.5Q127 L128 Q129 E134 L135Q127-K131 WeakPolarHBondContact O-CG 3.45Å; Q127-K131 PolarHBondContact O-N 2.65Å; L128-K131 CarbonylContact O-C 3.59Å; L128-K131 WeakPolarHBondContact O-CA 3.5Å; L128-K131 PolarHBondContact O-N 3.34Å; Q129-K131 VanDerWaalsContact C-N 3.29Å; Q129-K131 PolarHBondContact O-N 3.25Å; K131-E134 WeakPolarHBondContact CD-OE2 3.37Å; K131-E134 IonicContact NZ-OE1 3.48Å; K131-E134 PolarHBondContact NZ-OE1 3.42Å; K131-E134 IonicContact NZ-OE2 2.68Å; K131-E134 PolarHBondContact NZ-OE2 3.03Å; K131-L135 VanDerWaalsContact O-CB 3.24Å; K131-L135 WeakPolarHBondContact O-CB 3.45Å; K131-L135 PolarHBondContact O-N 3.4Å
132E98.5Very high98.5Very high104 Ų104100.2 Ų100.249%0.48650%0.504SS..Hα-helixtrans-63.5-44.5169.4-69.5174.5147.700111L128 Q129 L135 L136L128-E132 HydrophobicContact CD1-CG 4.43Å; L128-E132 WeakPolarHBondContact O-CG 3.4Å; L128-E132 PolarHBondContact O-N 3.07Å; Q129-E132 PolarHBondContact O-N 2.89Å; E132-L135 PolarHBondContact O-N 3.02Å; E132-L136 VanDerWaalsContact O-CG 3.31Å; E132-L136 WeakPolarHBondContact O-CG 3.44Å; E132-L136 PolarHBondContact O-N 2.93Å
133V98.7Very high98.5Very high93 Ų93100.7 Ų100.756%0.56451%0.508SS*.Hα-helixtrans-65.4-44.6175.9173.60000111.9Q129 L135 L136 Q137Q129-V133 WeakPolarHBondContact O-CG2 3.39Å; Q129-V133 PolarHBondContact O-N 3.44Å; V133-L135 VanDerWaalsContact C-N 3.32Å; V133-L135 PolarHBondContact O-N 3.43Å; V133-L136 PolarHBondContact O-N 3.29Å; V133-Q137 PolarHBondContact O-N 3.36Å
134E98.5Very high98.3Very high82 Ų82100.7 Ų100.738%0.38351%0.508SS..Hα-helixtrans-58.3-42.8175.1-176-179.3128.500111.8S130 K131 Q137 L138S130-E134 WeakPolarHBondContact O-CB 3.37Å; S130-E134 PolarHBondContact O-N 2.95Å; K131-E134 WeakPolarHBondContact CD-OE2 3.37Å; K131-E134 IonicContact NZ-OE1 3.48Å; K131-E134 PolarHBondContact NZ-OE1 3.42Å; K131-E134 IonicContact NZ-OE2 2.68Å; K131-E134 PolarHBondContact NZ-OE2 3.03Å; E134-Q137 PolarHBondContact O-N 3.04Å; E134-L138 HydrophobicContact CG-CD1 4.3Å; E134-L138 WeakPolarHBondContact O-CB 3.39Å; E134-L138 VanDerWaalsContact O-CG 3.32Å; E134-L138 WeakPolarHBondContact O-CG 3.16Å; E134-L138 PolarHBondContact O-N 3.39Å
135L98.7Very high98.2Very high89 Ų89100 Ų10047%0.46650%0.502SS..Hα-helixtrans-67.9-38.8177.6-172.4155000112.1K131 E132 V133 R139K131-L135 VanDerWaalsContact O-CB 3.24Å; K131-L135 WeakPolarHBondContact O-CB 3.45Å; K131-L135 PolarHBondContact O-N 3.4Å; E132-L135 PolarHBondContact O-N 3.02Å; V133-L135 VanDerWaalsContact C-N 3.32Å; V133-L135 PolarHBondContact O-N 3.43Å; L135-R139 HydrophobicContact CD2-CG 4.29Å; L135-R139 WeakPolarHBondContact O-CG 3.41Å; L135-R139 PolarHBondContact O-N 2.95Å
136L98.7Very high98Very high103 Ų103100.4 Ų100.454%0.53950%0.501SS..Hα-helixtrans-63.9-44.5173.2-73.6168.9000111.4E132 V133 R139 T140E132-L136 VanDerWaalsContact O-CG 3.31Å; E132-L136 WeakPolarHBondContact O-CG 3.44Å; E132-L136 PolarHBondContact O-N 2.93Å; V133-L136 PolarHBondContact O-N 3.29Å; L136-R139 PolarHBondContact O-N 2.99Å; L136-T140 PolarHBondContact O-N 2.94Å; L136-T140 PolarHBondContact O-OG1 3.26Å; L136-T140 VanDerWaalsContact O-OG1 3.07Å
137Q98.6Very high97.8Very high133 Ų13399.6 Ų99.662%0.62150%0.503SS*.Hα-helixtrans-60.3-46.9175.6-178.6176.3-15.700111.6V133 E134 R139 T140 E141V133-Q137 PolarHBondContact O-N 3.36Å; E134-Q137 PolarHBondContact O-N 3.04Å; Q137-R139 VanDerWaalsContact C-N 3.32Å; Q137-R139 PolarHBondContact O-N 3.35Å; Q137-T140 PolarHBondContact O-N 3.5Å; Q137-E141 PolarHBondContact O-N 2.97Å
138L98.6Very high97.4Very high96 Ų9699.1 Ų99.150%0.50350%0.502SS..Hα-helixtrans-62.6-36.4177-73.1169.5000112.4E134 E141 V142E134-L138 HydrophobicContact CG-CD1 4.3Å; E134-L138 WeakPolarHBondContact O-CB 3.39Å; E134-L138 VanDerWaalsContact O-CG 3.32Å; E134-L138 WeakPolarHBondContact O-CG 3.16Å; E134-L138 PolarHBondContact O-N 3.39Å; L138-E141 PolarHBondContact O-N 3.49Å; L138-V142 WeakPolarHBondContact O-CB 3.42Å; L138-V142 VanDerWaalsContact O-CG2 3.32Å; L138-V142 WeakPolarHBondContact O-CG2 3.5Å; L138-V142 PolarHBondContact O-N 2.93Å
139R98.4Very high97Very high168 Ų168101.5 Ų101.563%0.63450%0.504SS*.Hα-helixtrans-63.6-48.2172-77.8-178.2179.2-158.23.6111.7L135 L136 Q137 E141 V142 E143L135-R139 HydrophobicContact CD2-CG 4.29Å; L135-R139 WeakPolarHBondContact O-CG 3.41Å; L135-R139 PolarHBondContact O-N 2.95Å; L136-R139 PolarHBondContact O-N 2.99Å; Q137-R139 VanDerWaalsContact C-N 3.32Å; Q137-R139 PolarHBondContact O-N 3.35Å; R139-E141 VanDerWaalsContact C-N 3.29Å; R139-E141 PolarHBondContact O-N 3.47Å; R139-V142 PolarHBondContact O-N 2.91Å; R139-E143 WeakPolarHBondContact O-CB 3.36Å; R139-E143 PolarHBondContact O-N 3.46Å
140T98.2Very high96.4Very high82 Ų82101.8 Ų101.850%0.50351%0.509SS..Hα-helixtrans-61.9-37.5177.8-56.10000111.6L136 Q137 T144L136-T140 PolarHBondContact O-N 2.94Å; L136-T140 PolarHBondContact O-OG1 3.26Å; L136-T140 VanDerWaalsContact O-OG1 3.07Å; Q137-T140 PolarHBondContact O-N 3.5Å; T140-T144 VanDerWaalsContact O-CB 3.28Å; T140-T144 WeakPolarHBondContact O-CB 3.37Å; T140-T144 PolarHBondContact O-N 2.95Å; T140-T144 PolarHBondContact O-OG1 3.43Å
141E97.8Very high95.9Very high96 Ų96104.7 Ų104.745%0.44952%0.518SS..Hα-helixtrans-65.3-49.2174.1-176175.3177.800111.6Q137 L138 R139 E143 T144 Q145Q137-E141 PolarHBondContact O-N 2.97Å; L138-E141 PolarHBondContact O-N 3.49Å; R139-E141 VanDerWaalsContact C-N 3.29Å; R139-E141 PolarHBondContact O-N 3.47Å; E141-E143 VanDerWaalsContact C-N 3.33Å; E141-E143 PolarHBondContact O-N 2.92Å; E141-T144 PolarHBondContact O-N 3.32Å; E141-Q145 HydrophobicContact CG-CG 4.28Å; E141-Q145 WeakPolarHBondContact O-CB 3.41Å; E141-Q145 VanDerWaalsContact O-CG 3.3Å; E141-Q145 WeakPolarHBondContact O-CG 3.37Å; E141-Q145 PolarHBondContact O-N 3.48Å; E141-Q145 PolarHBondContact OE1-NE2 2.92Å
142V97.8Very high95.1Very high94 Ų94105.2 Ų105.257%0.5753%0.526SS*.Hα-helixtrans-60.8-41.2177.6168.40000111.7L138 R139 Q145 Q146L138-V142 WeakPolarHBondContact O-CB 3.42Å; L138-V142 VanDerWaalsContact O-CG2 3.32Å; L138-V142 WeakPolarHBondContact O-CG2 3.5Å; L138-V142 PolarHBondContact O-N 2.93Å; R139-V142 PolarHBondContact O-N 2.91Å; V142-Q145 PolarHBondContact O-N 2.91Å; V142-Q146 WeakPolarHBondContact O-CB 3.4Å; V142-Q146 PolarHBondContact O-N 3.33Å
143E97.2Very high94Very high132 Ų132104.9 Ų104.962%0.61753%0.533SS*.Hα-helixtrans-63.5-45.3174.8-176168.6-157.900111.5R139 E141 Q146 V147R139-E143 WeakPolarHBondContact O-CB 3.36Å; R139-E143 PolarHBondContact O-N 3.46Å; E141-E143 VanDerWaalsContact C-N 3.33Å; E141-E143 PolarHBondContact O-N 2.92Å; E143-Q146 PolarHBondContact O-N 3.34Å; E143-V147 WeakPolarHBondContact O-CG2 3.34Å; E143-V147 PolarHBondContact O-N 3.4Å
144T96.3Very high92.4Very high71 Ų71104.2 Ų104.244%0.43653%0.531SS..Hα-helixtrans-63-44.2176.1-56.70000111.5T140 E141 Q146 V147 M148T140-T144 VanDerWaalsContact O-CB 3.28Å; T140-T144 WeakPolarHBondContact O-CB 3.37Å; T140-T144 PolarHBondContact O-N 2.95Å; T140-T144 PolarHBondContact O-OG1 3.43Å; E141-T144 PolarHBondContact O-N 3.32Å; T144-Q146 VanDerWaalsContact C-N 3.31Å; T144-Q146 PolarHBondContact O-N 2.92Å; T144-V147 PolarHBondContact O-N 2.99Å; T144-M148 HydrophobicContact CG2-CE 4.31Å; T144-M148 WeakPolarHBondContact O-CB 3.32Å; T144-M148 WeakPolarHBondContact O-CG 3.37Å; T144-M148 PolarHBondContact O-N 3.08Å
145Q94.8Very high90.7Very high91 Ų91104.7 Ų104.743%0.42554%0.543SS..Hα-helixtrans-60.6-40174.6-72.5-178.417.200111.3E141 V142 M148 R149E141-Q145 HydrophobicContact CG-CG 4.28Å; E141-Q145 WeakPolarHBondContact O-CB 3.41Å; E141-Q145 VanDerWaalsContact O-CG 3.3Å; E141-Q145 WeakPolarHBondContact O-CG 3.37Å; E141-Q145 PolarHBondContact O-N 3.48Å; E141-Q145 PolarHBondContact OE1-NE2 2.92Å; V142-Q145 PolarHBondContact O-N 2.91Å; Q145-M148 HydrophobicContact CG-CE 4.36Å; Q145-R149 VanDerWaalsContact O-CB 3.29Å; Q145-R149 WeakPolarHBondContact O-CB 3.42Å; Q145-R149 PolarHBondContact O-N 3.44Å
146Q94.8Very high89.1Confident86 Ų86101.6 Ų101.640%0.40253%0.529SS..Hα-helixtrans-68.7-40.8176.5-173.559.447.300112.3V142 E143 T144 R149 N150V142-Q146 WeakPolarHBondContact O-CB 3.4Å; V142-Q146 PolarHBondContact O-N 3.33Å; E143-Q146 PolarHBondContact O-N 3.34Å; T144-Q146 VanDerWaalsContact C-N 3.31Å; T144-Q146 PolarHBondContact O-N 2.92Å; Q146-R149 WeakPolarHBondContact O-CB 3.49Å; Q146-R149 PolarHBondContact O-N 3.21Å; Q146-N150 PolarHBondContact NE2-OD1 3.41Å; Q146-N150 PolarHBondContact O-N 2.65Å; Q146-N150 PolarHBondContact O-ND2 3.2Å; Q146-N150 PolarHBondContact O-OD1 2.91Å
147V94.6Very high87.6Confident71 Ų71102 Ų10243%0.4353%0.531SS..Hα-helixtrans-63.9-44.7174.4171.40000110.8E143 T144 R149 N150 L151E143-V147 WeakPolarHBondContact O-CG2 3.34Å; E143-V147 PolarHBondContact O-N 3.4Å; T144-V147 PolarHBondContact O-N 2.99Å; V147-R149 VanDerWaalsContact C-N 3.3Å; V147-R149 PolarHBondContact O-N 3.14Å; V147-N150 PolarHBondContact O-N 3.49Å; V147-N150 VanDerWaalsContact O-N 3.13Å; V147-L151 HydrophobicContact CG1-CD1 3.88Å; V147-L151 HydrophobicContact CG1-CG 4.38Å; V147-L151 WeakPolarHBondContact O-CG 3.48Å; V147-L151 PolarHBondContact O-N 3.28Å
