A0A067ZXQ0_HUMAN Loading...

Nuclear pore complex-interacting protein

AlphaFold DB , UniProt , Accession A0A067ZXQ0, Species HUMAN (Homo sapiens, Human), Gene NPIP, Length 233 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
1M30.4Very low32.3Very low233 Ų233154.1 Ų154.1100%1.14880%0.799SS**  0116.30-109.2171.2157.900107.8
2F26.3Very low32.5Very low200 Ų200147.8 Ų147.888%0.87780%0.8SS**  trans35.9142.5164-73.7-93.7000120.8
3C30.7Very low32.3Very low87 Ų87142.1 Ų142.159%0.58880%0.796SS**  cis170.9136.3-13.7172.10000103.6
4C33.7Very low33.1Very low100 Ų100140.7 Ų140.768%0.67680%0.799SS**  trans67.2128.7138.2-41.50000117.1
5L34.6Very low33.7Very low128 Ų128144.3 Ų144.367%0.6780%0.802SS**  cis-159133.649.2-81.5148.5000109.4Y7L5-Y7 HydrophobicContact CB-CE1 4.02Å; L5-Y7 HydrophobicContact CB-CE2 4.25Å; L5-Y7 VanDerWaalsContact CB-OH 3.3Å; L5-Y7 WeakPolarHBondContact CB-OH 3.37Å; L5-Y7 WeakPolarHBondContact CD1-OH 3.22Å
6G32.4Very low34.4Very low70 Ų70141.9 Ų141.972%0.72279%0.793SS**  trans-80.4150.8164.500000111.3
7Y27.5Very low34.5Very low179 Ų179147.5 Ų147.570%0.70280%0.799SS**  trans-143.995.2154.1-29.9-85.7000106.9L5L5-Y7 HydrophobicContact CB-CE1 4.02Å; L5-Y7 HydrophobicContact CB-CE2 4.25Å; L5-Y7 VanDerWaalsContact CB-OH 3.3Å; L5-Y7 WeakPolarHBondContact CB-OH 3.37Å; L5-Y7 WeakPolarHBondContact CD1-OH 3.22Å
8E35.7Very low34.8Very low180 Ų180147.7 Ų147.784%0.84179%0.793SS**  trans-68.9130.7158.1-74.7-178.6129.200108.4
9W31.8Very low35.4Very low242 Ų242143.1 Ų143.192%0.91777%0.774SS**  trans-135.493.1150.7-87.189.5000107.8
10L37.4Very low36Very low162 Ų162138.7 Ų138.785%0.84876%0.757SS**  trans-79114150.7-90.2161.1000107
11S34.6Very low36Very low114 Ų114140.7 Ų140.780%0.79775%0.754SS**  -176.7122.4129.5-164.30000111.4
12G34.5Very low36.8Very low79 Ų79133.7 Ų133.781%0.81472%0.724SS**  trans92.1100.8142.600000117.2
13G30.5Very low37.8Very low73 Ų73129.7 Ų129.775%0.75371%0.711SS**  trans153.176.6152.300000116K15G13-K15 PolarHBondContact O-N 3.03Å
14C43.5Very low38.4Very low123 Ų123131 Ų13183%0.83171%0.712SS**  trans-4.9112.7148.2-172.70000115.6
15K41.8Very low38.9Very low195 Ų195128.7 Ų128.785%0.84870%0.695SS**  trans174.3109.5155.3-91.7143-165.2-179.60105.8G13G13-K15 PolarHBondContact O-N 3.03Å
16T44.6Very low39.3Very low106 Ų106128.3 Ų128.365%0.6569%0.693SS**SBend-162.125.6105.438.60000113.3H18 S19T16-H18 PolarHBondContact O-N 3.38Å; T16-S19 PolarHBondContact O-OG 2.97Å
17W37.4Very low39.8Very low236 Ų236127.7 Ų127.789%0.89468%0.681SS**Hα-helixtrans-68.4-22.6172.6-74.592.7000113.2
18H40Very low40.5Very low151 Ų151124.9 Ų124.970%0.69968%0.678SS**Hα-helixtrans-76-28.4-179-105.2-75.2000114.6T16 V22T16-H18 PolarHBondContact O-N 3.38Å; H18-V22 VanDerWaalsContact O-CG2 3.31Å; H18-V22 WeakPolarHBondContact O-CG2 3.3Å; H18-V22 PolarHBondContact O-N 3.01Å
19S45.2Very low40.9Very low61 Ų61122.8 Ų122.843%0.42767%0.668SS.*Hα-helixtrans-77.9-31.3-179.244.70000112.4T16 I23T16-S19 PolarHBondContact O-OG 2.97Å; S19-I23 WeakPolarHBondContact O-CD1 3.41Å; S19-I23 WeakPolarHBondContact O-CG1 3.36Å; S19-I23 PolarHBondContact O-N 3.02Å
20A46.5Very low41.6Very low54 Ų54119 Ų11945%0.44666%0.66SS.*Hα-helixtrans-70.7-37.6174.300000112.1N24A20-N24 PolarHBondContact O-N 3.3Å; A20-N24 VanDerWaalsContact O-N 3.12Å
21W37Very low41.7Very low182 Ų182119.5 Ų119.569%0.68966%0.658SS**Hα-helixtrans-66.4-47.7177.8-15660.5000111.1I23 N24 T25W21-I23 VanDerWaalsContact C-N 3.33Å; W21-I23 PolarHBondContact O-N 3.41Å; W21-N24 PolarHBondContact O-N 3.44Å; W21-N24 VanDerWaalsContact O-N 3.16Å; W21-T25 PolarHBondContact O-N 3.29Å; W21-T25 PolarHBondContact O-OG1 3.05Å
22V47.1Very low42.1Very low85 Ų85124.9 Ų124.952%0.51566%0.661SS.*Hα-helixtrans-63-35.5-179.7173.40000112.8H18 L26H18-V22 VanDerWaalsContact O-CG2 3.31Å; H18-V22 WeakPolarHBondContact O-CG2 3.3Å; H18-V22 PolarHBondContact O-N 3.01Å; V22-L26 VanDerWaalsContact O-CB 3.3Å; V22-L26 WeakPolarHBondContact O-CB 3.24Å; V22-L26 PolarHBondContact O-N 3.33Å
23I47.9Very low42.4Very low116 Ų116123.9 Ų123.960%0.59565%0.65SS**Hα-helixtrans-71.3-39.1176.8-65.2167.8000110.8S19 W21 L26 A27S19-I23 WeakPolarHBondContact O-CD1 3.41Å; S19-I23 WeakPolarHBondContact O-CG1 3.36Å; S19-I23 PolarHBondContact O-N 3.02Å; W21-I23 VanDerWaalsContact C-N 3.33Å; W21-I23 PolarHBondContact O-N 3.41Å; I23-L26 PolarHBondContact O-N 3.33Å; I23-A27 WeakPolarHBondContact O-CB 3.39Å; I23-A27 PolarHBondContact O-N 3.1Å
24N43.7Very low43.3Very low114 Ų114126.3 Ų126.361%0.6165%0.651SS**Hα-helixtrans-71.8-36.2175.5-81.9-19.5000112.6A20 W21 L26 A27 D28A20-N24 PolarHBondContact O-N 3.3Å; A20-N24 VanDerWaalsContact O-N 3.12Å; W21-N24 PolarHBondContact O-N 3.44Å; W21-N24 VanDerWaalsContact O-N 3.16Å; N24-L26 VanDerWaalsContact C-N 3.31Å; N24-L26 PolarHBondContact O-N 3.46Å; N24-A27 PolarHBondContact O-N 3.46Å; N24-D28 VanDerWaalsContact O-CB 3.25Å; N24-D28 WeakPolarHBondContact O-CB 3.46Å; N24-D28 PolarHBondContact O-N 3.46Å
25T44.2Very low43.6Very low52 Ų52127 Ų12732%0.31965%0.646SS.*Hα-helixtrans-67.5-32.7174.3-31.20000111.8W21 H29W21-T25 PolarHBondContact O-N 3.29Å; W21-T25 PolarHBondContact O-OG1 3.05Å; T25-H29 PolarHBondContact O-N 3.41Å
26L41.3Very low43.5Very low120 Ų120129 Ų12963%0.62866%0.655SS**Hα-helixtrans-74.3-34.5176.1-16869.2000112.4V22 I23 N24V22-L26 VanDerWaalsContact O-CB 3.3Å; V22-L26 WeakPolarHBondContact O-CB 3.24Å; V22-L26 PolarHBondContact O-N 3.33Å; I23-L26 PolarHBondContact O-N 3.33Å; N24-L26 VanDerWaalsContact C-N 3.31Å; N24-L26 PolarHBondContact O-N 3.46Å
27A44.1Very low43.4Very low58 Ų58126.2 Ų126.248%0.47965%0.648SS.*Hα-helixtrans-72.6-36.5174.100000112.2I23 N24 H29 H30I23-A27 WeakPolarHBondContact O-CB 3.39Å; I23-A27 PolarHBondContact O-N 3.1Å; N24-A27 PolarHBondContact O-N 3.46Å; A27-H29 VanDerWaalsContact C-N 3.31Å; A27-H29 PolarHBondContact O-N 2.98Å; A27-H30 PolarHBondContact O-N 3.43Å
28D41.9Very low43.8Very low119 Ų119118.4 Ų118.464%0.63664%0.64SS**Hα-helixtrans-72.7-23.6-179.5-156.956.7000112.7N24N24-D28 VanDerWaalsContact O-CB 3.25Å; N24-D28 WeakPolarHBondContact O-CB 3.46Å; N24-D28 PolarHBondContact O-N 3.46Å
29H44.4Very low44.4Very low137 Ų137113.8 Ų113.863%0.63463%0.625SS**THydrogen-bonded Turntrans-82.1-9.9173.1-77.53.3000114.9T25 A27T25-H29 PolarHBondContact O-N 3.41Å; A27-H29 VanDerWaalsContact C-N 3.31Å; A27-H29 PolarHBondContact O-N 2.98Å
30H45.3Very low44.9Very low162 Ų162115.2 Ų115.275%0.7563%0.633SS**THydrogen-bonded Turntrans-90.8-0176.4-97.6-71.2000114.1A27A27-H30 PolarHBondContact O-N 3.43Å
31H41.2Very low45.3Very low173 Ų173121 Ų12180%0.80164%0.643SS**SBendtrans-117.66-176.9-108.5-61.6000116.1
32R42.1Very low46.4Very low226 Ų226116.9 Ų116.985%0.85363%0.634SS**SBendtrans-93.6103.5172.7-114.1179161.5174.4-4.5110.7
33G40.3Very low47.1Very low58 Ų58120 Ų12060%0.59864%0.643SS**  trans46.7111.2155.100000117.1
34T50.5Low47.8Very low124 Ų124118.9 Ų118.976%0.76164%0.637SS**  15.1114.187.9560000112.3
35D49.4Very low48.6Very low137 Ų137118.2 Ų118.273%0.73363%0.632SS**  trans1535.3141.2-66.6-19.9000115.7G37D35-G37 PolarHBondContact O-N 3.18Å; D35-G37 VanDerWaalsContact O-N 3.13Å
36F39.4Very low49.5Very low238 Ų238121.3 Ų121.3100%1.04465%0.646SS**THydrogen-bonded Turntrans-88.444.2164.9-82.7-80.5000113.4
37G42Very low50.3Low48 Ų48117.9 Ų117.950%0.49564%0.635SS.*THydrogen-bonded Turntrans-154.718.2172.600000112.3D35 S39D35-G37 PolarHBondContact O-N 3.18Å; D35-G37 VanDerWaalsContact O-N 3.13Å; G37-S39 PolarHBondContact O-N 2.91Å
38G46.9Very low50.9Low71 Ų71122.3 Ų122.373%0.73264%0.644SS**  trans-70.649.8175.500000112.2P40G38-P40 VanDerWaalsContact O-CD 3.3Å; G38-P40 WeakPolarHBondContact O-CD 3.39Å
39S51.1Low51.8Low55 Ų55119 Ų11939%0.38563%0.629SS.*  trans-83.1118.5179.5-153.30000107.6G37 W41 L42G37-S39 PolarHBondContact O-N 2.91Å; S39-W41 PolarHBondContact O-N 2.95Å; S39-L42 PolarHBondContact O-N 2.9Å
40P57.3Low52.6Low90 Ų90116.5 Ų116.558%0.58462%0.623SS**Hα-helixtrans-46-25.8170-28.635.5000112.5G38 L42 H43 I44G38-P40 VanDerWaalsContact O-CD 3.3Å; G38-P40 WeakPolarHBondContact O-CD 3.39Å; P40-L42 PolarHBondContact O-N 3.41Å; P40-H43 PolarHBondContact O-N 2.89Å; P40-I44 WeakPolarHBondContact O-CD1 3.41Å; P40-I44 WeakPolarHBondContact O-CG1 3.43Å; P40-I44 PolarHBondContact O-N 2.81Å
41W54.2Low53.6Low176 Ų176112 Ų11267%0.66761%0.61SS**Hα-helixtrans-56.8-37.5172-8179.4000116S39 I44 I45S39-W41 PolarHBondContact O-N 2.95Å; W41-I44 PolarHBondContact O-N 3.28Å; W41-I45 WeakPolarHBondContact O-CB 3.18Å; W41-I45 WeakPolarHBondContact O-CD1 3.23Å; W41-I45 WeakPolarHBondContact O-CG1 3.1Å; W41-I45 PolarHBondContact O-N 3.15Å
42L61.1Low55.3Low95 Ų95109 Ų10950%0.49759%0.592SS.*Hα-helixtrans-71.8-37.5178.2-76.6173.7000111.7S39 P40 I44 I45 I46S39-L42 PolarHBondContact O-N 2.9Å; P40-L42 PolarHBondContact O-N 3.41Å; L42-I44 VanDerWaalsContact C-N 3.32Å; L42-I45 PolarHBondContact O-N 3.39Å; L42-I46 WeakPolarHBondContact O-CG1 3.45Å; L42-I46 PolarHBondContact O-N 3.17Å
43H61.3Low56.9Low152 Ų152104 Ų10470%0.70458%0.577SS**Hα-helixtrans-62.9-40.9170.1-78.7-85.7000111.1P40 I46 A47P40-H43 PolarHBondContact O-N 2.89Å; H43-I46 PolarHBondContact O-N 3.44Å; H43-A47 WeakPolarHBondContact O-CA 3.49Å; H43-A47 WeakPolarHBondContact O-CB 3.28Å; H43-A47 PolarHBondContact O-N 3.37Å
44I61.4Low58.6Low92 Ų92105 Ų10547%0.47257%0.572SS.*Hα-helixtrans-62.8-46.4174.4-66.1161.7000110.7P40 W41 L42 I46 A47 F48P40-I44 WeakPolarHBondContact O-CD1 3.41Å; P40-I44 WeakPolarHBondContact O-CG1 3.43Å; P40-I44 PolarHBondContact O-N 2.81Å; W41-I44 PolarHBondContact O-N 3.28Å; L42-I44 VanDerWaalsContact C-N 3.32Å; I44-I46 VanDerWaalsContact C-N 3.28Å; I44-I46 PolarHBondContact O-N 3.41Å; I44-A47 PolarHBondContact O-N 3.47Å; I44-F48 WeakPolarHBondContact O-CB 3.27Å; I44-F48 PolarHBondContact O-N 3.27Å
