A0A067ZXH9_HUMAN Loading...

Nuclear pore complex-interacting protein

AlphaFold DB , UniProt , Accession A0A067ZXH9, Species HUMAN (Homo sapiens, Human), Gene NPIP, Length 266 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
1M34.7Very low36.9Very low247 Ų247170.2 Ų170.2100%1.21788%0.882SS**  0120.20-100.3166.7157.900107.7
2F35.8Very low36.6Very low193 Ų193161.9 Ų161.985%0.84687%0.87SS**  trans-61.8140.7174.2-89.4-101.3000110.6
3C33.3Very low37Very low126 Ų126156.3 Ų156.385%0.85187%0.874SS**  trans-147.8104.8146.2-130.10000109.9
4C42.4Very low36.9Very low106 Ų106153.7 Ų153.772%0.71687%0.869SS**  trans-78.6123.6165.2-59.60000108.5
5L38.8Very low37.5Very low170 Ų170155.3 Ų155.389%0.8986%0.863SS**  trans-148.7123154.7-71.8172.6000103.8
6G32.7Very low37.8Very low70 Ų70151.8 Ų151.872%0.72285%0.846SS**  cis155.8111.417.100000102.1E8G6-E8 PolarHBondContact O-N 3.04Å
7Y33.6Very low38Very low238 Ų238155.2 Ų155.293%0.93384%0.843SS**  trans-77114.9175-72.9-96.7000107.6
8E38.9Very low38.3Very low187 Ų187154.8 Ų154.887%0.87484%0.835SS**  trans-132.1120.2157.7-88.7-171.115200110G6G6-E8 PolarHBondContact O-N 3.04Å
9W42.4Very low38.7Very low245 Ų245149.8 Ų149.893%0.92881%0.813SS**  trans-73.1128.7165.2-90.169.8000109
10L34.9Very low39.2Very low170 Ų170144.9 Ų144.989%0.8979%0.793SS**  trans-137.3126.6153.1-95168.9000111.3
11S38.6Very low39.1Very low120 Ų120146.8 Ų146.884%0.83979%0.789SS**  trans-52.1154.1170.6-176.80000113.6
12G33.7Very low39.7Very low71 Ų71139.3 Ų139.373%0.73276%0.757SS**  trans132.4103.8156.700000113.7
13G41.3Very low40.4Very low89 Ų89135.5 Ų135.592%0.91874%0.744SS**  trans-65.6138.2178.400000113.7
14C35.9Very low40.9Very low120 Ų120134.9 Ų134.981%0.81173%0.732SS**  trans-144.1129.1140.9-158.50000108.5T16C14-T16 PolarHBondContact O-N 3.29Å; C14-T16 VanDerWaalsContact O-N 3.14Å
15K45.3Very low41Very low178 Ų178132.6 Ų132.677%0.77472%0.715SS**  trans-66.5105.3-179.5-70.3168.2176.3168.50109.4W17K15-W17 PolarHBondContact O-N 3.36Å
16T41.9Very low41.1Very low98 Ų98130.3 Ų130.360%0.60170%0.703SS**  trans-92.890.8161.755.90000108.6C14 H18 S19C14-T16 PolarHBondContact O-N 3.29Å; C14-T16 VanDerWaalsContact O-N 3.14Å; T16-H18 PolarHBondContact O-N 3.08Å; T16-S19 PolarHBondContact O-N 3.27Å; T16-S19 PolarHBondContact O-OG 3.48Å; T16-S19 VanDerWaalsContact O-OG 3.09Å; T16-S19 PolarHBondContact OG1-OG 3.05Å
17W42.8Very low41.7Very low210 Ų210129.8 Ų129.880%0.79569%0.692SS**Hα-helixtrans-58.9-10.8172.7-78.887.8000113.6K15K15-W17 PolarHBondContact O-N 3.36Å
18H42Very low42.1Very low149 Ų149124.6 Ų124.669%0.6968%0.681SS**Hα-helixtrans-78.6-27179.6-120.2-82.4000114.5T16T16-H18 PolarHBondContact O-N 3.08Å
19S47.3Very low42.3Very low59 Ų59122.7 Ų122.741%0.41367%0.671SS.*Hα-helixtrans-81.6-26.4-177.951.80000113T16 I23T16-S19 PolarHBondContact O-N 3.27Å; T16-S19 PolarHBondContact O-OG 3.48Å; T16-S19 VanDerWaalsContact O-OG 3.09Å; T16-S19 PolarHBondContact OG1-OG 3.05Å; S19-I23 WeakPolarHBondContact O-CD1 3.4Å; S19-I23 VanDerWaalsContact O-CG1 3.22Å; S19-I23 WeakPolarHBondContact O-CG1 3.11Å; S19-I23 PolarHBondContact O-N 3.33Å; S19-I23 VanDerWaalsContact O-N 3.17Å
20A47.7Very low42.5Very low52 Ų52118.8 Ų118.843%0.4366%0.663SS.*Hα-helixtrans-70.7-33174.800000112.4N24A20-N24 WeakPolarHBondContact O-CB 3.46Å; A20-N24 PolarHBondContact O-N 3.02Å
21W37.8Very low43Very low185 Ų185118.8 Ų118.870%0.70166%0.658SS**Hα-helixtrans-68-48176.5-161.859.8000110.5I23 N24 T25W21-I23 VanDerWaalsContact C-N 3.33Å; W21-I23 PolarHBondContact O-N 3.49Å; W21-N24 PolarHBondContact O-N 3.4Å; W21-N24 VanDerWaalsContact O-N 3.15Å; W21-T25 PolarHBondContact O-N 3.48Å; W21-T25 PolarHBondContact O-OG1 3.01Å
22V47.5Very low43.4Very low89 Ų89124.5 Ų124.554%0.53966%0.661SS.*Hα-helixtrans-62.5-36.2179176.70000112.7L26V22-L26 WeakPolarHBondContact O-CB 3.24Å; V22-L26 PolarHBondContact O-N 3.32Å; V22-L26 VanDerWaalsContact O-N 3.08Å
23I49.6Very low43.7Very low113 Ų113123.9 Ų123.958%0.57966%0.655SS**Hα-helixtrans-72.4-37.2176.8-64.4166.3000111.2S19 W21 L26 A27S19-I23 WeakPolarHBondContact O-CD1 3.4Å; S19-I23 VanDerWaalsContact O-CG1 3.22Å; S19-I23 WeakPolarHBondContact O-CG1 3.11Å; S19-I23 PolarHBondContact O-N 3.33Å; S19-I23 VanDerWaalsContact O-N 3.17Å; W21-I23 VanDerWaalsContact C-N 3.33Å; W21-I23 PolarHBondContact O-N 3.49Å; I23-L26 PolarHBondContact O-N 3.46Å; I23-A27 WeakPolarHBondContact O-CB 3.42Å; I23-A27 PolarHBondContact O-N 3.18Å
24N44.2Very low44.3Very low113 Ų113126 Ų12660%0.60465%0.65SS**Hα-helixtrans-73.2-34.4175.6-81.9-24.3000112.6A20 W21 L26 A27 D28A20-N24 WeakPolarHBondContact O-CB 3.46Å; A20-N24 PolarHBondContact O-N 3.02Å; W21-N24 PolarHBondContact O-N 3.4Å; W21-N24 VanDerWaalsContact O-N 3.15Å; N24-L26 VanDerWaalsContact C-N 3.31Å; N24-L26 PolarHBondContact O-N 3.1Å; N24-A27 PolarHBondContact O-N 3.06Å; N24-D28 WeakPolarHBondContact O-CB 3.19Å; N24-D28 PolarHBondContact O-N 3.39Å
25T44.7Very low44.7Very low59 Ų59127.6 Ų127.636%0.36265%0.651SS.*Hα-helixtrans-68.8-31.8173.9-34.20000111.6W21 H29W21-T25 PolarHBondContact O-N 3.48Å; W21-T25 PolarHBondContact O-OG1 3.01Å; T25-H29 PolarHBondContact O-N 3.36Å
26L41.2Very low44.7Very low121 Ų121129.7 Ų129.763%0.63466%0.66SS**Hα-helixtrans-74.6-34.5174-168.768000112.5V22 I23 N24V22-L26 WeakPolarHBondContact O-CB 3.24Å; V22-L26 PolarHBondContact O-N 3.32Å; V22-L26 VanDerWaalsContact O-N 3.08Å; I23-L26 PolarHBondContact O-N 3.46Å; N24-L26 VanDerWaalsContact C-N 3.31Å; N24-L26 PolarHBondContact O-N 3.1Å
27A45.1Very low45Very low59 Ų59127.1 Ų127.149%0.48865%0.653SS.*Hα-helixtrans-71.4-32.517500000112.6I23 N24 H29 H30I23-A27 WeakPolarHBondContact O-CB 3.42Å; I23-A27 PolarHBondContact O-N 3.18Å; N24-A27 PolarHBondContact O-N 3.06Å; A27-H29 VanDerWaalsContact C-N 3.32Å; A27-H30 PolarHBondContact O-N 2.92Å
28D41.9Very low45Very low129 Ų129119.7 Ų119.769%0.6964%0.642SS**Hα-helixtrans-77.4-18.2-179-15552.7000113.1N24N24-D28 WeakPolarHBondContact O-CB 3.19Å; N24-D28 PolarHBondContact O-N 3.39Å
29H43.3Very low45.8Very low147 Ų147116.8 Ų116.868%0.68164%0.639SS**G310 helixtrans-85.3-4.9174.6-81.814.5000114.8T25 A27 H31T25-H29 PolarHBondContact O-N 3.36Å; A27-H29 VanDerWaalsContact C-N 3.32Å; H29-H31 VanDerWaalsContact C-N 3.3Å; H29-H31 PolarHBondContact O-N 3.17Å
30H46.6Very low46.3Very low163 Ų163118.7 Ų118.776%0.75565%0.65SS**G310 helixtrans-85.44.2175.5-92.7-72.4000114.5A27A27-H30 PolarHBondContact O-N 2.92Å
31H45.4Very low46.8Very low170 Ų170125 Ų12579%0.78766%0.662SS**G310 helixtrans-106.511.5-173.7-120.6-51.7000116.8H29H29-H31 VanDerWaalsContact C-N 3.3Å; H29-H31 PolarHBondContact O-N 3.17Å
32R46.2Very low48.1Very low240 Ų240121 Ų12191%0.90665%0.654SS**SBendtrans-143.3119.9176.1-92.8-178.1151.2-177.2-6.7113.4
33G40.7Very low48.8Very low59 Ų59123.6 Ų123.661%0.60866%0.66SS**  trans100.585.7163.400000113.2
34T54.1Low49.6Very low132 Ų132122.2 Ų122.281%0.8166%0.657SS**  78.891.199.752.90000113.8
35D44.4Very low50.6Low155 Ų155121.1 Ų121.183%0.82965%0.65SS**  trans-131.8102.6158.4-74.9-43.8000110G37D35-G37 VanDerWaalsContact C-N 3.31Å; D35-G37 PolarHBondContact O-N 3.4Å
36F44Very low51.5Low221 Ų221123.7 Ų123.797%0.96966%0.66SS**SBendtrans-363.4152.3-79.1-94.9000118.7
37G48.3Very low52.4Low44 Ų44120.3 Ų120.345%0.45465%0.65SS.*  trans-163.427.917900000114.2D35D35-G37 VanDerWaalsContact C-N 3.31Å; D35-G37 PolarHBondContact O-N 3.4Å
38G42.7Very low53.1Low54 Ų54124.6 Ų124.656%0.55766%0.658SS**  trans-53154.3179.900000112.6P40 W41G38-P40 WeakPolarHBondContact O-CD 3.34Å; G38-W41 PolarHBondContact O-N 3.01Å
39S58.3Low54.2Low89 Ų89120.7 Ų120.762%0.62264%0.639SS**THydrogen-bonded Turntrans-34.6-28.1-175.2-63.20000119.4H43S39-H43 PolarHBondContact O-CD2 3.45Å; S39-H43 PolarHBondContact O-N 3.47Å
40P59.6Low55.3Low98 Ų98117.8 Ų117.864%0.63663%0.632SS**Hα-helixtrans-63.4-39176.8-26.836.6000114.8G38 H43 V44G38-P40 WeakPolarHBondContact O-CD 3.34Å; P40-H43 PolarHBondContact O-N 2.91Å; P40-V44 WeakPolarHBondContact O-CG2 3.18Å; P40-V44 PolarHBondContact O-N 3.22Å
41W58.2Low56.5Low185 Ų185113.3 Ų113.370%0.70162%0.619SS**Hα-helixtrans-73-34.8-173.7-120.780.1000112.4G38 V44 I45G38-W41 PolarHBondContact O-N 3.01Å; W41-V44 PolarHBondContact O-N 3.33Å; W41-I45 HydrophobicContact CE3-CD1 3.5Å; W41-I45 VanDerWaalsContact CE3-CD1 3.5Å; W41-I45 HydrophobicContact CE3-CG1 3.9Å; W41-I45 HydrophobicContact CZ3-CD1 3.93Å; W41-I45 HydrophobicContact CZ3-CG1 4.16Å; W41-I45 VanDerWaalsContact O-CG1 3.24Å; W41-I45 WeakPolarHBondContact O-CG1 3.33Å; W41-I45 PolarHBondContact O-N 3.07Å
42L64Low58.2Low101 Ų101110.3 Ų110.353%0.52960%0.601SS.*Hα-helixtrans-66.8-38.5172.8-71171.8000112V44 I45 I46L42-V44 VanDerWaalsContact C-N 3.31Å; L42-V44 PolarHBondContact O-N 3.05Å; L42-I45 PolarHBondContact O-N 3.35Å; L42-I46 WeakPolarHBondContact O-CB 3.31Å; L42-I46 VanDerWaalsContact O-CG1 3.3Å; L42-I46 WeakPolarHBondContact O-CG1 3.39Å; L42-I46 PolarHBondContact O-N 3.48Å
43H62.1Low59.9Low144 Ų144104.7 Ų104.767%0.66758%0.584SS**Hα-helixtrans-61.4-40.7171.5-95.1-85.9000111.7S39 P40 I46 A47S39-H43 PolarHBondContact O-CD2 3.45Å; S39-H43 PolarHBondContact O-N 3.47Å; P40-H43 PolarHBondContact O-N 2.91Å; H43-I46 PolarHBondContact O-N 3.08Å; H43-A47 WeakPolarHBondContact O-CB 3.28Å; H43-A47 PolarHBondContact O-N 3.24Å
44V66.3Low61.8Low84 Ų84105.5 Ų105.551%0.50958%0.577SS.*Hα-helixtrans-65.4-45.6174.5174.80000111.1P40 W41 L42 I46 A47 F48P40-V44 WeakPolarHBondContact O-CG2 3.18Å; P40-V44 PolarHBondContact O-N 3.22Å; W41-V44 PolarHBondContact O-N 3.33Å; L42-V44 VanDerWaalsContact C-N 3.31Å; L42-V44 PolarHBondContact O-N 3.05Å; V44-I46 VanDerWaalsContact C-N 3.28Å; V44-I46 PolarHBondContact O-N 2.89Å; V44-A47 PolarHBondContact O-N 2.8Å; V44-F48 WeakPolarHBondContact O-CB 3.32Å; V44-F48 PolarHBondContact O-N 2.9Å
45I66.1Low63.3Low89 Ų89103.8 Ų103.846%0.45657%0.566SS.*Hα-helixtrans-63.5-30178.7-68.3162000112.4W41 L42 P49W41-I45 HydrophobicContact CE3-CD1 3.5Å; W41-I45 VanDerWaalsContact CE3-CD1 3.5Å; W41-I45 HydrophobicContact CE3-CG1 3.9Å; W41-I45 HydrophobicContact CZ3-CD1 3.93Å; W41-I45 HydrophobicContact CZ3-CG1 4.16Å; W41-I45 VanDerWaalsContact O-CG1 3.24Å; W41-I45 WeakPolarHBondContact O-CG1 3.33Å; W41-I45 PolarHBondContact O-N 3.07Å; L42-I45 PolarHBondContact O-N 3.35Å; I45-P49 WeakPolarHBondContact O-CD 3.48Å; I45-P49 WeakPolarHBondContact O-CG 3.47Å
46I62.6Low65.4Low114 Ų114100.1 Ų100.159%0.58555%0.546SS*.Hα-helixtrans-91-36.4179.2-64.1166.9000112L42 H43 V44 P49 T50L42-I46 WeakPolarHBondContact O-CB 3.31Å; L42-I46 VanDerWaalsContact O-CG1 3.3Å; L42-I46 WeakPolarHBondContact O-CG1 3.39Å; L42-I46 PolarHBondContact O-N 3.48Å; H43-I46 PolarHBondContact O-N 3.08Å; V44-I46 VanDerWaalsContact C-N 3.28Å; V44-I46 PolarHBondContact O-N 2.89Å; I46-P49 WeakPolarHBondContact O-CD 3.27Å; I46-T50 PolarHBondContact O-OG1 3.45Å; I46-T50 VanDerWaalsContact O-OG1 3.12Å