148M91.2Very high86.3Confident106 Ų106103.4 Ų103.452%0.52253%0.531SS..Hα-helixtrans-59.8-39.9174.1-72.1-168.8-60.200112.2T144 Q145 N150 L151 N152T144-M148 HydrophobicContact CG2-CE 4.31Å; T144-M148 WeakPolarHBondContact O-CB 3.32Å; T144-M148 WeakPolarHBondContact O-CG 3.37Å; T144-M148 PolarHBondContact O-N 3.08Å; Q145-M148 HydrophobicContact CG-CE 4.36Å; M148-N150 VanDerWaalsContact C-N 3.32Å; M148-N150 PolarHBondContact O-N 2.58Å; M148-L151 PolarHBondContact O-N 2.85Å; M148-N152 PolarHBondContact O-N 3.01Å
149R88.9Confident85.3Confident144 Ų144103 Ų10354%0.54353%0.527SS..Hα-helixtrans-67.3-29.2175.4-167.2-171.4-131.9125.75.4113.3Q145 Q146 V147 N152 P153 P154Q145-R149 VanDerWaalsContact O-CB 3.29Å; Q145-R149 WeakPolarHBondContact O-CB 3.42Å; Q145-R149 PolarHBondContact O-N 3.44Å; Q146-R149 WeakPolarHBondContact O-CB 3.49Å; Q146-R149 PolarHBondContact O-N 3.21Å; V147-R149 VanDerWaalsContact C-N 3.3Å; V147-R149 PolarHBondContact O-N 3.14Å; R149-N152 CarbonylContact O-C 3.59Å; R149-N152 VanDerWaalsContact O-O 3.14Å; R149-P153 WeakPolarHBondContact O-CA 3.23Å; R149-P154 HydrophobicContact CG-CG 3.79Å
150N87.1Confident84.6Confident106 Ų10698.4 Ų98.457%0.56752%0.517SS*.Hα-helixtrans-77.6-36.4175.1-66.8-13.8000111.7Q146 V147 M148Q146-N150 PolarHBondContact NE2-OD1 3.41Å; Q146-N150 PolarHBondContact O-N 2.65Å; Q146-N150 PolarHBondContact O-ND2 3.2Å; Q146-N150 PolarHBondContact O-OD1 2.91Å; V147-N150 PolarHBondContact O-N 3.49Å; V147-N150 VanDerWaalsContact O-N 3.13Å; M148-N150 VanDerWaalsContact C-N 3.32Å; M148-N150 PolarHBondContact O-N 2.58Å
151L88.1Confident83.7Confident134 Ų13499.5 Ų99.570%0.70252%0.517SS*.Hα-helixtrans-79.9-38.7-179.4-68.4174000112.9V147 M148 P153V147-L151 HydrophobicContact CG1-CD1 3.88Å; V147-L151 HydrophobicContact CG1-CG 4.38Å; V147-L151 WeakPolarHBondContact O-CG 3.48Å; V147-L151 PolarHBondContact O-N 3.28Å; M148-L151 PolarHBondContact O-N 2.85Å; L151-P153 WeakPolarHBondContact O-CD 3.29Å
152N82.3Confident83.2Confident129 Ų129100.1 Ų100.169%0.6952%0.518SS*.SBendtrans-113.587.8165.4-70.4-61.1000107.9M148 R149 P154M148-N152 PolarHBondContact O-N 3.01Å; R149-N152 CarbonylContact O-C 3.59Å; R149-N152 VanDerWaalsContact O-O 3.14Å; N152-P154 VanDerWaalsContact O-CD 3.28Å; N152-P154 WeakPolarHBondContact O-CD 3.46Å; N152-P154 VanDerWaalsContact O-N 3.1Å
153P74.1Confident82.7Confident97 Ų97101.4 Ų101.463%0.6352%0.521SS*.  trans-51119.8167.8-24.534.1000108.4R149 L151 S155R149-P153 WeakPolarHBondContact O-CA 3.23Å; L151-P153 WeakPolarHBondContact O-CD 3.29Å; P153-S155 PolarHBondContact O-N 3.04Å
154P64.9Low82.3Confident79 Ų7998.9 Ų98.951%0.51352%0.518SS..  trans-60.2114.9170.2-1730000105.7R149 N152 S156R149-P154 HydrophobicContact CG-CG 3.79Å; N152-P154 VanDerWaalsContact O-CD 3.28Å; N152-P154 WeakPolarHBondContact O-CD 3.46Å; N152-P154 VanDerWaalsContact O-N 3.1Å; P154-S156 VanDerWaalsContact O-CA 3.28Å; P154-S156 WeakPolarHBondContact O-CA 3.44Å; P154-S156 PolarHBondContact O-N 3.43Å
155S63Low82Confident91 Ų9199 Ų9964%0.63652%0.521SS*.  trans-49.8104.8174.652.30000106.5P153 N157P153-S155 PolarHBondContact O-N 3.04Å; S155-N157 PolarHBondContact O-N 2.69Å
156S66Low82Confident25 Ų2598 Ų9818%0.17552%0.518CS..  trans-68.6141.8-153.670.30000108.5P154 W158 E159 V160P154-S156 VanDerWaalsContact O-CA 3.28Å; P154-S156 WeakPolarHBondContact O-CA 3.44Å; P154-S156 PolarHBondContact O-N 3.43Å; S156-W158 PolarHBondContact O-N 3.46Å; S156-W158 VanDerWaalsContact OG-CD1 3.27Å; S156-W158 PolarHBondContact OG-NE1 3.44Å; S156-E159 VanDerWaalsContact CB-OE2 3.27Å; S156-E159 WeakPolarHBondContact CB-OE2 3.33Å; S156-E159 PolarHBondContact N-OE2 3.31Å; S156-E159 VanDerWaalsContact N-OE2 3.17Å; S156-E159 WeakPolarHBondContact O-CA 3.47Å; S156-E159 WeakPolarHBondContact O-CB 3.4Å; S156-E159 PolarHBondContact O-N 2.86Å; S156-E159 WeakPolarHBondContact OG-CB 3.46Å; S156-E159 WeakPolarHBondContact OG-CG 3.3Å; S156-E159 PolarHBondContact OG-N 2.92Å; S156-E159 PolarHBondContact OG-OE2 3.36Å; S156-V160 PolarHBondContact O-N 2.92Å
157N66.1Low82.1Confident110 Ų110100.2 Ų100.259%0.58853%0.532SS*.Hα-helixtrans-57.4-34.6-169.5-165.260000111S155 V160 E161S155-N157 PolarHBondContact O-N 2.69Å; N157-V160 PolarHBondContact O-N 3.09Å; N157-E161 PolarHBondContact ND2-OE1 2.84Å; N157-E161 PolarHBondContact ND2-OE2 2.6Å; N157-E161 WeakPolarHBondContact O-CB 3.35Å; N157-E161 WeakPolarHBondContact O-CG 3.46Å; N157-E161 PolarHBondContact O-N 2.97Å
158W71.8Confident82.1Confident163 Ų163103.9 Ų103.962%0.61754%0.542SS*.Hα-helixtrans-69.4-31.5173.576.2-96.9000114.3S156 K162S156-W158 PolarHBondContact O-N 3.46Å; S156-W158 VanDerWaalsContact OG-CD1 3.27Å; S156-W158 PolarHBondContact OG-NE1 3.44Å; W158-K162 HydrophobicContact CZ3-CD 4.32Å; W158-K162 WeakPolarHBondContact O-CA 3.47Å; W158-K162 WeakPolarHBondContact O-CB 3.46Å; W158-K162 PolarHBondContact O-N 2.84Å
159E78.8Confident82.4Confident88 Ų88103 Ų10341%0.41154%0.539SS..Hα-helixtrans-70.8-40.9172.5-76.7164.114200111.5S156 K162 L163S156-E159 VanDerWaalsContact CB-OE2 3.27Å; S156-E159 WeakPolarHBondContact CB-OE2 3.33Å; S156-E159 PolarHBondContact N-OE2 3.31Å; S156-E159 VanDerWaalsContact N-OE2 3.17Å; S156-E159 WeakPolarHBondContact O-CA 3.47Å; S156-E159 WeakPolarHBondContact O-CB 3.4Å; S156-E159 PolarHBondContact O-N 2.86Å; S156-E159 WeakPolarHBondContact OG-CB 3.46Å; S156-E159 WeakPolarHBondContact OG-CG 3.3Å; S156-E159 PolarHBondContact OG-N 2.92Å; S156-E159 PolarHBondContact OG-OE2 3.36Å; E159-K162 PolarHBondContact O-N 2.82Å; E159-L163 WeakPolarHBondContact O-CB 3.31Å; E159-L163 VanDerWaalsContact O-CG 3.29Å; E159-L163 WeakPolarHBondContact O-CG 3.47Å; E159-L163 PolarHBondContact O-N 2.85Å
160V81.9Confident82.7Confident71 Ų71101.7 Ų101.743%0.4354%0.539SS..Hα-helixtrans-68.6-45.3178-179.10000110.6S156 N157 L163 S164S156-V160 PolarHBondContact O-N 2.92Å; N157-V160 PolarHBondContact O-N 3.09Å; V160-L163 PolarHBondContact O-N 3.01Å; V160-S164 WeakPolarHBondContact O-CB 3.44Å; V160-S164 PolarHBondContact O-N 3.35Å
161E81.2Confident83.1Confident106 Ų10698.3 Ų98.350%0.49553%0.529SS..Hα-helixtrans-62.8-42.1173.1-73.4169.4164.200111.3N157 S164 C165N157-E161 PolarHBondContact ND2-OE1 2.84Å; N157-E161 PolarHBondContact ND2-OE2 2.6Å; N157-E161 WeakPolarHBondContact O-CB 3.35Å; N157-E161 WeakPolarHBondContact O-CG 3.46Å; N157-E161 PolarHBondContact O-N 2.97Å; E161-S164 WeakPolarHBondContact O-CB 3.31Å; E161-S164 PolarHBondContact O-N 3.44Å; E161-C165 PolarHBondContact O-N 3.46Å; E161-C165 PolarHBondContact O-SG 3.48Å; E161-C165 VanDerWaalsContact O-SG 3.42Å
162K86.8Confident83.5Confident109 Ų10996.2 Ų96.247%0.47452%0.518SS..Hα-helixtrans-61-50.5175.3179.6-172.7172-164.60111.7W158 E159 S164 C165 D166W158-K162 HydrophobicContact CZ3-CD 4.32Å; W158-K162 WeakPolarHBondContact O-CA 3.47Å; W158-K162 WeakPolarHBondContact O-CB 3.46Å; W158-K162 PolarHBondContact O-N 2.84Å; E159-K162 PolarHBondContact O-N 2.82Å; K162-S164 PolarHBondContact O-N 3.11Å; K162-C165 CarbonylContact O-C 3.57Å; K162-C165 WeakPolarHBondContact O-CA 3.42Å; K162-C165 WeakPolarHBondContact O-CB 3.37Å; K162-C165 PolarHBondContact O-N 3.19Å; K162-D166 VanDerWaalsContact CE-OD2 3.25Å; K162-D166 WeakPolarHBondContact CE-OD2 3.22Å; K162-D166 WeakPolarHBondContact O-CB 3.42Å; K162-D166 VanDerWaalsContact O-CG 3.3Å; K162-D166 PolarHBondContact O-N 3.38Å
163L88Confident84.1Confident120 Ų12095.5 Ų95.563%0.62851%0.51SS*.Hα-helixtrans-61.9-33.1179.3-72.4169.2000111.9E159 V160 L167E159-L163 WeakPolarHBondContact O-CB 3.31Å; E159-L163 VanDerWaalsContact O-CG 3.29Å; E159-L163 WeakPolarHBondContact O-CG 3.47Å; E159-L163 PolarHBondContact O-N 2.85Å; V160-L163 PolarHBondContact O-N 3.01Å; L163-L167 VanDerWaalsContact O-CB 3.28Å; L163-L167 WeakPolarHBondContact O-CB 3.33Å; L163-L167 PolarHBondContact O-N 3.12Å
164S88.4Confident85.2Confident79 Ų7996.7 Ų96.755%0.55251%0.508SS*.Hα-helixtrans-66.3-42.3171.4-171.70000112.3V160 E161 K162 K168V160-S164 WeakPolarHBondContact O-CB 3.44Å; V160-S164 PolarHBondContact O-N 3.35Å; E161-S164 WeakPolarHBondContact O-CB 3.31Å; E161-S164 PolarHBondContact O-N 3.44Å; K162-S164 PolarHBondContact O-N 3.11Å; S164-K168 VanDerWaalsContact O-CB 3.32Å; S164-K168 WeakPolarHBondContact O-CB 3.24Å; S164-K168 PolarHBondContact O-N 2.91Å
165C89.9Confident86.6Confident74 Ų7498.8 Ų98.850%0.551%0.51SS..Hα-helixtrans-64.8-47.7173.2-75.20000112.6E161 K162 L167 K168 I169E161-C165 PolarHBondContact O-N 3.46Å; E161-C165 PolarHBondContact O-SG 3.48Å; E161-C165 VanDerWaalsContact O-SG 3.42Å; K162-C165 CarbonylContact O-C 3.57Å; K162-C165 WeakPolarHBondContact O-CA 3.42Å; K162-C165 WeakPolarHBondContact O-CB 3.37Å; K162-C165 PolarHBondContact O-N 3.19Å; C165-L167 VanDerWaalsContact C-N 3.35Å; C165-L167 PolarHBondContact O-N 3.49Å; C165-K168 CarbonylContact O-C 3.55Å; C165-K168 PolarHBondContact O-N 3.04Å; C165-K168 VanDerWaalsContact O-N 3.11Å; C165-I169 VanDerWaalsContact O-CG1 3.3Å; C165-I169 WeakPolarHBondContact O-CG1 3.3Å; C165-I169 PolarHBondContact O-N 2.93Å
166D94.7Very high88.2Confident71 Ų7198.4 Ų98.438%0.3850%0.501SS..Hα-helixtrans-59.9-44.3179.8-68.1-16.2000110.6K162 K168 I169 H170K162-D166 VanDerWaalsContact CE-OD2 3.25Å; K162-D166 WeakPolarHBondContact CE-OD2 3.22Å; K162-D166 WeakPolarHBondContact O-CB 3.42Å; K162-D166 VanDerWaalsContact O-CG 3.3Å; K162-D166 PolarHBondContact O-N 3.38Å; D166-K168 VanDerWaalsContact C-N 3.35Å; D166-K168 PolarHBondContact O-N 3.02Å; D166-I169 PolarHBondContact O-N 2.87Å; D166-H170 PolarHBondContact O-N 3.33Å