45I61.9Low60Low99 Ų99103.6 Ų103.651%0.50856%0.562SS.*Hα-helixtrans-65.4-28.4-178.7-68.6161.2000112.5W41 L42 P49W41-I45 WeakPolarHBondContact O-CB 3.18Å; W41-I45 WeakPolarHBondContact O-CD1 3.23Å; W41-I45 WeakPolarHBondContact O-CG1 3.1Å; W41-I45 PolarHBondContact O-N 3.15Å; L42-I45 PolarHBondContact O-N 3.39Å; I45-P49 WeakPolarHBondContact O-CD 3.41Å; I45-P49 WeakPolarHBondContact O-CG 3.32Å
46I61.8Low61.7Low117 Ų117101 Ų10160%0.655%0.548SS*.Hα-helixtrans-92.4-37.1178.2-62.6168.5000112L42 H43 I44 P49 T50L42-I46 WeakPolarHBondContact O-CG1 3.45Å; L42-I46 PolarHBondContact O-N 3.17Å; H43-I46 PolarHBondContact O-N 3.44Å; I44-I46 VanDerWaalsContact C-N 3.28Å; I44-I46 PolarHBondContact O-N 3.41Å; I46-P49 WeakPolarHBondContact O-CD 3.25Å; I46-T50 PolarHBondContact O-OG1 3.01Å; I46-T50 VanDerWaalsContact O-OG1 3.04Å
47A58.1Low63.6Low49 Ų4993.6 Ų93.641%0.40552%0.522SS..Hα-helixtrans-72.1-39.8178.700000111.8H43 I44 T50 S51H43-A47 WeakPolarHBondContact O-CA 3.49Å; H43-A47 WeakPolarHBondContact O-CB 3.28Å; H43-A47 PolarHBondContact O-N 3.37Å; I44-A47 PolarHBondContact O-N 3.47Å; A47-T50 WeakPolarHBondContact O-CB 3.48Å; A47-T50 PolarHBondContact O-N 3.39Å; A47-S51 PolarHBondContact O-N 3.16Å; A47-S51 PolarHBondContact O-OG 3.12Å; A47-S51 VanDerWaalsContact O-OG 3.13Å
48F57.4Low65.5Low151 Ų15196.7 Ų96.766%0.66253%0.527SS*.Hα-helixtrans-60.5-42-178-160.4-89.7000113I44 T50 Y52I44-F48 WeakPolarHBondContact O-CB 3.27Å; I44-F48 PolarHBondContact O-N 3.27Å; F48-T50 VanDerWaalsContact C-N 3.26Å; F48-T50 PolarHBondContact O-N 3.38Å; F48-Y52 WeakPolarHBondContact O-CD1 3.26Å; F48-Y52 PolarHBondContact O-N 2.96Å
49P61.1Low67.3Low49 Ų49101.3 Ų101.332%0.31852%0.522SS..Hα-helixtrans-57.4-35.5169.7-30.436.6000115.5I45 I46 Y52 K53I45-P49 WeakPolarHBondContact O-CD 3.41Å; I45-P49 WeakPolarHBondContact O-CG 3.32Å; I46-P49 WeakPolarHBondContact O-CD 3.25Å; P49-Y52 VanDerWaalsContact C-CD1 3.46Å; P49-Y52 HydrophobicContact CB-CD1 4.31Å; P49-Y52 HydrophobicContact CB-CE1 3.9Å; P49-Y52 WeakPolarHBondContact O-CD1 3.32Å; P49-Y52 WeakPolarHBondContact O-CE1 3.44Å; P49-K53 VanDerWaalsContact O-CG 3.3Å; P49-K53 WeakPolarHBondContact O-CG 3.48Å; P49-K53 PolarHBondContact O-N 3.01Å
50T60.2Low69.1Low84 Ų84102.8 Ų102.852%0.51553%0.525SS..Hα-helixtrans-80.9-43.5-174.7-52.70000109.6I46 A47 F48 K53 V54I46-T50 PolarHBondContact O-OG1 3.01Å; I46-T50 VanDerWaalsContact O-OG1 3.04Å; A47-T50 WeakPolarHBondContact O-CB 3.48Å; A47-T50 PolarHBondContact O-N 3.39Å; F48-T50 VanDerWaalsContact C-N 3.26Å; F48-T50 PolarHBondContact O-N 3.38Å; T50-K53 PolarHBondContact O-N 3.45Å; T50-V54 WeakPolarHBondContact O-CG2 3.48Å; T50-V54 PolarHBondContact O-N 3.37Å; T50-V54 VanDerWaalsContact O-N 3.15Å
51S67.7Low70.6Confident69 Ų69102.3 Ų102.348%0.48352%0.52SS..Hα-helixtrans-63.5-43.7175.7-58.90000112.3A47 K53 V54 V55A47-S51 PolarHBondContact O-N 3.16Å; A47-S51 PolarHBondContact O-OG 3.12Å; A47-S51 VanDerWaalsContact O-OG 3.13Å; S51-K53 VanDerWaalsContact C-N 3.28Å; S51-K53 PolarHBondContact O-N 3.13Å; S51-V54 PolarHBondContact O-N 3.49Å; S51-V55 WeakPolarHBondContact O-CG2 3.22Å; S51-V55 PolarHBondContact O-N 2.9Å
52Y76Confident72.2Confident109 Ų109101.5 Ų101.543%0.42752%0.518SS..Hα-helixtrans-62.8-37.7178.289.7-110.5000111.5F48 P49 V54 V55 I56F48-Y52 WeakPolarHBondContact O-CD1 3.26Å; F48-Y52 PolarHBondContact O-N 2.96Å; P49-Y52 VanDerWaalsContact C-CD1 3.46Å; P49-Y52 HydrophobicContact CB-CD1 4.31Å; P49-Y52 HydrophobicContact CB-CE1 3.9Å; P49-Y52 WeakPolarHBondContact O-CD1 3.32Å; P49-Y52 WeakPolarHBondContact O-CE1 3.44Å; Y52-V54 VanDerWaalsContact C-N 3.32Å; Y52-V54 PolarHBondContact O-N 2.75Å; Y52-V55 PolarHBondContact O-N 3.47Å; Y52-I56 HydrophobicContact CD2-CD1 3.57Å; Y52-I56 HydrophobicContact CD2-CG1 4.38Å; Y52-I56 HydrophobicContact CE2-CD1 4.06Å; Y52-I56 WeakPolarHBondContact O-CB 3.43Å; Y52-I56 VanDerWaalsContact O-CG1 3.25Å; Y52-I56 WeakPolarHBondContact O-CG1 3.3Å; Y52-I56 PolarHBondContact O-N 2.89Å
53K76.6Confident73.4Confident121 Ų121101.6 Ų101.653%0.52652%0.519SS..Hα-helixtrans-64.6-39.9178.1-75.2179.1-178.1175.50111.3P49 T50 S51 T57P49-K53 VanDerWaalsContact O-CG 3.3Å; P49-K53 WeakPolarHBondContact O-CG 3.48Å; P49-K53 PolarHBondContact O-N 3.01Å; T50-K53 PolarHBondContact O-N 3.45Å; S51-K53 VanDerWaalsContact C-N 3.28Å; S51-K53 PolarHBondContact O-N 3.13Å; K53-T57 VanDerWaalsContact O-CB 3.29Å; K53-T57 WeakPolarHBondContact O-CB 3.36Å; K53-T57 PolarHBondContact O-N 2.86Å; K53-T57 PolarHBondContact O-OG1 2.83Å
54V75.9Confident74.6Confident80 Ų80102.4 Ų102.449%0.48552%0.515SS..Hα-helixtrans-65.6-46.7176.4176.20000110.3T50 S51 Y52 T57 L58T50-V54 WeakPolarHBondContact O-CG2 3.48Å; T50-V54 PolarHBondContact O-N 3.37Å; T50-V54 VanDerWaalsContact O-N 3.15Å; S51-V54 PolarHBondContact O-N 3.49Å; Y52-V54 VanDerWaalsContact C-N 3.32Å; Y52-V54 PolarHBondContact O-N 2.75Å; V54-T57 PolarHBondContact O-N 3.49Å; V54-L58 HydrophobicContact CG1-CD1 3.85Å; V54-L58 HydrophobicContact CG1-CG 4.32Å; V54-L58 WeakPolarHBondContact O-CB 3.29Å; V54-L58 VanDerWaalsContact O-CG 3.31Å; V54-L58 WeakPolarHBondContact O-CG 3.25Å; V54-L58 PolarHBondContact O-N 2.94Å
55V79.9Confident75.6Confident93 Ų93102.2 Ų102.256%0.56452%0.518SS*.Hα-helixtrans-62.6-46179174.30000111.8S51 Y52 T57 L58 W59S51-V55 WeakPolarHBondContact O-CG2 3.22Å; S51-V55 PolarHBondContact O-N 2.9Å; Y52-V55 PolarHBondContact O-N 3.47Å; V55-T57 VanDerWaalsContact C-N 3.31Å; V55-T57 PolarHBondContact O-N 2.98Å; V55-L58 PolarHBondContact O-N 3.38Å; V55-W59 WeakPolarHBondContact O-CB 3.31Å; V55-W59 PolarHBondContact O-N 2.91Å
56I83.8Confident76.4Confident83 Ų8399.6 Ų99.643%0.42651%0.509SS..Hα-helixtrans-61.3-42.6175.9-69.5178.1000110.6Y52 W59 I60Y52-I56 HydrophobicContact CD2-CD1 3.57Å; Y52-I56 HydrophobicContact CD2-CG1 4.38Å; Y52-I56 HydrophobicContact CE2-CD1 4.06Å; Y52-I56 WeakPolarHBondContact O-CB 3.43Å; Y52-I56 VanDerWaalsContact O-CG1 3.25Å; Y52-I56 WeakPolarHBondContact O-CG1 3.3Å; Y52-I56 PolarHBondContact O-N 2.89Å; I56-W59 PolarHBondContact O-N 3.2Å; I56-I60 HydrophobicContact CG2-CD1 3.73Å; I56-I60 HydrophobicContact CG2-CG1 4.4Å; I56-I60 VanDerWaalsContact O-CG1 3.24Å; I56-I60 WeakPolarHBondContact O-CG1 3.32Å; I56-I60 PolarHBondContact O-N 3.43Å
57T80Confident77.2Confident83 Ų8398.5 Ų98.551%0.50950%0.504SS..Hα-helixtrans-64.8-44179.1-56.10000111.2K53 V54 V55 I60 V61K53-T57 VanDerWaalsContact O-CB 3.29Å; K53-T57 WeakPolarHBondContact O-CB 3.36Å; K53-T57 PolarHBondContact O-N 2.86Å; K53-T57 PolarHBondContact O-OG1 2.83Å; V54-T57 PolarHBondContact O-N 3.49Å; V55-T57 VanDerWaalsContact C-N 3.31Å; V55-T57 PolarHBondContact O-N 2.98Å; T57-I60 PolarHBondContact O-N 3.28Å; T57-V61 VanDerWaalsContact O-CG2 3.3Å; T57-V61 WeakPolarHBondContact O-CG2 3.34Å; T57-V61 PolarHBondContact O-N 2.89Å
58L82.4Confident78.2Confident113 Ų11399.9 Ų99.959%0.59250%0.504SS*.Hα-helixtrans-62.6-41.5175.5-73.2172.2000111.7V54 V55 V61 Y62V54-L58 HydrophobicContact CG1-CD1 3.85Å; V54-L58 HydrophobicContact CG1-CG 4.32Å; V54-L58 WeakPolarHBondContact O-CB 3.29Å; V54-L58 VanDerWaalsContact O-CG 3.31Å; V54-L58 WeakPolarHBondContact O-CG 3.25Å; V54-L58 PolarHBondContact O-N 2.94Å; V55-L58 PolarHBondContact O-N 3.38Å; L58-V61 PolarHBondContact O-N 3.29Å; L58-Y62 VanDerWaalsContact O-CB 3.25Å; L58-Y62 WeakPolarHBondContact O-CB 3.24Å; L58-Y62 PolarHBondContact O-N 3.34Å
59W84.8Confident79Confident168 Ų168100.2 Ų100.264%0.63651%0.505SS*.Hα-helixtrans-64.1-42.3177-174.856.3000112.2V55 I56 Y62 L63V55-W59 WeakPolarHBondContact O-CB 3.31Å; V55-W59 PolarHBondContact O-N 2.91Å; I56-W59 PolarHBondContact O-N 3.2Å; W59-Y62 PolarHBondContact O-N 2.83Å; W59-L63 WeakPolarHBondContact O-CB 3.35Å; W59-L63 PolarHBondContact O-N 3.34Å
60I88.6Confident79.4Confident85 Ų85102.3 Ų102.344%0.43652%0.517SS..Hα-helixtrans-63.1-45.6175.6-69.9166.6000111I56 T57 L63 W64I56-I60 HydrophobicContact CG2-CD1 3.73Å; I56-I60 HydrophobicContact CG2-CG1 4.4Å; I56-I60 VanDerWaalsContact O-CG1 3.24Å; I56-I60 WeakPolarHBondContact O-CG1 3.32Å; I56-I60 PolarHBondContact O-N 3.43Å; T57-I60 PolarHBondContact O-N 3.28Å; I60-L63 PolarHBondContact O-N 2.85Å; I60-W64 WeakPolarHBondContact O-CB 3.3Å; I60-W64 PolarHBondContact O-N 3.38Å
61V88.9Confident79.9Confident81 Ų81102.7 Ų102.749%0.49152%0.515SS..Hα-helixtrans-63.8-43.5178.2171.70000110.4T57 L58 W64 V65T57-V61 VanDerWaalsContact O-CG2 3.3Å; T57-V61 WeakPolarHBondContact O-CG2 3.34Å; T57-V61 PolarHBondContact O-N 2.89Å; L58-V61 PolarHBondContact O-N 3.29Å; V61-W64 PolarHBondContact O-N 2.84Å; V61-V65 HydrophobicContact CG1-CG2 4.35Å; V61-V65 WeakPolarHBondContact O-CG2 3.23Å; V61-V65 PolarHBondContact O-N 3.35Å
62Y86.4Confident79.6Confident159 Ų159105.6 Ų105.662%0.62452%0.519SS*.Hα-helixtrans-61.3-46.8176.8-178.2-99.1000111.9L58 W59 W64 V65 S66L58-Y62 VanDerWaalsContact O-CB 3.25Å; L58-Y62 WeakPolarHBondContact O-CB 3.24Å; L58-Y62 PolarHBondContact O-N 3.34Å; W59-Y62 PolarHBondContact O-N 2.83Å; Y62-W64 VanDerWaalsContact C-N 3.29Å; Y62-W64 PolarHBondContact O-N 3.33Å; Y62-V65 PolarHBondContact O-N 2.96Å; Y62-S66 WeakPolarHBondContact O-CB 3.25Å; Y62-S66 PolarHBondContact O-N 2.99Å; Y62-S66 PolarHBondContact O-OG 3.44Å
63L87.1Confident78.5Confident97 Ų97110.5 Ų110.551%0.50854%0.537SS..Hα-helixtrans-59.4-41.8176.1-164.783.6000111.2W59 I60 L67W59-L63 WeakPolarHBondContact O-CB 3.35Å; W59-L63 PolarHBondContact O-N 3.34Å; I60-L63 PolarHBondContact O-N 2.85Å; L63-L67 VanDerWaalsContact O-CB 3.28Å; L63-L67 WeakPolarHBondContact O-CB 3.48Å; L63-L67 PolarHBondContact O-N 2.86Å