47A60.1Low67.4Low49 Ų4993.4 Ų93.441%0.40552%0.523SS..Hα-helixtrans-71.2-38.7178.600000112H43 V44 T50 S51H43-A47 WeakPolarHBondContact O-CB 3.28Å; H43-A47 PolarHBondContact O-N 3.24Å; V44-A47 PolarHBondContact O-N 2.8Å; A47-T50 PolarHBondContact O-N 2.8Å; A47-T50 VanDerWaalsContact O-N 3.12Å; A47-S51 WeakPolarHBondContact O-CB 3.28Å; A47-S51 PolarHBondContact O-N 2.96Å; A47-S51 PolarHBondContact O-OG 2.91Å; A47-S51 VanDerWaalsContact O-OG 3.07Å
48F59.7Low69.2Low149 Ų14996.7 Ų96.765%0.65453%0.529SS*.Hα-helixtrans-61.2-41.3-178.8-159.9-90000112.8V44 T50 S51 Y52V44-F48 WeakPolarHBondContact O-CB 3.32Å; V44-F48 PolarHBondContact O-N 2.9Å; F48-T50 VanDerWaalsContact C-N 3.32Å; F48-T50 PolarHBondContact O-N 2.96Å; F48-S51 PolarHBondContact O-N 3.39Å; F48-Y52 WeakPolarHBondContact O-CD1 3.49Å; F48-Y52 PolarHBondContact O-N 2.9Å
49P65.9Low71.6Confident47 Ų47102.1 Ų102.131%0.30553%0.533SS..Hα-helixtrans-56.2-41.6170-31.135.9000115.6I45 I46 Y52 K53I45-P49 WeakPolarHBondContact O-CD 3.48Å; I45-P49 WeakPolarHBondContact O-CG 3.47Å; I46-P49 WeakPolarHBondContact O-CD 3.27Å; P49-Y52 HydrophobicContact CB-CD1 4.28Å; P49-Y52 HydrophobicContact CB-CE1 3.85Å; P49-Y52 WeakPolarHBondContact O-CD1 3.13Å; P49-Y52 WeakPolarHBondContact O-CE1 3.37Å; P49-K53 VanDerWaalsContact O-CG 3.3Å; P49-K53 WeakPolarHBondContact O-CG 3.41Å; P49-K53 PolarHBondContact O-N 3.35Å
50T65.3Low73.2Confident86 Ų86101.6 Ų101.653%0.52852%0.523SS..Hα-helixtrans-74.8-42.4-175.4-52.60000109.7I46 A47 F48 K53 V54I46-T50 PolarHBondContact O-OG1 3.45Å; I46-T50 VanDerWaalsContact O-OG1 3.12Å; A47-T50 PolarHBondContact O-N 2.8Å; A47-T50 VanDerWaalsContact O-N 3.12Å; F48-T50 VanDerWaalsContact C-N 3.32Å; F48-T50 PolarHBondContact O-N 2.96Å; T50-K53 PolarHBondContact O-N 3.45Å; T50-V54 WeakPolarHBondContact O-CG2 3.17Å; T50-V54 PolarHBondContact O-N 2.93Å
51S72.6Confident74.7Confident69 Ų69101.2 Ų101.248%0.48352%0.518SS..Hα-helixtrans-64.7-44.6176-60.60000112.3A47 F48 K53 V54 V55A47-S51 WeakPolarHBondContact O-CB 3.28Å; A47-S51 PolarHBondContact O-N 2.96Å; A47-S51 PolarHBondContact O-OG 2.91Å; A47-S51 VanDerWaalsContact O-OG 3.07Å; F48-S51 PolarHBondContact O-N 3.39Å; S51-K53 VanDerWaalsContact C-N 3.3Å; S51-K53 PolarHBondContact O-N 3.49Å; S51-V54 PolarHBondContact O-N 3.24Å; S51-V55 WeakPolarHBondContact O-CG2 3.09Å; S51-V55 PolarHBondContact O-N 3.5Å
52Y81.5Confident76.3Confident107 Ų107100.2 Ų100.242%0.4252%0.515SS..Hα-helixtrans-63.8-38.4178.889.4-112.7000111.3F48 P49 V54 V55 I56F48-Y52 WeakPolarHBondContact O-CD1 3.49Å; F48-Y52 PolarHBondContact O-N 2.9Å; P49-Y52 HydrophobicContact CB-CD1 4.28Å; P49-Y52 HydrophobicContact CB-CE1 3.85Å; P49-Y52 WeakPolarHBondContact O-CD1 3.13Å; P49-Y52 WeakPolarHBondContact O-CE1 3.37Å; Y52-V54 VanDerWaalsContact C-N 3.29Å; Y52-V54 PolarHBondContact O-N 3.46Å; Y52-V55 PolarHBondContact O-N 3.44Å; Y52-I56 HydrophobicContact CD2-CD1 3.54Å; Y52-I56 HydrophobicContact CD2-CG1 4.34Å; Y52-I56 HydrophobicContact CE2-CD1 4.01Å; Y52-I56 WeakPolarHBondContact O-CB 3.47Å; Y52-I56 VanDerWaalsContact O-CG1 3.27Å; Y52-I56 WeakPolarHBondContact O-CG1 3.5Å; Y52-I56 PolarHBondContact O-N 2.96Å
53K80.9Confident77.6Confident122 Ų122100.1 Ų100.153%0.5352%0.515SS..Hα-helixtrans-62.2-40.2178.8-77.6-179.8-179.7175.80111.2P49 T50 S51 T57P49-K53 VanDerWaalsContact O-CG 3.3Å; P49-K53 WeakPolarHBondContact O-CG 3.41Å; P49-K53 PolarHBondContact O-N 3.35Å; T50-K53 PolarHBondContact O-N 3.45Å; S51-K53 VanDerWaalsContact C-N 3.3Å; S51-K53 PolarHBondContact O-N 3.49Å; K53-T57 VanDerWaalsContact O-CG2 3.28Å; K53-T57 WeakPolarHBondContact O-CG2 3.4Å; K53-T57 PolarHBondContact O-N 2.99Å; K53-T57 PolarHBondContact O-OG1 3.4Å
54V82Confident79Confident77 Ų77101.1 Ų101.147%0.46751%0.513SS..Hα-helixtrans-67-42.5176.3174.90000111.2T50 S51 Y52 T57 L58T50-V54 WeakPolarHBondContact O-CG2 3.17Å; T50-V54 PolarHBondContact O-N 2.93Å; S51-V54 PolarHBondContact O-N 3.24Å; Y52-V54 VanDerWaalsContact C-N 3.29Å; Y52-V54 PolarHBondContact O-N 3.46Å; V54-T57 WeakPolarHBondContact CA-OG1 3.31Å; V54-T57 PolarHBondContact O-N 3.07Å; V54-T57 PolarHBondContact O-OG1 2.89Å; V54-L58 HydrophobicContact CG1-CD1 3.91Å; V54-L58 HydrophobicContact CG1-CG 4.41Å; V54-L58 WeakPolarHBondContact O-CB 3.49Å; V54-L58 VanDerWaalsContact O-CG 3.23Å; V54-L58 WeakPolarHBondContact O-CG 3.29Å; V54-L58 PolarHBondContact O-N 2.83Å
55V85.2Confident80Confident96 Ų96101.1 Ų101.158%0.58251%0.513SS*.Hα-helixtrans-65.6-42.8178174.60000111.4S51 Y52 L58 W59S51-V55 WeakPolarHBondContact O-CG2 3.09Å; S51-V55 PolarHBondContact O-N 3.5Å; Y52-V55 PolarHBondContact O-N 3.44Å; V55-L58 PolarHBondContact O-N 2.9Å; V55-W59 WeakPolarHBondContact O-CB 3.41Å; V55-W59 PolarHBondContact O-N 3.34Å
56I87.4Confident80.9Confident78 Ų7899 Ų9940%0.451%0.506SS..Hα-helixtrans-63.9-43.9177.4-69.1178.5000110.9Y52 W59 I60Y52-I56 HydrophobicContact CD2-CD1 3.54Å; Y52-I56 HydrophobicContact CD2-CG1 4.34Å; Y52-I56 HydrophobicContact CE2-CD1 4.01Å; Y52-I56 WeakPolarHBondContact O-CB 3.47Å; Y52-I56 VanDerWaalsContact O-CG1 3.27Å; Y52-I56 WeakPolarHBondContact O-CG1 3.5Å; Y52-I56 PolarHBondContact O-N 2.96Å; I56-W59 PolarHBondContact O-N 3.3Å; I56-I60 HydrophobicContact CG2-CD1 3.73Å; I56-I60 HydrophobicContact CG2-CG1 4.38Å; I56-I60 VanDerWaalsContact O-CG1 3.24Å; I56-I60 WeakPolarHBondContact O-CG1 3.33Å; I56-I60 PolarHBondContact O-N 3.42Å
57T86Confident82Confident80 Ų8097.9 Ų97.949%0.49150%0.501SS..Hα-helixtrans-65.9-40.8178.652.10000111.6K53 V54 I60 V61K53-T57 VanDerWaalsContact O-CG2 3.28Å; K53-T57 WeakPolarHBondContact O-CG2 3.4Å; K53-T57 PolarHBondContact O-N 2.99Å; K53-T57 PolarHBondContact O-OG1 3.4Å; V54-T57 WeakPolarHBondContact CA-OG1 3.31Å; V54-T57 PolarHBondContact O-N 3.07Å; V54-T57 PolarHBondContact O-OG1 2.89Å; T57-I60 PolarHBondContact O-N 3.36Å; T57-V61 VanDerWaalsContact O-CG2 3.28Å; T57-V61 WeakPolarHBondContact O-CG2 3.24Å; T57-V61 PolarHBondContact O-N 2.72Å
58L87.5Confident83.3Confident112 Ų112100.6 Ų100.659%0.58651%0.508SS*.Hα-helixtrans-61.9-42.9173.8-73.2172.2000111.8V54 V55 V61 Y62V54-L58 HydrophobicContact CG1-CD1 3.91Å; V54-L58 HydrophobicContact CG1-CG 4.41Å; V54-L58 WeakPolarHBondContact O-CB 3.49Å; V54-L58 VanDerWaalsContact O-CG 3.23Å; V54-L58 WeakPolarHBondContact O-CG 3.29Å; V54-L58 PolarHBondContact O-N 2.83Å; V55-L58 PolarHBondContact O-N 2.9Å; L58-V61 PolarHBondContact O-N 2.79Å; L58-Y62 VanDerWaalsContact O-CB 3.27Å; L58-Y62 WeakPolarHBondContact O-CB 3.34Å; L58-Y62 PolarHBondContact O-N 3.35Å
59W91.6Very high84.2Confident168 Ų168101 Ų10164%0.63651%0.509SS*.Hα-helixtrans-63.8-41.8177.2-175.957.3000112.2V55 I56 Y62 L63V55-W59 WeakPolarHBondContact O-CB 3.41Å; V55-W59 PolarHBondContact O-N 3.34Å; I56-W59 PolarHBondContact O-N 3.3Å; W59-Y62 PolarHBondContact O-N 3.21Å; W59-L63 WeakPolarHBondContact O-CB 3.42Å; W59-L63 PolarHBondContact O-N 3.44Å
60I91.7Very high84.6Confident79 Ų79103 Ų10341%0.40552%0.521SS..Hα-helixtrans-63.1-47.1175.6-69.2167.3000110.7I56 T57 Y62 L63 W64I56-I60 HydrophobicContact CG2-CD1 3.73Å; I56-I60 HydrophobicContact CG2-CG1 4.38Å; I56-I60 VanDerWaalsContact O-CG1 3.24Å; I56-I60 WeakPolarHBondContact O-CG1 3.33Å; I56-I60 PolarHBondContact O-N 3.42Å; T57-I60 PolarHBondContact O-N 3.36Å; I60-Y62 VanDerWaalsContact C-N 3.33Å; I60-Y62 PolarHBondContact O-N 3.01Å; I60-L63 PolarHBondContact O-N 3.35Å; I60-W64 WeakPolarHBondContact O-CB 3.27Å; I60-W64 VanDerWaalsContact O-CD1 3.32Å; I60-W64 PolarHBondContact O-N 2.98Å
61V92.6Very high85.1Confident89 Ų89102.4 Ų102.454%0.53951%0.514SS..Hα-helixtrans-62.3-43.4178.4172.40000110.4T57 L58 L63 W64 V65T57-V61 VanDerWaalsContact O-CG2 3.28Å; T57-V61 WeakPolarHBondContact O-CG2 3.24Å; T57-V61 PolarHBondContact O-N 2.72Å; L58-V61 PolarHBondContact O-N 2.79Å; V61-L63 PolarHBondContact O-N 3.09Å; V61-W64 PolarHBondContact O-N 2.95Å; V61-V65 HydrophobicContact CG1-CG2 4.3Å; V61-V65 WeakPolarHBondContact O-CG2 3.27Å; V61-V65 PolarHBondContact O-N 3.4Å
62Y91.2Very high84.8Confident165 Ų165104.8 Ų104.865%0.64752%0.515SS*.Hα-helixtrans-62.2-42.7177.2-177.5-99.8000112.5L58 W59 I60 W64 V65 S66L58-Y62 VanDerWaalsContact O-CB 3.27Å; L58-Y62 WeakPolarHBondContact O-CB 3.34Å; L58-Y62 PolarHBondContact O-N 3.35Å; W59-Y62 PolarHBondContact O-N 3.21Å; I60-Y62 VanDerWaalsContact C-N 3.33Å; I60-Y62 PolarHBondContact O-N 3.01Å; Y62-W64 VanDerWaalsContact C-N 3.34Å; Y62-V65 PolarHBondContact O-N 3.33Å; Y62-S66 VanDerWaalsContact O-CB 3.29Å; Y62-S66 WeakPolarHBondContact O-CB 3.36Å; Y62-S66 PolarHBondContact O-N 3.16Å; Y62-S66 PolarHBondContact O-OG 3.11Å
63L92.4Very high83.6Confident98 Ų98109.8 Ų109.851%0.51353%0.534SS..Hα-helixtrans-62.6-42.2175.1-174.165.7000111.1W59 I60 V61 S66 L67W59-L63 WeakPolarHBondContact O-CB 3.42Å; W59-L63 PolarHBondContact O-N 3.44Å; I60-L63 PolarHBondContact O-N 3.35Å; V61-L63 PolarHBondContact O-N 3.09Å; L63-S66 PolarHBondContact O-N 2.87Å; L63-L67 WeakPolarHBondContact O-CB 3.37Å; L63-L67 PolarHBondContact O-N 2.92Å
64W90.1Very high82.4Confident165 Ų165107.7 Ų107.763%0.62553%0.534SS*.Hα-helixtrans-66.1-43.2176.6-93.989.7000112.9I60 V61 Y62 S66 L67 L68I60-W64 WeakPolarHBondContact O-CB 3.27Å; I60-W64 VanDerWaalsContact O-CD1 3.32Å; I60-W64 PolarHBondContact O-N 2.98Å; V61-W64 PolarHBondContact O-N 2.95Å; Y62-W64 VanDerWaalsContact C-N 3.34Å; W64-S66 VanDerWaalsContact C-N 3.35Å; W64-L67 PolarHBondContact O-N 3.31Å; W64-L68 VanDerWaalsContact O-CB 3.24Å; W64-L68 WeakPolarHBondContact O-CB 3.34Å; W64-L68 PolarHBondContact O-N 3.46Å
65V87.4Confident80.8Confident85 Ų85111.6 Ų111.652%0.51554%0.541SS..Hα-helixtrans-65.4-40.7176.8171.80000110.7V61 Y62 L68 K69V61-V65 HydrophobicContact CG1-CG2 4.3Å; V61-V65 WeakPolarHBondContact O-CG2 3.27Å; V61-V65 PolarHBondContact O-N 3.4Å; Y62-V65 PolarHBondContact O-N 3.33Å; V65-L68 PolarHBondContact O-N 3.42Å; V65-K69 VanDerWaalsContact O-CB 3.24Å; V65-K69 WeakPolarHBondContact O-CB 3.24Å; V65-K69 PolarHBondContact O-N 2.99Å
66S85.2Confident79.2Confident45 Ų45111.7 Ų111.732%0.31554%0.538SS..Hα-helixtrans-62.9-45.4175.1-62.50000111.7Y62 L63 W64 K69 T70Y62-S66 VanDerWaalsContact O-CB 3.29Å; Y62-S66 WeakPolarHBondContact O-CB 3.36Å; Y62-S66 PolarHBondContact O-N 3.16Å; Y62-S66 PolarHBondContact O-OG 3.11Å; L63-S66 PolarHBondContact O-N 2.87Å; W64-S66 VanDerWaalsContact C-N 3.35Å; S66-K69 PolarHBondContact O-N 3.46Å; S66-T70 WeakPolarHBondContact O-CG2 3.27Å; S66-T70 PolarHBondContact O-N 2.77Å; S66-T70 PolarHBondContact O-OG1 3.48Å
67L86.1Confident77.5Confident89 Ų89110.9 Ų110.947%0.46655%0.549SS..Hα-helixtrans-62.7-43.7174.5-167.7101.4000111.3L63 W64 K69 T70 I71L63-L67 WeakPolarHBondContact O-CB 3.37Å; L63-L67 PolarHBondContact O-N 2.92Å; W64-L67 PolarHBondContact O-N 3.31Å; L67-K69 VanDerWaalsContact C-N 3.3Å; L67-K69 PolarHBondContact O-N 3.38Å; L67-T70 PolarHBondContact O-N 2.91Å; L67-T70 PolarHBondContact O-OG1 2.93Å; L67-I71 HydrophobicContact CD2-CD1 3.82Å; L67-I71 HydrophobicContact CG-CD1 3.95Å; L67-I71 VanDerWaalsContact O-CG1 3.27Å; L67-I71 WeakPolarHBondContact O-CG1 3.27Å; L67-I71 PolarHBondContact O-N 3.26Å