167L95.4Very high89.6Confident132 Ų132102 Ų10269%0.69152%0.515SS*.Hα-helixtrans-62.4-39.7174.2-178.263.8000112.3L163 C165 G171L163-L167 VanDerWaalsContact O-CB 3.28Å; L163-L167 WeakPolarHBondContact O-CB 3.33Å; L163-L167 PolarHBondContact O-N 3.12Å; C165-L167 VanDerWaalsContact C-N 3.35Å; C165-L167 PolarHBondContact O-N 3.49Å; L167-G171 PolarHBondContact O-N 3.26Å; L167-G171 VanDerWaalsContact O-N 3.08Å
168K96.4Very high91.1Very high148 Ų148101.5 Ų101.564%0.64351%0.511SS*.Hα-helixtrans-71.9-33.6178.6-171.4169.1-176.3173.80112.7S164 C165 D166 G171 L172S164-K168 VanDerWaalsContact O-CB 3.32Å; S164-K168 WeakPolarHBondContact O-CB 3.24Å; S164-K168 PolarHBondContact O-N 2.91Å; C165-K168 CarbonylContact O-C 3.55Å; C165-K168 PolarHBondContact O-N 3.04Å; C165-K168 VanDerWaalsContact O-N 3.11Å; D166-K168 VanDerWaalsContact C-N 3.35Å; D166-K168 PolarHBondContact O-N 3.02Å; K168-G171 PolarHBondContact O-N 2.97Å; K168-L172 HydrophobicContact CG-CD1 4.46Å; K168-L172 WeakPolarHBondContact O-CG 3.31Å; K168-L172 PolarHBondContact O-N 3.47Å; K168-L172 VanDerWaalsContact O-N 3.11Å
169I96.1Very high92.1Very high87 Ų8798.4 Ų98.445%0.44651%0.505SS..Hα-helixtrans-62.8-52.2172-71.5162.7000109.2C165 D166 G171 L172 E173C165-I169 VanDerWaalsContact O-CG1 3.3Å; C165-I169 WeakPolarHBondContact O-CG1 3.3Å; C165-I169 PolarHBondContact O-N 2.93Å; D166-I169 PolarHBondContact O-N 2.87Å; I169-G171 VanDerWaalsContact C-N 3.26Å; I169-G171 PolarHBondContact O-N 3.07Å; I169-L172 CarbonylContact O-C 3.36Å; I169-L172 PolarHBondContact O-N 3.12Å; I169-E173 HydrophobicContact CG2-CG 4.2Å; I169-E173 WeakPolarHBondContact O-CG 3.42Å; I169-E173 PolarHBondContact O-N 2.92Å
170H96.1Very high92.9Very high117 Ų117100.9 Ų100.954%0.54251%0.511SS..Hα-helixtrans-58-37.5178.3-174.7-68.8000112.7D166 E173 Q174D166-H170 PolarHBondContact O-N 3.33Å; H170-E173 PolarHBondContact O-N 3.34Å; H170-Q174 WeakPolarHBondContact O-CB 3.5Å; H170-Q174 PolarHBondContact O-N 3.5Å
171G95.7Very high93.6Very high35 Ų35103.5 Ų103.536%0.36152%0.516SS..Hα-helixtrans-61.9-45.5173.600000113.1L167 K168 I169 Q174 E175L167-G171 PolarHBondContact O-N 3.26Å; L167-G171 VanDerWaalsContact O-N 3.08Å; K168-G171 PolarHBondContact O-N 2.97Å; I169-G171 VanDerWaalsContact C-N 3.26Å; I169-G171 PolarHBondContact O-N 3.07Å; G171-Q174 PolarHBondContact O-N 2.92Å; G171-E175 PolarHBondContact O-N 3.43Å
172L95.7Very high94.2Very high89 Ų89103.9 Ų103.947%0.46652%0.518SS..Hα-helixtrans-69.6-33177-69.9168.8000112.6K168 I169 E175 L176K168-L172 HydrophobicContact CG-CD1 4.46Å; K168-L172 WeakPolarHBondContact O-CG 3.31Å; K168-L172 PolarHBondContact O-N 3.47Å; K168-L172 VanDerWaalsContact O-N 3.11Å; I169-L172 CarbonylContact O-C 3.36Å; I169-L172 PolarHBondContact O-N 3.12Å; L172-E175 PolarHBondContact O-N 3.25Å; L172-L176 VanDerWaalsContact O-CB 3.26Å; L172-L176 WeakPolarHBondContact O-CB 3.24Å; L172-L176 WeakPolarHBondContact O-CD1 3.36Å; L172-L176 VanDerWaalsContact O-CG 3.27Å; L172-L176 WeakPolarHBondContact O-CG 3.45Å; L172-L176 PolarHBondContact O-N 3.05Å
173E95.4Very high94.4Very high115 Ų115102.3 Ų102.354%0.53752%0.52SS..Hα-helixtrans-65.9-39.5173.3-72.2176.9147.100111.5I169 H170 L176 E177I169-E173 HydrophobicContact CG2-CG 4.2Å; I169-E173 WeakPolarHBondContact O-CG 3.42Å; I169-E173 PolarHBondContact O-N 2.92Å; H170-E173 PolarHBondContact O-N 3.34Å; E173-L176 PolarHBondContact O-N 3.39Å; E173-E177 PolarHBondContact O-N 3.38Å
174Q96.3Very high94.6Very high122 Ų12299.5 Ų99.557%0.5751%0.51SS*.Hα-helixtrans-67.4-41.4174.7-172.4173.521.300112.4H170 G171 E177 L178H170-Q174 WeakPolarHBondContact O-CB 3.5Å; H170-Q174 PolarHBondContact O-N 3.5Å; G171-Q174 PolarHBondContact O-N 2.92Å; Q174-E177 PolarHBondContact O-N 3.41Å; Q174-L178 PolarHBondContact O-N 3.27Å
175E95.6Very high94.9Very high123 Ų12399.5 Ų99.558%0.57550%0.504SS*.Hα-helixtrans-64.9-40.7173.8-173.2174.6-159.700111.7G171 L172 L178 M179G171-E175 PolarHBondContact O-N 3.43Å; L172-E175 PolarHBondContact O-N 3.25Å; E175-L178 PolarHBondContact O-N 2.89Å; E175-M179 WeakPolarHBondContact O-CB 3.24Å; E175-M179 PolarHBondContact O-N 3.47Å
176L95.6Very high95Very high82 Ų82101.2 Ų101.243%0.42951%0.508SS..Hα-helixtrans-62.1-40.6173.8-84.4165000112.6L172 E173 M179 R180L172-L176 VanDerWaalsContact O-CB 3.26Å; L172-L176 WeakPolarHBondContact O-CB 3.24Å; L172-L176 WeakPolarHBondContact O-CD1 3.36Å; L172-L176 VanDerWaalsContact O-CG 3.27Å; L172-L176 WeakPolarHBondContact O-CG 3.45Å; L172-L176 PolarHBondContact O-N 3.05Å; E173-L176 PolarHBondContact O-N 3.39Å; L176-M179 HydrophobicContact CD2-CE 3.82Å; L176-R180 WeakPolarHBondContact O-CB 3.33Å; L176-R180 PolarHBondContact O-N 3.08Å
177E96.3Very high94.8Very high100 Ų100104.6 Ų104.647%0.46752%0.519SS..Hα-helixtrans-71.3-37.2177.9-169.858.8-153.400111.9E173 Q174 R180 K181E173-E177 PolarHBondContact O-N 3.38Å; Q174-E177 PolarHBondContact O-N 3.41Å; E177-R180 PolarHBondContact O-N 2.92Å; E177-R180 WeakPolarHBondContact OE2-CD 3.24Å; E177-R180 IonicContact OE2-CZ 3.78Å; E177-R180 IonicContact OE2-NE 2.62Å; E177-R180 IonicContact OE2-NH1 3.14Å; E177-R180 PolarHBondContact OE2-NH1 3.47Å; E177-K181 WeakPolarHBondContact O-CB 3.12Å; E177-K181 PolarHBondContact O-N 3Å
178L96.3Very high94.6Very high100 Ų100102.4 Ų102.452%0.52451%0.507SS..Hα-helixtrans-58.2-54.6169.9-91.3162.7000111.5Q174 E175 R180 K181 E182Q174-L178 PolarHBondContact O-N 3.27Å; E175-L178 PolarHBondContact O-N 2.89Å; L178-R180 VanDerWaalsContact C-N 3.29Å; L178-R180 PolarHBondContact O-N 2.96Å; L178-K181 WeakPolarHBondContact O-CB 3.43Å; L178-K181 PolarHBondContact O-N 2.99Å; L178-K181 VanDerWaalsContact O-N 3.13Å; L178-E182 WeakPolarHBondContact O-CG 3.3Å; L178-E182 PolarHBondContact O-N 3.4Å
179M94.3Very high94.1Very high99 Ų99101.1 Ų101.149%0.48850%0.504SS..Hα-helixtrans-61.7-35.8177.8176.817247.200112.3E175 L176 E182 C183E175-M179 WeakPolarHBondContact O-CB 3.24Å; E175-M179 PolarHBondContact O-N 3.47Å; L176-M179 HydrophobicContact CD2-CE 3.82Å; M179-E182 PolarHBondContact O-N 2.86Å; M179-C183 VanDerWaalsContact O-CB 3.29Å; M179-C183 WeakPolarHBondContact O-CB 3.29Å; M179-C183 PolarHBondContact O-N 3.36Å; M179-C183 PolarHBondContact O-SG 3.17Å; M179-C183 VanDerWaalsContact O-SG 3.34Å
180R95.6Very high93.5Very high140 Ų140102.1 Ų102.153%0.52851%0.509SS..Hα-helixtrans-66.3-36.9175.8-175.8-177.6-61.4152.7-0.3111.9L176 E177 L178 S184L176-R180 WeakPolarHBondContact O-CB 3.33Å; L176-R180 PolarHBondContact O-N 3.08Å; E177-R180 PolarHBondContact O-N 2.92Å; E177-R180 WeakPolarHBondContact OE2-CD 3.24Å; E177-R180 IonicContact OE2-CZ 3.78Å; E177-R180 IonicContact OE2-NE 2.62Å; E177-R180 IonicContact OE2-NH1 3.14Å; E177-R180 PolarHBondContact OE2-NH1 3.47Å; L178-R180 VanDerWaalsContact C-N 3.29Å; L178-R180 PolarHBondContact O-N 2.96Å; R180-S184 WeakPolarHBondContact O-CB 3.37Å; R180-S184 PolarHBondContact O-N 3.22Å; R180-S184 VanDerWaalsContact O-N 3.14Å; R180-S184 PolarHBondContact O-OG 3.41Å
181K95.1Very high92.8Very high126 Ų126102.2 Ų102.255%0.54851%0.51SS..Hα-helixtrans-67.5-50171-172.8-169170.9-166.80111.2E177 L178 C183 S184 D185E177-K181 WeakPolarHBondContact O-CB 3.12Å; E177-K181 PolarHBondContact O-N 3Å; L178-K181 WeakPolarHBondContact O-CB 3.43Å; L178-K181 PolarHBondContact O-N 2.99Å; L178-K181 VanDerWaalsContact O-N 3.13Å; K181-C183 VanDerWaalsContact C-N 3.33Å; K181-C183 PolarHBondContact O-N 3.22Å; K181-S184 CarbonylContact O-C 3.55Å; K181-S184 WeakPolarHBondContact O-CA 3.19Å; K181-S184 VanDerWaalsContact O-CB 3.3Å; K181-S184 WeakPolarHBondContact O-CB 3.39Å; K181-S184 PolarHBondContact O-N 3.43Å; K181-D185 WeakPolarHBondContact CE-OD2 3.44Å; K181-D185 PolarHBondContact O-N 2.9Å
182E94.4Very high92Very high114 Ų114106.3 Ų106.353%0.53352%0.518SS..Hα-helixtrans-57.7-43.7177.4-71.4176.5177.400112L178 M179 S184 D185 L186L178-E182 WeakPolarHBondContact O-CG 3.3Å; L178-E182 PolarHBondContact O-N 3.4Å; M179-E182 PolarHBondContact O-N 2.86Å; E182-S184 PolarHBondContact O-N 3.19Å; E182-D185 PolarHBondContact O-N 3.48Å; E182-L186 VanDerWaalsContact O-CB 3.25Å; E182-L186 WeakPolarHBondContact O-CB 3.41Å; E182-L186 VanDerWaalsContact O-CG 3.27Å; E182-L186 WeakPolarHBondContact O-CG 3.47Å; E182-L186 PolarHBondContact O-N 3.43Å
183C90.2Very high90.9Very high76 Ų76104.6 Ų104.651%0.51452%0.517SS..Hα-helixtrans-61.7-30.1171.9-77.90000113.3M179 K181 K187M179-C183 VanDerWaalsContact O-CB 3.29Å; M179-C183 WeakPolarHBondContact O-CB 3.29Å; M179-C183 PolarHBondContact O-N 3.36Å; M179-C183 PolarHBondContact O-SG 3.17Å; M179-C183 VanDerWaalsContact O-SG 3.34Å; K181-C183 VanDerWaalsContact C-N 3.33Å; K181-C183 PolarHBondContact O-N 3.22Å; C183-K187 WeakPolarHBondContact O-CB 3.35Å; C183-K187 PolarHBondContact O-N 2.64Å