64W85.7Confident77.5Confident168 Ų168108.4 Ų108.464%0.63654%0.538SS*.Hα-helixtrans-65.8-43.5176.8-103.982.4000112.9I60 V61 Y62 L67 L68I60-W64 WeakPolarHBondContact O-CB 3.3Å; I60-W64 PolarHBondContact O-N 3.38Å; V61-W64 PolarHBondContact O-N 2.84Å; Y62-W64 VanDerWaalsContact C-N 3.29Å; Y62-W64 PolarHBondContact O-N 3.33Å; W64-L67 PolarHBondContact O-N 3.39Å; W64-L68 HydrophobicContact CD2-CD1 4.47Å; W64-L68 HydrophobicContact CE3-CD1 3.34Å; W64-L68 HydrophobicContact CZ3-CD1 3.7Å; W64-L68 WeakPolarHBondContact O-CB 3.39Å; W64-L68 VanDerWaalsContact O-CD1 3.25Å; W64-L68 WeakPolarHBondContact O-CD1 3.37Å; W64-L68 PolarHBondContact O-N 2.88Å
65V82.3Confident76.2Confident88 Ų88111.1 Ų111.153%0.53354%0.54SS..Hα-helixtrans-65.8-42177.6171.90000110.6V61 Y62 L68 K69V61-V65 HydrophobicContact CG1-CG2 4.35Å; V61-V65 WeakPolarHBondContact O-CG2 3.23Å; V61-V65 PolarHBondContact O-N 3.35Å; Y62-V65 PolarHBondContact O-N 2.96Å; V65-L68 PolarHBondContact O-N 3.26Å; V65-K69 VanDerWaalsContact O-CB 3.27Å; V65-K69 WeakPolarHBondContact O-CB 3.37Å; V65-K69 PolarHBondContact O-N 2.97Å
66S79.6Confident74.7Confident45 Ų45112.2 Ų112.232%0.31554%0.542SS..Hα-helixtrans-62.6-42.2175.2-69.60000111.8Y62 K69 T70Y62-S66 WeakPolarHBondContact O-CB 3.25Å; Y62-S66 PolarHBondContact O-N 2.99Å; Y62-S66 PolarHBondContact O-OG 3.44Å; S66-K69 PolarHBondContact O-N 2.83Å; S66-T70 WeakPolarHBondContact O-CG2 3.03Å; S66-T70 PolarHBondContact O-N 2.97Å; S66-T70 PolarHBondContact O-OG1 3.37Å
67L78.8Confident73.1Confident94 Ų94111.3 Ų111.349%0.49255%0.553SS.*Hα-helixtrans-69.6-36.7176.7-169140.6000112.5L63 W64 K69 T70 I71L63-L67 VanDerWaalsContact O-CB 3.28Å; L63-L67 WeakPolarHBondContact O-CB 3.48Å; L63-L67 PolarHBondContact O-N 2.86Å; W64-L67 PolarHBondContact O-N 3.39Å; L67-K69 VanDerWaalsContact C-N 3.33Å; L67-T70 WeakPolarHBondContact CA-OG1 3.42Å; L67-T70 PolarHBondContact O-OG1 3.34Å; L67-I71 HydrophobicContact CD2-CD1 3.57Å; L67-I71 HydrophobicContact CG-CD1 4.41Å; L67-I71 VanDerWaalsContact O-CG1 3.26Å; L67-I71 WeakPolarHBondContact O-CG1 3.39Å; L67-I71 PolarHBondContact O-N 3.39Å; L67-I71 VanDerWaalsContact O-N 3.13Å
68L79.9Confident71.7Confident78 Ų78113.3 Ų113.341%0.40856%0.556SS.*Hα-helixtrans-64.8-40.4171-10295.9000111.5W64 V65 I71 F72W64-L68 HydrophobicContact CD2-CD1 4.47Å; W64-L68 HydrophobicContact CE3-CD1 3.34Å; W64-L68 HydrophobicContact CZ3-CD1 3.7Å; W64-L68 WeakPolarHBondContact O-CB 3.39Å; W64-L68 VanDerWaalsContact O-CD1 3.25Å; W64-L68 WeakPolarHBondContact O-CD1 3.37Å; W64-L68 PolarHBondContact O-N 2.88Å; V65-L68 PolarHBondContact O-N 3.26Å; L68-I71 PolarHBondContact O-N 3.29Å; L68-F72 WeakPolarHBondContact O-CB 3.44Å; L68-F72 PolarHBondContact O-N 3.48Å
69K72.9Confident70.1Confident158 Ų158113.6 Ų113.669%0.68756%0.559SS**Hα-helixtrans-65.4-41.9-179.8-171.9163.9178163.80111.1V65 S66 L67 F72 W73V65-K69 VanDerWaalsContact O-CB 3.27Å; V65-K69 WeakPolarHBondContact O-CB 3.37Å; V65-K69 PolarHBondContact O-N 2.97Å; S66-K69 PolarHBondContact O-N 2.83Å; L67-K69 VanDerWaalsContact C-N 3.33Å; K69-F72 PolarHBondContact O-N 2.84Å; K69-W73 VanDerWaalsContact O-CB 3.23Å; K69-W73 WeakPolarHBondContact O-CB 3.35Å; K69-W73 PolarHBondContact O-N 3.03Å
70T69.4Low68.6Low93 Ų93108.2 Ų108.257%0.57156%0.555SS**Hα-helixtrans-64.7-41.8174.753.70000112.3S66 L67 W73 S74S66-T70 WeakPolarHBondContact O-CG2 3.03Å; S66-T70 PolarHBondContact O-N 2.97Å; S66-T70 PolarHBondContact O-OG1 3.37Å; L67-T70 WeakPolarHBondContact CA-OG1 3.42Å; L67-T70 PolarHBondContact O-OG1 3.34Å; T70-W73 PolarHBondContact O-N 3.03Å; T70-S74 WeakPolarHBondContact O-CB 3.33Å; T70-S74 PolarHBondContact O-N 3.36Å
71I71.6Confident66.9Low92 Ų92107.3 Ų107.347%0.47256%0.557SS.*Hα-helixtrans-64.2-45.5176.6-67.7170.6000111.4L67 L68 S74 R75L67-I71 HydrophobicContact CD2-CD1 3.57Å; L67-I71 HydrophobicContact CG-CD1 4.41Å; L67-I71 VanDerWaalsContact O-CG1 3.26Å; L67-I71 WeakPolarHBondContact O-CG1 3.39Å; L67-I71 PolarHBondContact O-N 3.39Å; L67-I71 VanDerWaalsContact O-N 3.13Å; L68-I71 PolarHBondContact O-N 3.29Å; I71-S74 PolarHBondContact O-N 2.92Å; I71-S74 PolarHBondContact O-OG 3.33Å; I71-R75 PolarHBondContact O-N 2.84Å
72F61.7Low65.3Low130 Ų130107.3 Ų107.357%0.5756%0.557SS**Hα-helixtrans-68.9-36.2179.5-99.2-90.1000112.8L68 K69 R75 N76L68-F72 WeakPolarHBondContact O-CB 3.44Å; L68-F72 PolarHBondContact O-N 3.48Å; K69-F72 PolarHBondContact O-N 2.84Å; F72-R75 PolarHBondContact O-N 3.43Å; F72-R75 VanDerWaalsContact O-N 3.16Å; F72-N76 PolarHBondContact O-N 3.23Å
73W52.5Low64Low211 Ų211103.9 Ų103.980%0.79955%0.549SS*.Hα-helixtrans-70-35.5177.2-148.543000111.9K69 T70 R75 G77K69-W73 VanDerWaalsContact O-CB 3.23Å; K69-W73 WeakPolarHBondContact O-CB 3.35Å; K69-W73 PolarHBondContact O-N 3.03Å; T70-W73 PolarHBondContact O-N 3.03Å; W73-R75 PolarHBondContact O-N 3.13Å; W73-R75 VanDerWaalsContact O-N 3.17Å; W73-G77 PolarHBondContact O-N 2.92Å
74S54.2Low62.6Low78 Ų78104 Ų10455%0.54555%0.553SS.*Hα-helixtrans-61.9-21.7171.382.20000113.5T70 I71T70-S74 WeakPolarHBondContact O-CB 3.33Å; T70-S74 PolarHBondContact O-N 3.36Å; I71-S74 PolarHBondContact O-N 2.92Å; I71-S74 PolarHBondContact O-OG 3.33Å
75R49.4Very low61.1Low137 Ų137102.9 Ų102.952%0.51756%0.556SS.*Hα-helixtrans-94.8-39-176.6-168.1143157.6176.9-7.6112.6I71 F72 W73 G77 H78I71-R75 PolarHBondContact O-N 2.84Å; F72-R75 PolarHBondContact O-N 3.43Å; F72-R75 VanDerWaalsContact O-N 3.16Å; W73-R75 PolarHBondContact O-N 3.13Å; W73-R75 VanDerWaalsContact O-N 3.17Å; R75-G77 VanDerWaalsContact C-N 3.29Å; R75-G77 PolarHBondContact O-N 2.97Å; R75-H78 PolarHBondContact O-N 2.93Å
76N49.3Very low59.9Low116 Ų116104 Ų10462%0.6256%0.555SS**Hα-helixtrans-74.5-16.1179.3-73.64.4000113.8F72F72-N76 PolarHBondContact O-N 3.23Å
77G50.2Low59Low63 Ų63110.2 Ų110.265%0.64957%0.571SS**THydrogen-bonded Turntrans-82.7-8.8175.100000115.3W73 R75W73-G77 PolarHBondContact O-N 2.92Å; R75-G77 VanDerWaalsContact C-N 3.29Å; R75-G77 PolarHBondContact O-N 2.97Å
78H50.3Low58.1Low125 Ų125108.3 Ų108.358%0.57957%0.57SS**SBendtrans-102.6-4.4-171.8-93.6-39.5000115.6R75 T82R75-H78 PolarHBondContact O-N 2.93Å; H78-T82 PolarHBondContact O-OG1 2.86Å
79D49.5Very low57Low120 Ų120112 Ų11264%0.64258%0.578SS**THydrogen-bonded Turntrans-82.3-14.5-173.8-73-19.5000113.9
80G52.6Low56.2Low55 Ų55112.3 Ų112.357%0.56758%0.575SS**THydrogen-bonded Turntrans-87.9-30.4174.300000114.7
81S52.6Low55.7Low66 Ų66111.7 Ų111.746%0.46257%0.574SS.*Hα-helixtrans-82.4-28.6-173.4175.60000113.2Q85S81-Q85 WeakPolarHBondContact O-CG 3.04Å; S81-Q85 PolarHBondContact O-N 3.48Å
82T55.2Low55.1Low81 Ų81112.2 Ų112.250%0.49758%0.578SS.*Hα-helixtrans-73.5-36.1-17843.30000111.8H78 Q86H78-T82 PolarHBondContact O-OG1 2.86Å; T82-Q86 WeakPolarHBondContact O-CB 3.43Å; T82-Q86 PolarHBondContact O-N 3.45Å
83D58.6Low54.8Low86 Ų86111.6 Ų111.646%0.4657%0.572SS.*Hα-helixtrans-66.5-41.9176.4-169.665000112.1Q86 R87D83-Q86 PolarHBondContact O-N 3.49Å; D83-R87 WeakPolarHBondContact O-CB 3.21Å; D83-R87 PolarHBondContact O-N 2.92Å; D83-R87 IonicContact OD2-CZ 3.88Å; D83-R87 IonicContact OD2-NH2 3.86Å
84V57.5Low55Low99 Ų99111.4 Ų111.460%0.657%0.571SS**Hα-helixtrans-66-44.7178-179.90000111.4R87 A88V84-R87 PolarHBondContact O-N 3.37Å; V84-A88 WeakPolarHBondContact O-CB 3.42Å; V84-A88 PolarHBondContact O-N 2.91Å
85Q54.7Low54.9Low146 Ų146117.2 Ų117.268%0.68258%0.581SS**Hα-helixtrans-66.7-37.2176.7-70.6-128-33.800112.1S81 W89S81-Q85 WeakPolarHBondContact O-CG 3.04Å; S81-Q85 PolarHBondContact O-N 3.48Å; Q85-W89 VanDerWaalsContact O-CB 3.24Å; Q85-W89 WeakPolarHBondContact O-CB 2.86Å; Q85-W89 PolarHBondContact O-N 3.34Å
86Q57.3Low54.9Low111 Ų111115.6 Ų115.652%0.51958%0.58SS.*Hα-helixtrans-72-33.9177.7-166136.4-45.100112.2T82 D83 R90T82-Q86 WeakPolarHBondContact O-CB 3.43Å; T82-Q86 PolarHBondContact O-N 3.45Å; D83-Q86 PolarHBondContact O-N 3.49Å; Q86-R90 WeakPolarHBondContact O-CB 3.37Å; Q86-R90 WeakPolarHBondContact O-CG 3.14Å; Q86-R90 PolarHBondContact O-N 2.98Å
87R61.7Low55.1Low175 Ų175115.6 Ų115.666%0.6658%0.576SS**Hα-helixtrans-70.4-41.5173.5-170.9175.6-84.5170.7-3.7111.5D83 V84 R90 S91D83-R87 WeakPolarHBondContact O-CB 3.21Å; D83-R87 PolarHBondContact O-N 2.92Å; D83-R87 IonicContact OD2-CZ 3.88Å; D83-R87 IonicContact OD2-NH2 3.86Å; V84-R87 PolarHBondContact O-N 3.37Å; R87-R90 PolarHBondContact O-N 3.15Å; R87-S91 PolarHBondContact O-N 2.86Å; R87-S91 VanDerWaalsContact O-N 3.1Å
88A58.3Low55.2Low55 Ų55115.8 Ų115.846%0.45558%0.578SS.*Hα-helixtrans-64-40.5172.100000112V84 S91 N92V84-A88 WeakPolarHBondContact O-CB 3.42Å; V84-A88 PolarHBondContact O-N 2.91Å; A88-S91 PolarHBondContact O-N 2.98Å; A88-N92 PolarHBondContact O-N 2.99Å
89W57.9Low55Low156 Ų156116.5 Ų116.559%0.59159%0.585SS**Hα-helixtrans-66.8-40.5177.2-169.282.5000112.8Q85 S91 N92 R93Q85-W89 VanDerWaalsContact O-CB 3.24Å; Q85-W89 WeakPolarHBondContact O-CB 2.86Å; Q85-W89 PolarHBondContact O-N 3.34Å; W89-S91 VanDerWaalsContact C-N 3.32Å; W89-S91 PolarHBondContact O-N 3.01Å; W89-N92 PolarHBondContact O-N 2.85Å; W89-R93 WeakPolarHBondContact O-CB 3.43Å; W89-R93 PolarHBondContact O-N 3.15Å
90R56.7Low54.9Low163 Ų163118.6 Ų118.662%0.61558%0.584SS**Hα-helixtrans-63.9-35.4173.8-79.7-177178.8158.4-0.6112.6Q86 R87 R94Q86-R90 WeakPolarHBondContact O-CB 3.37Å; Q86-R90 WeakPolarHBondContact O-CG 3.14Å; Q86-R90 PolarHBondContact O-N 2.98Å; R87-R90 PolarHBondContact O-N 3.15Å; R90-R94 PolarHBondContact O-N 3.49Å