68L86Confident75.9Confident106 Ų106113 Ų11356%0.55555%0.553SS**Hα-helixtrans-65.2-38.2179.6-158.672.3000111W64 V65 I71 F72W64-L68 VanDerWaalsContact O-CB 3.24Å; W64-L68 WeakPolarHBondContact O-CB 3.34Å; W64-L68 PolarHBondContact O-N 3.46Å; V65-L68 PolarHBondContact O-N 3.42Å; L68-I71 PolarHBondContact O-N 3.37Å; L68-F72 VanDerWaalsContact O-CB 3.27Å; L68-F72 WeakPolarHBondContact O-CB 3.32Å; L68-F72 PolarHBondContact O-N 3.4Å
69K78.9Confident74.1Confident157 Ų157113.5 Ų113.568%0.68356%0.556SS**Hα-helixtrans-66.1-43.1176.8-172.4150177.6156.60111.8V65 S66 L67 F72 W73V65-K69 VanDerWaalsContact O-CB 3.24Å; V65-K69 WeakPolarHBondContact O-CB 3.24Å; V65-K69 PolarHBondContact O-N 2.99Å; S66-K69 PolarHBondContact O-N 3.46Å; L67-K69 VanDerWaalsContact C-N 3.3Å; L67-K69 PolarHBondContact O-N 3.38Å; K69-F72 PolarHBondContact O-N 2.96Å; K69-W73 VanDerWaalsContact O-CB 3.27Å; K69-W73 WeakPolarHBondContact O-CB 3.48Å; K69-W73 PolarHBondContact O-N 2.76Å
70T74.1Confident72.3Confident90 Ų90108.2 Ų108.255%0.55255%0.554SS**Hα-helixtrans-63.5-43.1174.656.20000112.2S66 L67 S74S66-T70 WeakPolarHBondContact O-CG2 3.27Å; S66-T70 PolarHBondContact O-N 2.77Å; S66-T70 PolarHBondContact O-OG1 3.48Å; L67-T70 PolarHBondContact O-N 2.91Å; L67-T70 PolarHBondContact O-OG1 2.93Å; T70-S74 PolarHBondContact O-N 3.34Å; T70-S74 VanDerWaalsContact O-N 3.09Å
71I75.9Confident70.4Confident74 Ų74108 Ų10838%0.37956%0.56SS.*Hα-helixtrans-65.3-44.6177.7-66.5166.3000111.1L67 L68 S74 R75L67-I71 HydrophobicContact CD2-CD1 3.82Å; L67-I71 HydrophobicContact CG-CD1 3.95Å; L67-I71 VanDerWaalsContact O-CG1 3.27Å; L67-I71 WeakPolarHBondContact O-CG1 3.27Å; L67-I71 PolarHBondContact O-N 3.26Å; L68-I71 PolarHBondContact O-N 3.37Å; I71-S74 PolarHBondContact O-N 2.92Å; I71-S74 PolarHBondContact O-OG 3.37Å; I71-R75 PolarHBondContact O-N 2.87Å
72F67.6Low68.6Low118 Ų118107.3 Ų107.352%0.51856%0.556SS.*Hα-helixtrans-71.8-34.5-176.7-148-101000112.2L68 K69 S74 R75 N76L68-F72 VanDerWaalsContact O-CB 3.27Å; L68-F72 WeakPolarHBondContact O-CB 3.32Å; L68-F72 PolarHBondContact O-N 3.4Å; K69-F72 PolarHBondContact O-N 2.96Å; F72-S74 VanDerWaalsContact C-N 3.35Å; F72-R75 PolarHBondContact O-N 2.87Å; F72-R75 VanDerWaalsContact O-N 3.16Å; F72-N76 WeakPolarHBondContact CD1-ND2 3.24Å; F72-N76 WeakPolarHBondContact CE1-ND2 3.32Å; F72-N76 PolarHBondContact O-N 3.49Å
73W55.3Low67.1Low213 Ų213103.2 Ų103.281%0.80755%0.545SS*.Hα-helixtrans-68.2-35.4174.1-148.625.2000111.8K69 R75 G77K69-W73 VanDerWaalsContact O-CB 3.27Å; K69-W73 WeakPolarHBondContact O-CB 3.48Å; K69-W73 PolarHBondContact O-N 2.76Å; W73-R75 PolarHBondContact O-N 3.39Å; W73-G77 PolarHBondContact O-N 2.85Å
74S55.5Low65.4Low77 Ų77103.4 Ų103.454%0.53855%0.55SS..Hα-helixtrans-65.4-24.8171.783.90000113.7T70 I71 F72T70-S74 PolarHBondContact O-N 3.34Å; T70-S74 VanDerWaalsContact O-N 3.09Å; I71-S74 PolarHBondContact O-N 2.92Å; I71-S74 PolarHBondContact O-OG 3.37Å; F72-S74 VanDerWaalsContact C-N 3.35Å
75R50.2Low63.8Low159 Ų159102.4 Ų102.460%0.655%0.552SS**Hα-helixtrans-86.2-41.9-179.9-167116.967.9176.31.2112.1I71 F72 W73 G77I71-R75 PolarHBondContact O-N 2.87Å; F72-R75 PolarHBondContact O-N 2.87Å; F72-R75 VanDerWaalsContact O-N 3.16Å; W73-R75 PolarHBondContact O-N 3.39Å; R75-G77 PolarHBondContact O-N 3.47Å
76N50.8Low62.3Low98 Ų98103.7 Ų103.752%0.52455%0.553SS.*Hα-helixtrans-79.5-14.2-174.5-72.98.4000114.3F72F72-N76 WeakPolarHBondContact CD1-ND2 3.24Å; F72-N76 WeakPolarHBondContact CE1-ND2 3.32Å; F72-N76 PolarHBondContact O-N 3.49Å
77G52.1Low61.2Low61 Ų61109.6 Ų109.663%0.62957%0.568SS**THydrogen-bonded Turntrans-86.8-8177.800000115.6W73 R75W73-G77 PolarHBondContact O-N 2.85Å; R75-G77 PolarHBondContact O-N 3.47Å
78H51.1Low59.8Low124 Ų124108.1 Ų108.157%0.57457%0.568SS**SBendtrans-107.6-3.3-169.6-91.7-43.1000116.2T82H78-T82 PolarHBondContact O-OG1 2.9Å
79D49.8Very low58.4Low123 Ų123110.6 Ų110.666%0.65857%0.57SS**THydrogen-bonded Turntrans-84-13.4-171.9-73-18000114.2
80G54.3Low57.3Low58 Ų58110.9 Ų110.960%0.59857%0.567SS**THydrogen-bonded Turntrans-90.8-33.6176.500000115
81S52.5Low56.5Low74 Ų74110.4 Ų110.452%0.51757%0.567SS.*Hα-helixtrans-86.8-30.1-171177.80000113.4Q85S81-Q85 WeakPolarHBondContact O-CG 3.21Å; S81-Q85 PolarHBondContact O-N 2.86Å
82T55.3Low55.7Low74 Ų74111.8 Ų111.845%0.45458%0.576SS.*Hα-helixtrans-74.5-32.2-177.447.50000112.7H78 Q86H78-T82 PolarHBondContact O-OG1 2.9Å; T82-Q86 WeakPolarHBondContact O-CB 3.27Å; T82-Q86 PolarHBondContact O-N 3.42Å
83D57.8Low55.2Low80 Ų80112.8 Ų112.843%0.42858%0.576SS.*Hα-helixtrans-68.4-40176.4-167.563.9000112.1Q86 R87D83-Q86 PolarHBondContact O-N 3.24Å; D83-R87 WeakPolarHBondContact O-CB 3.3Å; D83-R87 PolarHBondContact O-N 2.94Å; D83-R87 IonicContact OD2-CZ 3.38Å; D83-R87 IonicContact OD2-NE 3.62Å; D83-R87 IonicContact OD2-NH2 2.77Å; D83-R87 PolarHBondContact OD2-NH2 2.9Å
84V58.1Low55.3Low101 Ų101112.5 Ų112.561%0.61258%0.575SS**Hα-helixtrans-67.5-44.3178.1-177.20000111.1Q86 R87 A88V84-Q86 PolarHBondContact O-N 3.32Å; V84-R87 PolarHBondContact O-N 3.43Å; V84-A88 VanDerWaalsContact O-CB 3.32Å; V84-A88 WeakPolarHBondContact O-CB 3.3Å; V84-A88 PolarHBondContact O-N 3.39Å
85Q55Low55.1Low145 Ų145118.1 Ų118.168%0.67858%0.584SS**Hα-helixtrans-63.3-41.1175.4-73.7-92.1-41.700111.5S81 W89S81-Q85 WeakPolarHBondContact O-CG 3.21Å; S81-Q85 PolarHBondContact O-N 2.86Å; Q85-W89 VanDerWaalsContact O-CB 3.28Å; Q85-W89 WeakPolarHBondContact O-CB 3.21Å; Q85-W89 PolarHBondContact O-N 2.79Å
86Q57.7Low55Low111 Ų111115.5 Ų115.552%0.51958%0.579SS.*Hα-helixtrans-74.3-32.1-179.7-167.1149.1-54.200112.7T82 D83 V84 R90T82-Q86 WeakPolarHBondContact O-CB 3.27Å; T82-Q86 PolarHBondContact O-N 3.42Å; D83-Q86 PolarHBondContact O-N 3.24Å; V84-Q86 PolarHBondContact O-N 3.32Å; Q86-R90 WeakPolarHBondContact O-CB 3.45Å; Q86-R90 WeakPolarHBondContact O-CG 3.45Å; Q86-R90 PolarHBondContact O-N 2.82Å
87R61.2Low55.1Low170 Ų170116.6 Ų116.664%0.64258%0.581SS**Hα-helixtrans-70.9-42172.7-169.1175.2-64.8-179.34.3111.5D83 V84 W89 R90 S91D83-R87 WeakPolarHBondContact O-CB 3.3Å; D83-R87 PolarHBondContact O-N 2.94Å; D83-R87 IonicContact OD2-CZ 3.38Å; D83-R87 IonicContact OD2-NE 3.62Å; D83-R87 IonicContact OD2-NH2 2.77Å; D83-R87 PolarHBondContact OD2-NH2 2.9Å; V84-R87 PolarHBondContact O-N 3.43Å; R87-W89 VanDerWaalsContact C-N 3.35Å; R87-R90 PolarHBondContact O-N 3.22Å; R87-S91 PolarHBondContact O-N 3.42Å
88A56.9Low55.2Low57 Ų57116.6 Ų116.647%0.47158%0.581SS.*Hα-helixtrans-62.8-41.2172.100000111.8V84 S91 N92V84-A88 VanDerWaalsContact O-CB 3.32Å; V84-A88 WeakPolarHBondContact O-CB 3.3Å; V84-A88 PolarHBondContact O-N 3.39Å; A88-S91 PolarHBondContact O-N 3.44Å; A88-N92 PolarHBondContact O-N 2.95Å
89W56.4Low55Low158 Ų158116.3 Ų116.360%0.59858%0.583SS**Hα-helixtrans-66.6-41.4177.5-168.883.4000112.9Q85 R87 S91 N92 R93Q85-W89 VanDerWaalsContact O-CB 3.28Å; Q85-W89 WeakPolarHBondContact O-CB 3.21Å; Q85-W89 PolarHBondContact O-N 2.79Å; R87-W89 VanDerWaalsContact C-N 3.35Å; W89-S91 VanDerWaalsContact C-N 3.31Å; W89-S91 PolarHBondContact O-N 2.84Å; W89-N92 PolarHBondContact O-N 3.48Å; W89-R93 PolarHBondContact O-N 2.86Å
90R56.5Low54.9Low164 Ų164120 Ų12062%0.61959%0.587SS**Hα-helixtrans-64.1-34.8174-81.2-172.1-178.8159.41112.7Q86 R87Q86-R90 WeakPolarHBondContact O-CB 3.45Å; Q86-R90 WeakPolarHBondContact O-CG 3.45Å; Q86-R90 PolarHBondContact O-N 2.82Å; R87-R90 PolarHBondContact O-N 3.22Å
91S57.1Low54.7Low79 Ų79122.2 Ų122.255%0.55259%0.594SS**Hα-helixtrans-71.1-40.2177.1-163.80000112.1R87 A88 W89 R93 R94 R95R87-S91 PolarHBondContact O-N 3.42Å; A88-S91 PolarHBondContact O-N 3.44Å; W89-S91 VanDerWaalsContact C-N 3.31Å; W89-S91 PolarHBondContact O-N 2.84Å; S91-R93 VanDerWaalsContact C-N 3.35Å; S91-R93 PolarHBondContact O-N 2.9Å; S91-R94 PolarHBondContact O-N 3.41Å; S91-R95 PolarHBondContact O-N 3.24Å
92N59.1Low54.6Low103 Ų103125.4 Ų125.455%0.55160%0.604SS**Hα-helixtrans-70.5-30177.7-118.3-30.7000113A88 W89 R95 Q96A88-N92 PolarHBondContact O-N 2.95Å; W89-N92 PolarHBondContact O-N 3.48Å; N92-R95 PolarHBondContact O-N 3.47Å; N92-Q96 WeakPolarHBondContact O-CB 3.24Å; N92-Q96 WeakPolarHBondContact O-CG 3.2Å; N92-Q96 PolarHBondContact O-N 3.22Å
93R55.9Low54.2Low140 Ų140127 Ų12753%0.52862%0.617SS.*Hα-helixtrans-66.1-39.8177.2-164.5166.8-168.6172.13.6112.6W89 S91 Q96 E97W89-R93 PolarHBondContact O-N 2.86Å; S91-R93 VanDerWaalsContact C-N 3.35Å; S91-R93 PolarHBondContact O-N 2.9Å; R93-Q96 PolarHBondContact O-N 3.4Å; R93-E97 WeakPolarHBondContact O-CG 3.37Å; R93-E97 PolarHBondContact O-N 2.95Å; R93-E97 VanDerWaalsContact O-N 3.17Å
94R57.3Low53.8Low206 Ų206131.8 Ų131.878%0.77764%0.639SS**Hα-helixtrans-69-35.3175-65.1-167.4-165.1-1714112.9S91S91-R94 PolarHBondContact O-N 3.41Å
95R52.4Low53Low196 Ų196134.7 Ų134.774%0.7465%0.645SS**Hα-helixtrans-68.4-33.6173-96.3-167.5-176.7-1652113.3S91 N92 L99S91-R95 PolarHBondContact O-N 3.24Å; N92-R95 PolarHBondContact O-N 3.47Å; R95-L99 PolarHBondContact O-N 3.27Å
96Q48.4Very low52.8Low103 Ų103133.9 Ų133.948%0.48165%0.65SS.*Hα-helixtrans-73.5-28.6177.1-81.4-85.8-29.300112.9N92 R93 G98 L99 R100N92-Q96 WeakPolarHBondContact O-CB 3.24Å; N92-Q96 WeakPolarHBondContact O-CG 3.2Å; N92-Q96 PolarHBondContact O-N 3.22Å; R93-Q96 PolarHBondContact O-N 3.4Å; Q96-G98 VanDerWaalsContact C-N 3.3Å; Q96-G98 PolarHBondContact O-N 3.37Å; Q96-L99 PolarHBondContact O-N 3.41Å; Q96-R100 WeakPolarHBondContact O-CB 3.16Å; Q96-R100 WeakPolarHBondContact O-CG 3.44Å; Q96-R100 PolarHBondContact O-N 2.98Å
97E52.9Low51.8Low122 Ų122137.7 Ų137.757%0.5767%0.665SS**Hα-helixtrans-68.2-28.8175.2-76.6162-172.500112.4R93R93-E97 WeakPolarHBondContact O-CG 3.37Å; R93-E97 PolarHBondContact O-N 2.95Å; R93-E97 VanDerWaalsContact O-N 3.17Å
98G53.8Low51.1Low61 Ų61139.5 Ų139.563%0.62968%0.678SS**Hα-helixtrans-80.3-20.8172.100000115.4Q96Q96-G98 VanDerWaalsContact C-N 3.3Å; Q96-G98 PolarHBondContact O-N 3.37Å
99L47Very low50.5Low118 Ų118147.4 Ų147.462%0.61870%0.695SS**Hα-helixtrans-99.4-6.5178.4-78.6167.9000113.6R95 Q96 S101 I102R95-L99 PolarHBondContact O-N 3.27Å; Q96-L99 PolarHBondContact O-N 3.41Å; L99-S101 PolarHBondContact O-N 3.26Å; L99-I102 PolarHBondContact O-N 2.87Å; L99-I102 VanDerWaalsContact O-O 3.07Å
100R47.6Very low50Low199 Ų199146 Ų14675%0.75170%0.704SS**THydrogen-bonded Turntrans-74.4-4.7-176.5-96173.1179-139.6-1.9115.2Q96Q96-R100 WeakPolarHBondContact O-CB 3.16Å; Q96-R100 WeakPolarHBondContact O-CG 3.44Å; Q96-R100 PolarHBondContact O-N 2.98Å
101S49.3Very low49.6Very low105 Ų105143 Ų14373%0.73471%0.709SS**THydrogen-bonded Turntrans-90.3-6.3173.258.30000113.9L99L99-S101 PolarHBondContact O-N 3.26Å
102I50.9Low49.2Very low141 Ų141144 Ų14472%0.72372%0.715SS**SBendtrans-136.3127.5-179.3-51.5176.9000109.1L99L99-I102 PolarHBondContact O-N 2.87Å; L99-I102 VanDerWaalsContact O-O 3.07Å
103C46.7Very low48.6Very low108 Ų108148 Ų14873%0.7373%0.728SS**  trans91.174.5175.6-158.30000116.4