184S93.3Very high89.5Confident61 Ų61104.9 Ų104.943%0.42752%0.516SS..Hα-helixtrans-76.3-43.7176.5-59.60000111.5R180 K181 E182 K187 I188R180-S184 WeakPolarHBondContact O-CB 3.37Å; R180-S184 PolarHBondContact O-N 3.22Å; R180-S184 VanDerWaalsContact O-N 3.14Å; R180-S184 PolarHBondContact O-OG 3.41Å; K181-S184 CarbonylContact O-C 3.55Å; K181-S184 WeakPolarHBondContact O-CA 3.19Å; K181-S184 VanDerWaalsContact O-CB 3.3Å; K181-S184 WeakPolarHBondContact O-CB 3.39Å; K181-S184 PolarHBondContact O-N 3.43Å; E182-S184 PolarHBondContact O-N 3.19Å; S184-K187 PolarHBondContact O-N 3.1Å; S184-I188 VanDerWaalsContact O-CG1 3.32Å; S184-I188 WeakPolarHBondContact O-CG1 3.45Å; S184-I188 PolarHBondContact O-N 2.96Å
185D94Very high87.8Confident79 Ų79106.7 Ų106.742%0.42252%0.524SS..Hα-helixtrans-63.7-47.9175.7-68.5-29.5000110.4K181 E182 K187 I188 E189K181-D185 WeakPolarHBondContact CE-OD2 3.44Å; K181-D185 PolarHBondContact O-N 2.9Å; E182-D185 PolarHBondContact O-N 3.48Å; D185-K187 VanDerWaalsContact C-N 3.31Å; D185-K187 PolarHBondContact O-N 3.31Å; D185-I188 WeakPolarHBondContact O-CB 3.5Å; D185-I188 PolarHBondContact O-N 2.94Å; D185-I188 VanDerWaalsContact O-N 3.11Å; D185-E189 PolarHBondContact O-N 2.92Å
186L92.4Very high85.7Confident109 Ų109106.5 Ų106.557%0.57153%0.532SS*.Hα-helixtrans-61.2-34.6172.8-73.1170.7000112.9E182 E189 L190E182-L186 VanDerWaalsContact O-CB 3.25Å; E182-L186 WeakPolarHBondContact O-CB 3.41Å; E182-L186 VanDerWaalsContact O-CG 3.27Å; E182-L186 WeakPolarHBondContact O-CG 3.47Å; E182-L186 PolarHBondContact O-N 3.43Å; L186-E189 PolarHBondContact O-N 3.45Å; L186-L190 VanDerWaalsContact O-CB 3.31Å; L186-L190 WeakPolarHBondContact O-CB 3.21Å; L186-L190 PolarHBondContact O-N 3.24Å
187K90.8Very high83.5Confident143 Ų143108.3 Ų108.362%0.62254%0.542SS*.Hα-helixtrans-69.5-35.4174.5-179.8178.7178.3-176.60111.8C183 S184 D185 Q191C183-K187 WeakPolarHBondContact O-CB 3.35Å; C183-K187 PolarHBondContact O-N 2.64Å; S184-K187 PolarHBondContact O-N 3.1Å; D185-K187 VanDerWaalsContact C-N 3.31Å; D185-K187 PolarHBondContact O-N 3.31Å; K187-Q191 VanDerWaalsContact O-CB 3.3Å; K187-Q191 WeakPolarHBondContact O-CB 3.34Å; K187-Q191 PolarHBondContact O-N 3.14Å
188I90.3Very high81.3Confident86 Ų86108.2 Ų108.244%0.44155%0.55SS..Hα-helixtrans-66-40.2172.5-70.6162.4000110.1S184 D185 Q191 K192S184-I188 VanDerWaalsContact O-CG1 3.32Å; S184-I188 WeakPolarHBondContact O-CG1 3.45Å; S184-I188 PolarHBondContact O-N 2.96Å; D185-I188 WeakPolarHBondContact O-CB 3.5Å; D185-I188 PolarHBondContact O-N 2.94Å; D185-I188 VanDerWaalsContact O-N 3.11Å; I188-Q191 PolarHBondContact O-N 3.01Å; I188-K192 VanDerWaalsContact O-CG 3.32Å; I188-K192 WeakPolarHBondContact O-CG 3.38Å; I188-K192 PolarHBondContact O-N 3.34Å; I188-K192 VanDerWaalsContact O-N 3.08Å
189E87Confident79Confident121 Ų121113.5 Ų113.557%0.56557%0.565SS**Hα-helixtrans-67.1-44.2173-65.2-159.5142.500113D185 L186 Q191 K192 A193D185-E189 PolarHBondContact O-N 2.92Å; L186-E189 PolarHBondContact O-N 3.45Å; E189-Q191 VanDerWaalsContact C-N 3.26Å; E189-Q191 PolarHBondContact O-N 2.65Å; E189-K192 WeakPolarHBondContact O-CB 3.33Å; E189-K192 PolarHBondContact O-N 2.96Å; E189-K192 VanDerWaalsContact O-N 3.15Å; E189-A193 WeakPolarHBondContact O-CB 3.32Å; E189-A193 PolarHBondContact O-N 3.37Å
190L82.5Confident76.7Confident108 Ų108118.1 Ų118.157%0.56559%0.585SS**Hα-helixtrans-60-36.9174.4-170.178.3000111.7L186 A193 K194L186-L190 VanDerWaalsContact O-CB 3.31Å; L186-L190 WeakPolarHBondContact O-CB 3.21Å; L186-L190 PolarHBondContact O-N 3.24Å; L190-A193 PolarHBondContact O-N 2.92Å; L190-K194 WeakPolarHBondContact O-CB 3.38Å; L190-K194 PolarHBondContact O-N 3.47Å
191Q82.1Confident74Confident118 Ų118119.2 Ų119.255%0.55160%0.596SS**Hα-helixtrans-71-35.2176.8-173.1169.7-9.600112.3K187 I188 E189 Q195K187-Q191 VanDerWaalsContact O-CB 3.3Å; K187-Q191 WeakPolarHBondContact O-CB 3.34Å; K187-Q191 PolarHBondContact O-N 3.14Å; I188-Q191 PolarHBondContact O-N 3.01Å; E189-Q191 VanDerWaalsContact C-N 3.26Å; E189-Q191 PolarHBondContact O-N 2.65Å; Q191-Q195 WeakPolarHBondContact O-CG 3.29Å; Q191-Q195 PolarHBondContact O-N 3.09Å
192K78.5Confident71.5Confident121 Ų121120 Ų12053%0.52661%0.606SS.*Hα-helixtrans-63.8-43.7168.2-65.8163.5-171.5166.10110.7I188 E189 Q195 T196I188-K192 VanDerWaalsContact O-CG 3.32Å; I188-K192 WeakPolarHBondContact O-CG 3.38Å; I188-K192 PolarHBondContact O-N 3.34Å; I188-K192 VanDerWaalsContact O-N 3.08Å; E189-K192 WeakPolarHBondContact O-CB 3.33Å; E189-K192 PolarHBondContact O-N 2.96Å; E189-K192 VanDerWaalsContact O-N 3.15Å; K192-Q195 PolarHBondContact O-N 3.37Å; K192-T196 PolarHBondContact O-N 2.96Å; K192-T196 PolarHBondContact O-OG1 3.11Å
193A72.1Confident69.3Low54 Ų54121.7 Ų121.745%0.44662%0.619SS.*Hα-helixtrans-65.4-44179.600000112.8E189 L190 Q195 T196 D197E189-A193 WeakPolarHBondContact O-CB 3.32Å; E189-A193 PolarHBondContact O-N 3.37Å; L190-A193 PolarHBondContact O-N 2.92Å; A193-Q195 PolarHBondContact O-N 2.68Å; A193-T196 WeakPolarHBondContact O-CA 3.44Å; A193-T196 VanDerWaalsContact O-CB 3.29Å; A193-T196 WeakPolarHBondContact O-CB 3.49Å; A193-T196 PolarHBondContact O-N 3.5Å; A193-D197 PolarHBondContact O-N 3.33Å; A193-D197 VanDerWaalsContact O-N 3.12Å
194K66Low67.5Low120 Ų120125.4 Ų125.452%0.52263%0.633SS.*Hα-helixtrans-69.2-13.4174.8-85.6-164.2169-172.40114.4L190 T196 E201L190-K194 WeakPolarHBondContact O-CB 3.38Å; L190-K194 PolarHBondContact O-N 3.47Å; K194-T196 VanDerWaalsContact C-N 3.33Å; K194-E201 IonicContact NZ-OE2 3.69Å; K194-E201 PolarHBondContact NZ-OE2 3.34Å
195Q60.4Low65.4Low160 Ų160131.9 Ų131.975%0.74865%0.653SS**THydrogen-bonded Turntrans-84.6-8.9164.9-72.5-175.77.700113Q191 K192 A193Q191-Q195 WeakPolarHBondContact O-CG 3.29Å; Q191-Q195 PolarHBondContact O-N 3.09Å; K192-Q195 PolarHBondContact O-N 3.37Å; A193-Q195 PolarHBondContact O-N 2.68Å
196T51.7Low63.1Low120 Ų120133.6 Ų133.674%0.73667%0.672SS**THydrogen-bonded Turntrans-100.5-28.9-179.2-48.10000112.4K192 A193 K194K192-T196 PolarHBondContact O-N 2.96Å; K192-T196 PolarHBondContact O-OG1 3.11Å; A193-T196 WeakPolarHBondContact O-CA 3.44Å; A193-T196 VanDerWaalsContact O-CB 3.29Å; A193-T196 WeakPolarHBondContact O-CB 3.49Å; A193-T196 PolarHBondContact O-N 3.5Å; K194-T196 VanDerWaalsContact C-N 3.33Å
197D50Low61.1Low120 Ų120138.8 Ų138.864%0.64268%0.683SS**  trans-141.2113.1175.8-163.4-6.8000112.1A193A193-D197 PolarHBondContact O-N 3.33Å; A193-D197 VanDerWaalsContact O-N 3.12Å
198P49.6Very low59.4Low97 Ų97137.5 Ų137.563%0.6368%0.684SS**  trans-114.245.1-166.143-36.3000115.8
199Y48.1Very low57.7Low212 Ų212140.1 Ų140.183%0.83170%0.697SS**  trans-131.8153.2174.5-77-80.5000115.1
200Q47.5Very low56.2Low195 Ų195142.2 Ų142.291%0.91171%0.707SS**  trans70.889.9170.8-168.3174.198.900117.9
201E38.2Very low55Low163 Ų163145 Ų14576%0.76272%0.715SS**  trans-153.667.1156.3-159.6168.9-165.200112.6K194K194-E201 IonicContact NZ-OE2 3.69Å; K194-E201 PolarHBondContact NZ-OE2 3.34Å
202D43.3Very low53.7Low143 Ų143145.6 Ų145.677%0.76572%0.721SS**  trans-148.390.4167.7-171.323.4000113.6
203N46.8Very low52.7Low149 Ų149143.3 Ų143.380%0.79772%0.721SS**  trans179.3120.6145.8-112.8-87.4000110
204L53.1Low52.1Low154 Ų154146 Ų14681%0.80673%0.726SS**  trans-173.3-14.3161.6-111.9164.8000115.8S206L204-S206 PolarHBondContact O-N 3.13Å
205K48.3Very low52.1Low198 Ų198144.1 Ų144.186%0.86173%0.728SS**THydrogen-bonded Turntrans-68.79.1-166.8-66.5177.4178.21680117.6
206S46.9Very low52.5Low115 Ų115140 Ų14080%0.80472%0.717SS**THydrogen-bonded Turntrans-86.1-29.3-168.6-175.60000114.8L204L204-S206 PolarHBondContact O-N 3.13Å
207R49.9Very low53.6Low217 Ų217139.3 Ų139.382%0.81971%0.709SS**SBendtrans-88.3-26.8-157.4-156.4174.1-171.9-178.82.8116.2
208D54.7Low55Low117 Ų117138.9 Ų138.963%0.62671%0.706SS**SBendtrans-83.6-24-162.5-62-58.4000115.2Q210 K211 L212D208-Q210 PolarHBondContact O-N 3.36Å; D208-K211 PolarHBondContact O-N 2.99Å; D208-K211 VanDerWaalsContact O-N 3.14Å; D208-L212 PolarHBondContact O-N 3.48Å
209L55.8Low56.5Low140 Ų140141.3 Ų141.373%0.73371%0.711SS**Hα-helixtrans-64.7-34.8-173.5-65.9175.5000113.6K211L209-K211 VanDerWaalsContact C-N 3.34Å; L209-K211 PolarHBondContact O-N 3.13Å
210Q55.7Low58.2Low165 Ų165137 Ų13777%0.77170%0.699SS**Hα-helixtrans-68.3-31.9175.9-82.4-174.8-16.900113D208 L212D208-Q210 PolarHBondContact O-N 3.36Å; Q210-L212 VanDerWaalsContact C-N 3.32Å; Q210-L212 PolarHBondContact O-N 2.99Å
211K55.9Low60Low167 Ų167133.6 Ų133.673%0.72668%0.682SS**Hα-helixtrans-70.9-30.7-177.8-167.6178.5178.6-173.70111.9D208 L209D208-K211 PolarHBondContact O-N 2.99Å; D208-K211 VanDerWaalsContact O-N 3.14Å; L209-K211 VanDerWaalsContact C-N 3.34Å; L209-K211 PolarHBondContact O-N 3.13Å
212L56.5Low62.4Low131 Ų131128.6 Ų128.669%0.68667%0.669SS**Hα-helixtrans-71.1-40.1-178.7-161.568.5000112.4D208 Q210 I214 S215 S216D208-L212 PolarHBondContact O-N 3.48Å; Q210-L212 VanDerWaalsContact C-N 3.32Å; Q210-L212 PolarHBondContact O-N 2.99Å; L212-I214 PolarHBondContact O-N 2.89Å; L212-S215 WeakPolarHBondContact O-CB 3.42Å; L212-S215 PolarHBondContact O-N 2.96Å; L212-S216 PolarHBondContact O-N 3.28Å
213S55.8Low64.7Low73 Ų73128.7 Ų128.751%0.5166%0.66SS.*Hα-helixtrans-59.2-48.3-179.1-163.30000112.3S215 S216 D217S213-S215 PolarHBondContact O-N 3.34Å; S213-S216 WeakPolarHBondContact O-CB 3.48Å; S213-S216 PolarHBondContact O-N 2.91Å; S213-D217 PolarHBondContact O-N 3.29Å