91S57.3Low54.6Low80 Ų80121.4 Ų121.456%0.55960%0.595SS**Hα-helixtrans-69-44.8176.2-176.70000112.2R87 A88 W89 R93 R94 R95R87-S91 PolarHBondContact O-N 2.86Å; R87-S91 VanDerWaalsContact O-N 3.1Å; A88-S91 PolarHBondContact O-N 2.98Å; W89-S91 VanDerWaalsContact C-N 3.32Å; W89-S91 PolarHBondContact O-N 3.01Å; S91-R93 VanDerWaalsContact C-N 3.34Å; S91-R93 PolarHBondContact O-N 3.33Å; S91-R94 PolarHBondContact O-N 3.13Å; S91-R95 PolarHBondContact O-N 3.32Å
92N58.7Low54.5Low104 Ų104125 Ų12556%0.55661%0.608SS**Hα-helixtrans-69-29.8177.3-103.7-28.3000113.3A88 W89 R95 Q96A88-N92 PolarHBondContact O-N 2.99Å; W89-N92 PolarHBondContact O-N 2.85Å; N92-R95 PolarHBondContact O-N 3.47Å; N92-Q96 PolarHBondContact O-N 3.18Å
93R55.8Low54Low117 Ų117126.1 Ų126.144%0.44262%0.617SS.*Hα-helixtrans-66.6-41.8176.8-169.5168.1-176167.62.8112.4W89 S91 Q96 E97W89-R93 WeakPolarHBondContact O-CB 3.43Å; W89-R93 PolarHBondContact O-N 3.15Å; S91-R93 VanDerWaalsContact C-N 3.34Å; S91-R93 PolarHBondContact O-N 3.33Å; R93-Q96 PolarHBondContact O-N 2.65Å; R93-E97 IonicContact NE-OE1 2.86Å; R93-E97 WeakPolarHBondContact O-CG 3.04Å; R93-E97 PolarHBondContact O-N 3.25Å
94R57.5Low53.4Low207 Ų207131 Ų13178%0.78164%0.64SS**Hα-helixtrans-65.5-36.5174.4-70.5-169.5-172.7-173.82.3112.6R90 S91R90-R94 PolarHBondContact O-N 3.49Å; S91-R94 PolarHBondContact O-N 3.13Å
95R52.6Low52.5Low200 Ų200134.2 Ų134.276%0.75565%0.648SS**Hα-helixtrans-68.4-34.1173.9-108-171.7-178.8-174.81.3113.2S91 N92S91-R95 PolarHBondContact O-N 3.32Å; N92-R95 PolarHBondContact O-N 3.47Å
96Q49.1Very low52.3Low103 Ų103133.9 Ų133.948%0.48166%0.656SS.*Hα-helixtrans-77.9-26.7176.3-81.6-150.5-6.800113.9N92 R93 G98 L99 R100N92-Q96 PolarHBondContact O-N 3.18Å; R93-Q96 PolarHBondContact O-N 2.65Å; Q96-G98 PolarHBondContact O-N 2.92Å; Q96-L99 PolarHBondContact O-N 3.29Å; Q96-R100 VanDerWaalsContact O-CB 3.3Å; Q96-R100 WeakPolarHBondContact O-CB 3.08Å; Q96-R100 WeakPolarHBondContact O-CG 3.11Å; Q96-R100 PolarHBondContact O-N 3.34Å
97E52.2Low51.4Low115 Ų115138 Ų13854%0.53767%0.672SS.*Hα-helixtrans-64-25.8175.3-78.8163-174.600112.2R93R93-E97 IonicContact NE-OE1 2.86Å; R93-E97 WeakPolarHBondContact O-CG 3.04Å; R93-E97 PolarHBondContact O-N 3.25Å
98G53.6Low50.7Low68 Ų68139.7 Ų139.770%0.70168%0.684SS**THydrogen-bonded Turntrans-79.7-14.7169.800000115.8Q96Q96-G98 PolarHBondContact O-N 2.92Å
99L46.5Very low49.9Very low139 Ų139148.6 Ų148.673%0.72871%0.706SS**THydrogen-bonded Turntrans-109.4-2.7-179.3-81.4165000113.4Q96 S101Q96-L99 PolarHBondContact O-N 3.29Å; L99-S101 VanDerWaalsContact C-N 3.34Å; L99-S101 PolarHBondContact O-N 2.92Å
100R46.2Very low49Very low165 Ų165147.7 Ų147.762%0.62372%0.718SS**THydrogen-bonded Turntrans-85.18.9-170.9-96.3176.4-179.4-148-0.4115.8Q96 I102Q96-R100 VanDerWaalsContact O-CB 3.3Å; Q96-R100 WeakPolarHBondContact O-CB 3.08Å; Q96-R100 WeakPolarHBondContact O-CG 3.11Å; Q96-R100 PolarHBondContact O-N 3.34Å; R100-I102 VanDerWaalsContact C-N 3.32Å
101S47.3Very low48.4Very low113 Ų113145 Ų14579%0.7972%0.724SS**THydrogen-bonded Turntrans-83.6-5.3171.457.80000113.7L99L99-S101 VanDerWaalsContact C-N 3.34Å; L99-S101 PolarHBondContact O-N 2.92Å
102I49.3Very low47.9Very low142 Ų142146.5 Ų146.573%0.72874%0.735SS**SBendtrans-129.5125.9-179.1-52178.1000110.1R100R100-I102 VanDerWaalsContact C-N 3.32Å
103C45.2Very low47.2Very low104 Ų104151.4 Ų151.470%0.70375%0.751SS**  trans89.888.1168.3-159.10000116.9
104M46.1Very low46.5Very low190 Ų190157 Ų15794%0.93677%0.772SS**  trans-76.5119148-84.8-130.9131.200109.2
105H38.3Very low46Very low166 Ų166149.8 Ų149.877%0.76976%0.762SS**  trans-137.5127.5154-104-75000110.6K107H105-K107 PolarHBondContact O-N 2.92Å
106T51Low46.2Very low139 Ų139147 Ų14785%0.85376%0.762SS**  trans-61.5109.5-177.241.50000111.6
107K38.2Very low46.8Very low196 Ų196151.6 Ų151.685%0.85278%0.781SS**  trans-111.2103.4161.7-86.5-176.4175.91780109.7H105 R109H105-K107 PolarHBondContact O-N 2.92Å; K107-R109 PolarHBondContact O-N 3.39Å; K107-R109 VanDerWaalsContact O-N 3.15Å
108K47.8Very low47.2Very low211 Ų211151.8 Ų151.892%0.91778%0.784SS**  trans-49.4114.9164.4-83.6179.9173.8176.50108.5V110K108-V110 PolarHBondContact O-N 3.4Å
109R40.9Very low48Very low242 Ų242149.9 Ų149.991%0.91377%0.765SS**  trans-83.5112.2168.5-73-169.5178.8-162.1-0.8108.4K107 S111K107-R109 PolarHBondContact O-N 3.39Å; K107-R109 VanDerWaalsContact O-N 3.15Å; R109-S111 PolarHBondContact O-N 3.25Å
110V39.3Very low49.2Very low137 Ų137147.7 Ų147.783%0.8375%0.753SS**  trans-55.3126.5162.8174.30000107.7K108 S112K108-V110 PolarHBondContact O-N 3.4Å; V110-S112 PolarHBondContact O-N 2.98Å; V110-S112 VanDerWaalsContact O-N 3.12Å
111S43.1Very low50.4Low106 Ų106148 Ų14874%0.74176%0.759SS**  trans-58.6111.1-177.851.80000110.5R109 F113R109-S111 PolarHBondContact O-N 3.25Å; S111-F113 PolarHBondContact O-N 2.86Å
112S47.7Very low51.7Low113 Ų113146.7 Ų146.779%0.7974%0.743SS**  trans-61.4130.3169.753.70000109.9V110 R114V110-S112 PolarHBondContact O-N 2.98Å; V110-S112 VanDerWaalsContact O-N 3.12Å; S112-R114 PolarHBondContact O-N 3.46Å
113F43.4Very low53Low206 Ų206143.8 Ų143.890%0.90473%0.732SS**  trans-36.5131.3175.9-90.8-105.2000113.7S111 G115S111-F113 PolarHBondContact O-N 2.86Å; F113-G115 VanDerWaalsContact C-N 3.28Å; F113-G115 PolarHBondContact O-N 2.98Å
114R42.3Very low54.7Low235 Ų235142.2 Ų142.289%0.88772%0.716SS**  trans-69.982175.1-167-179.2-160.8-128.36.8109.5S112 N116S112-R114 PolarHBondContact O-N 3.46Å; R114-N116 PolarHBondContact O-N 3.36Å
115G45.8Very low56.4Low55 Ų55137.1 Ų137.157%0.56770%0.695SS**  trans-61.8123.9171.300000110.2F113 K117F113-G115 VanDerWaalsContact C-N 3.28Å; F113-G115 PolarHBondContact O-N 2.98Å; G115-K117 VanDerWaalsContact C-N 3.28Å; G115-K117 PolarHBondContact O-N 3.04Å
116N58Low58.4Low141 Ų141134.4 Ų134.475%0.75469%0.686SS**  trans-63.788.6171.3-87.2-4.3000109.4R114 I118R114-N116 PolarHBondContact O-N 3.36Å; N116-I118 PolarHBondContact O-N 3.3Å
117K60.3Low60.1Low200 Ų200135.9 Ų135.987%0.8768%0.676SS**  trans-75.381.9167.5-65.4-178.6-177-178.90107.6G115 G119G115-K117 VanDerWaalsContact C-N 3.28Å; G115-K117 PolarHBondContact O-N 3.04Å; K117-G119 PolarHBondContact O-N 3.43Å
118I61Low62.4Low119 Ų119134.7 Ų134.761%0.6167%0.666SS**  trans-66.5103.9168.5-64.9167.8000105.8N116 D122 V123N116-I118 PolarHBondContact O-N 3.3Å; I118-D122 HydrophobicContact CG2-CB 4.06Å; I118-V123 HydrophobicContact CG2-CG2 3.78Å
119G69.8Low64.2Low29 Ų29128.9 Ų128.930%0.29964%0.642SS.*  trans-67.8151.6-178.900000109.7K117 K121 D122 V123K117-G119 PolarHBondContact O-N 3.43Å; G119-K121 PolarHBondContact O-N 2.82Å; G119-D122 PolarHBondContact N-OD2 3.31Å; G119-D122 WeakPolarHBondContact O-CB 3.3Å; G119-D122 PolarHBondContact O-N 3.35Å; G119-V123 PolarHBondContact O-N 2.8Å
120L71.5Confident66.4Low92 Ų92121 Ų12148%0.48262%0.621SS.*Hα-helixtrans-51-32169.9177.863.9000111.5D122 V123 I124L120-D122 VanDerWaalsContact C-N 3.35Å; L120-D122 PolarHBondContact O-N 3.48Å; L120-V123 PolarHBondContact O-N 3.04Å; L120-I124 HydrophobicContact CD1-CD1 4.15Å; L120-I124 HydrophobicContact CD1-CG1 4.36Å; L120-I124 HydrophobicContact CD2-CD1 4.38Å; L120-I124 HydrophobicContact CG-CD1 3.79Å; L120-I124 HydrophobicContact CG-CG1 4.43Å; L120-I124 WeakPolarHBondContact O-CD1 3.21Å; L120-I124 VanDerWaalsContact O-CG1 3.22Å; L120-I124 WeakPolarHBondContact O-CG1 3.3Å; L120-I124 PolarHBondContact O-N 3.37Å
121K72.6Confident68.5Low171 Ų171117.9 Ų117.974%0.74360%0.597SS**Hα-helixtrans-59.6-41.8174-66.7-178.1178.9179.70112.3G119 I124 T125G119-K121 PolarHBondContact O-N 2.82Å; K121-I124 PolarHBondContact O-N 2.92Å; K121-T125 VanDerWaalsContact O-CG2 3.3Å; K121-T125 WeakPolarHBondContact O-CG2 3.4Å; K121-T125 PolarHBondContact O-N 2.89Å; K121-T125 PolarHBondContact O-OG1 3.31Å; K121-T125 VanDerWaalsContact O-OG1 3.13Å
122D74.8Confident70.7Confident87 Ų87116.9 Ų116.947%0.46559%0.587SS.*Hα-helixtrans-70.3-34.9-179.2-56.5-37.5000111.9I118 G119 L120 T125 L126I118-D122 HydrophobicContact CG2-CB 4.06Å; G119-D122 PolarHBondContact N-OD2 3.31Å; G119-D122 WeakPolarHBondContact O-CB 3.3Å; G119-D122 PolarHBondContact O-N 3.35Å; L120-D122 VanDerWaalsContact C-N 3.35Å; L120-D122 PolarHBondContact O-N 3.48Å; D122-T125 WeakPolarHBondContact CA-OG1 3.5Å; D122-T125 PolarHBondContact O-OG1 3.44Å; D122-L126 VanDerWaalsContact O-CB 3.23Å; D122-L126 WeakPolarHBondContact O-CB 3.34Å; D122-L126 PolarHBondContact O-N 2.92Å
123V76.7Confident72.7Confident80 Ų80117.2 Ų117.249%0.48557%0.574SS.*Hα-helixtrans-68.9-41.2174.5-178.20000110.8I118 G119 L120 L126 R127I118-V123 HydrophobicContact CG2-CG2 3.78Å; G119-V123 PolarHBondContact O-N 2.8Å; L120-V123 PolarHBondContact O-N 3.04Å; V123-L126 PolarHBondContact O-N 3.26Å; V123-R127 WeakPolarHBondContact O-CB 3.5Å; V123-R127 PolarHBondContact O-N 2.87Å
124I79.3Confident74.9Confident71 Ų71110.9 Ų110.936%0.36455%0.552SS.*Hα-helixtrans-67.6-41.7178.4-67.5166.8000111L120 K121 R127 R128L120-I124 HydrophobicContact CD1-CD1 4.15Å; L120-I124 HydrophobicContact CD1-CG1 4.36Å; L120-I124 HydrophobicContact CD2-CD1 4.38Å; L120-I124 HydrophobicContact CG-CD1 3.79Å; L120-I124 HydrophobicContact CG-CG1 4.43Å; L120-I124 WeakPolarHBondContact O-CD1 3.21Å; L120-I124 VanDerWaalsContact O-CG1 3.22Å; L120-I124 WeakPolarHBondContact O-CG1 3.3Å; L120-I124 PolarHBondContact O-N 3.37Å; K121-I124 PolarHBondContact O-N 2.92Å; I124-R127 PolarHBondContact O-N 3.42Å; I124-R128 WeakPolarHBondContact O-CG 3.26Å; I124-R128 PolarHBondContact O-N 2.78Å
125T83.7Confident76.9Confident83 Ų83107.3 Ų107.351%0.50954%0.539SS..Hα-helixtrans-66-42.7176.653.30000111.1K121 D122 R127 R128 H129K121-T125 VanDerWaalsContact O-CG2 3.3Å; K121-T125 WeakPolarHBondContact O-CG2 3.4Å; K121-T125 PolarHBondContact O-N 2.89Å; K121-T125 PolarHBondContact O-OG1 3.31Å; K121-T125 VanDerWaalsContact O-OG1 3.13Å; D122-T125 WeakPolarHBondContact CA-OG1 3.5Å; D122-T125 PolarHBondContact O-OG1 3.44Å; T125-R127 PolarHBondContact O-N 2.94Å; T125-R128 PolarHBondContact O-N 3.48Å; T125-H129 WeakPolarHBondContact O-CB 3.4Å; T125-H129 PolarHBondContact O-N 3.42Å