104M48.7Very low48.3Very low181 Ų181153.2 Ų153.289%0.89275%0.748SS**  trans-80.799.8140-85.9-88.8105.500107.8
105H41.5Very low47.9Very low162 Ų162145.6 Ų145.675%0.7573%0.733SS**  trans-148.8109.1154.9-98-71.7000111.6
106T50.9Low48.1Very low128 Ų128142.9 Ų142.979%0.78573%0.734SS**  trans31.397.1148.955.90000118.1
107K38.2Very low48.5Very low191 Ų191144.8 Ų144.883%0.8374%0.74SS**  trans-131.793.1147.5-118.2170.9-175.5169.30110R109K107-R109 PolarHBondContact O-N 3.01Å; K107-R109 VanDerWaalsContact O-N 3.08Å
108K46.3Very low48.8Very low208 Ų208144.8 Ų144.890%0.90474%0.743SS**  trans-54.8110.2162.3-83.4-176.2176.2177.20107.6
109R42.5Very low49Very low222 Ų222146.6 Ų146.684%0.83874%0.741SS**  trans-100.9101161.1-74.5-166.7-179.9-166.70.8107.9K107 S111K107-R109 PolarHBondContact O-N 3.01Å; K107-R109 VanDerWaalsContact O-N 3.08Å; R109-S111 PolarHBondContact O-N 2.91Å
110V46.7Very low50.1Low128 Ų128146.1 Ų146.178%0.77674%0.739SS**  trans-70.5106.5159.8178.60000106.2
111S47.4Very low51.2Low103 Ų103143.2 Ų143.272%0.7273%0.732SS**  trans-137.37616062.50000109.6R109 F113R109-S111 PolarHBondContact O-N 2.91Å; S111-F113 VanDerWaalsContact C-N 3.29Å; S111-F113 PolarHBondContact O-N 3.02Å
112S48.6Very low52.3Low99 Ų99142.7 Ų142.769%0.69272%0.721SS**  trans-70.981.9164.249.80000110
113F47.2Very low53.4Low187 Ų187140.1 Ų140.182%0.8271%0.711SS**  trans-111.586.4153.3-98.6-88.4000108.5S111S111-F113 VanDerWaalsContact C-N 3.29Å; S111-F113 PolarHBondContact O-N 3.02Å
114R49.1Very low55Low249 Ų249138.4 Ų138.494%0.9469%0.694SS**  trans-101.952-179.1-165.4-178.4-172.1-121.84.5109.5
115G49.8Very low56.6Low46 Ų46133.7 Ų133.747%0.47468%0.676SS.*SBendtrans-115.9-58.1-178.400000113.6
116N56.8Low58.5Low140 Ų140131.3 Ų131.375%0.74967%0.668SS**THydrogen-bonded Turntrans-100.94.7-166.1-75.89.5000116
117K57Low60.2Low142 Ų142133.1 Ų133.162%0.61766%0.66SS**Hα-helixtrans-77-21.4-176.9-69.7-177.3-176.9175.50113.7K121K117-K121 WeakPolarHBondContact O-CB 3.35Å; K117-K121 VanDerWaalsContact O-CD 3.24Å; K117-K121 WeakPolarHBondContact O-CD 3.47Å; K117-K121 WeakPolarHBondContact O-CG 3.13Å; K117-K121 PolarHBondContact O-N 3.43Å
118I59.1Low62.4Low122 Ų122132.1 Ų132.163%0.62665%0.651SS**Hα-helixtrans-77.7-54.6-177.3-62168.9000109.1L120 K121 D122I118-L120 PolarHBondContact O-N 2.85Å; I118-K121 PolarHBondContact O-N 2.76Å; I118-D122 PolarHBondContact O-N 2.87Å; I118-D122 VanDerWaalsContact O-N 3.1Å
119V58.1Low64.2Low99 Ų99126.5 Ų126.560%0.663%0.628SS**Hα-helixtrans-60.4-43.7-178.9-176.20000112.7K121 D122 V123V119-K121 VanDerWaalsContact C-N 3.35Å; V119-K121 PolarHBondContact O-N 3.32Å; V119-D122 PolarHBondContact O-N 2.96Å; V119-V123 HydrophobicContact CG1-CG2 4.48Å; V119-V123 VanDerWaalsContact O-CG2 3.31Å; V119-V123 WeakPolarHBondContact O-CG2 3.23Å; V119-V123 PolarHBondContact O-N 2.94Å
120L69.8Low66.4Low108 Ų108119.5 Ų119.557%0.56561%0.61SS**Hα-helixtrans-66.8-36.8179.9-176.863.2000112.2I118 D122 I124I118-L120 PolarHBondContact O-N 2.85Å; L120-D122 VanDerWaalsContact C-N 3.34Å; L120-I124 HydrophobicContact CD1-CD1 4.05Å; L120-I124 HydrophobicContact CD1-CG1 4.36Å; L120-I124 HydrophobicContact CG-CD1 3.83Å; L120-I124 WeakPolarHBondContact O-CB 3.44Å; L120-I124 WeakPolarHBondContact O-CD1 3.43Å; L120-I124 WeakPolarHBondContact O-CG1 3.37Å; L120-I124 PolarHBondContact O-N 3.39Å
121K69.9Low68.1Low138 Ų138116.5 Ų116.560%0.659%0.588SS**Hα-helixtrans-63.1-44.3176-79.1175.1-175-176.50110.5K117 I118 V119 I124 T125K117-K121 WeakPolarHBondContact O-CB 3.35Å; K117-K121 VanDerWaalsContact O-CD 3.24Å; K117-K121 WeakPolarHBondContact O-CD 3.47Å; K117-K121 WeakPolarHBondContact O-CG 3.13Å; K117-K121 PolarHBondContact O-N 3.43Å; I118-K121 PolarHBondContact O-N 2.76Å; V119-K121 VanDerWaalsContact C-N 3.35Å; V119-K121 PolarHBondContact O-N 3.32Å; K121-I124 PolarHBondContact O-N 2.85Å; K121-T125 PolarHBondContact O-N 3.42Å; K121-T125 PolarHBondContact O-OG1 3.22Å
122D73.3Confident70.1Confident95 Ų95115.7 Ų115.751%0.50858%0.578SS.*Hα-helixtrans-66.5-38.3-179-65.7-24.5000112.6I118 V119 L120 T125 L126I118-D122 PolarHBondContact O-N 2.87Å; I118-D122 VanDerWaalsContact O-N 3.1Å; V119-D122 PolarHBondContact O-N 2.96Å; L120-D122 VanDerWaalsContact C-N 3.34Å; D122-T125 VanDerWaalsContact CA-OG1 3.27Å; D122-T125 WeakPolarHBondContact CA-OG1 3.37Å; D122-T125 PolarHBondContact O-OG1 3.48Å; D122-T125 VanDerWaalsContact O-OG1 3.08Å; D122-L126 WeakPolarHBondContact O-CB 3.28Å; D122-L126 PolarHBondContact O-N 2.95Å
123V74.1Confident72Confident86 Ų86116.8 Ų116.852%0.52157%0.57SS.*Hα-helixtrans-66.3-39.5173.9173.50000111.3V119 R127V119-V123 HydrophobicContact CG1-CG2 4.48Å; V119-V123 VanDerWaalsContact O-CG2 3.31Å; V119-V123 WeakPolarHBondContact O-CG2 3.23Å; V119-V123 PolarHBondContact O-N 2.94Å; V123-R127 VanDerWaalsContact O-CB 3.28Å; V123-R127 WeakPolarHBondContact O-CB 3.28Å; V123-R127 PolarHBondContact O-N 3.38Å
124I80.4Confident74.1Confident73 Ų73111.4 Ų111.437%0.37455%0.553SS.*Hα-helixtrans-70-41.9178.5-67.5166.5000111.3L120 K121 R127 R128L120-I124 HydrophobicContact CD1-CD1 4.05Å; L120-I124 HydrophobicContact CD1-CG1 4.36Å; L120-I124 HydrophobicContact CG-CD1 3.83Å; L120-I124 WeakPolarHBondContact O-CB 3.44Å; L120-I124 WeakPolarHBondContact O-CD1 3.43Å; L120-I124 WeakPolarHBondContact O-CG1 3.37Å; L120-I124 PolarHBondContact O-N 3.39Å; K121-I124 PolarHBondContact O-N 2.85Å; I124-R127 PolarHBondContact O-N 3.47Å; I124-R128 WeakPolarHBondContact O-CB 3.29Å; I124-R128 VanDerWaalsContact O-CG 3.31Å; I124-R128 WeakPolarHBondContact O-CG 3.33Å; I124-R128 PolarHBondContact O-N 3.43Å
125T83Confident75.8Confident81 Ų81106.7 Ų106.750%0.49754%0.535SS..Hα-helixtrans-65.7-42.217532.40000111.3K121 D122 R128 H129K121-T125 PolarHBondContact O-N 3.42Å; K121-T125 PolarHBondContact O-OG1 3.22Å; D122-T125 VanDerWaalsContact CA-OG1 3.27Å; D122-T125 WeakPolarHBondContact CA-OG1 3.37Å; D122-T125 PolarHBondContact O-OG1 3.48Å; D122-T125 VanDerWaalsContact O-OG1 3.08Å; T125-R128 PolarHBondContact O-N 2.83Å; T125-H129 WeakPolarHBondContact O-CB 3.43Å; T125-H129 PolarHBondContact O-N 3.12Å
126L80.9Confident77.5Confident112 Ų112106.8 Ų106.859%0.58653%0.531SS*.Hα-helixtrans-61.7-45.4175.9-173.865000111.4D122 R128 H129 V130D122-L126 WeakPolarHBondContact O-CB 3.28Å; D122-L126 PolarHBondContact O-N 2.95Å; L126-R128 PolarHBondContact O-N 3.33Å; L126-H129 PolarHBondContact O-N 3.26Å; L126-V130 WeakPolarHBondContact O-CG2 3.3Å; L126-V130 PolarHBondContact O-N 2.84Å
127R86.8Confident78.9Confident167 Ų167107.6 Ų107.663%0.6353%0.528SS*.Hα-helixtrans-58.7-46.8175.5-177.1179.7171-136.5-13.6111.6V123 I124 H129 V130 E131V123-R127 VanDerWaalsContact O-CB 3.28Å; V123-R127 WeakPolarHBondContact O-CB 3.28Å; V123-R127 PolarHBondContact O-N 3.38Å; I124-R127 PolarHBondContact O-N 3.47Å; R127-H129 VanDerWaalsContact C-N 3.33Å; R127-H129 PolarHBondContact O-N 3.31Å; R127-V130 PolarHBondContact O-N 3.03Å; R127-E131 IonicContact CZ-OE1 3.24Å; R127-E131 VanDerWaalsContact CZ-OE1 3.24Å; R127-E131 IonicContact NE-OE1 3.07Å; R127-E131 PolarHBondContact NE-OE1 3.36Å; R127-E131 VanDerWaalsContact NE-OE1 3.07Å; R127-E131 IonicContact NH2-OE1 3.91Å; R127-E131 PolarHBondContact NH2-OE1 2.84Å; R127-E131 WeakPolarHBondContact O-CB 3.38Å; R127-E131 WeakPolarHBondContact O-CG 3.43Å; R127-E131 PolarHBondContact O-N 3.34Å
128R84.6Confident80.2Confident170 Ų170105.8 Ų105.864%0.64252%0.524SS*.Hα-helixtrans-61.3-41.7177.1-75.1176.7178.3-176.90.6111.9I124 T125 L126 E131 T132I124-R128 WeakPolarHBondContact O-CB 3.29Å; I124-R128 VanDerWaalsContact O-CG 3.31Å; I124-R128 WeakPolarHBondContact O-CG 3.33Å; I124-R128 PolarHBondContact O-N 3.43Å; T125-R128 PolarHBondContact O-N 2.83Å; L126-R128 PolarHBondContact O-N 3.33Å; R128-E131 PolarHBondContact O-N 3.27Å; R128-T132 WeakPolarHBondContact O-CG2 3.01Å; R128-T132 PolarHBondContact O-N 3.27Å; R128-T132 PolarHBondContact O-OG1 2.91Å
129H84.2Confident81.2Confident89 Ų89108.7 Ų108.741%0.41253%0.527SS..Hα-helixtrans-66.3-39.2178.5173.7-102.6000112.8T125 L126 R127 T132 K133T125-H129 WeakPolarHBondContact O-CB 3.43Å; T125-H129 PolarHBondContact O-N 3.12Å; L126-H129 PolarHBondContact O-N 3.26Å; R127-H129 VanDerWaalsContact C-N 3.33Å; R127-H129 PolarHBondContact O-N 3.31Å; H129-T132 PolarHBondContact O-OG1 3.12Å; H129-K133 VanDerWaalsContact CE1-CE 3.42Å; H129-K133 WeakPolarHBondContact CE1-CE 3.3Å; H129-K133 VanDerWaalsContact NE2-CE 3.34Å; H129-K133 WeakPolarHBondContact NE2-CE 3.04Å; H129-K133 PolarHBondContact O-N 3.07Å; H129-K133 VanDerWaalsContact O-N 3.11Å
130V88.1Confident82.3Confident76 Ų76111.4 Ų111.446%0.46153%0.531SS..Hα-helixtrans-67-43.8174.1173.70000110.6L126 R127 T132 K133 V134L126-V130 WeakPolarHBondContact O-CG2 3.3Å; L126-V130 PolarHBondContact O-N 2.84Å; R127-V130 PolarHBondContact O-N 3.03Å; V130-T132 PolarHBondContact O-N 3.11Å; V130-K133 PolarHBondContact O-N 2.85Å; V130-V134 HydrophobicContact CG1-CG2 4.34Å; V130-V134 WeakPolarHBondContact O-CG2 2.96Å; V130-V134 PolarHBondContact O-N 3.46Å
131E82.4Confident82.5Confident65 Ų65115.2 Ų115.230%0.30454%0.538SS..Hα-helixtrans-61.6-40.2177.7-76-175-172.300112.4R127 R128 V134 R135R127-E131 IonicContact CZ-OE1 3.24Å; R127-E131 VanDerWaalsContact CZ-OE1 3.24Å; R127-E131 IonicContact NE-OE1 3.07Å; R127-E131 PolarHBondContact NE-OE1 3.36Å; R127-E131 VanDerWaalsContact NE-OE1 3.07Å; R127-E131 IonicContact NH2-OE1 3.91Å; R127-E131 PolarHBondContact NH2-OE1 2.84Å; R127-E131 WeakPolarHBondContact O-CB 3.38Å; R127-E131 WeakPolarHBondContact O-CG 3.43Å; R127-E131 PolarHBondContact O-N 3.34Å; R128-E131 PolarHBondContact O-N 3.27Å; E131-V134 PolarHBondContact O-N 3.46Å; E131-R135 WeakPolarHBondContact O-CB 3.47Å; E131-R135 WeakPolarHBondContact O-CG 2.79Å; E131-R135 PolarHBondContact O-N 2.79Å
132T89.4Confident82.8Confident85 Ų85115.6 Ų115.652%0.52154%0.539SS..Hα-helixtrans-67.1-40.4175.956.10000111.8R128 H129 V130 R135 A136R128-T132 WeakPolarHBondContact O-CG2 3.01Å; R128-T132 PolarHBondContact O-N 3.27Å; R128-T132 PolarHBondContact O-OG1 2.91Å; H129-T132 PolarHBondContact O-OG1 3.12Å; V130-T132 PolarHBondContact O-N 3.11Å; T132-R135 PolarHBondContact O-N 2.93Å; T132-A136 VanDerWaalsContact O-CB 3.3Å; T132-A136 WeakPolarHBondContact O-CB 3.39Å; T132-A136 PolarHBondContact O-N 3.39Å
133K88.8Confident82.8Confident122 Ų122115 Ų11553%0.5354%0.539SS..Hα-helixtrans-62.5-42.6174.1-80.7-166.7173.7-179.10112.4H129 V130 A136 K137H129-K133 VanDerWaalsContact CE1-CE 3.42Å; H129-K133 WeakPolarHBondContact CE1-CE 3.3Å; H129-K133 VanDerWaalsContact NE2-CE 3.34Å; H129-K133 WeakPolarHBondContact NE2-CE 3.04Å; H129-K133 PolarHBondContact O-N 3.07Å; H129-K133 VanDerWaalsContact O-N 3.11Å; V130-K133 PolarHBondContact O-N 2.85Å; K133-A136 PolarHBondContact O-N 2.84Å; K133-K137 WeakPolarHBondContact O-CG 3.39Å; K133-K137 PolarHBondContact O-N 3.39Å