214I60.2Low67Low110 Ų110129.5 Ų129.556%0.56465%0.652SS**Hα-helixtrans-62.9-30.2-177.8-57.4169.8000111.3L212 S216 N218L212-I214 PolarHBondContact O-N 2.89Å; I214-S216 VanDerWaalsContact C-N 3.33Å; I214-N218 PolarHBondContact O-ND2 3.23Å
215S66.6Low68.8Low80 Ų80126 Ų12656%0.55963%0.631SS**Hα-helixtrans-71-27.5176.8-164.50000113.2L212 S213L212-S215 WeakPolarHBondContact O-CB 3.42Å; L212-S215 PolarHBondContact O-N 2.96Å; S213-S215 PolarHBondContact O-N 3.34Å
216S68.9Low71Confident75 Ų75121.7 Ų121.752%0.52462%0.618SS.*Hα-helixtrans-72.8-49.3-179.6-173.30000111.4L212 S213 I214 N218 M219 Q220L212-S216 PolarHBondContact O-N 3.28Å; S213-S216 WeakPolarHBondContact O-CB 3.48Å; S213-S216 PolarHBondContact O-N 2.91Å; I214-S216 VanDerWaalsContact C-N 3.33Å; S216-N218 VanDerWaalsContact C-N 3.35Å; S216-N218 PolarHBondContact O-N 2.61Å; S216-M219 PolarHBondContact O-N 2.85Å; S216-M219 VanDerWaalsContact O-N 3.17Å; S216-Q220 PolarHBondContact O-N 3.12Å
217D73.9Confident73.3Confident105 Ų105121.6 Ų121.656%0.56160%0.603SS**Hα-helixtrans-64.4-39.6-175.7-63-33.9000112.1S213 M219 Q220 H221S213-D217 PolarHBondContact O-N 3.29Å; D217-M219 VanDerWaalsContact C-N 3.34Å; D217-M219 PolarHBondContact O-N 3.3Å; D217-Q220 PolarHBondContact O-N 3.08Å; D217-H221 WeakPolarHBondContact O-CB 3.31Å; D217-H221 PolarHBondContact O-N 2.84Å
218N78.8Confident75.4Confident110 Ų110116.9 Ų116.959%0.58859%0.585SS**Hα-helixtrans-61.4-40.3175.1-73.4-25.8000112.4I214 S216 H221 A222I214-N218 PolarHBondContact O-ND2 3.23Å; S216-N218 VanDerWaalsContact C-N 3.35Å; S216-N218 PolarHBondContact O-N 2.61Å; N218-H221 PolarHBondContact O-N 3.31Å; N218-A222 PolarHBondContact O-N 2.81Å; N218-A222 VanDerWaalsContact O-N 3.09Å
219M81.5Confident77.4Confident149 Ų149116.4 Ų116.473%0.73458%0.579SS**Hα-helixtrans-69.3-40.1177.8-168.1174-171.800111.4S216 D217 H221 A222 Y223S216-M219 PolarHBondContact O-N 2.85Å; S216-M219 VanDerWaalsContact O-N 3.17Å; D217-M219 VanDerWaalsContact C-N 3.34Å; D217-M219 PolarHBondContact O-N 3.3Å; M219-H221 VanDerWaalsContact C-N 3.32Å; M219-H221 PolarHBondContact O-N 2.83Å; M219-A222 PolarHBondContact O-N 3.05Å; M219-Y223 PolarHBondContact O-N 3.08Å; M219-Y223 VanDerWaalsContact O-N 3.1Å
220Q83.3Confident79.2Confident122 Ų122115.1 Ų115.157%0.5757%0.57SS**Hα-helixtrans-65.1-35.7176.5-161.471.3-9.200112.1S216 D217 W224S216-Q220 PolarHBondContact O-N 3.12Å; D217-Q220 PolarHBondContact O-N 3.08Å; Q220-W224 PolarHBondContact O-N 3.19Å
221H86.6Confident80.9Confident122 Ų122110.7 Ų110.757%0.56556%0.557SS**Hα-helixtrans-68.3-46175.1-16471.4000112D217 N218 M219 Y223 W224 E225D217-H221 WeakPolarHBondContact O-CB 3.31Å; D217-H221 PolarHBondContact O-N 2.84Å; N218-H221 PolarHBondContact O-N 3.31Å; M219-H221 VanDerWaalsContact C-N 3.32Å; M219-H221 PolarHBondContact O-N 2.83Å; H221-Y223 VanDerWaalsContact C-N 3.31Å; H221-Y223 PolarHBondContact O-N 3.06Å; H221-W224 WeakPolarHBondContact O-CB 3.46Å; H221-W224 PolarHBondContact O-N 3.07Å; H221-E225 WeakPolarHBondContact O-CG 3.27Å; H221-E225 PolarHBondContact O-N 3.08Å
222A87.3Confident82.8Confident59 Ų59106 Ų10649%0.48854%0.54SS..Hα-helixtrans-60.1-38177.200000112.8N218 M219 W224 E225 L226N218-A222 PolarHBondContact O-N 2.81Å; N218-A222 VanDerWaalsContact O-N 3.09Å; M219-A222 PolarHBondContact O-N 3.05Å; A222-W224 VanDerWaalsContact C-N 3.35Å; A222-E225 PolarHBondContact O-N 3.17Å; A222-L226 WeakPolarHBondContact O-CB 3.28Å; A222-L226 PolarHBondContact O-N 2.91Å
223Y93.1Very high84.6Confident145 Ų145104.3 Ų104.357%0.56953%0.531SS*.Hα-helixtrans-62.8-39.7173178.1-96.7000112.5M219 H221 K227M219-Y223 PolarHBondContact O-N 3.08Å; M219-Y223 VanDerWaalsContact O-N 3.1Å; H221-Y223 VanDerWaalsContact C-N 3.31Å; H221-Y223 PolarHBondContact O-N 3.06Å; Y223-K227 WeakPolarHBondContact O-CB 3.36Å; Y223-K227 PolarHBondContact O-N 2.91Å
224W93.9Very high86.5Confident165 Ų165107.2 Ų107.263%0.62554%0.537SS*.Hα-helixtrans-67-41.6176.3-111.5110.4000112.8Q220 H221 A222 K227 R228Q220-W224 PolarHBondContact O-N 3.19Å; H221-W224 WeakPolarHBondContact O-CB 3.46Å; H221-W224 PolarHBondContact O-N 3.07Å; A222-W224 VanDerWaalsContact C-N 3.35Å; W224-K227 PolarHBondContact O-N 3.3Å; W224-R228 PolarHBondContact O-N 3.27Å
225E92.1Very high88.1Confident80 Ų80106.9 Ų106.937%0.37454%0.536SS..Hα-helixtrans-60.4-47.2174.4-65.6-113.6106.500111.2H221 A222 K227 R228 E229H221-E225 WeakPolarHBondContact O-CG 3.27Å; H221-E225 PolarHBondContact O-N 3.08Å; A222-E225 PolarHBondContact O-N 3.17Å; E225-K227 PolarHBondContact O-N 3.08Å; E225-R228 VanDerWaalsContact CD-NH2 3.31Å; E225-R228 WeakPolarHBondContact O-CB 3.32Å; E225-R228 PolarHBondContact O-N 3.16Å; E225-R228 IonicContact OE1-CZ 2.71Å; E225-R228 IonicContact OE1-NH1 3.75Å; E225-R228 PolarHBondContact OE1-NH1 2.89Å; E225-R228 IonicContact OE1-NH2 2.58Å; E225-R228 PolarHBondContact OE1-NH2 2.89Å; E225-R228 IonicContact OE2-NH2 2.6Å; E225-E229 PolarHBondContact O-N 3.28Å
226L94.3Very high89.4Confident109 Ų109106.6 Ų106.657%0.57153%0.531SS*.Hα-helixtrans-61-42.4176.6179.361.6000112.1A222 R228 E229 M230A222-L226 WeakPolarHBondContact O-CB 3.28Å; A222-L226 PolarHBondContact O-N 2.91Å; L226-R228 PolarHBondContact O-N 3.43Å; L226-E229 PolarHBondContact O-N 3.32Å; L226-M230 HydrophobicContact CD1-CG 4.23Å; L226-M230 WeakPolarHBondContact O-CB 3.14Å; L226-M230 WeakPolarHBondContact O-CG 3.46Å; L226-M230 PolarHBondContact O-N 2.86Å
227K94.6Very high90.6Very high113 Ų113106.6 Ų106.649%0.49153%0.527SS..Hα-helixtrans-64.1-39177.6-173.9176.4-179.61790112.3Y223 W224 E225 S231Y223-K227 WeakPolarHBondContact O-CB 3.36Å; Y223-K227 PolarHBondContact O-N 2.91Å; W224-K227 PolarHBondContact O-N 3.3Å; E225-K227 PolarHBondContact O-N 3.08Å; K227-S231 PolarHBondContact O-N 2.76Å; K227-S231 PolarHBondContact O-OG 3.3Å
228R94.7Very high91.5Very high118 Ų118106.6 Ų106.645%0.44552%0.524SS..Hα-helixtrans-61.9-48.2172-177-172.668.4-136-3.7110.6W224 E225 L226 S231 N232W224-R228 PolarHBondContact O-N 3.27Å; E225-R228 VanDerWaalsContact CD-NH2 3.31Å; E225-R228 WeakPolarHBondContact O-CB 3.32Å; E225-R228 PolarHBondContact O-N 3.16Å; E225-R228 IonicContact OE1-CZ 2.71Å; E225-R228 IonicContact OE1-NH1 3.75Å; E225-R228 PolarHBondContact OE1-NH1 2.89Å; E225-R228 IonicContact OE1-NH2 2.58Å; E225-R228 PolarHBondContact OE1-NH2 2.89Å; E225-R228 IonicContact OE2-NH2 2.6Å; L226-R228 PolarHBondContact O-N 3.43Å; R228-S231 WeakPolarHBondContact O-CA 3.34Å; R228-S231 VanDerWaalsContact O-CB 3.32Å; R228-S231 WeakPolarHBondContact O-CB 3.34Å; R228-S231 PolarHBondContact O-N 3.46Å; R228-S231 VanDerWaalsContact O-N 3.09Å; R228-N232 PolarHBondContact O-N 2.83Å
229E94.9Very high92.3Very high106 Ų106105.7 Ų105.750%0.49552%0.522SS..Hα-helixtrans-71.5-35.7-174.3-158.855.6-151.700113.4E225 L226 S231 N232 L233E225-E229 PolarHBondContact O-N 3.28Å; L226-E229 PolarHBondContact O-N 3.32Å; E229-S231 PolarHBondContact O-N 3.42Å; E229-N232 WeakPolarHBondContact O-CB 3.36Å; E229-N232 PolarHBondContact O-N 3.17Å; E229-N232 PolarHBondContact OE2-ND2 2.88Å; E229-L233 WeakPolarHBondContact O-CB 3.46Å; E229-L233 PolarHBondContact O-N 2.83Å
230M93.5Very high92.8Very high113 Ų113103.9 Ų103.956%0.55751%0.512SS*.Hα-helixtrans-60.5-33.1169.1-73.2-62.1-62.500112.5L226 H234L226-M230 HydrophobicContact CD1-CG 4.23Å; L226-M230 WeakPolarHBondContact O-CB 3.14Å; L226-M230 WeakPolarHBondContact O-CG 3.46Å; L226-M230 PolarHBondContact O-N 2.86Å; M230-H234 WeakPolarHBondContact O-CB 3.21Å; M230-H234 PolarHBondContact O-N 3.13Å; M230-H234 VanDerWaalsContact O-N 3.11Å
231S93.3Very high93.1Very high72 Ų72100.2 Ų100.250%0.50350%0.503SS..Hα-helixtrans-72.9-41.4175.8-52.40000111.7K227 R228 E229 H234 L235K227-S231 PolarHBondContact O-N 2.76Å; K227-S231 PolarHBondContact O-OG 3.3Å; R228-S231 WeakPolarHBondContact O-CA 3.34Å; R228-S231 VanDerWaalsContact O-CB 3.32Å; R228-S231 WeakPolarHBondContact O-CB 3.34Å; R228-S231 PolarHBondContact O-N 3.46Å; R228-S231 VanDerWaalsContact O-N 3.09Å; E229-S231 PolarHBondContact O-N 3.42Å; S231-H234 PolarHBondContact O-N 3.2Å; S231-L235 PolarHBondContact O-N 3Å; S231-L235 VanDerWaalsContact O-N 3.15Å
232N93.9Very high93.3Very high69 Ų6997.6 Ų97.637%0.36949%0.491SS..Hα-helixtrans-59.1-48.8173-68.4-20.7000111.1R228 E229 H234 L235 V236R228-N232 PolarHBondContact O-N 2.83Å; E229-N232 WeakPolarHBondContact O-CB 3.36Å; E229-N232 PolarHBondContact O-N 3.17Å; E229-N232 PolarHBondContact OE2-ND2 2.88Å; N232-H234 PolarHBondContact O-N 2.73Å; N232-L235 PolarHBondContact O-N 2.93Å; N232-V236 WeakPolarHBondContact O-CG2 3.44Å; N232-V236 PolarHBondContact O-N 2.63Å
233L95.8Very high93.5Very high95 Ų9599.7 Ų99.750%0.49749%0.493SS..Hα-helixtrans-59.1-46178.8-179.660.5000111.4E229 L235 V236 T237E229-L233 WeakPolarHBondContact O-CB 3.46Å; E229-L233 PolarHBondContact O-N 2.83Å; L233-L235 VanDerWaalsContact C-N 3.34Å; L233-L235 PolarHBondContact O-N 3.24Å; L233-V236 PolarHBondContact O-N 3.15Å; L233-T237 PolarHBondContact O-N 3Å; L233-T237 PolarHBondContact O-OG1 2.77Å; L233-T237 VanDerWaalsContact O-OG1 3.08Å