126L80Confident78.8Confident110 Ų110107 Ų10758%0.57653%0.531SS*.Hα-helixtrans-61.8-44.2175.9-17266.2000111.6D122 V123 H129 V130D122-L126 VanDerWaalsContact O-CB 3.23Å; D122-L126 WeakPolarHBondContact O-CB 3.34Å; D122-L126 PolarHBondContact O-N 2.92Å; V123-L126 PolarHBondContact O-N 3.26Å; L126-H129 PolarHBondContact O-N 3.17Å; L126-V130 WeakPolarHBondContact O-CG2 3.35Å; L126-V130 PolarHBondContact O-N 2.89Å
127R86.5Confident80.1Confident169 Ų169107.9 Ų107.964%0.63853%0.528SS*.Hα-helixtrans-59.3-49.3175.6-178.7-177.2168-169.7-0.4111.5V123 I124 T125 H129 V130 E131V123-R127 WeakPolarHBondContact O-CB 3.5Å; V123-R127 PolarHBondContact O-N 2.87Å; I124-R127 PolarHBondContact O-N 3.42Å; T125-R127 PolarHBondContact O-N 2.94Å; R127-H129 VanDerWaalsContact C-N 3.29Å; R127-H129 PolarHBondContact O-N 2.87Å; R127-V130 PolarHBondContact O-N 3.46Å; R127-E131 IonicContact CZ-OE1 3.84Å; R127-E131 IonicContact NE-OE1 3.52Å; R127-E131 PolarHBondContact NE-OE1 2.99Å; R127-E131 IonicContact NH2-OE1 2.99Å; R127-E131 PolarHBondContact NH2-OE1 2.88Å; R127-E131 VanDerWaalsContact NH2-OE1 3.15Å; R127-E131 WeakPolarHBondContact O-CG 3.43Å; R127-E131 PolarHBondContact O-N 3.2Å
128R85.8Confident81.2Confident172 Ų172102.4 Ų102.465%0.64951%0.507SS*.Hα-helixtrans-59.7-41.2177.8-74.9179.4177-176.2-0.1111.6I124 T125 E131 T132I124-R128 WeakPolarHBondContact O-CG 3.26Å; I124-R128 PolarHBondContact O-N 2.78Å; T125-R128 PolarHBondContact O-N 3.48Å; R128-E131 PolarHBondContact O-N 3.41Å; R128-T132 WeakPolarHBondContact O-CG2 3.34Å; R128-T132 PolarHBondContact O-N 2.88Å; R128-T132 PolarHBondContact O-OG1 3.34Å
129H85.1Confident82.1Confident88 Ų88105.6 Ų105.641%0.40751%0.512SS..Hα-helixtrans-66.5-38.2178.1171.8-102.8000113T125 L126 R127 T132 K133T125-H129 WeakPolarHBondContact O-CB 3.4Å; T125-H129 PolarHBondContact O-N 3.42Å; L126-H129 PolarHBondContact O-N 3.17Å; R127-H129 VanDerWaalsContact C-N 3.29Å; R127-H129 PolarHBondContact O-N 2.87Å; H129-T132 PolarHBondContact O-OG1 2.88Å; H129-K133 VanDerWaalsContact CE1-CE 3.4Å; H129-K133 WeakPolarHBondContact CE1-CE 3.43Å; H129-K133 PolarHBondContact CE1-NZ 3.38Å; H129-K133 VanDerWaalsContact CE1-NZ 3.31Å; H129-K133 WeakPolarHBondContact NE2-CE 3.46Å; H129-K133 PolarHBondContact NE2-NZ 3.01Å; H129-K133 WeakPolarHBondContact O-CG 3.43Å; H129-K133 PolarHBondContact O-N 2.86Å
130V88.3Confident82.5Confident77 Ų77111.7 Ų111.747%0.46753%0.53SS..Hα-helixtrans-68.5-43.7174.2172.90000110.6L126 R127 T132 K133 V134L126-V130 WeakPolarHBondContact O-CG2 3.35Å; L126-V130 PolarHBondContact O-N 2.89Å; R127-V130 PolarHBondContact O-N 3.46Å; V130-T132 PolarHBondContact O-N 3.4Å; V130-K133 PolarHBondContact O-N 3.35Å; V130-V134 HydrophobicContact CG1-CG2 4.33Å; V130-V134 WeakPolarHBondContact O-CG2 3.47Å; V130-V134 PolarHBondContact O-N 3.36Å
131E83.1Confident82.6Confident71 Ų71116.5 Ų116.533%0.33254%0.542SS..Hα-helixtrans-60.9-41.4178.2-76.4-178.5-17100112.2R127 R128 V134 R135R127-E131 IonicContact CZ-OE1 3.84Å; R127-E131 IonicContact NE-OE1 3.52Å; R127-E131 PolarHBondContact NE-OE1 2.99Å; R127-E131 IonicContact NH2-OE1 2.99Å; R127-E131 PolarHBondContact NH2-OE1 2.88Å; R127-E131 VanDerWaalsContact NH2-OE1 3.15Å; R127-E131 WeakPolarHBondContact O-CG 3.43Å; R127-E131 PolarHBondContact O-N 3.2Å; R128-E131 PolarHBondContact O-N 3.41Å; E131-V134 PolarHBondContact O-N 2.9Å; E131-R135 WeakPolarHBondContact O-CB 3.34Å; E131-R135 VanDerWaalsContact O-CG 3.26Å; E131-R135 WeakPolarHBondContact O-CG 3.33Å; E131-R135 PolarHBondContact O-N 3.02Å
132T89.5Confident82.5Confident85 Ų85115.6 Ų115.652%0.52154%0.537SS..Hα-helixtrans-66.4-41.7176.355.40000111.9R128 H129 V130 V134 R135 A136R128-T132 WeakPolarHBondContact O-CG2 3.34Å; R128-T132 PolarHBondContact O-N 2.88Å; R128-T132 PolarHBondContact O-OG1 3.34Å; H129-T132 PolarHBondContact O-OG1 2.88Å; V130-T132 PolarHBondContact O-N 3.4Å; T132-V134 PolarHBondContact O-N 3.24Å; T132-R135 PolarHBondContact O-N 3.13Å; T132-A136 WeakPolarHBondContact O-CB 3.4Å; T132-A136 PolarHBondContact O-N 3.47Å
133K88.8Confident82.3Confident120 Ų120115.4 Ų115.452%0.52254%0.539SS..Hα-helixtrans-61.4-42.5174.8-80.7-171.9173.4179.20112.3H129 V130 A136 K137H129-K133 VanDerWaalsContact CE1-CE 3.4Å; H129-K133 WeakPolarHBondContact CE1-CE 3.43Å; H129-K133 PolarHBondContact CE1-NZ 3.38Å; H129-K133 VanDerWaalsContact CE1-NZ 3.31Å; H129-K133 WeakPolarHBondContact NE2-CE 3.46Å; H129-K133 PolarHBondContact NE2-NZ 3.01Å; H129-K133 WeakPolarHBondContact O-CG 3.43Å; H129-K133 PolarHBondContact O-N 2.86Å; V130-K133 PolarHBondContact O-N 3.35Å; K133-A136 PolarHBondContact O-N 3.33Å; K133-K137 WeakPolarHBondContact O-CG 3.4Å; K133-K137 PolarHBondContact O-N 2.89Å
134V90.3Very high81.5Confident74 Ų74115.2 Ų115.245%0.44854%0.539SS..Hα-helixtrans-66.2-45.8177.31720000110.7V130 E131 T132 A136 K137 I138V130-V134 HydrophobicContact CG1-CG2 4.33Å; V130-V134 WeakPolarHBondContact O-CG2 3.47Å; V130-V134 PolarHBondContact O-N 3.36Å; E131-V134 PolarHBondContact O-N 2.9Å; T132-V134 PolarHBondContact O-N 3.24Å; V134-A136 VanDerWaalsContact C-N 3.33Å; V134-A136 PolarHBondContact O-N 3.01Å; V134-K137 PolarHBondContact O-N 3.46Å; V134-I138 HydrophobicContact CG1-CD1 3.8Å; V134-I138 HydrophobicContact CG1-CG1 4.41Å; V134-I138 WeakPolarHBondContact O-CG1 3.39Å; V134-I138 PolarHBondContact O-N 2.94Å
135R84.8Confident80.6Confident160 Ų160115.2 Ų115.260%0.60454%0.542SS*.Hα-helixtrans-60.3-41.6176.1-74176.2-178.1-159.71.7112.1E131 T132 I138 R139E131-R135 WeakPolarHBondContact O-CB 3.34Å; E131-R135 VanDerWaalsContact O-CG 3.26Å; E131-R135 WeakPolarHBondContact O-CG 3.33Å; E131-R135 PolarHBondContact O-N 3.02Å; T132-R135 PolarHBondContact O-N 3.13Å; R135-I138 PolarHBondContact O-N 3.03Å; R135-R139 WeakPolarHBondContact O-CB 3.48Å; R135-R139 WeakPolarHBondContact O-CG 3.45Å; R135-R139 PolarHBondContact O-N 3.12Å
136A85.1Confident79.4Confident48 Ų48119.5 Ų119.540%0.39755%0.553SS.*Hα-helixtrans-63.6-42.6175.800000111.8T132 K133 V134 R139 K140T132-A136 WeakPolarHBondContact O-CB 3.4Å; T132-A136 PolarHBondContact O-N 3.47Å; K133-A136 PolarHBondContact O-N 3.33Å; V134-A136 VanDerWaalsContact C-N 3.33Å; V134-A136 PolarHBondContact O-N 3.01Å; A136-R139 PolarHBondContact O-N 2.87Å; A136-K140 WeakPolarHBondContact O-CB 3.31Å; A136-K140 WeakPolarHBondContact O-CG 3.37Å; A136-K140 PolarHBondContact O-N 3.36Å
137K84.3Confident78.3Confident160 Ų160120 Ų12070%0.69656%0.556SS**Hα-helixtrans-62.6-42.6174-77.4-178.7177.1-1760112.2K133 V134 K140 R141K133-K137 WeakPolarHBondContact O-CG 3.4Å; K133-K137 PolarHBondContact O-N 2.89Å; V134-K137 PolarHBondContact O-N 3.46Å; K137-K140 PolarHBondContact O-N 3.49Å; K137-R141 WeakPolarHBondContact O-CB 3.49Å; K137-R141 PolarHBondContact O-N 3.23Å
138I83.7Confident76.9Confident85 Ų85117.8 Ų117.844%0.43656%0.556SS.*Hα-helixtrans-63.8-45.2176.6-67.7167.6000110.8V134 R135 R141 K142V134-I138 HydrophobicContact CG1-CD1 3.8Å; V134-I138 HydrophobicContact CG1-CG1 4.41Å; V134-I138 WeakPolarHBondContact O-CG1 3.39Å; V134-I138 PolarHBondContact O-N 2.94Å; R135-I138 PolarHBondContact O-N 3.03Å; I138-R141 PolarHBondContact O-N 2.65Å; I138-K142 HydrophobicContact CG2-CD 4.32Å; I138-K142 HydrophobicContact CG2-CG 4.47Å; I138-K142 WeakPolarHBondContact O-CB 3.27Å; I138-K142 WeakPolarHBondContact O-CG 3.44Å; I138-K142 PolarHBondContact O-N 3.43Å
139R80.2Confident75.4Confident186 Ų186119.7 Ų119.770%0.70256%0.563SS**Hα-helixtrans-61.5-47.7176.3-75.2179.7179.4179.3-0.9111.4R135 A136 R141 K142 V143R135-R139 WeakPolarHBondContact O-CB 3.48Å; R135-R139 WeakPolarHBondContact O-CG 3.45Å; R135-R139 PolarHBondContact O-N 3.12Å; A136-R139 PolarHBondContact O-N 2.87Å; R139-R141 PolarHBondContact O-N 2.8Å; R139-K142 PolarHBondContact O-N 3.26Å; R139-V143 WeakPolarHBondContact O-CB 3.29Å; R139-V143 VanDerWaalsContact O-CG2 3.29Å; R139-V143 WeakPolarHBondContact O-CG2 3.36Å; R139-V143 PolarHBondContact O-N 2.92Å
140K78.1Confident74Confident157 Ų157122.9 Ų122.968%0.68358%0.578SS**Hα-helixtrans-57.3-46.3174.8-76.2-173.1178.3-170.20111.7A136 K137 K142 V143 T144A136-K140 WeakPolarHBondContact O-CB 3.31Å; A136-K140 WeakPolarHBondContact O-CG 3.37Å; A136-K140 PolarHBondContact O-N 3.36Å; K137-K140 PolarHBondContact O-N 3.49Å; K140-K142 PolarHBondContact O-N 3.06Å; K140-V143 PolarHBondContact O-N 3.42Å; K140-T144 WeakPolarHBondContact O-CG2 3.23Å; K140-T144 PolarHBondContact O-N 2.89Å; K140-T144 PolarHBondContact O-OG1 2.8Å; K140-T144 VanDerWaalsContact O-OG1 3.12Å
141R73.6Confident72.4Confident193 Ų193124.8 Ų124.873%0.72859%0.586SS**Hα-helixtrans-63.5-40.2177.3-169179.2-177.8-162.61.4112.7K137 I138 R139 T144 T145K137-R141 WeakPolarHBondContact O-CB 3.49Å; K137-R141 PolarHBondContact O-N 3.23Å; I138-R141 PolarHBondContact O-N 2.65Å; R139-R141 PolarHBondContact O-N 2.8Å; R141-T144 WeakPolarHBondContact CA-OG1 3.46Å; R141-T144 PolarHBondContact O-OG1 3.07Å; R141-T145 VanDerWaalsContact O-CB 3.27Å; R141-T145 WeakPolarHBondContact O-CB 3.31Å; R141-T145 PolarHBondContact O-N 3.36Å; R141-T145 PolarHBondContact O-OG1 3.44Å
142K71.7Confident71.1Confident151 Ų151130.1 Ų130.166%0.65761%0.608SS**Hα-helixtrans-65.9-42.8175.3-78.1-174.2179.1-172.80111.6I138 R139 K140 T145 K146I138-K142 HydrophobicContact CG2-CD 4.32Å; I138-K142 HydrophobicContact CG2-CG 4.47Å; I138-K142 WeakPolarHBondContact O-CB 3.27Å; I138-K142 WeakPolarHBondContact O-CG 3.44Å; I138-K142 PolarHBondContact O-N 3.43Å; R139-K142 PolarHBondContact O-N 3.26Å; K140-K142 PolarHBondContact O-N 3.06Å; K142-T145 PolarHBondContact O-N 3.08Å; K142-K146 WeakPolarHBondContact O-CB 3.49Å; K142-K146 PolarHBondContact O-N 3.47Å