134V91Very high82.2Confident74 Ų74114.3 Ų114.345%0.44854%0.535SS..Hα-helixtrans-65.3-45.9176.6171.90000110.5V130 E131 A136 K137 I138V130-V134 HydrophobicContact CG1-CG2 4.34Å; V130-V134 WeakPolarHBondContact O-CG2 2.96Å; V130-V134 PolarHBondContact O-N 3.46Å; E131-V134 PolarHBondContact O-N 3.46Å; V134-A136 VanDerWaalsContact C-N 3.34Å; V134-A136 PolarHBondContact O-N 2.86Å; V134-K137 PolarHBondContact O-N 3.46Å; V134-I138 HydrophobicContact CG1-CD1 3.75Å; V134-I138 HydrophobicContact CG1-CG1 4.39Å; V134-I138 VanDerWaalsContact O-CG1 3.3Å; V134-I138 WeakPolarHBondContact O-CG1 3.37Å; V134-I138 PolarHBondContact O-N 3.47Å
135R85.1Confident81.5Confident150 Ų150115 Ų11557%0.56654%0.543SS*.Hα-helixtrans-61-40.8175.9-72.9174.8-173.3-151.44.4112.2E131 T132 I138 R139E131-R135 WeakPolarHBondContact O-CB 3.47Å; E131-R135 WeakPolarHBondContact O-CG 2.79Å; E131-R135 PolarHBondContact O-N 2.79Å; T132-R135 PolarHBondContact O-N 2.93Å; R135-I138 PolarHBondContact O-N 3.39Å; R135-R139 WeakPolarHBondContact O-CB 3.26Å; R135-R139 WeakPolarHBondContact O-CG 3.29Å; R135-R139 PolarHBondContact O-N 2.85Å
136A85.8Confident80.4Confident48 Ų48118.1 Ų118.140%0.39755%0.549SS..Hα-helixtrans-64.5-42.3175.700000111.7T132 K133 V134 R139 K140T132-A136 VanDerWaalsContact O-CB 3.3Å; T132-A136 WeakPolarHBondContact O-CB 3.39Å; T132-A136 PolarHBondContact O-N 3.39Å; K133-A136 PolarHBondContact O-N 2.84Å; V134-A136 VanDerWaalsContact C-N 3.34Å; V134-A136 PolarHBondContact O-N 2.86Å; A136-R139 PolarHBondContact O-N 3.4Å; A136-K140 WeakPolarHBondContact O-CB 3.3Å; A136-K140 WeakPolarHBondContact O-CG 3.45Å; A136-K140 PolarHBondContact O-N 3.37Å
137K84.7Confident79.3Confident158 Ų158117.8 Ų117.869%0.68755%0.547SS*.Hα-helixtrans-62.9-43173.6-78.5-177.7177.4-176.40112.1K133 V134 K140 R141K133-K137 WeakPolarHBondContact O-CG 3.39Å; K133-K137 PolarHBondContact O-N 3.39Å; V134-K137 PolarHBondContact O-N 3.46Å; K137-K140 PolarHBondContact O-N 2.96Å; K137-R141 VanDerWaalsContact O-CB 3.29Å; K137-R141 WeakPolarHBondContact O-CB 3.38Å; K137-R141 PolarHBondContact O-N 3.14Å
138I84.3Confident77.9Confident103 Ų103115.3 Ų115.353%0.52855%0.547SS..Hα-helixtrans-63.2-44.4176.3-68.3166.6000110.6V134 R135 R141 K142V134-I138 HydrophobicContact CG1-CD1 3.75Å; V134-I138 HydrophobicContact CG1-CG1 4.39Å; V134-I138 VanDerWaalsContact O-CG1 3.3Å; V134-I138 WeakPolarHBondContact O-CG1 3.37Å; V134-I138 PolarHBondContact O-N 3.47Å; R135-I138 PolarHBondContact O-N 3.39Å; I138-R141 PolarHBondContact O-N 3.5Å; I138-K142 VanDerWaalsContact O-CB 3.3Å; I138-K142 WeakPolarHBondContact O-CB 3.49Å; I138-K142 PolarHBondContact O-N 2.96Å
139R81.4Confident76.6Confident183 Ų183112.8 Ų112.869%0.69154%0.542SS*.Hα-helixtrans-62.6-47.3175.9-74.9178-178.8179.9-0.7111.6R135 A136 R141 K142 V143R135-R139 WeakPolarHBondContact O-CB 3.26Å; R135-R139 WeakPolarHBondContact O-CG 3.29Å; R135-R139 PolarHBondContact O-N 2.85Å; A136-R139 PolarHBondContact O-N 3.4Å; R139-R141 PolarHBondContact O-N 3.47Å; R139-K142 PolarHBondContact O-N 3.38Å; R139-V143 WeakPolarHBondContact O-CB 3.39Å; R139-V143 VanDerWaalsContact O-CG2 3.26Å; R139-V143 WeakPolarHBondContact O-CG2 3.35Å; R139-V143 PolarHBondContact O-N 2.98Å
140K80.1Confident75.1Confident156 Ų156116.3 Ų116.368%0.67856%0.558SS**Hα-helixtrans-57.5-47.7174.8-76.6-172.3179.1-168.20111.1A136 K137 K142 V143 T144A136-K140 WeakPolarHBondContact O-CB 3.3Å; A136-K140 WeakPolarHBondContact O-CG 3.45Å; A136-K140 PolarHBondContact O-N 3.37Å; K137-K140 PolarHBondContact O-N 2.96Å; K140-K142 PolarHBondContact O-N 3.17Å; K140-V143 PolarHBondContact O-N 3.32Å; K140-T144 WeakPolarHBondContact O-CG2 3.46Å; K140-T144 PolarHBondContact O-N 2.75Å; K140-T144 PolarHBondContact O-OG1 3.08Å; K140-T144 VanDerWaalsContact O-OG1 3.11Å
141R74.6Confident73.5Confident189 Ų189118.7 Ų118.771%0.71357%0.568SS**Hα-helixtrans-61-44.1177.5-165.3177.9-176.1-155.21.5111.9K137 I138 R139 T144 T145K137-R141 VanDerWaalsContact O-CB 3.29Å; K137-R141 WeakPolarHBondContact O-CB 3.38Å; K137-R141 PolarHBondContact O-N 3.14Å; I138-R141 PolarHBondContact O-N 3.5Å; R139-R141 PolarHBondContact O-N 3.47Å; R141-T144 VanDerWaalsContact CA-OG1 3.29Å; R141-T144 WeakPolarHBondContact CA-OG1 3.48Å; R141-T144 PolarHBondContact O-N 3.22Å; R141-T144 PolarHBondContact O-OG1 3.27Å; R141-T145 WeakPolarHBondContact O-CB 3.46Å; R141-T145 PolarHBondContact O-N 3.47Å; R141-T145 PolarHBondContact O-OG1 2.83Å
142K75.4Confident72.3Confident145 Ų145122.8 Ų122.863%0.6359%0.585SS**Hα-helixtrans-65.3-37.8177.4-171.7171.9-176.7176.80112.2I138 R139 K140 K146I138-K142 VanDerWaalsContact O-CB 3.3Å; I138-K142 WeakPolarHBondContact O-CB 3.49Å; I138-K142 PolarHBondContact O-N 2.96Å; R139-K142 PolarHBondContact O-N 3.38Å; K140-K142 PolarHBondContact O-N 3.17Å; K142-K146 WeakPolarHBondContact O-CB 3.35Å; K142-K146 PolarHBondContact O-N 3.2Å
143V73Confident70.7Confident83 Ų83126.3 Ų126.350%0.50360%0.599SS.*Hα-helixtrans-66.3-47.7173.7169.90000110.4R139 K140 T145 K146 I147R139-V143 WeakPolarHBondContact O-CB 3.39Å; R139-V143 VanDerWaalsContact O-CG2 3.26Å; R139-V143 WeakPolarHBondContact O-CG2 3.35Å; R139-V143 PolarHBondContact O-N 2.98Å; K140-V143 PolarHBondContact O-N 3.32Å; V143-T145 VanDerWaalsContact C-N 3.32Å; V143-T145 PolarHBondContact O-N 3.42Å; V143-K146 WeakPolarHBondContact O-CB 3.38Å; V143-K146 PolarHBondContact O-N 3.09Å; V143-K146 VanDerWaalsContact O-N 3.14Å; V143-I147 HydrophobicContact CG1-CD1 3.77Å; V143-I147 HydrophobicContact CG1-CG1 4.42Å; V143-I147 VanDerWaalsContact O-CG1 3.29Å; V143-I147 WeakPolarHBondContact O-CG1 3.22Å; V143-I147 PolarHBondContact O-N 3.09Å
144T62.9Low69.1Low71 Ų71124.5 Ų124.544%0.43660%0.595SS.*Hα-helixtrans-63.6-36.6176.753.50000112.4K140 R141 I147 N148K140-T144 WeakPolarHBondContact O-CG2 3.46Å; K140-T144 PolarHBondContact O-N 2.75Å; K140-T144 PolarHBondContact O-OG1 3.08Å; K140-T144 VanDerWaalsContact O-OG1 3.11Å; R141-T144 VanDerWaalsContact CA-OG1 3.29Å; R141-T144 WeakPolarHBondContact CA-OG1 3.48Å; R141-T144 PolarHBondContact O-N 3.22Å; R141-T144 PolarHBondContact O-OG1 3.27Å; T144-I147 PolarHBondContact O-N 3.12Å; T144-N148 WeakPolarHBondContact O-CB 3.29Å; T144-N148 VanDerWaalsContact O-CG 3.28Å; T144-N148 PolarHBondContact O-N 3.04Å; T144-N148 PolarHBondContact O-ND2 3.49Å
145T65.3Low67.3Low87 Ų87124 Ų12453%0.53461%0.605SS.*Hα-helixtrans-68.8-34.7174.8-59.10000111.8R141 V143 H149R141-T145 WeakPolarHBondContact O-CB 3.46Å; R141-T145 PolarHBondContact O-N 3.47Å; R141-T145 PolarHBondContact O-OG1 2.83Å; V143-T145 VanDerWaalsContact C-N 3.32Å; V143-T145 PolarHBondContact O-N 3.42Å; T145-H149 PolarHBondContact O-N 3.24Å; T145-H149 VanDerWaalsContact O-N 3.12Å
146K58.8Low65.8Low147 Ų147125.4 Ų125.464%0.63962%0.615SS**Hα-helixtrans-68.1-41.1171.8-92.4-168.6166.8-166.40112.4K142 V143 N148 H149 H150K142-K146 WeakPolarHBondContact O-CB 3.35Å; K142-K146 PolarHBondContact O-N 3.2Å; V143-K146 WeakPolarHBondContact O-CB 3.38Å; V143-K146 PolarHBondContact O-N 3.09Å; V143-K146 VanDerWaalsContact O-N 3.14Å; K146-N148 VanDerWaalsContact C-N 3.31Å; K146-N148 PolarHBondContact O-N 2.97Å; K146-H149 WeakPolarHBondContact O-CB 3.41Å; K146-H149 PolarHBondContact O-N 3.49Å; K146-H150 PolarHBondContact O-N 3.15Å
147I58.9Low64.2Low106 Ų106132.3 Ų132.354%0.54463%0.631SS.*Hα-helixtrans-60.1-44.3174.4-67.1165.5000109.6V143 T144 H149 H150V143-I147 HydrophobicContact CG1-CD1 3.77Å; V143-I147 HydrophobicContact CG1-CG1 4.42Å; V143-I147 VanDerWaalsContact O-CG1 3.29Å; V143-I147 WeakPolarHBondContact O-CG1 3.22Å; V143-I147 PolarHBondContact O-N 3.09Å; T144-I147 PolarHBondContact O-N 3.12Å; I147-H149 PolarHBondContact O-N 3.06Å; I147-H150 PolarHBondContact O-N 3.01Å; I147-H150 VanDerWaalsContact O-N 3.09Å
148N56.2Low62.8Low115 Ų115132.3 Ų132.362%0.61563%0.631SS**THydrogen-bonded Turntrans-67.2-16.1174.3-70.6-19.5000114.5T144 K146T144-N148 WeakPolarHBondContact O-CB 3.29Å; T144-N148 VanDerWaalsContact O-CG 3.28Å; T144-N148 PolarHBondContact O-N 3.04Å; T144-N148 PolarHBondContact O-ND2 3.49Å; K146-N148 VanDerWaalsContact C-N 3.31Å; K146-N148 PolarHBondContact O-N 2.97Å
149H57.4Low61.7Low117 Ų117130.7 Ų130.754%0.54263%0.629SS.*THydrogen-bonded Turntrans-86.4-17.1173.8-15977.7000112.8T145 K146 I147 D151 K152T145-H149 PolarHBondContact O-N 3.24Å; T145-H149 VanDerWaalsContact O-N 3.12Å; K146-H149 WeakPolarHBondContact O-CB 3.41Å; K146-H149 PolarHBondContact O-N 3.49Å; I147-H149 PolarHBondContact O-N 3.06Å; H149-D151 VanDerWaalsContact C-N 3.34Å; H149-K152 PolarHBondContact CE1-NZ 3.02Å; H149-K152 PolarHBondContact NE2-NZ 3.14Å
150H53.5Low61.2Low162 Ų162124 Ų12475%0.7561%0.613SS**SBendtrans-82.5-7.3176.7-107.8-78.4000114K146 I147 K152K146-H150 PolarHBondContact O-N 3.15Å; I147-H150 PolarHBondContact O-N 3.01Å; I147-H150 VanDerWaalsContact O-N 3.09Å; H150-K152 PolarHBondContact O-N 3.32Å
151D54.2Low61Low126 Ų126125.2 Ų125.267%0.67461%0.613SS**  trans-74.520.3169-80-14.2000113.9H149 I153H149-D151 VanDerWaalsContact C-N 3.34Å; D151-I153 PolarHBondContact O-N 3.03Å
152K56.9Low61.1Low152 Ų152123.4 Ų123.466%0.66161%0.611SS**  trans-78.545170.9-86-179170.61770112.2H149 H150H149-K152 PolarHBondContact CE1-NZ 3.02Å; H149-K152 PolarHBondContact NE2-NZ 3.14Å; H150-K152 PolarHBondContact O-N 3.32Å
153I56.7Low61.2Low158 Ų158122.4 Ų122.481%0.8161%0.608SS**  trans-138.960.8166.3-45.9178.4000110.3D151D151-I153 PolarHBondContact O-N 3.03Å
154N54.3Low62Low84 Ų84125 Ų12545%0.44961%0.613SS.*  trans-159.960.5144.2-138.2-30.5000112.3K156 R157N154-K156 PolarHBondContact O-N 2.72Å; N154-R157 HydrophobicContact CB-CB 4.41Å; N154-R157 PolarHBondContact O-N 2.77Å
155G53.2Low63.3Low64 Ų64126.9 Ų126.966%0.6662%0.618SS**Hα-helixtrans-58-28176.100000113.6S159G155-S159 PolarHBondContact O-N 2.97Å; G155-S159 PolarHBondContact O-OG 3.3Å
156K53.8Low64.3Low180 Ų180128.9 Ų128.978%0.78362%0.619SS**Hα-helixtrans-75.8-34.3-178.9-71.3-171.8177.5-177.60114N154 S159 A160N154-K156 PolarHBondContact O-N 2.72Å; K156-S159 PolarHBondContact O-OG 3.45Å; K156-A160 PolarHBondContact O-N 3.17Å
157R53.6Low65.8Low192 Ų192127 Ų12773%0.72561%0.613SS**Hα-helixtrans-77.4-30.7-178.6-150.2173.8-168.3164.33.1112.6N154 R161N154-R157 HydrophobicContact CB-CB 4.41Å; N154-R157 PolarHBondContact O-N 2.77Å; R157-R161 WeakPolarHBondContact O-CB 3.42Å; R157-R161 PolarHBondContact O-N 3.39Å
158K54.8Low67.4Low159 Ų159131.1 Ų131.169%0.69162%0.621SS**Hα-helixtrans-74.4-37.6177.3-68.4-172.3-178.4177.60112.3K162K158-K162 WeakPolarHBondContact O-CB 3.37Å; K158-K162 PolarHBondContact O-N 2.9Å
159S61.7Low69.1Low68 Ų68128.3 Ų128.348%0.47662%0.615SS.*Hα-helixtrans-66.8-45.3174.556.50000111.8G155 K156 R161 K162 Q163G155-S159 PolarHBondContact O-N 2.97Å; G155-S159 PolarHBondContact O-OG 3.3Å; K156-S159 PolarHBondContact O-OG 3.45Å; S159-R161 PolarHBondContact O-N 3.29Å; S159-K162 PolarHBondContact O-N 3.31Å; S159-Q163 VanDerWaalsContact O-CB 3.3Å; S159-Q163 WeakPolarHBondContact O-CB 3.41Å; S159-Q163 PolarHBondContact O-N 3.02Å