234H94.4Very high93.3Very high135 Ų13598.4 Ų98.463%0.62550%0.496SS*.Hα-helixtrans-59.2-43.4177.8-16984.7000112.3M230 S231 N232 T237 Q238M230-H234 WeakPolarHBondContact O-CB 3.21Å; M230-H234 PolarHBondContact O-N 3.13Å; M230-H234 VanDerWaalsContact O-N 3.11Å; S231-H234 PolarHBondContact O-N 3.2Å; N232-H234 PolarHBondContact O-N 2.73Å; H234-T237 PolarHBondContact O-N 2.69Å; H234-Q238 WeakPolarHBondContact O-CB 3.49Å; H234-Q238 PolarHBondContact O-N 3.42Å
235L95.5Very high93Very high102 Ų10296.8 Ų96.853%0.53449%0.489SS..Hα-helixtrans-63.6-43176.2-179.562.6000112S231 N232 L233 Q238 V239S231-L235 PolarHBondContact O-N 3Å; S231-L235 VanDerWaalsContact O-N 3.15Å; N232-L235 PolarHBondContact O-N 2.93Å; L233-L235 VanDerWaalsContact C-N 3.34Å; L233-L235 PolarHBondContact O-N 3.24Å; L235-Q238 PolarHBondContact O-N 3.48Å; L235-V239 WeakPolarHBondContact O-CG2 3.36Å; L235-V239 PolarHBondContact O-N 3.04Å
236V93.3Very high92.6Very high75 Ų7599.5 Ų99.546%0.45550%0.5SS..Hα-helixtrans-63.8-44.6176.5171.90000111.2N232 L233 Q238 V239 Q240N232-V236 WeakPolarHBondContact O-CG2 3.44Å; N232-V236 PolarHBondContact O-N 2.63Å; L233-V236 PolarHBondContact O-N 3.15Å; V236-Q238 VanDerWaalsContact C-N 3.32Å; V236-Q238 PolarHBondContact O-N 3.5Å; V236-V239 PolarHBondContact O-N 3.44Å; V236-Q240 HydrophobicContact CG1-CG 4.45Å; V236-Q240 WeakPolarHBondContact O-CB 3.39Å; V236-Q240 WeakPolarHBondContact O-CG 3.34Å; V236-Q240 PolarHBondContact O-N 3.12Å
237T93.3Very high91.7Very high74 Ų7499 Ų9945%0.45450%0.497SS..Hα-helixtrans-61.5-39.3174.9-58.50000111.7L233 H234 Q240 A241L233-T237 PolarHBondContact O-N 3Å; L233-T237 PolarHBondContact O-OG1 2.77Å; L233-T237 VanDerWaalsContact O-OG1 3.08Å; H234-T237 PolarHBondContact O-N 2.69Å; T237-Q240 PolarHBondContact O-N 2.9Å; T237-A241 WeakPolarHBondContact O-CB 3.33Å; T237-A241 PolarHBondContact O-N 3.48Å
238Q94.1Very high90.7Very high106 Ų106101.6 Ų101.650%0.49551%0.509SS..Hα-helixtrans-62.9-46.4175.1-171.8-1807.600111.7H234 L235 V236 Q240 A241 E242H234-Q238 WeakPolarHBondContact O-CB 3.49Å; H234-Q238 PolarHBondContact O-N 3.42Å; L235-Q238 PolarHBondContact O-N 3.48Å; V236-Q238 VanDerWaalsContact C-N 3.32Å; V236-Q238 PolarHBondContact O-N 3.5Å; Q238-Q240 PolarHBondContact O-N 3.37Å; Q238-A241 PolarHBondContact O-N 3.49Å; Q238-E242 WeakPolarHBondContact O-CG 3.45Å; Q238-E242 PolarHBondContact O-N 2.83Å
239V94.4Very high89.2Confident91 Ų9199.4 Ų99.455%0.55251%0.508SS*.Hα-helixtrans-64.1-38.6177.21720000111.8L235 V236 E242 L243L235-V239 WeakPolarHBondContact O-CG2 3.36Å; L235-V239 PolarHBondContact O-N 3.04Å; V236-V239 PolarHBondContact O-N 3.44Å; V239-E242 PolarHBondContact O-N 2.88Å; V239-L243 WeakPolarHBondContact O-CB 3.29Å; V239-L243 PolarHBondContact O-N 2.9Å
240Q91.6Very high87.4Confident110 Ų11098.1 Ų98.151%0.51451%0.511SS..Hα-helixtrans-64.8-41.2173.4-73.4173.8-13.500111.9V236 T237 Q238 L243 L244V236-Q240 HydrophobicContact CG1-CG 4.45Å; V236-Q240 WeakPolarHBondContact O-CB 3.39Å; V236-Q240 WeakPolarHBondContact O-CG 3.34Å; V236-Q240 PolarHBondContact O-N 3.12Å; T237-Q240 PolarHBondContact O-N 2.9Å; Q238-Q240 PolarHBondContact O-N 3.37Å; Q240-L243 PolarHBondContact O-N 3.13Å; Q240-L244 WeakPolarHBondContact O-CB 3.29Å; Q240-L244 WeakPolarHBondContact O-CG 3.35Å; Q240-L244 PolarHBondContact O-N 3.2Å
241A90.4Very high85.6Confident46 Ų4697.7 Ų97.738%0.3852%0.515SS..Hα-helixtrans-65.7-39.1175.600000112.5T237 Q238 R245T237-A241 WeakPolarHBondContact O-CB 3.33Å; T237-A241 PolarHBondContact O-N 3.48Å; Q238-A241 PolarHBondContact O-N 3.49Å; A241-R245 WeakPolarHBondContact O-CB 3.35Å; A241-R245 PolarHBondContact O-N 3.3Å
242E91Very high83.5Confident66 Ų6697.1 Ų97.131%0.30852%0.515SS..Hα-helixtrans-59.8-46.4170.7-75.2-58.813400111.8Q238 V239 R245 K246Q238-E242 WeakPolarHBondContact O-CG 3.45Å; Q238-E242 PolarHBondContact O-N 2.83Å; V239-E242 PolarHBondContact O-N 2.88Å; E242-R245 PolarHBondContact O-N 3.45Å; E242-R245 IonicContact OE1-CZ 2.69Å; E242-R245 IonicContact OE1-NH1 2.63Å; E242-R245 PolarHBondContact OE1-NH1 3.37Å; E242-R245 IonicContact OE1-NH2 2.7Å; E242-R245 PolarHBondContact OE1-NH2 3.46Å; E242-R245 IonicContact OE2-CZ 2.76Å; E242-R245 IonicContact OE2-NH1 3.15Å; E242-R245 PolarHBondContact OE2-NH1 3.29Å; E242-R245 IonicContact OE2-NH2 3.59Å; E242-K246 WeakPolarHBondContact O-CG 3.48Å; E242-K246 PolarHBondContact O-N 3.41Å
243L90.9Very high81.5Confident104 Ų104100.4 Ų100.455%0.54553%0.531SS..Hα-helixtrans-62.9-47.3178.6-179.362.5000111.6V239 Q240 R245 K246 L247V239-L243 WeakPolarHBondContact O-CB 3.29Å; V239-L243 PolarHBondContact O-N 2.9Å; Q240-L243 PolarHBondContact O-N 3.13Å; L243-R245 VanDerWaalsContact C-N 3.3Å; L243-R245 PolarHBondContact O-N 2.8Å; L243-K246 PolarHBondContact O-N 2.96Å; L243-L247 HydrophobicContact CD1-CD1 4.48Å; L243-L247 HydrophobicContact CG-CD1 4.2Å; L243-L247 WeakPolarHBondContact O-CG 3.06Å; L243-L247 PolarHBondContact O-N 2.96Å
244L88.6Confident79.4Confident118 Ų118105.1 Ų105.162%0.61855%0.547SS*.Hα-helixtrans-61.1-38.1176-72.7170.7000111.9Q240 K248Q240-L244 WeakPolarHBondContact O-CB 3.29Å; Q240-L244 WeakPolarHBondContact O-CG 3.35Å; Q240-L244 PolarHBondContact O-N 3.2Å; L244-K248 WeakPolarHBondContact O-CB 3.35Å; L244-K248 PolarHBondContact O-N 3.47Å
245R88.5Confident77.2Confident130 Ų130107.7 Ų107.749%0.49156%0.557SS.*Hα-helixtrans-65.4-45.6175-154.9-171.7-46.3114.47.3111.3A241 E242 L243 L247 K248 T249A241-R245 WeakPolarHBondContact O-CB 3.35Å; A241-R245 PolarHBondContact O-N 3.3Å; E242-R245 PolarHBondContact O-N 3.45Å; E242-R245 IonicContact OE1-CZ 2.69Å; E242-R245 IonicContact OE1-NH1 2.63Å; E242-R245 PolarHBondContact OE1-NH1 3.37Å; E242-R245 IonicContact OE1-NH2 2.7Å; E242-R245 PolarHBondContact OE1-NH2 3.46Å; E242-R245 IonicContact OE2-CZ 2.76Å; E242-R245 IonicContact OE2-NH1 3.15Å; E242-R245 PolarHBondContact OE2-NH1 3.29Å; E242-R245 IonicContact OE2-NH2 3.59Å; L243-R245 VanDerWaalsContact C-N 3.3Å; L243-R245 PolarHBondContact O-N 2.8Å; R245-L247 PolarHBondContact O-N 3.24Å; R245-K248 PolarHBondContact O-N 3.25Å; R245-T249 PolarHBondContact O-N 2.9Å; R245-T249 PolarHBondContact O-OG1 2.94Å; R245-T249 VanDerWaalsContact O-OG1 3.12Å
246K83.4Confident74.5Confident137 Ų137107.4 Ų107.460%0.59657%0.569SS**Hα-helixtrans-61.9-40.5177.5-74.3175.5-178.4179.10112.5E242 L243 T249 S250E242-K246 WeakPolarHBondContact O-CG 3.48Å; E242-K246 PolarHBondContact O-N 3.41Å; L243-K246 PolarHBondContact O-N 2.96Å; K246-T249 WeakPolarHBondContact CA-OG1 3.32Å; K246-T249 PolarHBondContact O-OG1 3.48Å; K246-S250 WeakPolarHBondContact O-CB 3.11Å; K246-S250 PolarHBondContact O-N 3.01Å
247L75.4Confident71.6Confident99 Ų99110 Ų11052%0.51859%0.589SS.*Hα-helixtrans-63-46.8172.3-71.4168.9000111.2L243 R245 T249 S250 T251L243-L247 HydrophobicContact CD1-CD1 4.48Å; L243-L247 HydrophobicContact CG-CD1 4.2Å; L243-L247 WeakPolarHBondContact O-CG 3.06Å; L243-L247 PolarHBondContact O-N 2.96Å; R245-L247 PolarHBondContact O-N 3.24Å; L247-T249 PolarHBondContact O-N 3.36Å; L247-S250 WeakPolarHBondContact O-CB 3.14Å; L247-S250 PolarHBondContact O-N 3.33Å; L247-T251 PolarHBondContact O-N 2.86Å; L247-T251 PolarHBondContact O-OG1 2.9Å
248K72.9Confident68.8Low168 Ų168110.4 Ų110.473%0.7360%0.6SS**Hα-helixtrans-62.5-39.2178.4-168171.2-176.9176.10112.6L244 R245 A252L244-K248 WeakPolarHBondContact O-CB 3.35Å; L244-K248 PolarHBondContact O-N 3.47Å; R245-K248 PolarHBondContact O-N 3.25Å; K248-A252 WeakPolarHBondContact O-CB 3.46Å; K248-A252 PolarHBondContact O-N 3.41Å
249T64.3Low66.5Low72 Ų72110.9 Ų110.944%0.44261%0.612SS.*Hα-helixtrans-70.1-37.5174.149.70000112.7R245 K246 L247 T251 A252 I253R245-T249 PolarHBondContact O-N 2.9Å; R245-T249 PolarHBondContact O-OG1 2.94Å; R245-T249 VanDerWaalsContact O-OG1 3.12Å; K246-T249 WeakPolarHBondContact CA-OG1 3.32Å; K246-T249 PolarHBondContact O-OG1 3.48Å; L247-T249 PolarHBondContact O-N 3.36Å; T249-T251 VanDerWaalsContact C-N 3.31Å; T249-T251 PolarHBondContact O-N 3.46Å; T249-A252 PolarHBondContact O-N 2.7Å; T249-A252 VanDerWaalsContact O-N 3.14Å; T249-I253 VanDerWaalsContact O-CG1 3.31Å; T249-I253 WeakPolarHBondContact O-CG1 3.16Å; T249-I253 PolarHBondContact O-N 2.63Å
250S57.1Low63.7Low79 Ų79113.2 Ų113.255%0.55263%0.626SS**Hα-helixtrans-60.8-41175.2-170.70000111.7K246 L247K246-S250 WeakPolarHBondContact O-CB 3.11Å; K246-S250 PolarHBondContact O-N 3.01Å; L247-S250 WeakPolarHBondContact O-CB 3.14Å; L247-S250 PolarHBondContact O-N 3.33Å
251T54.6Low60.9Low103 Ų103111.6 Ų111.663%0.63264%0.639SS**Hα-helixtrans-68.3-36.8172.7-57.80000112.7L247 T249 K254L247-T251 PolarHBondContact O-N 2.86Å; L247-T251 PolarHBondContact O-OG1 2.9Å; T249-T251 VanDerWaalsContact C-N 3.31Å; T249-T251 PolarHBondContact O-N 3.46Å; T251-K254 PolarHBondContact O-N 2.7Å
252A51Low58Low61 Ų61116.1 Ų116.150%0.50467%0.667SS.*Hα-helixtrans-67.7-35.9178.600000113.1K248 T249 K254 K255K248-A252 WeakPolarHBondContact O-CB 3.46Å; K248-A252 PolarHBondContact O-N 3.41Å; T249-A252 PolarHBondContact O-N 2.7Å; T249-A252 VanDerWaalsContact O-N 3.14Å; A252-K254 PolarHBondContact O-N 2.98Å; A252-K254 VanDerWaalsContact O-N 3.14Å; A252-K255 PolarHBondContact O-N 2.94Å
253I50.2Low55.4Low138 Ų138117.8 Ų117.871%0.70869%0.685SS**Hα-helixtrans-63.1-19.6178-69.7162.3000112.1T249T249-I253 VanDerWaalsContact O-CG1 3.31Å; T249-I253 WeakPolarHBondContact O-CG1 3.16Å; T249-I253 PolarHBondContact O-N 2.63Å