143V68.9Low69.6Low83 Ų83130.8 Ų130.850%0.50361%0.607SS.*Hα-helixtrans-62.6-48.2176.5169.80000110.6R139 K140 T145 K146 I147R139-V143 WeakPolarHBondContact O-CB 3.29Å; R139-V143 VanDerWaalsContact O-CG2 3.29Å; R139-V143 WeakPolarHBondContact O-CG2 3.36Å; R139-V143 PolarHBondContact O-N 2.92Å; K140-V143 PolarHBondContact O-N 3.42Å; V143-T145 VanDerWaalsContact C-N 3.31Å; V143-T145 PolarHBondContact O-N 3.39Å; V143-K146 PolarHBondContact O-N 2.95Å; V143-K146 VanDerWaalsContact O-N 3.14Å; V143-I147 HydrophobicContact CG1-CD1 3.69Å; V143-I147 HydrophobicContact CG1-CG1 4.43Å; V143-I147 VanDerWaalsContact O-CG1 3.29Å; V143-I147 WeakPolarHBondContact O-CG1 3.4Å; V143-I147 PolarHBondContact O-N 3.48Å
144T60.6Low68.1Low77 Ų77131.2 Ų131.247%0.47262%0.615SS.*Hα-helixtrans-65.6-34.4177.556.40000112.4K140 R141 K146 I147 N148K140-T144 WeakPolarHBondContact O-CG2 3.23Å; K140-T144 PolarHBondContact O-N 2.89Å; K140-T144 PolarHBondContact O-OG1 2.8Å; K140-T144 VanDerWaalsContact O-OG1 3.12Å; R141-T144 WeakPolarHBondContact CA-OG1 3.46Å; R141-T144 PolarHBondContact O-OG1 3.07Å; T144-K146 VanDerWaalsContact C-N 3.35Å; T144-I147 PolarHBondContact O-N 3.48Å; T144-N148 WeakPolarHBondContact O-CB 3.47Å; T144-N148 PolarHBondContact O-N 3.18Å
145T60.5Low66.3Low70 Ų70130 Ų13043%0.42962%0.618SS.*Hα-helixtrans-68.8-33.5174.1-55.70000112R141 K142 V143R141-T145 VanDerWaalsContact O-CB 3.27Å; R141-T145 WeakPolarHBondContact O-CB 3.31Å; R141-T145 PolarHBondContact O-N 3.36Å; R141-T145 PolarHBondContact O-OG1 3.44Å; K142-T145 PolarHBondContact O-N 3.08Å; V143-T145 VanDerWaalsContact C-N 3.31Å; V143-T145 PolarHBondContact O-N 3.39Å
146K57.8Low64.9Low173 Ų173131.3 Ų131.375%0.75263%0.628SS**Hα-helixtrans-72.8-39.9175.7-163.8179.8-179.3-173.80111.4K142 V143 T144 N148 R149K142-K146 WeakPolarHBondContact O-CB 3.49Å; K142-K146 PolarHBondContact O-N 3.47Å; V143-K146 PolarHBondContact O-N 2.95Å; V143-K146 VanDerWaalsContact O-N 3.14Å; T144-K146 VanDerWaalsContact C-N 3.35Å; K146-N148 VanDerWaalsContact C-N 3.35Å; K146-R149 PolarHBondContact O-N 3.49Å
147I58.6Low63.4Low122 Ų122139.2 Ų139.263%0.62665%0.648SS**Hα-helixtrans-65.2-38.4175.1-65.9167.3000110.7V143 T144 R149 H150V143-I147 HydrophobicContact CG1-CD1 3.69Å; V143-I147 HydrophobicContact CG1-CG1 4.43Å; V143-I147 VanDerWaalsContact O-CG1 3.29Å; V143-I147 WeakPolarHBondContact O-CG1 3.4Å; V143-I147 PolarHBondContact O-N 3.48Å; T144-I147 PolarHBondContact O-N 3.48Å; I147-R149 PolarHBondContact O-N 2.98Å; I147-R149 VanDerWaalsContact O-N 3.17Å; I147-H150 PolarHBondContact O-N 2.89Å
148N55.3Low62Low121 Ų121137 Ų13765%0.64764%0.638SS**THydrogen-bonded Turntrans-74.13.2176.7-106.4-35.8000115.6T144 K146T144-N148 WeakPolarHBondContact O-CB 3.47Å; T144-N148 PolarHBondContact O-N 3.18Å; K146-N148 VanDerWaalsContact C-N 3.35Å
149R55.8Low60.8Low212 Ų212136.6 Ų136.680%0.864%0.639SS**THydrogen-bonded Turntrans-94.8-1.6175.4-82.1-176.9-179.4-176.7-0.4113.9K146 I147K146-R149 PolarHBondContact O-N 3.49Å; I147-R149 PolarHBondContact O-N 2.98Å; I147-R149 VanDerWaalsContact O-N 3.17Å
150H54.7Low60.2Low155 Ų155129.8 Ų129.872%0.71862%0.623SS**  trans-105.910.5-178.3-140-61.8000115.1I147 K152I147-H150 PolarHBondContact O-N 2.89Å; H150-K152 PolarHBondContact O-N 3.14Å
151D54.8Low60Low117 Ų117131.2 Ų131.263%0.62662%0.624SS**  trans-71.7101.6161-75.9-12.1000107.3I153D151-I153 WeakPolarHBondContact O-CG1 3.46Å; D151-I153 PolarHBondContact O-N 2.85Å
152K55.2Low60.1Low184 Ų184129.1 Ų129.180%0.862%0.62SS**  trans-55.996.9161.3-85.3178175.9177.20106.5H150 N154H150-K152 PolarHBondContact O-N 3.14Å; K152-N154 PolarHBondContact O-N 3.35Å
153I58.1Low60.2Low99 Ų99127.4 Ų127.451%0.50862%0.615SS.*  trans-66.389174-65.3165.4000105.4D151 G155 K158D151-I153 WeakPolarHBondContact O-CG1 3.46Å; D151-I153 PolarHBondContact O-N 2.85Å; I153-G155 PolarHBondContact O-N 3.37Å; I153-K158 VanDerWaalsContact CD1-CE 3.45Å; I153-K158 HydrophobicContact CG2-CD 3.4Å; I153-K158 VanDerWaalsContact CG2-CD 3.4Å; I153-K158 HydrophobicContact CG2-CG 3.64Å
154N57.3Low61.1Low128 Ų128130.2 Ų130.268%0.68462%0.62SS**  trans-52.7111.1163.9-90.8-14.2000106.6K152 K156 R157K152-N154 PolarHBondContact O-N 3.35Å; N154-K156 PolarHBondContact O-N 2.93Å; N154-R157 PolarHBondContact O-N 2.75Å
155G53.8Low62.4Low50 Ų50131.6 Ų131.652%0.51562%0.623SS.*Hα-helixtrans-51.1-23.8-170.200000114.1I153 R157 T159I153-G155 PolarHBondContact O-N 3.37Å; G155-R157 PolarHBondContact O-N 2.84Å; G155-T159 PolarHBondContact O-N 2.97Å; G155-T159 PolarHBondContact O-OG1 2.88Å; G155-T159 VanDerWaalsContact O-OG1 3.06Å
156K54.3Low63.5Low186 Ų186134.5 Ų134.581%0.80963%0.629SS**Hα-helixtrans-60.8-37.7177.5-60.9-172.8179.8-176.60114.3N154 T159 A160N154-K156 PolarHBondContact O-N 2.93Å; K156-T159 PolarHBondContact O-N 2.88Å; K156-A160 PolarHBondContact O-N 3.16Å
157R54.4Low65Low215 Ų215132.1 Ų132.181%0.81162%0.621SS**Hα-helixtrans-75.7-30.8-175.8-159.1176.9-172.1176.43.3112.7N154 G155 R161N154-R157 PolarHBondContact O-N 2.75Å; G155-R157 PolarHBondContact O-N 2.84Å; R157-R161 PolarHBondContact O-N 3.27Å; R157-R161 VanDerWaalsContact O-N 3.12Å
158K53.9Low66.5Low113 Ų113135.4 Ų135.449%0.49163%0.626SS.*Hα-helixtrans-69.1-38.3174.4-81.1-172.4177.3168.70111.5I153 R161 K162I153-K158 VanDerWaalsContact CD1-CE 3.45Å; I153-K158 HydrophobicContact CG2-CD 3.4Å; I153-K158 VanDerWaalsContact CG2-CD 3.4Å; I153-K158 HydrophobicContact CG2-CG 3.64Å; K158-R161 PolarHBondContact O-N 3.26Å; K158-K162 WeakPolarHBondContact O-CB 3.22Å; K158-K162 WeakPolarHBondContact O-CG 3.37Å; K158-K162 PolarHBondContact O-N 3.44Å
159T59.4Low68.1Low76 Ų76132.2 Ų132.247%0.46662%0.616SS.*Hα-helixtrans-66.2-45.1177.4-41.70000111.2G155 K156 R161 K162 Q163G155-T159 PolarHBondContact O-N 2.97Å; G155-T159 PolarHBondContact O-OG1 2.88Å; G155-T159 VanDerWaalsContact O-OG1 3.06Å; K156-T159 PolarHBondContact O-N 2.88Å; T159-R161 PolarHBondContact O-N 3.34Å; T159-K162 PolarHBondContact O-N 3.26Å; T159-Q163 WeakPolarHBondContact O-CB 3.4Å; T159-Q163 WeakPolarHBondContact O-CG 3.32Å; T159-Q163 PolarHBondContact O-N 3.48Å
160A68.1Low69.8Low44 Ų44126.3 Ų126.336%0.36460%0.598SS.*Hα-helixtrans-63.1-40.5176.700000112.9K156 K164K156-A160 PolarHBondContact O-N 3.16Å; A160-K164 WeakPolarHBondContact O-CB 3.41Å; A160-K164 WeakPolarHBondContact O-CG 3.37Å; A160-K164 PolarHBondContact O-N 3.29Å
161R73.3Confident71.6Confident186 Ų186123.8 Ų123.870%0.70259%0.586SS**Hα-helixtrans-68.7-39.7176.5-168178.4176.8174.3-0.2111.9R157 K158 T159 K164 M165R157-R161 PolarHBondContact O-N 3.27Å; R157-R161 VanDerWaalsContact O-N 3.12Å; K158-R161 PolarHBondContact O-N 3.26Å; T159-R161 PolarHBondContact O-N 3.34Å; R161-K164 PolarHBondContact O-N 2.94Å; R161-M165 HydrophobicContact CG-CE 4.24Å; R161-M165 WeakPolarHBondContact O-CG 3.24Å; R161-M165 PolarHBondContact O-N 3.21Å
162K74.9Confident73.3Confident149 Ų149123.6 Ų123.665%0.64859%0.585SS**Hα-helixtrans-63.9-44.3174.3-79.5-175.7175-1710111.7K158 T159 K164 M165 F166K158-K162 WeakPolarHBondContact O-CB 3.22Å; K158-K162 WeakPolarHBondContact O-CG 3.37Å; K158-K162 PolarHBondContact O-N 3.44Å; T159-K162 PolarHBondContact O-N 3.26Å; K162-K164 PolarHBondContact O-N 3.41Å; K162-M165 HydrophobicContact CG-CE 4.27Å; K162-M165 PolarHBondContact O-N 2.95Å; K162-F166 WeakPolarHBondContact O-CB 3Å; K162-F166 PolarHBondContact O-N 3.5Å
163Q74.4Confident74.8Confident116 Ų116123.1 Ų123.154%0.54258%0.578SS.*Hα-helixtrans-60.6-44.1175-76.6173.5-18.200111.8T159 M165 F166 Q167T159-Q163 WeakPolarHBondContact O-CB 3.4Å; T159-Q163 WeakPolarHBondContact O-CG 3.32Å; T159-Q163 PolarHBondContact O-N 3.48Å; Q163-M165 VanDerWaalsContact C-N 3.35Å; Q163-M165 PolarHBondContact O-N 3.17Å; Q163-F166 PolarHBondContact O-N 3.26Å; Q163-Q167 WeakPolarHBondContact O-CB 3.3Å; Q163-Q167 WeakPolarHBondContact O-CG 3.29Å; Q163-Q167 PolarHBondContact O-N 3.34Å
164K87.2Confident76.1Confident141 Ų141126.4 Ų126.461%0.61358%0.584SS**Hα-helixtrans-62.2-38.8174.5-75.8-177.7179.4-172.10113A160 R161 K162 R168A160-K164 WeakPolarHBondContact O-CB 3.41Å; A160-K164 WeakPolarHBondContact O-CG 3.37Å; A160-K164 PolarHBondContact O-N 3.29Å; R161-K164 PolarHBondContact O-N 2.94Å; K162-K164 PolarHBondContact O-N 3.41Å; K164-R168 WeakPolarHBondContact O-CB 3.47Å; K164-R168 WeakPolarHBondContact O-CG 3.49Å; K164-R168 PolarHBondContact O-N 3.47Å
165M88.4Confident77.5Confident106 Ų106127.6 Ų127.652%0.52258%0.579SS.*Hα-helixtrans-68.5-38.9175.2-73-175.8-62.200111.7R161 K162 Q163 R168 A169R161-M165 HydrophobicContact CG-CE 4.24Å; R161-M165 WeakPolarHBondContact O-CG 3.24Å; R161-M165 PolarHBondContact O-N 3.21Å; K162-M165 HydrophobicContact CG-CE 4.27Å; K162-M165 PolarHBondContact O-N 2.95Å; Q163-M165 VanDerWaalsContact C-N 3.35Å; Q163-M165 PolarHBondContact O-N 3.17Å; M165-R168 PolarHBondContact O-N 3.42Å; M165-A169 WeakPolarHBondContact O-CB 3.34Å; M165-A169 PolarHBondContact O-N 3.35Å
166F84.3Confident78.9Confident131 Ų131128 Ų12858%0.57558%0.578SS**Hα-helixtrans-65.4-45176.3-173.2-103.5000112K162 Q163 R168 A169 Q170K162-F166 WeakPolarHBondContact O-CB 3Å; K162-F166 PolarHBondContact O-N 3.5Å; Q163-F166 PolarHBondContact O-N 3.26Å; F166-R168 PolarHBondContact O-N 3.22Å; F166-A169 PolarHBondContact O-N 3.08Å; F166-Q170 HydrophobicContact CD1-CG 4.44Å; F166-Q170 VanDerWaalsContact CE1-CD 3.49Å; F166-Q170 HydrophobicContact CE1-CG 4.18Å; F166-Q170 HydrophobicContact CZ-CG 4.4Å; F166-Q170 WeakPolarHBondContact O-CG 3.29Å; F166-Q170 PolarHBondContact O-N 3.5Å