160A71Confident70.7Confident44 Ų44127 Ų12736%0.36461%0.609SS.*Hα-helixtrans-62.3-42.617800000113K156 K164K156-A160 PolarHBondContact O-N 3.17Å; A160-K164 WeakPolarHBondContact O-CB 3.2Å; A160-K164 WeakPolarHBondContact O-CG 3.41Å; A160-K164 PolarHBondContact O-N 3.45Å
161R74.6Confident72.5Confident180 Ų180122.9 Ų122.968%0.67959%0.59SS**Hα-helixtrans-67.2-39.8176.1-168.9177.8177.8174.30.2111.7R157 S159 K164 M165R157-R161 WeakPolarHBondContact O-CB 3.42Å; R157-R161 PolarHBondContact O-N 3.39Å; S159-R161 PolarHBondContact O-N 3.29Å; R161-K164 PolarHBondContact O-N 2.9Å; R161-M165 HydrophobicContact CG-CE 4.23Å; R161-M165 WeakPolarHBondContact O-CG 3.44Å; R161-M165 PolarHBondContact O-N 3.39Å
162K77.9Confident74.4Confident152 Ų152122.2 Ų122.266%0.66159%0.585SS**Hα-helixtrans-67-40.6177.4-166.1177.2-178.4-175.50111.7K158 S159 M165 F166K158-K162 WeakPolarHBondContact O-CB 3.37Å; K158-K162 PolarHBondContact O-N 2.9Å; S159-K162 PolarHBondContact O-N 3.31Å; K162-M165 PolarHBondContact O-N 3.26Å; K162-F166 WeakPolarHBondContact O-CB 3.45Å; K162-F166 PolarHBondContact O-N 2.96Å
163Q77.6Confident75.9Confident123 Ų123123.2 Ų123.258%0.57559%0.585SS**Hα-helixtrans-65.6-41.1175.2-167.3173.66.200111.7S159 F166 Q167S159-Q163 VanDerWaalsContact O-CB 3.3Å; S159-Q163 WeakPolarHBondContact O-CB 3.41Å; S159-Q163 PolarHBondContact O-N 3.02Å; Q163-F166 PolarHBondContact O-N 3.34Å; Q163-Q167 WeakPolarHBondContact O-CB 3.26Å; Q163-Q167 WeakPolarHBondContact O-CG 3.44Å; Q163-Q167 PolarHBondContact O-N 3.3Å
164K88.2Confident77.3Confident139 Ų139123.2 Ų123.260%0.60458%0.575SS**Hα-helixtrans-62.9-39.8172.4-76.9-178.4179.4-173.50112.8A160 R161 R168A160-K164 WeakPolarHBondContact O-CB 3.2Å; A160-K164 WeakPolarHBondContact O-CG 3.41Å; A160-K164 PolarHBondContact O-N 3.45Å; R161-K164 PolarHBondContact O-N 2.9Å; K164-R168 WeakPolarHBondContact O-CB 3.42Å; K164-R168 WeakPolarHBondContact O-CG 3.46Å; K164-R168 PolarHBondContact O-N 3.45Å
165M90.5Very high78.8Confident109 Ų109126.4 Ų126.454%0.53758%0.581SS.*Hα-helixtrans-67.3-39175-73.3-174.4-63.300111.8R161 K162 R168 A169R161-M165 HydrophobicContact CG-CE 4.23Å; R161-M165 WeakPolarHBondContact O-CG 3.44Å; R161-M165 PolarHBondContact O-N 3.39Å; K162-M165 PolarHBondContact O-N 3.26Å; M165-R168 PolarHBondContact O-N 3.23Å; M165-A169 WeakPolarHBondContact O-CB 3.35Å; M165-A169 PolarHBondContact O-N 3.29Å
166F87.1Confident80.3Confident129 Ų129126.2 Ų126.257%0.56657%0.573SS**Hα-helixtrans-65.4-43.9175.9-172.6-105.4000112.1K162 Q163 R168 A169 Q170K162-F166 WeakPolarHBondContact O-CB 3.45Å; K162-F166 PolarHBondContact O-N 2.96Å; Q163-F166 PolarHBondContact O-N 3.34Å; F166-R168 PolarHBondContact O-N 3.26Å; F166-A169 PolarHBondContact O-N 3.34Å; F166-Q170 HydrophobicContact CE1-CG 4.27Å; F166-Q170 HydrophobicContact CZ-CG 4.46Å; F166-Q170 WeakPolarHBondContact O-CG 3.02Å; F166-Q170 PolarHBondContact O-N 2.96Å
167Q90.3Very high81.6Confident109 Ų109121.7 Ų121.751%0.50956%0.555SS.*Hα-helixtrans-61-43.7173.3-76.3177.1-15.800111.9Q163 A169 Q170 E171Q163-Q167 WeakPolarHBondContact O-CB 3.26Å; Q163-Q167 WeakPolarHBondContact O-CG 3.44Å; Q163-Q167 PolarHBondContact O-N 3.3Å; Q167-A169 VanDerWaalsContact C-N 3.34Å; Q167-A169 PolarHBondContact O-N 3.49Å; Q167-Q170 PolarHBondContact O-N 3.29Å; Q167-E171 WeakPolarHBondContact O-CB 3.33Å; Q167-E171 PolarHBondContact O-N 3.01Å
168R92Very high83Confident191 Ų191116.3 Ų116.372%0.72154%0.54SS*.Hα-helixtrans-63.1-38.8175.1-79-175.6179.6-167.2-1.3112.7K164 M165 F166 E171 L172K164-R168 WeakPolarHBondContact O-CB 3.42Å; K164-R168 WeakPolarHBondContact O-CG 3.46Å; K164-R168 PolarHBondContact O-N 3.45Å; M165-R168 PolarHBondContact O-N 3.23Å; F166-R168 PolarHBondContact O-N 3.26Å; R168-E171 PolarHBondContact O-N 3.19Å; R168-L172 WeakPolarHBondContact O-CG 3.43Å; R168-L172 PolarHBondContact O-N 3.07Å
169A91.4Very high83.9Confident57 Ų57115.6 Ų115.647%0.47153%0.534SS..Hα-helixtrans-65.7-40.117600000111.8M165 F166 Q167 L172 R173M165-A169 WeakPolarHBondContact O-CB 3.35Å; M165-A169 PolarHBondContact O-N 3.29Å; F166-A169 PolarHBondContact O-N 3.34Å; Q167-A169 VanDerWaalsContact C-N 3.34Å; Q167-A169 PolarHBondContact O-N 3.49Å; A169-L172 PolarHBondContact O-N 2.98Å; A169-R173 WeakPolarHBondContact O-CB 3.45Å; A169-R173 PolarHBondContact O-N 3.45Å
170Q91.7Very high84.4Confident90 Ų90118 Ų11842%0.42154%0.538SS..Hα-helixtrans-65.1-40.3174.1-73.9-173.7-23.200112.3F166 Q167 R173 R174F166-Q170 HydrophobicContact CE1-CG 4.27Å; F166-Q170 HydrophobicContact CZ-CG 4.46Å; F166-Q170 WeakPolarHBondContact O-CG 3.02Å; F166-Q170 PolarHBondContact O-N 2.96Å; Q167-Q170 PolarHBondContact O-N 3.29Å; Q170-R173 WeakPolarHBondContact O-CB 3.43Å; Q170-R173 PolarHBondContact O-N 3.36Å; Q170-R174 WeakPolarHBondContact O-CG 3.47Å; Q170-R174 PolarHBondContact O-N 3.37Å
171E92.2Very high84.3Confident75 Ų75120.2 Ų120.235%0.3554%0.539SS..Hα-helixtrans-64.7-43.6176.2178.660.6-16600112Q167 R168 R173 R174 R175Q167-E171 WeakPolarHBondContact O-CB 3.33Å; Q167-E171 PolarHBondContact O-N 3.01Å; R168-E171 PolarHBondContact O-N 3.19Å; E171-R173 VanDerWaalsContact C-N 3.29Å; E171-R173 PolarHBondContact O-N 2.96Å; E171-R174 PolarHBondContact O-N 3.24Å; E171-R175 WeakPolarHBondContact O-CG 3.38Å; E171-R175 PolarHBondContact O-N 3.13Å; E171-R175 IonicContact OE1-CZ 2.76Å; E171-R175 VanDerWaalsContact OE1-CZ 3.27Å; E171-R175 IonicContact OE1-NE 3.02Å; E171-R175 PolarHBondContact OE1-NE 2.85Å; E171-R175 IonicContact OE1-NH2 3.91Å; E171-R175 PolarHBondContact OE1-NH2 3.46Å
172L92.8Very high84Confident111 Ų111117.2 Ų117.258%0.58154%0.544SS*.Hα-helixtrans-61.4-38.9174.4-74.4171.8000112R168 A169 R175 A176R168-L172 WeakPolarHBondContact O-CG 3.43Å; R168-L172 PolarHBondContact O-N 3.07Å; A169-L172 PolarHBondContact O-N 2.98Å; L172-R175 PolarHBondContact O-N 2.97Å; L172-A176 WeakPolarHBondContact O-CB 3.48Å; L172-A176 PolarHBondContact O-N 3.24Å
173R88.4Confident83.7Confident174 Ų174116.4 Ų116.466%0.65754%0.541SS*.Hα-helixtrans-63-45.9174.9-178.3178.1173.3165.43.7111.7A169 Q170 E171 R175 A176 E177A169-R173 WeakPolarHBondContact O-CB 3.45Å; A169-R173 PolarHBondContact O-N 3.45Å; Q170-R173 WeakPolarHBondContact O-CB 3.43Å; Q170-R173 PolarHBondContact O-N 3.36Å; E171-R173 VanDerWaalsContact C-N 3.29Å; E171-R173 PolarHBondContact O-N 2.96Å; R173-R175 VanDerWaalsContact C-N 3.35Å; R173-R175 PolarHBondContact O-N 2.99Å; R173-A176 PolarHBondContact O-N 2.94Å; R173-E177 WeakPolarHBondContact CG-OE1 3.47Å; R173-E177 IonicContact CZ-OE1 2.89Å; R173-E177 IonicContact NE-OE1 3.27Å; R173-E177 PolarHBondContact NE-OE1 3.41Å; R173-E177 IonicContact NH2-OE1 2.87Å; R173-E177 WeakPolarHBondContact O-CG 3.44Å; R173-E177 PolarHBondContact O-N 2.97Å
174R86.6Confident83.2Confident158 Ų158112.1 Ų112.160%0.59652%0.521SS*.Hα-helixtrans-60.4-43.6176-73.2179.7179.1-178.6-1.2111.7Q170 E171 A176 E177 D178Q170-R174 WeakPolarHBondContact O-CG 3.47Å; Q170-R174 PolarHBondContact O-N 3.37Å; E171-R174 PolarHBondContact O-N 3.24Å; R174-A176 VanDerWaalsContact C-N 3.35Å; R174-A176 PolarHBondContact O-N 3.43Å; R174-E177 PolarHBondContact O-N 3.47Å; R174-D178 WeakPolarHBondContact O-CB 3.46Å; R174-D178 VanDerWaalsContact O-CG 3.3Å; R174-D178 PolarHBondContact O-N 3.31Å
175R86.3Confident82.5Confident150 Ų150108.8 Ų108.857%0.56651%0.514SS*.Hα-helixtrans-63.1-38.4175.5-71.8-178.9-166.5173.10.6113.3E171 L172 R173 D178 Y179E171-R175 WeakPolarHBondContact O-CG 3.38Å; E171-R175 PolarHBondContact O-N 3.13Å; E171-R175 IonicContact OE1-CZ 2.76Å; E171-R175 VanDerWaalsContact OE1-CZ 3.27Å; E171-R175 IonicContact OE1-NE 3.02Å; E171-R175 PolarHBondContact OE1-NE 2.85Å; E171-R175 IonicContact OE1-NH2 3.91Å; E171-R175 PolarHBondContact OE1-NH2 3.46Å; L172-R175 PolarHBondContact O-N 2.97Å; R173-R175 VanDerWaalsContact C-N 3.35Å; R173-R175 PolarHBondContact O-N 2.99Å; R175-D178 PolarHBondContact O-N 2.94Å; R175-Y179 VanDerWaalsContact O-CB 3.26Å; R175-Y179 WeakPolarHBondContact O-CB 3.5Å; R175-Y179 PolarHBondContact O-N 3.45Å
176A83.9Confident81.4Confident61 Ų61108.4 Ų108.450%0.50452%0.52SS..Hα-helixtrans-66.4-41.7175.400000111.6L172 R173 R174 Y179 H180L172-A176 WeakPolarHBondContact O-CB 3.48Å; L172-A176 PolarHBondContact O-N 3.24Å; R173-A176 PolarHBondContact O-N 2.94Å; R174-A176 VanDerWaalsContact C-N 3.35Å; R174-A176 PolarHBondContact O-N 3.43Å; A176-Y179 PolarHBondContact O-N 3.26Å; A176-H180 WeakPolarHBondContact O-CB 3.44Å; A176-H180 PolarHBondContact O-N 3.49Å
177E80.5Confident80.4Confident84 Ų84106.4 Ų106.439%0.39352%0.522SS..Hα-helixtrans-63.8-40.6174.8-72171.9-166.200111.5R173 R174 H180 K181R173-E177 WeakPolarHBondContact CG-OE1 3.47Å; R173-E177 IonicContact CZ-OE1 2.89Å; R173-E177 IonicContact NE-OE1 3.27Å; R173-E177 PolarHBondContact NE-OE1 3.41Å; R173-E177 IonicContact NH2-OE1 2.87Å; R173-E177 WeakPolarHBondContact O-CG 3.44Å; R173-E177 PolarHBondContact O-N 2.97Å; R174-E177 PolarHBondContact O-N 3.47Å; E177-H180 PolarHBondContact O-N 2.94Å; E177-K181 WeakPolarHBondContact O-CG 3.48Å; E177-K181 PolarHBondContact O-N 2.91Å
178D83.8Confident79.3Confident79 Ų79102.9 Ų102.942%0.42251%0.512SS..Hα-helixtrans-71.7-37.2177.5-68.6-23.2000112.2R174 R175 H180 K181 C182R174-D178 WeakPolarHBondContact O-CB 3.46Å; R174-D178 VanDerWaalsContact O-CG 3.3Å; R174-D178 PolarHBondContact O-N 3.31Å; R175-D178 PolarHBondContact O-N 2.94Å; D178-H180 VanDerWaalsContact C-N 3.32Å; D178-H180 PolarHBondContact O-N 3.39Å; D178-K181 WeakPolarHBondContact O-CB 3.3Å; D178-K181 PolarHBondContact O-N 3.28Å; D178-K181 IonicContact OD1-NZ 3.15Å; D178-K181 PolarHBondContact OD1-NZ 3.02Å; D178-K181 VanDerWaalsContact OD1-NZ 3.15Å; D178-C182 PolarHBondContact O-N 3.46Å; D178-C182 PolarHBondContact O-SG 3.26Å; D178-C182 VanDerWaalsContact O-SG 3.32Å
179Y74.1Confident78.1Confident144 Ų14498.5 Ų98.557%0.56550%0.495SS*.Hα-helixtrans-60.4-41.9170.4-176.5-101.1000111.9R175 A176 C182 K183R175-Y179 VanDerWaalsContact O-CB 3.26Å; R175-Y179 WeakPolarHBondContact O-CB 3.5Å; R175-Y179 PolarHBondContact O-N 3.45Å; A176-Y179 PolarHBondContact O-N 3.26Å; Y179-C182 PolarHBondContact O-N 3.42Å; Y179-K183 HydrophobicContact CD1-CD 4.17Å; Y179-K183 HydrophobicContact CE1-CD 3.53Å; Y179-K183 HydrophobicContact CE1-CG 4.35Å; Y179-K183 WeakPolarHBondContact O-CB 3.26Å; Y179-K183 PolarHBondContact O-N 2.94Å; Y179-K183 WeakPolarHBondContact OH-CE 3.41Å; Y179-K183 PolarHBondContact OH-NZ 2.82Å
180H71.1Confident77Confident118 Ų118103.3 Ų103.355%0.54651%0.505SS..Hα-helixtrans-66.1-39.5175.4-171.971.2000112A176 E177 D178 K183 I184A176-H180 WeakPolarHBondContact O-CB 3.44Å; A176-H180 PolarHBondContact O-N 3.49Å; E177-H180 PolarHBondContact O-N 2.94Å; D178-H180 VanDerWaalsContact C-N 3.32Å; D178-H180 PolarHBondContact O-N 3.39Å; H180-K183 PolarHBondContact O-N 3.5Å; H180-I184 WeakPolarHBondContact CE1-CD1 3.46Å; H180-I184 VanDerWaalsContact NE2-CD1 3.26Å; H180-I184 WeakPolarHBondContact NE2-CD1 3.37Å; H180-I184 WeakPolarHBondContact O-CG1 3.42Å; H180-I184 PolarHBondContact O-N 3.31Å