254K51.6Low52.9Low194 Ų194120.8 Ų120.884%0.84370%0.697SS**THydrogen-bonded Turntrans-872.8171.4-71.5-166.5173.7-1710115.1T251 A252T251-K254 PolarHBondContact O-N 2.7Å; A252-K254 PolarHBondContact O-N 2.98Å; A252-K254 VanDerWaalsContact O-N 3.14Å
255K49.5Very low50.6Low189 Ų189121.6 Ų121.682%0.82270%0.702SS**  trans-119.668.5175.6-75.9-159171.1-1680112.2A252A252-K255 PolarHBondContact O-N 2.94Å
256A37.8Very low48.3Very low96 Ų96123.2 Ų123.279%0.79372%0.719SS**  trans-133.238.6174.800000113
257C34Very low46.2Very low129 Ų129119.4 Ų119.487%0.87272%0.718SS**SBendtrans-153.7159.2158.7-154.20000109.9
258A34.2Very low44.9Very low83 Ų83126 Ų12669%0.68674%0.736SS**  trans-136.9-177.7-174.900000109.8
259P46Very low43.1Very low115 Ų115125.5 Ų125.575%0.74774%0.742SS**  -122-171.7-58.232.5-16.8000111.8
260V34.8Very low41.8Very low141 Ų141127.6 Ų127.686%0.85576%0.759SS**  trans7896.1168.1-168.30000117.5
261G31.9Very low41Very low76 Ų76130.3 Ų130.378%0.78477%0.772SS**  6696.8122.500000121.2
262C29.9Very low40.4Very low141 Ų141133.4 Ų133.495%0.95378%0.777SS**  -155.5168.2125.1-142.60000110.6
263S36.8Very low39.7Very low100 Ų100138.8 Ų138.870%0.69980%0.797SS**  trans-92.5-179.4-173.2-120.40000113.9
264E39.1Very low39Very low168 Ų168140 Ų14079%0.78580%0.799SS**  trans-21.7131.1171.6-74.280.817100115.2
265D39.9Very low38.2Very low135 Ų135137.9 Ų137.972%0.72280%0.796SS**  -164.1135.268.7174.833.3000112.6
266L39.5Very low37.4Very low164 Ų164136.1 Ų136.186%0.85979%0.793SS**  -168.4119.7125.9-137.269000111.3
267G39.2Very low37.2Very low56 Ų56137.2 Ų137.258%0.57779%0.785SS**  trans-82159.6171.300000113.7
268R49.8Very low37.4Very low238 Ų238140.5 Ų140.590%0.89879%0.785SS**  trans71.294.2174.7-50.3171.9-170.8-100.1-2.2115.7
269D35Very low37.4Very low158 Ų158141.8 Ų141.885%0.84579%0.785SS**  -173.9100.1111.6-96.9-8.6000111.2
270S36.3Very low36.9Very low115 Ų115141 Ų14180%0.80479%0.788SS**  trans-143.211.3-175.856.70000114.3
271T39.6Very low36.8Very low136 Ų136140.5 Ų140.583%0.83479%0.785SS**  trans-101.432.8-171.645.40000114.4
272K41.4Very low36.8Very low168 Ų168147.5 Ų147.573%0.7379%0.79SS**  trans-148.763.9173-146.9171.1-170.6176.40116.5
273L37.8Very low37Very low175 Ų175146.3 Ų146.392%0.91678%0.778SS**  trans-113.3106.4155.6-71.3177.6000109.2L275L273-L275 PolarHBondContact O-N 2.8Å
274H35.3Very low36.9Very low164 Ų164152.5 Ų152.576%0.75979%0.786SS**  trans-72.9106.5175.8-76.7-96.3000109.9M276H274-M276 PolarHBondContact O-N 3.44Å; H274-M276 VanDerWaalsContact O-N 3.09Å
275L34.5Very low37Very low148 Ų148152.4 Ų152.478%0.77579%0.785SS**  trans-71.598.8170.9-176.265.7000109.4L273 N277L273-L275 PolarHBondContact O-N 2.8Å; L275-N277 PolarHBondContact O-N 2.9Å; L275-N277 VanDerWaalsContact O-N 3.08Å
276M32.1Very low36.9Very low153 Ų153151.6 Ų151.675%0.75479%0.787SS**  trans-73.896.1176-165.494.779.900109.6H274 F278H274-M276 PolarHBondContact O-N 3.44Å; H274-M276 VanDerWaalsContact O-N 3.09Å; M276-F278 HydrophobicContact CB-CE2 4.42Å; M276-F278 HydrophobicContact CG-CE2 4.05Å; M276-F278 HydrophobicContact CG-CZ 4.38Å; M276-F278 PolarHBondContact O-N 2.54Å
277N33.3Very low37Very low119 Ų119149.7 Ų149.764%0.63678%0.784SS**  trans-68.5100.4-179.7-75.4-21.1000111.8L275 T279L275-N277 PolarHBondContact O-N 2.9Å; L275-N277 VanDerWaalsContact O-N 3.08Å; N277-T279 PolarHBondContact O-N 2.99Å
278F38Very low36.8Very low197 Ų197155.7 Ų155.786%0.86480%0.803SS**  trans-78.871.5165.2-73.9-80.3000110.8M276M276-F278 HydrophobicContact CB-CE2 4.42Å; M276-F278 HydrophobicContact CG-CE2 4.05Å; M276-F278 HydrophobicContact CG-CZ 4.38Å; M276-F278 PolarHBondContact O-N 2.54Å
279T35.9Very low36.2Very low111 Ų111149.1 Ų149.168%0.68179%0.793SS**  trans-84.3120.7174.2-490000110N277 T281N277-T279 PolarHBondContact O-N 2.99Å; T279-T281 PolarHBondContact O-N 3.19Å
280A34.1Very low36.4Very low98 Ų98147.4 Ų147.481%0.8179%0.79SS**  trans-68.4116.817500000110.9Y282A280-Y282 PolarHBondContact O-N 2.9Å
281T32.3Very low35.9Very low131 Ų131149.5 Ų149.580%0.80479%0.793SS**  trans-78.5100.9-179.9500000111.4T279 T283T279-T281 PolarHBondContact O-N 3.19Å; T281-T283 PolarHBondContact O-N 2.95Å
282Y33.8Very low35.4Very low223 Ų223146.2 Ų146.288%0.87579%0.786SS**  trans-81.7109.4174.8-153.2-80.5000110.9A280 R284A280-Y282 PolarHBondContact O-N 2.9Å; Y282-R284 PolarHBondContact O-N 3.38Å; Y282-R284 VanDerWaalsContact O-N 3.14Å
283T32.8Very low35.1Very low115 Ų115147.7 Ų147.771%0.70679%0.792SS**  trans-76.698.4-179.7490000111.6T281T281-T283 PolarHBondContact O-N 2.95Å
284R35.8Very low34.7Very low231 Ų231144.1 Ų144.187%0.87279%0.788SS**PPolyproline II helixtrans-82.3120.2170.7-176.7-172.8-72.1179.6-3.4110.2Y282Y282-R284 PolarHBondContact O-N 3.38Å; Y282-R284 VanDerWaalsContact O-N 3.14Å
285H40.9Very low34.3Very low166 Ų166143.3 Ų143.377%0.76979%0.789SS**PPolyproline II helixtrans-70145.8171.5-76.7-85.7000111.9
286P37.1Very low34.2Very low118 Ų118141.3 Ų141.377%0.76679%0.785SS**PPolyproline II helixtrans-69.9153.6177.3-19.933.6000113.9
287P41.5Very low34.1Very low123 Ų123141.7 Ų141.780%0.79979%0.785SS**PPolyproline II helixtrans-88.4154.9-17735.7-35.6000113.8
288L35.4Very low33.9Very low183 Ų183142.3 Ų142.396%0.95879%0.794SS**PPolyproline II helixtrans-87.2127.7162-81.3162.9000109.9
289S37.8Very low33.5Very low100 Ų100137.5 Ų137.570%0.69979%0.79SS**  trans-147.1132.3171.3-1780000110.3
290P37.9Very low33.2Very low121 Ų121137.8 Ų137.879%0.78680%0.796SS**  trans-88.6131.3172.933.1-30.3000112.3
291N27.5Very low33.1Very low160 Ų160138.1 Ų138.186%0.85679%0.793SS**  trans74.4138.4165.3-156.43.8000116.4
292G28.9Very low33.6Very low67 Ų67137.6 Ų137.669%0.69179%0.792SS**  trans159.1-2.717500000123.9
293K34Very low33.5Very low199 Ų199134.9 Ų134.987%0.86579%0.791SS**  trans60.3100.4166.3-55178.1-178.4177.90120.8
294A28.9Very low34.7Very low100 Ų100135.4 Ų135.483%0.82680%0.797SS**  70.4149.5128.100000125.5
295L28.1Very low34.5Very low147 Ų147127.9 Ų127.977%0.7779%0.791SS**  trans75.7101.3159-12961.8000118
296C31.8Very low34Very low105 Ų105127 Ų12771%0.70979%0.792SS**  69.7137.979.7-59.10000114.1
297H30.3Very low33.8Very low161 Ų161127.4 Ų127.475%0.74579%0.786SS**  cis-156.8163.348.5-81.6-91.5000116.8
298T29.7Very low33.2Very low133 Ų133130.8 Ų130.882%0.81679%0.789SS**  trans-17157.4157.639.30000121.4
299A28.4Very low33Very low95 Ų95127.8 Ų127.879%0.78578%0.778SS**  cis-156-148.30.900000110
300S29.8Very low32.5Very low117 Ų117130.8 Ų130.882%0.81879%0.785SS**  cis-160.7-148.510.666.40000113.9
301S31.3Very low32Very low106 Ų106129.9 Ų129.974%0.74178%0.782SS**  trans-155.6178.7179.9-134.40000109.9
302P44.1Very low32.1Very low120 Ų120129.1 Ų129.178%0.77977%0.773SS**  cis-145.7-163.340.442.1-18.9000117.7
303L30.7Very low32.4Very low165 Ų165133.9 Ų133.986%0.86478%0.775SS**  trans-121.9176.1-176.1-109.985.9000114.7
304P59Low33Very low126 Ų126129.7 Ų129.782%0.81877%0.768SS**  trans-122.7-170.8-164.546.1-36.5000118
305G31Very low32.9Very low73 Ų73131.8 Ų131.875%0.75377%0.77SS**  trans175.4170.8166.200000113
306D30.9Very low33Very low149 Ų149132.1 Ų132.180%0.79777%0.772SS**  cis-164151.5-15.4-149.415.2000116.5
307I32.4Very low32.9Very low125 Ų125135.8 Ų135.864%0.64178%0.778SS**  trans21.7131.3161.7-68.8158000126.8V309I307-V309 HydrophobicContact CG2-CG2 4.44Å
308K28.3Very low32.7Very low195 Ų195132.8 Ų132.885%0.84878%0.776SS**  trans-179155.4131.8-98.1150.6-170.9171.50113.3
309V31.5Very low32.5Very low119 Ų119138.5 Ų138.572%0.72178%0.782SS**  cis94.3126.34.9-179.30000114.8I307I307-V309 HydrophobicContact CG2-CG2 4.44Å
310L28.5Very low32.6Very low163 Ų163139.9 Ų139.985%0.85378%0.781SS**  cis-158.2-172.612.3-160.745.7000114.5
311S27.6Very low32.5Very low103 Ų103140.8 Ų140.872%0.7278%0.777SS**  trans87.9123.8166.4-145.80000117.8
312E28Very low32.2Very low143 Ų143144 Ų14467%0.66879%0.785SS**  cis74.7138.931.1-63.9-141.4116.200115.5
313K35.5Very low31.6Very low168 Ų168147.1 Ų147.173%0.7379%0.79SS**  cis-176.3-160.2-20.4-127.5-169.3-157.5141.30108.1
314P47.2Very low31.7Very low110 Ų110150.8 Ų150.871%0.71479%0.792SS**  -116.4-172.9-88.340.4-21.1000115.4
315V26Very low30.2Very low144 Ų144150 Ų15087%0.87379%0.79SS**  trans-167.9161.9139.5138.10000109.5
316L31.7Very low30.2Very low155 Ų155154 Ų15481%0.81279%0.792SS**  trans-135.2178.3-170-87.4168.4000113.1
317Q28.4Very low30Very low182 Ų182152.3 Ų152.385%0.8579%0.792SS**  trans75.6148.6167.3-67.2172.8-90.400117.1
318S27.3Very low29.9Very low98 Ų98153.2 Ų153.269%0.68580%0.798SS**  cis-164.1159.2-18.143.70000110.7
319W25.9Very low29.8Very low253 Ų253152.1 Ų152.196%0.95880%0.801SS**  trans-93.8144.7172.5-74.249.4000111.7
320T30.4Very low29.7Very low124 Ų124149.1 Ų149.176%0.76179%0.794SS**  trans-165.6143.4144.716.70000112.6
321D26Very low29.8Very low136 Ų136148.5 Ų148.573%0.72780%0.798SS**  trans42.4122.3145.3-49.7-17.5000122.4
322N26.9Very low29.9Very low172 Ų172148.4 Ų148.492%0.9280%0.796SS**  -162.7119.6115.6-106.4-67.1000111.5
323E30.2Very low30.1Very low186 Ų186150.6 Ų150.687%0.86980%0.804SS**  trans-138.3105.3170.6-161.3-165.4-140.900110.5
324R33Very low30Very low243 Ų243149.6 Ų149.692%0.91780%0.801SS**  trans174.7164162-104.9167.1-167.1-134.7-1.6110.1