167Q88.4Confident80Confident123 Ų123123.1 Ų123.158%0.57556%0.558SS**Hα-helixtrans-59.4-45173.3-74.9175.7-14.700111.7Q163 A169 Q170 E171Q163-Q167 WeakPolarHBondContact O-CB 3.3Å; Q163-Q167 WeakPolarHBondContact O-CG 3.29Å; Q163-Q167 PolarHBondContact O-N 3.34Å; Q167-A169 VanDerWaalsContact C-N 3.35Å; Q167-A169 PolarHBondContact O-N 3.18Å; Q167-Q170 PolarHBondContact O-N 3.44Å; Q167-E171 PolarHBondContact O-N 2.97Å
168R91.6Very high81.4Confident191 Ų191116.7 Ų116.772%0.72154%0.539SS*.Hα-helixtrans-62.2-39.9175.4-78.6-178.1179.2-168.9-1.6112.9K164 M165 F166 E171 L172K164-R168 WeakPolarHBondContact O-CB 3.47Å; K164-R168 WeakPolarHBondContact O-CG 3.49Å; K164-R168 PolarHBondContact O-N 3.47Å; M165-R168 PolarHBondContact O-N 3.42Å; F166-R168 PolarHBondContact O-N 3.22Å; R168-E171 PolarHBondContact O-N 3.43Å; R168-L172 WeakPolarHBondContact O-CG 3.45Å; R168-L172 PolarHBondContact O-N 3.34Å
169A88.8Confident82.3Confident55 Ų55118 Ų11846%0.45554%0.542SS..Hα-helixtrans-65.5-40.6176.500000111.6M165 F166 Q167 L172 R173M165-A169 WeakPolarHBondContact O-CB 3.34Å; M165-A169 PolarHBondContact O-N 3.35Å; F166-A169 PolarHBondContact O-N 3.08Å; Q167-A169 VanDerWaalsContact C-N 3.35Å; Q167-A169 PolarHBondContact O-N 3.18Å; A169-L172 PolarHBondContact O-N 3.39Å; A169-R173 WeakPolarHBondContact O-CB 3.25Å; A169-R173 PolarHBondContact O-N 3.22Å
170Q90.7Very high82.8Confident88 Ų88120 Ų12041%0.41155%0.546SS..Hα-helixtrans-63.9-39.7173.9-74.6-174.3-29.800112.1F166 Q167 R173 R174F166-Q170 HydrophobicContact CD1-CG 4.44Å; F166-Q170 VanDerWaalsContact CE1-CD 3.49Å; F166-Q170 HydrophobicContact CE1-CG 4.18Å; F166-Q170 HydrophobicContact CZ-CG 4.4Å; F166-Q170 WeakPolarHBondContact O-CG 3.29Å; F166-Q170 PolarHBondContact O-N 3.5Å; Q167-Q170 PolarHBondContact O-N 3.44Å; Q170-R173 WeakPolarHBondContact O-CB 3.47Å; Q170-R173 PolarHBondContact O-N 3.34Å; Q170-R174 WeakPolarHBondContact O-CG 3.38Å; Q170-R174 PolarHBondContact O-N 3.41Å
171E91.9Very high82.7Confident101 Ų101122.5 Ų122.547%0.47255%0.549SS..Hα-helixtrans-69.5-39.8177.9-171162.216400112.6Q167 R168 R173 R174 R175Q167-E171 PolarHBondContact O-N 2.97Å; R168-E171 PolarHBondContact O-N 3.43Å; E171-R173 VanDerWaalsContact C-N 3.29Å; E171-R173 PolarHBondContact O-N 3.43Å; E171-R174 PolarHBondContact O-N 2.86Å; E171-R175 WeakPolarHBondContact O-CG 3.46Å; E171-R175 PolarHBondContact O-N 3.5Å; E171-R175 IonicContact OE1-CZ 3.97Å; E171-R175 IonicContact OE1-NE 3.42Å; E171-R175 IonicContact OE1-NH2 3.15Å; E171-R175 PolarHBondContact OE1-NH2 2.93Å
172L91.3Very high82.5Confident113 Ų113119.1 Ų119.159%0.59255%0.552SS**Hα-helixtrans-60.8-39.7171.7-74.2172.6000111.8R168 A169 R175 A176R168-L172 WeakPolarHBondContact O-CG 3.45Å; R168-L172 PolarHBondContact O-N 3.34Å; A169-L172 PolarHBondContact O-N 3.39Å; L172-R175 PolarHBondContact O-N 2.92Å; L172-A176 WeakPolarHBondContact O-CB 3.3Å; L172-A176 PolarHBondContact O-N 3.24Å
173R85.8Confident82.3Confident174 Ų174118.5 Ų118.566%0.65755%0.55SS*.Hα-helixtrans-61.8-47174.6-177.7179.4172.2164.32.8111.5A169 Q170 E171 R175 A176 E177A169-R173 WeakPolarHBondContact O-CB 3.25Å; A169-R173 PolarHBondContact O-N 3.22Å; Q170-R173 WeakPolarHBondContact O-CB 3.47Å; Q170-R173 PolarHBondContact O-N 3.34Å; E171-R173 VanDerWaalsContact C-N 3.29Å; E171-R173 PolarHBondContact O-N 3.43Å; R173-R175 VanDerWaalsContact C-N 3.35Å; R173-R175 PolarHBondContact O-N 2.96Å; R173-A176 PolarHBondContact O-N 3.21Å; R173-E177 WeakPolarHBondContact CG-OE1 3.4Å; R173-E177 IonicContact CZ-OE1 3.57Å; R173-E177 IonicContact NE-OE1 2.76Å; R173-E177 PolarHBondContact NE-OE1 3.33Å; R173-E177 IonicContact NH2-OE1 3.69Å; R173-E177 WeakPolarHBondContact O-CG 3.42Å; R173-E177 PolarHBondContact O-N 3.4Å
174R86.4Confident81.9Confident169 Ų169114.5 Ų114.564%0.63853%0.531SS*.Hα-helixtrans-59.5-44.6175.9-72.4179.9-178.1178.10.3111.8Q170 E171 A176 E177 D178Q170-R174 WeakPolarHBondContact O-CG 3.38Å; Q170-R174 PolarHBondContact O-N 3.41Å; E171-R174 PolarHBondContact O-N 2.86Å; R174-A176 VanDerWaalsContact C-N 3.33Å; R174-A176 PolarHBondContact O-N 2.93Å; R174-E177 PolarHBondContact O-N 3.46Å; R174-D178 WeakPolarHBondContact O-CB 3.45Å; R174-D178 VanDerWaalsContact O-CG 3.27Å; R174-D178 PolarHBondContact O-N 3.43Å
175R86.1Confident81.1Confident152 Ų152111.1 Ų111.157%0.57452%0.524SS*.Hα-helixtrans-62.4-37.9176-71.7-177.6-168.6174.54.1113E171 L172 R173 D178 Y179E171-R175 WeakPolarHBondContact O-CG 3.46Å; E171-R175 PolarHBondContact O-N 3.5Å; E171-R175 IonicContact OE1-CZ 3.97Å; E171-R175 IonicContact OE1-NE 3.42Å; E171-R175 IonicContact OE1-NH2 3.15Å; E171-R175 PolarHBondContact OE1-NH2 2.93Å; L172-R175 PolarHBondContact O-N 2.92Å; R173-R175 VanDerWaalsContact C-N 3.35Å; R173-R175 PolarHBondContact O-N 2.96Å; R175-D178 PolarHBondContact O-N 2.99Å; R175-Y179 VanDerWaalsContact O-CB 3.28Å; R175-Y179 WeakPolarHBondContact O-CB 3.35Å; R175-Y179 PolarHBondContact O-N 2.99Å
176A82.6Confident80.1Confident60 Ų60111 Ų11150%0.49653%0.531SS..Hα-helixtrans-67.8-41.8175.700000111.8L172 R173 R174 Y179 H180L172-A176 WeakPolarHBondContact O-CB 3.3Å; L172-A176 PolarHBondContact O-N 3.24Å; R173-A176 PolarHBondContact O-N 3.21Å; R174-A176 VanDerWaalsContact C-N 3.33Å; R174-A176 PolarHBondContact O-N 2.93Å; A176-Y179 PolarHBondContact O-N 3.39Å; A176-H180 WeakPolarHBondContact O-CB 3.47Å; A176-H180 PolarHBondContact O-N 3.45Å
177E78.9Confident79.2Confident83 Ų83109 Ų10939%0.38853%0.534SS..Hα-helixtrans-62.7-42.1174.4-72.2172.9-165.700111.2R173 R174 H180 K181R173-E177 WeakPolarHBondContact CG-OE1 3.4Å; R173-E177 IonicContact CZ-OE1 3.57Å; R173-E177 IonicContact NE-OE1 2.76Å; R173-E177 PolarHBondContact NE-OE1 3.33Å; R173-E177 IonicContact NH2-OE1 3.69Å; R173-E177 WeakPolarHBondContact O-CG 3.42Å; R173-E177 PolarHBondContact O-N 3.4Å; R174-E177 PolarHBondContact O-N 3.46Å; E177-H180 PolarHBondContact O-N 3.23Å; E177-K181 VanDerWaalsContact O-CG 3.3Å; E177-K181 WeakPolarHBondContact O-CG 3.28Å; E177-K181 PolarHBondContact O-N 2.96Å
178D82.5Confident78.1Confident79 Ų79104.9 Ų104.942%0.42252%0.52SS..Hα-helixtrans-69.1-39.3177.1-68.4-22.9000112R174 R175 H180 K181 C182R174-D178 WeakPolarHBondContact O-CB 3.45Å; R174-D178 VanDerWaalsContact O-CG 3.27Å; R174-D178 PolarHBondContact O-N 3.43Å; R175-D178 PolarHBondContact O-N 2.99Å; D178-H180 VanDerWaalsContact C-N 3.32Å; D178-H180 PolarHBondContact O-N 2.9Å; D178-K181 WeakPolarHBondContact O-CB 3.48Å; D178-K181 PolarHBondContact O-N 3.01Å; D178-K181 IonicContact OD1-NZ 3.64Å; D178-C182 WeakPolarHBondContact O-CB 3.41Å; D178-C182 PolarHBondContact O-N 3.37Å; D178-C182 PolarHBondContact O-SG 3.05Å
179Y73.3Confident76.9Confident142 Ų142100.2 Ų100.256%0.55750%0.503SS*.Hα-helixtrans-60.1-41.9172-177.1-101.3000112.1R175 A176 C182 K183R175-Y179 VanDerWaalsContact O-CB 3.28Å; R175-Y179 WeakPolarHBondContact O-CB 3.35Å; R175-Y179 PolarHBondContact O-N 2.99Å; A176-Y179 PolarHBondContact O-N 3.39Å; Y179-C182 PolarHBondContact O-N 2.84Å; Y179-K183 HydrophobicContact CD1-CD 4.18Å; Y179-K183 HydrophobicContact CE1-CD 3.52Å; Y179-K183 HydrophobicContact CE1-CG 4.3Å; Y179-K183 HydrophobicContact CE2-CD 4.48Å; Y179-K183 WeakPolarHBondContact O-CB 3.37Å; Y179-K183 PolarHBondContact O-N 3.45Å; Y179-K183 WeakPolarHBondContact OH-CE 3.34Å; Y179-K183 PolarHBondContact OH-NZ 3.03Å
180H69.4Low75.9Confident118 Ų118104.7 Ų104.755%0.54651%0.512SS..Hα-helixtrans-66.6-38.9176.1-169.570000111.9A176 E177 D178 K183 I184A176-H180 WeakPolarHBondContact O-CB 3.47Å; A176-H180 PolarHBondContact O-N 3.45Å; E177-H180 PolarHBondContact O-N 3.23Å; D178-H180 VanDerWaalsContact C-N 3.32Å; D178-H180 PolarHBondContact O-N 2.9Å; H180-K183 PolarHBondContact O-N 3.45Å; H180-I184 WeakPolarHBondContact CE1-CD1 3.35Å; H180-I184 WeakPolarHBondContact NE2-CD1 3.46Å; H180-I184 PolarHBondContact O-N 2.74Å
181K67.3Low74.9Confident96 Ų96103.4 Ų103.442%0.41752%0.516SS..Hα-helixtrans-62-45.3171.9-71.5171.8-169.5165.60111.1E177 D178 K183 I184 R189E177-K181 VanDerWaalsContact O-CG 3.3Å; E177-K181 WeakPolarHBondContact O-CG 3.28Å; E177-K181 PolarHBondContact O-N 2.96Å; D178-K181 WeakPolarHBondContact O-CB 3.48Å; D178-K181 PolarHBondContact O-N 3.01Å; D178-K181 IonicContact OD1-NZ 3.64Å; K181-K183 VanDerWaalsContact C-N 3.32Å; K181-K183 PolarHBondContact O-N 2.77Å; K181-I184 PolarHBondContact O-N 2.91Å; K181-I184 VanDerWaalsContact O-O 3.05Å; K181-R189 VanDerWaalsContact C-NH2 3.29Å; K181-R189 PolarHBondContact O-NH2 2.98Å
182C68.1Low73.7Confident115 Ų115103.2 Ų103.278%0.77752%0.518SS*.Hα-helixtrans-69.6-28.5-179.1-66.80000113.2D178 Y179D178-C182 WeakPolarHBondContact O-CB 3.41Å; D178-C182 PolarHBondContact O-N 3.37Å; D178-C182 PolarHBondContact O-SG 3.05Å; Y179-C182 PolarHBondContact O-N 2.84Å
183K71.1Confident72.5Confident136 Ų136101.6 Ų101.659%0.59152%0.515SS*.Hα-helixtrans-80.3-26.3177.9-87.4-165.7162.6-177.90114.8Y179 H180 K181Y179-K183 HydrophobicContact CD1-CD 4.18Å; Y179-K183 HydrophobicContact CE1-CD 3.52Å; Y179-K183 HydrophobicContact CE1-CG 4.3Å; Y179-K183 HydrophobicContact CE2-CD 4.48Å; Y179-K183 WeakPolarHBondContact O-CB 3.37Å; Y179-K183 PolarHBondContact O-N 3.45Å; Y179-K183 WeakPolarHBondContact OH-CE 3.34Å; Y179-K183 PolarHBondContact OH-NZ 3.03Å; H180-K183 PolarHBondContact O-N 3.45Å; K181-K183 VanDerWaalsContact C-N 3.32Å; K181-K183 PolarHBondContact O-N 2.77Å