181K69Low76Confident92 Ų92101.9 Ų101.940%0.451%0.509SS..Hα-helixtrans-60.8-48.9171.7-73.9172-165.6160.70110.9E177 D178 K183 I184 R189E177-K181 WeakPolarHBondContact O-CG 3.48Å; E177-K181 PolarHBondContact O-N 2.91Å; D178-K181 WeakPolarHBondContact O-CB 3.3Å; D178-K181 PolarHBondContact O-N 3.28Å; D178-K181 IonicContact OD1-NZ 3.15Å; D178-K181 PolarHBondContact OD1-NZ 3.02Å; D178-K181 VanDerWaalsContact OD1-NZ 3.15Å; K181-K183 VanDerWaalsContact C-N 3.29Å; K181-K183 PolarHBondContact O-N 2.88Å; K181-I184 PolarHBondContact O-N 3.03Å; K181-I184 VanDerWaalsContact O-O 3.07Å; K181-R189 VanDerWaalsContact CA-NH2 3.29Å; K181-R189 PolarHBondContact O-NH2 2.94Å
182C68.8Low74.9Confident116 Ų116102.7 Ų102.778%0.78452%0.515SS*.Hα-helixtrans-67.1-28-178-68.10000113.4D178 Y179D178-C182 PolarHBondContact O-N 3.46Å; D178-C182 PolarHBondContact O-SG 3.26Å; D178-C182 VanDerWaalsContact O-SG 3.32Å; Y179-C182 PolarHBondContact O-N 3.42Å
183K71.6Confident73.6Confident136 Ų136101.2 Ų101.259%0.59151%0.513SS*.Hα-helixtrans-79.7-25.8176.7-86-167.5163.1-1770114.8Y179 H180 K181 P185Y179-K183 HydrophobicContact CD1-CD 4.17Å; Y179-K183 HydrophobicContact CE1-CD 3.53Å; Y179-K183 HydrophobicContact CE1-CG 4.35Å; Y179-K183 WeakPolarHBondContact O-CB 3.26Å; Y179-K183 PolarHBondContact O-N 2.94Å; Y179-K183 WeakPolarHBondContact OH-CE 3.41Å; Y179-K183 PolarHBondContact OH-NZ 2.82Å; H180-K183 PolarHBondContact O-N 3.5Å; K181-K183 VanDerWaalsContact C-N 3.29Å; K181-K183 PolarHBondContact O-N 2.88Å; K183-P185 WeakPolarHBondContact O-CD 3.3Å
184I67.9Low72.9Confident32 Ų3297.6 Ų97.616%0.16451%0.507CS..SBendtrans-98.4112.4179.4-56.3-179.6000109.3H180 K181 A188 R189H180-I184 WeakPolarHBondContact CE1-CD1 3.46Å; H180-I184 VanDerWaalsContact NE2-CD1 3.26Å; H180-I184 WeakPolarHBondContact NE2-CD1 3.37Å; H180-I184 WeakPolarHBondContact O-CG1 3.42Å; H180-I184 PolarHBondContact O-N 3.31Å; K181-I184 PolarHBondContact O-N 3.03Å; K181-I184 VanDerWaalsContact O-O 3.07Å; I184-A188 HydrophobicContact CG2-CB 3.71Å; I184-R189 HydrophobicContact CB-CG 4.03Å; I184-R189 HydrophobicContact CG2-CB 4.47Å; I184-R189 HydrophobicContact CG2-CG 3.46Å; I184-R189 VanDerWaalsContact CG2-CG 3.46Å; I184-R189 PolarHBondContact O-NE 3.02Å
185P72.1Confident72.3Confident70 Ų7098.6 Ų98.646%0.45551%0.511SS..  trans-58.4145.1176.420.8-28.4000110.3K183 S187 A188 R189K183-P185 WeakPolarHBondContact O-CD 3.3Å; P185-S187 PolarHBondContact O-N 2.97Å; P185-A188 HydrophobicContact CG-CB 3.89Å; P185-A188 PolarHBondContact O-N 3.36Å; P185-R189 PolarHBondContact O-N 3.37Å
186P67.4Low71.8Confident101 Ų10195.3 Ų95.366%0.65651%0.507SS*.Hα-helixtrans-53.1-31.3-175.6-27.634.2000114.3R189 K190P186-R189 PolarHBondContact O-N 2.88Å; P186-K190 PolarHBondContact O-N 3.41Å
187S66.3Low71.1Confident86 Ų86101.6 Ų101.660%0.60152%0.518SS*.Hα-helixtrans-65.2-4317552.50000113P185 R189 K190 A191P185-S187 PolarHBondContact O-N 2.97Å; S187-R189 VanDerWaalsContact C-N 3.33Å; S187-R189 PolarHBondContact O-N 3.49Å; S187-K190 PolarHBondContact O-N 2.88Å; S187-A191 PolarHBondContact O-N 2.84Å
188A66.6Low70.4Confident36 Ų36103.7 Ų103.730%0.29853%0.529SS..Hα-helixtrans-69.4-29.2178.500000112.3I184 P185 A191 L192I184-A188 HydrophobicContact CG2-CB 3.71Å; P185-A188 HydrophobicContact CG-CB 3.89Å; P185-A188 PolarHBondContact O-N 3.36Å; A188-A191 PolarHBondContact O-N 3.43Å; A188-L192 WeakPolarHBondContact O-CB 3.47Å; A188-L192 PolarHBondContact O-N 2.92Å
189R67.4Low69.4Low98 Ų98101.3 Ų101.337%0.3752%0.521SS..Hα-helixtrans-65.9-39.9172.9-62.5-168.4-152.316012.8112.3K181 I184 P185 P186 S187 L192 C193K181-R189 VanDerWaalsContact CA-NH2 3.29Å; K181-R189 PolarHBondContact O-NH2 2.94Å; I184-R189 HydrophobicContact CB-CG 4.03Å; I184-R189 HydrophobicContact CG2-CB 4.47Å; I184-R189 HydrophobicContact CG2-CG 3.46Å; I184-R189 VanDerWaalsContact CG2-CG 3.46Å; I184-R189 PolarHBondContact O-NE 3.02Å; P185-R189 PolarHBondContact O-N 3.37Å; P186-R189 PolarHBondContact O-N 2.88Å; S187-R189 VanDerWaalsContact C-N 3.33Å; S187-R189 PolarHBondContact O-N 3.49Å; R189-L192 PolarHBondContact O-N 3.24Å; R189-C193 WeakPolarHBondContact O-CB 3.28Å; R189-C193 PolarHBondContact O-N 2.81Å; R189-C193 PolarHBondContact O-SG 2.75Å; R189-C193 VanDerWaalsContact O-SG 3.4Å
190K69.4Low68.7Low159 Ų15996.7 Ų96.769%0.69151%0.512SS*.Hα-helixtrans-64-42.5175.3-77.8-175.1177.7-179.40111.4P186 S187 C193 N194P186-K190 PolarHBondContact O-N 3.41Å; S187-K190 PolarHBondContact O-N 2.88Å; K190-C193 PolarHBondContact O-N 3.02Å; K190-N194 WeakPolarHBondContact O-CB 3.48Å; K190-N194 PolarHBondContact O-N 3.19Å
191A69.9Low68.3Low60 Ų6092.7 Ų92.750%0.49650%0.5SS..Hα-helixtrans-61.9-44.1175.600000112.1S187 A188 N194 W195S187-A191 PolarHBondContact O-N 2.84Å; A188-A191 PolarHBondContact O-N 3.43Å; A191-N194 PolarHBondContact O-N 3.33Å; A191-W195 WeakPolarHBondContact O-CB 3.44Å; A191-W195 PolarHBondContact O-N 2.81Å
192L68.4Low67.6Low91 Ų9195 Ų9548%0.47651%0.512SS..Hα-helixtrans-64.2-44.4176.4-116.4139.8000112.5A188 R189 N194 W195 V196A188-L192 WeakPolarHBondContact O-CB 3.47Å; A188-L192 PolarHBondContact O-N 2.92Å; R189-L192 PolarHBondContact O-N 3.24Å; L192-N194 VanDerWaalsContact C-N 3.34Å; L192-N194 PolarHBondContact O-N 3.02Å; L192-W195 PolarHBondContact O-N 3.05Å; L192-V196 WeakPolarHBondContact O-CB 3.22Å; L192-V196 VanDerWaalsContact O-CG2 3.28Å; L192-V196 WeakPolarHBondContact O-CG2 3.31Å; L192-V196 PolarHBondContact O-N 2.87Å
193C66.9Low66.8Low80 Ų8096.3 Ų96.354%0.54151%0.506SS..Hα-helixtrans-64.8-37.5176.2-74.50000112.4R189 K190 R197R189-C193 WeakPolarHBondContact O-CB 3.28Å; R189-C193 PolarHBondContact O-N 2.81Å; R189-C193 PolarHBondContact O-SG 2.75Å; R189-C193 VanDerWaalsContact O-SG 3.4Å; K190-C193 PolarHBondContact O-N 3.02Å; C193-R197 WeakPolarHBondContact O-CB 3.31Å; C193-R197 WeakPolarHBondContact O-CG 3.49Å; C193-R197 PolarHBondContact O-N 3.06Å
194N73.6Confident65.9Low99 Ų9998.4 Ų98.453%0.52951%0.51SS..Hα-helixtrans-68.7-40.7175.7-74-9.3000111.4K190 A191 L192 R197 M198K190-N194 WeakPolarHBondContact O-CB 3.48Å; K190-N194 PolarHBondContact O-N 3.19Å; A191-N194 PolarHBondContact O-N 3.33Å; L192-N194 VanDerWaalsContact C-N 3.34Å; L192-N194 PolarHBondContact O-N 3.02Å; N194-R197 PolarHBondContact O-N 3.24Å; N194-M198 WeakPolarHBondContact O-CB 3.48Å; N194-M198 PolarHBondContact O-N 3.19Å
195W74.2Confident65.1Low178 Ų178105 Ų10567%0.67454%0.54SS*.Hα-helixtrans-64.1-44.9174.7-178.272.9000112.1A191 L192 R197 M198 A199A191-W195 WeakPolarHBondContact O-CB 3.44Å; A191-W195 PolarHBondContact O-N 2.81Å; L192-W195 PolarHBondContact O-N 3.05Å; W195-R197 VanDerWaalsContact C-N 3.33Å; W195-R197 PolarHBondContact O-N 2.89Å; W195-M198 PolarHBondContact O-N 3.35Å; W195-A199 WeakPolarHBondContact O-CB 3.46Å; W195-A199 PolarHBondContact O-N 2.84Å
196V74.3Confident64.1Low82 Ų82106.9 Ų106.950%0.49756%0.555SS.*Hα-helixtrans-62.8-38.9174.8171.50000111.4L192 A200L192-V196 WeakPolarHBondContact O-CB 3.22Å; L192-V196 VanDerWaalsContact O-CG2 3.28Å; L192-V196 WeakPolarHBondContact O-CG2 3.31Å; L192-V196 PolarHBondContact O-N 2.87Å; V196-A200 VanDerWaalsContact O-CB 3.22Å; V196-A200 WeakPolarHBondContact O-CB 3.46Å; V196-A200 PolarHBondContact O-N 2.62Å
197R70.3Confident63.5Low192 Ų192105.3 Ų105.373%0.72555%0.546SS*.Hα-helixtrans-66.7-38.2173.8-80.9-176.475.71713.1112.5C193 N194 W195 A201C193-R197 WeakPolarHBondContact O-CB 3.31Å; C193-R197 WeakPolarHBondContact O-CG 3.49Å; C193-R197 PolarHBondContact O-N 3.06Å; N194-R197 PolarHBondContact O-N 3.24Å; W195-R197 VanDerWaalsContact C-N 3.33Å; W195-R197 PolarHBondContact O-N 2.89Å; R197-A201 VanDerWaalsContact O-CB 3.31Å; R197-A201 WeakPolarHBondContact O-CB 3.3Å; R197-A201 PolarHBondContact O-N 3.35Å
198M66.4Low63Low129 Ų129105 Ų10564%0.63556%0.557SS**Hα-helixtrans-68.3-47.5176-84.4-166.25000111.8N194 W195 A200 A201 E202N194-M198 WeakPolarHBondContact O-CB 3.48Å; N194-M198 PolarHBondContact O-N 3.19Å; W195-M198 PolarHBondContact O-N 3.35Å; M198-A200 VanDerWaalsContact C-N 3.27Å; M198-A200 PolarHBondContact O-N 3.23Å; M198-A201 CarbonylContact O-C 3.53Å; M198-A201 WeakPolarHBondContact O-CA 3.29Å; M198-A201 WeakPolarHBondContact O-CB 3.47Å; M198-A201 PolarHBondContact O-N 3.45Å; M198-E202 VanDerWaalsContact O-CB 3.31Å; M198-E202 WeakPolarHBondContact O-CB 3.44Å; M198-E202 PolarHBondContact O-N 3.32Å
199A62.3Low62.1Low29 Ų29110 Ų11024%0.2458%0.578CS.*Hα-helixtrans-60.3-38.7175.600000111.7W195 E202 H203W195-A199 WeakPolarHBondContact O-CB 3.46Å; W195-A199 PolarHBondContact O-N 2.84Å; A199-E202 PolarHBondContact O-N 3.27Å; A199-H203 WeakPolarHBondContact O-CB 3.34Å; A199-H203 PolarHBondContact O-CD2 3.42Å; A199-H203 VanDerWaalsContact O-CD2 3.3Å; A199-H203 PolarHBondContact O-N 3.31Å
200A59.4Low61Low46 Ų46110.3 Ų110.338%0.3859%0.593SS.*Hα-helixtrans-68.9-32.9173.600000113V196 M198 R204V196-A200 VanDerWaalsContact O-CB 3.22Å; V196-A200 WeakPolarHBondContact O-CB 3.46Å; V196-A200 PolarHBondContact O-N 2.62Å; M198-A200 VanDerWaalsContact C-N 3.27Å; M198-A200 PolarHBondContact O-N 3.23Å; A200-R204 VanDerWaalsContact O-CG 3.29Å; A200-R204 WeakPolarHBondContact O-CG 3.46Å; A200-R204 PolarHBondContact O-N 2.91Å
201A61.2Low59.8Low35 Ų35110.4 Ų110.429%0.28959%0.59SS.*Hα-helixtrans-73.7-37.5173.900000112.1R197 M198 R204 H205R197-A201 VanDerWaalsContact O-CB 3.31Å; R197-A201 WeakPolarHBondContact O-CB 3.3Å; R197-A201 PolarHBondContact O-N 3.35Å; M198-A201 CarbonylContact O-C 3.53Å; M198-A201 WeakPolarHBondContact O-CA 3.29Å; M198-A201 WeakPolarHBondContact O-CB 3.47Å; M198-A201 PolarHBondContact O-N 3.45Å; A201-R204 WeakPolarHBondContact O-CA 3.33Å; A201-R204 VanDerWaalsContact O-CB 3.3Å; A201-R204 WeakPolarHBondContact O-CB 3.44Å; A201-R204 PolarHBondContact O-N 3.15Å; A201-H205 PolarHBondContact O-CD2 2.93Å; A201-H205 PolarHBondContact O-N 2.85Å
202E56.2Low58.5Low139 Ų139118.1 Ų118.165%0.6561%0.606SS**Hα-helixtrans-65.6-41175.7-165166.8-168.600110.8M198 A199 R204 H205 S206M198-E202 VanDerWaalsContact O-CB 3.31Å; M198-E202 WeakPolarHBondContact O-CB 3.44Å; M198-E202 PolarHBondContact O-N 3.32Å; A199-E202 PolarHBondContact O-N 3.27Å; E202-R204 VanDerWaalsContact C-N 3.27Å; E202-R204 PolarHBondContact O-N 3.49Å; E202-H205 PolarHBondContact O-N 3.46Å; E202-S206 PolarHBondContact O-N 3.02Å
203H51.3Low57.6Low144 Ų144117.4 Ų117.467%0.66761%0.607SS**Hα-helixtrans-61.8-29.2168.1-91.3-72.3000113.8A199 S207A199-H203 WeakPolarHBondContact O-CB 3.34Å; A199-H203 PolarHBondContact O-CD2 3.42Å; A199-H203 VanDerWaalsContact O-CD2 3.3Å; A199-H203 PolarHBondContact O-N 3.31Å; H203-S207 PolarHBondContact O-OG 3.3Å
204R51.8Low56.5Low181 Ų181123.9 Ų123.968%0.68362%0.622SS**Hα-helixtrans-72.7-26.7176.9-77.1171.2177.5172-1.4113.4A200 A201 E202A200-R204 VanDerWaalsContact O-CG 3.29Å; A200-R204 WeakPolarHBondContact O-CG 3.46Å; A200-R204 PolarHBondContact O-N 2.91Å; A201-R204 WeakPolarHBondContact O-CA 3.33Å; A201-R204 VanDerWaalsContact O-CB 3.3Å; A201-R204 WeakPolarHBondContact O-CB 3.44Å; A201-R204 PolarHBondContact O-N 3.15Å; E202-R204 VanDerWaalsContact C-N 3.27Å; E202-R204 PolarHBondContact O-N 3.49Å