325S28.5Very low29.2Very low109 Ų109153.6 Ų153.676%0.76281%0.811SS**  cis-1541616.424.80000112.1
326I30.9Very low29.5Very low158 Ų158154.7 Ų154.781%0.8181%0.806SS**  trans-80.3149.9165.4-62.1162.8000110.1
327S27Very low29.4Very low112 Ų112153.5 Ų153.578%0.78381%0.81SS**  trans-135.9142.516456.50000111.2
328N29Very low29.7Very low145 Ų145149.3 Ų149.378%0.77580%0.801SS**  trans-95.4-179.3-179.5-87.5-4.3000113
329D26.9Very low30.1Very low171 Ų171156.3 Ų156.391%0.91481%0.814SS**  trans81.6136.6179.7-64.8-11.8000116
330G28.3Very low30.3Very low56 Ų56147.7 Ų147.758%0.57781%0.805SS**  cis173.3168.3-5.800000112.6
331T30.9Very low30.4Very low151 Ų151153.3 Ų153.393%0.92681%0.812SS**  trans66.6153.9-18070.20000116.2
332C30.8Very low30.6Very low100 Ų100154.4 Ų154.468%0.67682%0.818SS**  cis-160.4-177.3-29-166.20000108.1
333F31.3Very low31Very low190 Ų190151.9 Ų151.983%0.83381%0.813SS**  trans68.5114.2-172.8-50.9-79000112.6
334Q33.3Very low31.1Very low146 Ų146151.1 Ų151.168%0.68281%0.814SS**  cis6994.829.2-165.6-171.8-25.300115.1H336Q334-H336 VanDerWaalsContact CD-NE2 3.3Å; Q334-H336 PolarHBondContact NE2-NE2 2.86Å
335E30.6Very low31.2Very low195 Ų195144.5 Ų144.591%0.91181%0.806SS**  trans-144163.6131.9-147.5161.1-143.700110.4
336H32.5Very low31.5Very low166 Ų166146 Ų14677%0.76981%0.805SS**  trans-106.8141.5-162.8-71.6-103.1000113.6Q334Q334-H336 VanDerWaalsContact CD-NE2 3.3Å; Q334-H336 PolarHBondContact NE2-NE2 2.86Å
337S29.2Very low31.9Very low130 Ų130146.2 Ų146.291%0.90980%0.802SS**  trans-160100.7159.9-800000110.5
338S35.6Very low32.1Very low95 Ų95147.2 Ų147.266%0.66480%0.798SS**  trans-126.889.2-170.161.90000114.1
339Y34.8Very low32.7Very low244 Ų244148 Ų14896%0.95780%0.803SS**  trans-153.3140.4159-64.3-71.4000107.6
340G29.5Very low33.6Very low73 Ų73143.3 Ų143.375%0.75378%0.783SS**  cis-163.5177-6.300000109.2
341R34.4Very low34.6Very low241 Ų241152.8 Ų152.891%0.90980%0.802SS**  trans-65.5142.2178.6-71.8-178.4177.3175.8-1.2111.9
342N29.3Very low35.6Very low159 Ų159151 Ų15185%0.8579%0.79SS**  -168.2144.3114.5-91.4-15.2000111.1
343S35.1Very low36.1Very low119 Ų119155.5 Ų155.583%0.83280%0.799SS**  trans-102.2118.4-177.7-56.30000111.8
344L33Very low37Very low170 Ų170152.3 Ų152.389%0.8980%0.797SS**  trans-156.9124.9156.5-87.7129.2000104.6
345S33.8Very low37.6Very low105 Ų105150.6 Ų150.673%0.73480%0.801SS**  cis66.766.625.6-166.50000114.7
346L34.6Very low38.3Very low141 Ų141146.7 Ų146.774%0.73879%0.793SS**  -161.3165.4114.3-150.265000110.6
347E40.7Very low39.2Very low161 Ų161144.9 Ų144.975%0.75280%0.796SS**  trans-56.9129.9175.2-53.575.7-98.300113.5
348D31.7Very low39.9Very low133 Ų133148.2 Ų148.271%0.71179%0.794SS**  trans-155.5133.1132.3-155.4-9.3000111.2S350D348-S350 WeakPolarHBondContact OD1-CB 3.24Å
349N39.9Very low40Very low163 Ų163149.5 Ų149.587%0.87280%0.803SS**  trans-119.562.5175-96-61.2000109
350S46.2Very low40.2Very low71 Ų71142.8 Ų142.850%0.49779%0.791SS.*  trans-122.690.1-170.6-169.30000111.8D348 V352D348-S350 WeakPolarHBondContact OD1-CB 3.24Å; S350-V352 PolarHBondContact O-N 2.83Å; S350-V352 WeakPolarHBondContact OG-CG2 3.49Å
351W48.6Very low40.6Very low256 Ų256148.3 Ų148.397%0.9780%0.798SS**  trans-75.775171.9-75.595.8000110.8
352V51.9Low40.8Very low113 Ų113143.3 Ų143.369%0.68579%0.794SS**  trans-109.3128.6177.91750000110.2S350S350-V352 PolarHBondContact O-N 2.83Å; S350-V352 WeakPolarHBondContact OG-CG2 3.49Å
353F42.9Very low41.1Very low194 Ų194140.6 Ų140.685%0.85179%0.794SS**PPolyproline II helixtrans-64.1140.2175.3-74.4-92.6000111.1S355F353-S355 PolarHBondContact O-N 2.91Å
354P49.8Very low40.9Very low124 Ų124145.4 Ų145.481%0.80580%0.8SS**PPolyproline II helixtrans-67.7127178.727.6-34.1000111.3
355S44.9Very low41.1Very low109 Ų109140.8 Ų140.876%0.76279%0.793SS**PPolyproline II helixtrans-60.9147.4171.9-62.70000111.7F353F353-S355 PolarHBondContact O-N 2.91Å
356P46Very low41.2Very low113 Ų113143 Ų14373%0.73479%0.792SS**PPolyproline II helixtrans-62.3152176.626.9-35000111.9
357P51.4Low41.3Very low128 Ų128143.1 Ų143.183%0.83180%0.799SS**PPolyproline II helixtrans-64.2139.7-175.726.3-34.7000112
358K43.6Very low41.1Very low201 Ų201143.3 Ų143.387%0.87480%0.797SS**PPolyproline II helixtrans-71138.8175.2-64.9-180-179.8177.80110.2S360K358-S360 PolarHBondContact O-N 2.93Å
359S38.8Very low41.1Very low122 Ų122143 Ų14385%0.85381%0.805SS**  trans-70.797.6178.153.50000111.8E361S359-E361 PolarHBondContact O-N 3.38Å
360S38.8Very low40.9Very low102 Ų102144.6 Ų144.671%0.71381%0.805SS**  trans-80.999.3173.256.90000111.5K358 T362K358-S360 PolarHBondContact O-N 2.93Å; S360-T362 PolarHBondContact O-N 3.09Å
361E36.8Very low40.2Very low190 Ų190146.4 Ų146.489%0.88881%0.813SS**  trans1492.9142.5-168.2168.7-159.500116.5S359S359-E361 PolarHBondContact O-N 3.38Å
362T38.3Very low39.5Very low136 Ų136141.9 Ų141.983%0.83481%0.807SS**  trans-136106.3161.324.60000108.2S360S360-T362 PolarHBondContact O-N 3.09Å
363A35.8Very low39.3Very low102 Ų102142.2 Ų142.284%0.84381%0.811SS**  trans-78.9128.4-17400000111.5
364F31.5Very low39Very low219 Ų219140.5 Ų140.596%0.96181%0.81SS**  trans-143.6113169.5-141.5-90.9000109.9
365G38.1Very low38.8Very low73 Ų73139.6 Ų139.675%0.75380%0.804SS**  trans127.675179.500000114.8T367G365-T367 PolarHBondContact O-N 2.82Å
366E34.5Very low38.1Very low152 Ų152140.9 Ų140.971%0.7180%0.802SS**  trans-66.5126.9159.6-76.9-161.212700110.3K368E366-K368 VanDerWaalsContact CD-CE 3.47Å; E366-K368 WeakPolarHBondContact OE1-CE 3.36Å; E366-K368 IonicContact OE1-NZ 3.49Å; E366-K368 WeakPolarHBondContact OE2-CE 3.2Å; E366-K368 IonicContact OE2-NZ 2.65Å; E366-K368 PolarHBondContact OE2-NZ 3.22Å
367T37.2Very low37.4Very low143 Ų143143 Ų14388%0.87781%0.807SS**  trans-134.3149.2148.351.20000109.7G365G365-T367 PolarHBondContact O-N 2.82Å
368K36.7Very low37Very low166 Ų166142.2 Ų142.272%0.72280%0.802SS**  trans-118.8127.1-155-69.8160.4179.9158.20112.4E366E366-K368 VanDerWaalsContact CD-CE 3.47Å; E366-K368 WeakPolarHBondContact OE1-CE 3.36Å; E366-K368 IonicContact OE1-NZ 3.49Å; E366-K368 WeakPolarHBondContact OE2-CE 3.2Å; E366-K368 IonicContact OE2-NZ 2.65Å; E366-K368 PolarHBondContact OE2-NZ 3.22Å
369S32.3Very low37.1Very low126 Ų126138.6 Ų138.688%0.88180%0.799SS**  trans-150.4172.4160.663.80000110.3
370K34.5Very low36.9Very low197 Ų197140.9 Ų140.986%0.85780%0.8SS**  trans-132.1140.4-153.6-96.1-178.1175.9179.10115.3
371T32.3Very low36.8Very low109 Ų109144 Ų14467%0.66980%0.803SS**  trans73.2103.1141-52.90000120.8
372L32.3Very low36.7Very low161 Ų161145.2 Ų145.284%0.84380%0.802SS**  trans51.8161.6134.4-55.9176.6000121.8
373P47.8Very low36.7Very low119 Ų119147.1 Ų147.177%0.77381%0.805SS**  cis-130.5-170-35.737-18000113.7
374L37.1Very low36.9Very low159 Ų159148 Ų14883%0.83280%0.796SS**  trans-58.6163.2172.9-102.773.7000114.3
375P45.9Very low37.2Very low105 Ų105145.3 Ų145.368%0.68279%0.787SS**  cis-158.1178.549.745.2-23.6000121.5
376N30.8Very low37.2Very low135 Ų135149 Ų14972%0.72278%0.784SS**  trans66.5115.7146.7-67.7-18.9000125.5
377L30.9Very low37.2Very low158 Ų158149.5 Ų149.583%0.82779%0.791SS**  trans62.9166136.5-64.5171.6000120.6
378P42.6Very low37.4Very low111 Ų111150.1 Ų150.172%0.72178%0.784SS**  cis-122.5177.9-27.337.1-21.3000112.7
379P46.9Very low37.5Very low125 Ų125150.3 Ų150.381%0.81279%0.793SS**  trans-85.7154.1177.434.5-35.6000114.1
380L33.4Very low37.8Very low170 Ų170149.9 Ų149.989%0.8979%0.789SS**  trans-142.9142.5174.7-115.7170.7000112.5
381H37.9Very low38.1Very low167 Ų167148.5 Ų148.577%0.77379%0.79SS**  trans-72.3147170.9-75.2-126.1000111.1
382Y33.8Very low38.5Very low217 Ų217154 Ų15485%0.85180%0.8SS**  163.5124.6116.4-107.1-90.4000110.9
383L38.3Very low39.2Very low175 Ų175154.9 Ų154.992%0.91680%0.797SS**  trans-170.1112.5142-109.7154.6000110
384D39.3Very low39.1Very low120 Ų120160.2 Ų160.264%0.64282%0.819SS**  trans-128.7179.4166.7175.835.9000106.6
385Q39.1Very low39.2Very low164 Ų164160.3 Ų160.377%0.76682%0.818SS**  trans84100.8-178.7-56.5-173.9-0.600112.5
386H36.7Very low38.8Very low150 Ų150163.2 Ų163.269%0.69483%0.826SS**  86.1121.571.9-91.456.1000111.8
387N34.8Very low39.3Very low162 Ų162164.7 Ų164.787%0.86683%0.831SS**  trans-134102.1172.7-156.1-10.8000107.3
388Q42.7Very low39.8Very low156 Ų156165.1 Ų165.173%0.72983%0.832SS**  trans-93.1136.9-176.9-73.6-166.6-4.600111.2C390Q388-C390 PolarHBondContact O-N 2.74Å
389N37.7Very low39.6Very low170 Ų170168.5 Ų168.591%0.90984%0.839SS**  trans-72.1121.5175.1-75.7-65.3000111.1
390C38.2Very low39.1Very low118 Ų118171.4 Ų171.480%0.79784%0.84SS**  trans-117.9113.5165.5-76.60000109.4Q388Q388-C390 PolarHBondContact O-N 2.74Å
391L41.1Very low39.5Very low167 Ų167171.5 Ų171.587%0.87484%0.837SS**  trans-166.4106.8156.3-112.1167.7000110.5
392Y40.5Very low39.6Very low226 Ų226171.8 Ų171.889%0.88684%0.842SS**  trans-159.5149.8161.1-119.8-73.6000109.7
393K47Very low40.1Very low178 Ų178168.1 Ų168.177%0.77484%0.841SS**  trans74148.2-175.4-56.1-177.6179.2-179.30114.7
394N45.8Very low40.3Very low231 Ų231167.5 Ų167.5100%1.23583%0.834SS**  cis-95.400.1-64.9-71.4000112.2

Retrieved 394 of 394 residues in 93.3 ms (Link to these results)