205H50.9Low55.4Low169 Ų169124.5 Ų124.578%0.78263%0.625SS**Hα-helixtrans-89.7-20.9179.9-66.8-61.6000113A201 E202A201-H205 PolarHBondContact O-CD2 2.93Å; A201-H205 PolarHBondContact O-N 2.85Å; E202-H205 PolarHBondContact O-N 3.46Å
206S51.4Low54.5Low110 Ų110120.2 Ų120.277%0.76962%0.618SS**Hα-helixtrans-95.5-11.6-176.9-157.70000115.1E202E202-S206 PolarHBondContact O-N 3.02Å
207S55.8Low53.4Low68 Ų68120.1 Ų120.148%0.47663%0.626SS.*SBendtrans-98.7-10.8-171.267.50000116.1H203 L209H203-S207 PolarHBondContact O-OG 3.3Å; S207-L209 WeakPolarHBondContact O-CG 3.4Å; S207-L209 PolarHBondContact O-N 3.22Å
208G55Low52.5Low81 Ų81116.9 Ų116.984%0.83562%0.619SS**  trans54.63.617300000117.6
209L48.3Very low51.7Low139 Ų139113.8 Ų113.873%0.72861%0.607SS**  trans-100.7137-172.8-78.5168000110.8S207 Y211S207-L209 WeakPolarHBondContact O-CG 3.4Å; S207-L209 PolarHBondContact O-N 3.22Å; L209-Y211 PolarHBondContact O-N 3.4Å
210P44.9Very low51.3Low106 Ų106117 Ų11769%0.68862%0.62SS**  trans-63.1121.1176.425.2-30.9000109.6W212P210-W212 PolarHBondContact O-N 2.92Å; P210-W212 VanDerWaalsContact O-N 3.13Å
211Y42.7Very low50.9Low161 Ų161121.9 Ų121.963%0.63163%0.633SS**  trans-65.3108176.9172.2-106.1000110.1L209 P213L209-Y211 PolarHBondContact O-N 3.4Å; Y211-P213 HydrophobicContact CD1-CB 4.27Å; Y211-P213 HydrophobicContact CD1-CG 4.07Å; Y211-P213 HydrophobicContact CE1-CB 3.5Å; Y211-P213 VanDerWaalsContact CE1-CB 3.5Å; Y211-P213 HydrophobicContact CE1-CG 3.74Å; Y211-P213 WeakPolarHBondContact O-CD 3.42Å
212W42.9Very low50.6Low221 Ų221125.2 Ų125.284%0.83765%0.646SS**  trans-80.5114.2160.3-87.590.3000108.4P210 Y214P210-W212 PolarHBondContact O-N 2.92Å; P210-W212 VanDerWaalsContact O-N 3.13Å; W212-Y214 PolarHBondContact O-N 2.93Å
213P50.4Low50.5Low77 Ų77127.5 Ų127.550%0.565%0.649SS.*  trans-70.9106.6178.5-0.516.2000107.9Y211 L215Y211-P213 HydrophobicContact CD1-CB 4.27Å; Y211-P213 HydrophobicContact CD1-CG 4.07Å; Y211-P213 HydrophobicContact CE1-CB 3.5Å; Y211-P213 VanDerWaalsContact CE1-CB 3.5Å; Y211-P213 HydrophobicContact CE1-CG 3.74Å; Y211-P213 WeakPolarHBondContact O-CD 3.42Å; P213-L215 PolarHBondContact O-N 2.96Å
214Y43.5Very low50.4Low216 Ų216128.4 Ų128.485%0.84766%0.655SS**  trans-58.7113.6153.4-98.1-91.4000106.4W212 T216W212-Y214 PolarHBondContact O-N 2.93Å; Y214-T216 PolarHBondContact O-N 3.45Å
215L50.3Low50.4Low111 Ų111123 Ų12358%0.58166%0.655SS**  trans-46.9100.1172.8-89.7138000109.3P213 T219P213-L215 PolarHBondContact O-N 2.96Å; L215-T219 HydrophobicContact CD2-CG2 3.92Å
216T56.1Low50.6Low88 Ų88122 Ų12254%0.5465%0.65SS.*  trans-62.9142.2177.2-19.60000108Y214 E218 T219 L220Y214-T216 PolarHBondContact O-N 3.45Å; T216-E218 PolarHBondContact O-N 3.49Å; T216-T219 WeakPolarHBondContact O-CB 3.48Å; T216-T219 PolarHBondContact O-N 2.93Å; T216-L220 PolarHBondContact O-N 2.93Å
217A50.3Low50.6Low80 Ų80125.5 Ų125.566%0.66166%0.655SS**Hα-helixtrans-52.9-24.1-178.500000113.5L220 K221A217-L220 PolarHBondContact O-N 3.38Å; A217-K221 VanDerWaalsContact O-CB 3.29Å; A217-K221 WeakPolarHBondContact O-CB 3.29Å; A217-K221 PolarHBondContact O-N 2.85Å
218E52.3Low50.5Low125 Ų125127.2 Ų127.258%0.58466%0.664SS**Hα-helixtrans-59.2-43.9171.7-140.286.1-138.300112.7T216 K221 N222T216-E218 PolarHBondContact O-N 3.49Å; E218-K221 PolarHBondContact O-N 3.42Å; E218-N222 VanDerWaalsContact O-CG 3.29Å; E218-N222 PolarHBondContact O-N 3.37Å; E218-N222 VanDerWaalsContact O-N 3.13Å; E218-N222 PolarHBondContact O-ND2 3.13Å
219T48.8Very low50.5Low63 Ų63128.8 Ų128.839%0.38766%0.66SS.*Hα-helixtrans-70-34.4178.7-44.10000111.5L215 T216 R223L215-T219 HydrophobicContact CD2-CG2 3.92Å; T216-T219 WeakPolarHBondContact O-CB 3.48Å; T216-T219 PolarHBondContact O-N 2.93Å; T219-R223 PolarHBondContact O-N 3.43Å
220L53Low50.4Low98 Ų98127.4 Ų127.451%0.51366%0.659SS.*Hα-helixtrans-72.8-35.6177.8-148.2142.9000111.3T216 A217 R223 M224T216-L220 PolarHBondContact O-N 2.93Å; A217-L220 PolarHBondContact O-N 3.38Å; L220-R223 PolarHBondContact O-N 3.32Å; L220-M224 PolarHBondContact O-N 3.37Å
221K52.9Low50.2Low147 Ų147128.4 Ų128.464%0.63967%0.666SS**Hα-helixtrans-67.7-37.4175-172.6-178.7159.8-163.70112.6A217 E218 R223 M224A217-K221 VanDerWaalsContact O-CB 3.29Å; A217-K221 WeakPolarHBondContact O-CB 3.29Å; A217-K221 PolarHBondContact O-N 2.85Å; E218-K221 PolarHBondContact O-N 3.42Å; K221-R223 VanDerWaalsContact C-N 3.3Å; K221-R223 PolarHBondContact O-N 3.46Å; K221-M224 PolarHBondContact O-N 3.34Å
222N54.1Low50.2Low106 Ų106127.5 Ų127.557%0.56768%0.677SS**Hα-helixtrans-72.4-22.5176.4-65.9-19.2000113.3E218 H226E218-N222 VanDerWaalsContact O-CG 3.29Å; E218-N222 PolarHBondContact O-N 3.37Å; E218-N222 VanDerWaalsContact O-N 3.13Å; E218-N222 PolarHBondContact O-ND2 3.13Å; N222-H226 PolarHBondContact O-ND1 3.34Å
223R53.2Low49.9Very low187 Ų187124.5 Ų124.571%0.70667%0.672SS**Hα-helixtrans-82-19.8173.6-82.6-174.4171.9-177.7-2114.3T219 L220 K221 G225T219-R223 PolarHBondContact O-N 3.43Å; L220-R223 PolarHBondContact O-N 3.32Å; K221-R223 VanDerWaalsContact C-N 3.3Å; K221-R223 PolarHBondContact O-N 3.46Å; R223-G225 VanDerWaalsContact C-N 3.33Å
224M49.4Very low49.4Very low163 Ų163130.1 Ų130.180%0.80369%0.692SS**THydrogen-bonded Turntrans-83.3-10.1-177.5-140.3152.8-134.400113.6L220 K221L220-M224 PolarHBondContact O-N 3.37Å; K221-M224 PolarHBondContact O-N 3.34Å
225G52.5Low48.8Very low66 Ų66127.2 Ų127.268%0.6869%0.686SS**THydrogen-bonded Turntrans-101.9-1.3178.100000115.4R223R223-G225 VanDerWaalsContact C-N 3.33Å
226H55.2Low48.4Very low148 Ų148126.7 Ų126.769%0.68569%0.692SS**SBendtrans-113.7133.9178.8-67.688.1000109.8N222N222-H226 PolarHBondContact O-ND1 3.34Å
227Q50.3Low47.4Very low184 Ų184129.5 Ų129.586%0.8670%0.702SS**PPolyproline II helixtrans-55.4137173.7-121.4-168.76.400109.7
228P54Low46.9Very low104 Ų104132.2 Ų132.268%0.67571%0.71SS**PPolyproline II helixtrans-64.3143.7173.926.2-31.9000110.1
229P55.8Low46.2Very low115 Ų115132.1 Ų132.175%0.74771%0.713SS**PPolyproline II helixtrans-61.8149.6174.226.8-33.1000110.5
230P46.9Very low45.5Very low110 Ų110135.2 Ų135.271%0.71473%0.728SS**PPolyproline II helixtrans-63.5150.9-176.825.8-32.9000111.7T232P230-T232 PolarHBondContact O-N 2.99Å
231P39.6Very low44.9Very low127 Ų127135.8 Ų135.883%0.82574%0.74SS**PPolyproline II helixtrans-66.7116-175.627.2-33.1000110.4
232T43.8Very low44.5Very low141 Ų141137.1 Ų137.187%0.86575%0.753SS**PPolyproline II helixtrans-76.5132.8166.9-32.20000108.5P230P230-T232 PolarHBondContact O-N 2.99Å
233Q35.8Very low43.6Very low159 Ų159137.1 Ų137.174%0.74376%0.761SS**PPolyproline II helixtrans-52.8131.4-164.7-63.1-168.352.800114.2H235Q233-H235 PolarHBondContact O-N 3.17Å
234Q39.1Very low42.9Very low194 Ų194137.2 Ų137.291%0.90778%0.775SS**  trans-72.1112.5160.9-71.9-178.7-2500108.5
235H31Very low42.2Very low156 Ų156138.3 Ų138.372%0.72278%0.775SS**  trans-100.7110.4159.2-80.2-82000108.7Q233Q233-H235 PolarHBondContact O-N 3.17Å
236S42.1Very low41.3Very low100 Ų100141 Ų14170%0.69978%0.779SS**  trans-49.5144.5158.249.50000111.4
237I34.5Very low40.4Very low147 Ų147139.9 Ų139.975%0.75478%0.784SS**  -163.8112.4128.7-85.2135.2000106.9D239I237-D239 HydrophobicContact CG2-CB 4.05Å
238T39.9Very low39.9Very low137 Ų137136.4 Ų136.484%0.8478%0.778SS**  trans-78.2117.7154.8-66.10000106
239D38.3Very low39Very low122 Ų122140.1 Ų140.165%0.65279%0.786SS**  trans-157.7109.3158-89.7-43.5000110.8I237I237-D239 HydrophobicContact CG2-CB 4.05Å
240N34.3Very low38.1Very low128 Ų128140.7 Ų140.768%0.68479%0.791SS**  59.6109.7129.5-65.4-49.7000120.6
241S40.9Very low37.5Very low110 Ų110143.3 Ų143.377%0.76980%0.799SS**  64.4129.8121.3-56.10000120.7
242L43.8Very low37.6Very low175 Ų175145.5 Ų145.592%0.91680%0.803SS**  trans85.478.9149.3-143.495.5000117.9
243S35.8Very low37.5Very low106 Ų106145 Ų14574%0.74180%0.799SS**  trans-163.584.2139.8-134.20000111.5K245S243-K245 VanDerWaalsContact C-N 3.25Å; S243-K245 PolarHBondContact O-N 3.39Å
244L37.9Very low38Very low189 Ų189143.3 Ų143.399%0.9980%0.802SS**  trans-68.692.5153.3-86.3160.6000106.5
245K34.4Very low38.1Very low186 Ų186142 Ų14281%0.80980%0.8SS**  trans-107.7103.9167.7-146.3167.5-175.9176.20108S243S243-K245 VanDerWaalsContact C-N 3.25Å; S243-K245 PolarHBondContact O-N 3.39Å
246T34.7Very low39Very low124 Ų124139.6 Ų139.676%0.76180%0.799SS**PPolyproline II helixtrans-46140.6173.1170000112.8
247P35.4Very low39Very low123 Ų123141 Ų14180%0.79981%0.806SS**PPolyproline II helixtrans-76.7131.5158.230.1-28.7000109.7
248P39.3Very low39.3Very low111 Ų111139.4 Ų139.472%0.72181%0.807SS**PPolyproline II helixtrans-81.2137.8-178.530.7-31.4000112.6
249E35.3Very low39.5Very low183 Ų183137.4 Ų137.486%0.85581%0.805SS**  trans69.989.2136.7-64.2177.117800119.1
250C37.5Very low39.6Very low126 Ų126138 Ų13885%0.85181%0.808SS**  trans-140.6118.3136.8-88.20000107.7
251L34.9Very low40.2Very low166 Ų166138.5 Ų138.587%0.86981%0.811SS**  trans120.7101.6167.8-62.7-160.9000112.5
252L40.2Very low40.3Very low173 Ų173139.3 Ų139.391%0.90681%0.806SS**  trans-175.9109.7130.4-96.3156000110.5
253T42.7Very low40.6Very low129 Ų129137.4 Ų137.479%0.79180%0.796SS**PPolyproline II helixtrans-52.2139.8156.3-36.30000109.8
254P45.4Very low40.7Very low124 Ų124141.3 Ų141.381%0.80580%0.8SS**PPolyproline II helixtrans-79.7129.1178.130.1-31.1000111.1
255L42Very low40.7Very low166 Ų166141.4 Ų141.487%0.86979%0.792SS**PPolyproline II helixtrans-98.1136.9162.8-165.472.6000108.3
256P48.8Very low40.7Very low106 Ų106144.2 Ų144.269%0.68882%0.815SS**PPolyproline II helixtrans-73.3163.7-174.828.6-35.2000114.1
257P43.7Very low41Very low130 Ų130145.2 Ų145.284%0.84482%0.818SS**PPolyproline II helixtrans-76.2151.7-16930.3-34.9000114.7
258S40.1Very low41.3Very low113 Ų113146.4 Ų146.479%0.7982%0.819SS**PPolyproline II helixtrans-54.3140175.6-170.10000114
259A43.6Very low41.4Very low95 Ų95148.3 Ų148.379%0.78582%0.824SS**  trans-127.7137.215700000108.4
260D41.6Very low41.8Very low134 Ų134146.3 Ų146.372%0.71782%0.822SS**  trans-68.6169-169.3-60.3-64.7000114.7
261D45.2Very low42Very low140 Ų140147.6 Ų147.675%0.74982%0.82SS**  trans97.2117.8135.9-80.6-14.6000122
262N44.4Very low42.5Very low127 Ų127146.3 Ų146.368%0.67982%0.817SS**  trans93.598.1144-64.9-54.4000121.5
263L49.7Very low42.7Very low135 Ų135144.4 Ų144.471%0.70781%0.811SS**  48.6116.9116.6-87.5138000120.9
264K38.5Very low42.7Very low187 Ų187145.6 Ų145.681%0.81381%0.812SS**  trans79126.3135-87173.3-175.8-1790121.1
265K37.2Very low42.5Very low191 Ų191147.4 Ų147.483%0.8381%0.813SS**  trans-46.2144.7151.6-90.4176.2165.3179.50112.5
266L34.8Very low42.5Very low245 Ų245145.7 Ų145.7100%1.28381%0.808SS**  trans68.40159.9-86.9152.9000116.7

Retrieved 266 of 266 residues in 218 ms (Link to these results)