184I66Low71.9Confident31 Ų3197.4 Ų97.416%0.15951%0.506CS..SBendtrans-105.8114-178.8-53.9-176.1000109.4H180 K181 A188 R189H180-I184 WeakPolarHBondContact CE1-CD1 3.35Å; H180-I184 WeakPolarHBondContact NE2-CD1 3.46Å; H180-I184 PolarHBondContact O-N 2.74Å; K181-I184 PolarHBondContact O-N 2.91Å; K181-I184 VanDerWaalsContact O-O 3.05Å; I184-A188 HydrophobicContact CG2-CB 3.69Å; I184-R189 HydrophobicContact CB-CG 3.98Å; 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 2.81Å; I184-R189 VanDerWaalsContact O-NE 3.08Å; I184-R189 PolarHBondContact O-NH2 3.04Å
185P70.7Confident71.2Confident71 Ų7198 Ų9846%0.46151%0.508SS..  trans-59.4145.7177.223.5-30.5000109.8S187 A188 R189P185-S187 PolarHBondContact O-N 2.64Å; P185-A188 HydrophobicContact CG-CB 3.78Å; P185-A188 PolarHBondContact O-N 3.27Å; P185-R189 PolarHBondContact O-N 2.84Å
186P66.7Low70.4Confident103 Ų10394.6 Ų94.667%0.66950%0.504SS*.Hα-helixtrans-52-33.9-176.4-28.234.6000114R189 K190P186-R189 PolarHBondContact O-N 2.84Å; P186-K190 PolarHBondContact O-N 3.27Å
187S66Low69.7Low90 Ų90101 Ų10163%0.62952%0.515SS*.Hα-helixtrans-63.1-44.1175.253.10000113.2P185 R189 K190 A191P185-S187 PolarHBondContact O-N 2.64Å; S187-R189 VanDerWaalsContact C-N 3.34Å; S187-R189 PolarHBondContact O-N 2.92Å; S187-K190 PolarHBondContact O-N 2.94Å; S187-A191 PolarHBondContact O-N 3.36Å
188A65.6Low69.1Low36 Ų36102.9 Ų102.930%0.29853%0.526SS..Hα-helixtrans-69.4-30.3178.600000112.2I184 P185 K190 A191 L192I184-A188 HydrophobicContact CG2-CB 3.69Å; P185-A188 HydrophobicContact CG-CB 3.78Å; P185-A188 PolarHBondContact O-N 3.27Å; A188-K190 VanDerWaalsContact C-N 3.34Å; A188-K190 PolarHBondContact O-N 3.47Å; A188-A191 PolarHBondContact O-N 2.91Å; A188-L192 WeakPolarHBondContact O-CB 3.44Å; A188-L192 PolarHBondContact O-N 3.47Å
189R66.1Low68.1Low92 Ų92100.7 Ų100.735%0.34752%0.519SS..Hα-helixtrans-64.3-38.9172.8-60.1-171.3-147.9158.811.6111.9K181 I184 P185 P186 S187 L192 C193K181-R189 VanDerWaalsContact C-NH2 3.29Å; K181-R189 PolarHBondContact O-NH2 2.98Å; I184-R189 HydrophobicContact CB-CG 3.98Å; 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 2.81Å; I184-R189 VanDerWaalsContact O-NE 3.08Å; I184-R189 PolarHBondContact O-NH2 3.04Å; P185-R189 PolarHBondContact O-N 2.84Å; P186-R189 PolarHBondContact O-N 2.84Å; S187-R189 VanDerWaalsContact C-N 3.34Å; S187-R189 PolarHBondContact O-N 2.92Å; R189-L192 PolarHBondContact O-N 3.4Å; R189-C193 WeakPolarHBondContact O-CB 3.5Å; R189-C193 PolarHBondContact O-N 3.03Å; R189-C193 PolarHBondContact O-SG 3.2Å; R189-C193 VanDerWaalsContact O-SG 3.39Å
190K68.1Low67.5Low150 Ų15096.1 Ų96.165%0.65251%0.51SS*.Hα-helixtrans-66-41.9177.7-162.8175.8-176.4-178.10111.2P186 S187 A188 N194P186-K190 PolarHBondContact O-N 3.27Å; S187-K190 PolarHBondContact O-N 2.94Å; A188-K190 VanDerWaalsContact C-N 3.34Å; A188-K190 PolarHBondContact O-N 3.47Å; K190-N194 WeakPolarHBondContact O-CB 3.45Å; K190-N194 VanDerWaalsContact O-CG 3.24Å; K190-N194 PolarHBondContact O-N 2.76Å
191A69Low67Low61 Ų6192.3 Ų92.350%0.50450%0.499SS..Hα-helixtrans-63-43.3173.800000112.1S187 A188 N194 W195S187-A191 PolarHBondContact O-N 3.36Å; A188-A191 PolarHBondContact O-N 2.91Å; A191-N194 PolarHBondContact O-N 3.27Å; A191-W195 WeakPolarHBondContact O-CB 3.48Å; A191-W195 PolarHBondContact O-N 2.92Å
192L67.3Low66.5Low96 Ų9694.5 Ų94.550%0.50351%0.511SS..Hα-helixtrans-67.3-42.6179-133.7132.4000112.2A188 R189 W195 V196A188-L192 WeakPolarHBondContact O-CB 3.44Å; A188-L192 PolarHBondContact O-N 3.47Å; R189-L192 PolarHBondContact O-N 3.4Å; L192-W195 PolarHBondContact O-N 2.87Å; L192-V196 WeakPolarHBondContact O-CB 3.42Å; L192-V196 VanDerWaalsContact O-CG2 3.29Å; L192-V196 WeakPolarHBondContact O-CG2 3.36Å; L192-V196 PolarHBondContact O-N 3.43Å
193C66.5Low65.7Low79 Ų7996.3 Ų96.353%0.53451%0.507SS..Hα-helixtrans-64.1-39.1173.9-75.50000112.2R189 R197R189-C193 WeakPolarHBondContact O-CB 3.5Å; R189-C193 PolarHBondContact O-N 3.03Å; R189-C193 PolarHBondContact O-SG 3.2Å; R189-C193 VanDerWaalsContact O-SG 3.39Å; C193-R197 WeakPolarHBondContact O-CB 3.45Å; C193-R197 WeakPolarHBondContact O-CG 3.48Å; C193-R197 PolarHBondContact O-N 3.22Å
194N72.6Confident64.6Low87 Ų8798.8 Ų98.847%0.46551%0.513SS..Hα-helixtrans-66.6-42174.9-77.2-6.5000111.3K190 A191 R197 M198K190-N194 WeakPolarHBondContact O-CB 3.45Å; K190-N194 VanDerWaalsContact O-CG 3.24Å; K190-N194 PolarHBondContact O-N 2.76Å; A191-N194 PolarHBondContact O-N 3.27Å; N194-R197 PolarHBondContact O-N 2.99Å; N194-M198 WeakPolarHBondContact O-CB 3.45Å; N194-M198 VanDerWaalsContact O-CG 3.3Å; N194-M198 WeakPolarHBondContact O-CG 3.43Å; N194-M198 PolarHBondContact O-N 3.5Å
195W70.8Confident63.9Low181 Ų181105.1 Ų105.169%0.68654%0.542SS*.Hα-helixtrans-63.9-43.2176-176.170.8000112.1A191 L192 R197 M198 A199A191-W195 WeakPolarHBondContact O-CB 3.48Å; A191-W195 PolarHBondContact O-N 2.92Å; L192-W195 PolarHBondContact O-N 2.87Å; W195-R197 VanDerWaalsContact C-N 3.33Å; W195-R197 PolarHBondContact O-N 3.23Å; W195-M198 PolarHBondContact O-N 2.86Å; W195-A199 VanDerWaalsContact O-CB 3.31Å; W195-A199 WeakPolarHBondContact O-CB 3.4Å; W195-A199 PolarHBondContact O-N 3.3Å
196V70.9Confident63Low80 Ų80107 Ų10749%0.48556%0.556SS.*Hα-helixtrans-63-38.1174171.10000111.5L192 A200L192-V196 WeakPolarHBondContact O-CB 3.42Å; L192-V196 VanDerWaalsContact O-CG2 3.29Å; L192-V196 WeakPolarHBondContact O-CG2 3.36Å; L192-V196 PolarHBondContact O-N 3.43Å; V196-A200 WeakPolarHBondContact O-CB 3.49Å; V196-A200 PolarHBondContact O-N 2.94Å
197R67.9Low62.4Low194 Ų194105 Ų10573%0.73255%0.545SS*.Hα-helixtrans-67.2-41174.3-76.6179.687.1157.55.2112.3C193 N194 W195 A200 A201C193-R197 WeakPolarHBondContact O-CB 3.45Å; C193-R197 WeakPolarHBondContact O-CG 3.48Å; C193-R197 PolarHBondContact O-N 3.22Å; N194-R197 PolarHBondContact O-N 2.99Å; W195-R197 VanDerWaalsContact C-N 3.33Å; W195-R197 PolarHBondContact O-N 3.23Å; R197-A200 PolarHBondContact O-N 3.22Å; R197-A201 WeakPolarHBondContact O-CB 3.3Å; R197-A201 PolarHBondContact O-N 3.49Å
198M65.4Low61.7Low124 Ų124104.2 Ų104.261%0.61155%0.551SS**Hα-helixtrans-66.2-47.4176.6-73.5-59.9-61.700111.1N194 W195 A200 A201 E202N194-M198 WeakPolarHBondContact O-CB 3.45Å; N194-M198 VanDerWaalsContact O-CG 3.3Å; N194-M198 WeakPolarHBondContact O-CG 3.43Å; N194-M198 PolarHBondContact O-N 3.5Å; W195-M198 PolarHBondContact O-N 2.86Å; M198-A200 VanDerWaalsContact C-N 3.3Å; M198-A200 PolarHBondContact O-N 3.45Å; M198-A201 CarbonylContact O-C 3.59Å; M198-A201 WeakPolarHBondContact O-CB 3.5Å; M198-A201 PolarHBondContact O-N 2.97Å; M198-A201 VanDerWaalsContact O-N 3.07Å; M198-E202 VanDerWaalsContact O-CB 3.31Å; M198-E202 WeakPolarHBondContact O-CB 3.37Å; M198-E202 PolarHBondContact O-N 2.84Å
199A61.8Low60.9Low33 Ų33108.9 Ų108.927%0.27357%0.571SS.*Hα-helixtrans-61-38.7176.200000111.8W195 E202 H203W195-A199 VanDerWaalsContact O-CB 3.31Å; W195-A199 WeakPolarHBondContact O-CB 3.4Å; W195-A199 PolarHBondContact O-N 3.3Å; A199-E202 PolarHBondContact O-N 3.06Å; A199-H203 WeakPolarHBondContact O-CB 3.35Å; A199-H203 PolarHBondContact O-N 3.46Å
200A59.4Low59.8Low46 Ų46109.6 Ų109.638%0.3859%0.587SS.*Hα-helixtrans-69.9-31.8174.300000113.2V196 R197 M198 R204V196-A200 WeakPolarHBondContact O-CB 3.49Å; V196-A200 PolarHBondContact O-N 2.94Å; R197-A200 PolarHBondContact O-N 3.22Å; M198-A200 VanDerWaalsContact C-N 3.3Å; M198-A200 PolarHBondContact O-N 3.45Å; A200-R204 WeakPolarHBondContact O-CB 3.33Å; A200-R204 WeakPolarHBondContact O-CD 3.31Å; A200-R204 VanDerWaalsContact O-CG 3.23Å; A200-R204 WeakPolarHBondContact O-CG 3.4Å; A200-R204 PolarHBondContact O-N 3.44Å
201A59.7Low58.7Low37 Ų37111.9 Ų111.931%0.30659%0.593SS.*Hα-helixtrans-70.6-43.6172.400000111R197 M198 R204 H205R197-A201 WeakPolarHBondContact O-CB 3.3Å; R197-A201 PolarHBondContact O-N 3.49Å; M198-A201 CarbonylContact O-C 3.59Å; M198-A201 WeakPolarHBondContact O-CB 3.5Å; M198-A201 PolarHBondContact O-N 2.97Å; M198-A201 VanDerWaalsContact O-N 3.07Å; A201-R204 WeakPolarHBondContact O-CB 3.42Å; A201-R204 PolarHBondContact O-N 3.12Å; A201-R204 VanDerWaalsContact O-N 3.08Å; A201-H205 PolarHBondContact O-CD2 2.85Å; A201-H205 PolarHBondContact O-N 3.44Å
202E56.3Low57.5Low142 Ų142119.8 Ų119.866%0.66461%0.61SS**Hα-helixtrans-65.8-42.5179.8-165.3168.5-167.200111.9M198 A199 R204 H205 S206M198-E202 VanDerWaalsContact O-CB 3.31Å; M198-E202 WeakPolarHBondContact O-CB 3.37Å; M198-E202 PolarHBondContact O-N 2.84Å; A199-E202 PolarHBondContact O-N 3.06Å; E202-R204 PolarHBondContact O-N 3.47Å; E202-H205 PolarHBondContact O-N 3.05Å; E202-S206 PolarHBondContact O-N 2.95Å
203H51Low56.6Low153 Ų153118.2 Ų118.271%0.70861%0.606SS**Hα-helixtrans-62-26171.7-119-73.4000113.3A199A199-H203 WeakPolarHBondContact O-CB 3.35Å; A199-H203 PolarHBondContact O-N 3.46Å
204R49.2Very low55.5Low189 Ų189125 Ų12571%0.71362%0.622SS**Hα-helixtrans-88.6-25.3-179.3-78.8178.7176.3175-0.6113.9A200 A201 E202 S206 S207A200-R204 WeakPolarHBondContact O-CB 3.33Å; A200-R204 WeakPolarHBondContact O-CD 3.31Å; A200-R204 VanDerWaalsContact O-CG 3.23Å; A200-R204 WeakPolarHBondContact O-CG 3.4Å; A200-R204 PolarHBondContact O-N 3.44Å; A201-R204 WeakPolarHBondContact O-CB 3.42Å; A201-R204 PolarHBondContact O-N 3.12Å; A201-R204 VanDerWaalsContact O-N 3.08Å; E202-R204 PolarHBondContact O-N 3.47Å; R204-S206 VanDerWaalsContact C-N 3.32Å; R204-S207 WeakPolarHBondContact CA-OG 3.36Å; R204-S207 PolarHBondContact O-N 2.77Å; R204-S207 PolarHBondContact O-OG 3.27Å
205H50.2Low54.3Low163 Ų163125.1 Ų125.176%0.75562%0.621SS**Hα-helixtrans-72-29170.4-72.4-61.8000112A201 E202 S207A201-H205 PolarHBondContact O-CD2 2.85Å; A201-H205 PolarHBondContact O-N 3.44Å; E202-H205 PolarHBondContact O-N 3.05Å; H205-S207 VanDerWaalsContact C-N 3.35Å
206S53.1Low53.6Low110 Ų110120.7 Ų120.777%0.76962%0.615SS**THydrogen-bonded Turntrans-78-16.7174.5-157.40000113.6E202 R204E202-S206 PolarHBondContact O-N 2.95Å; R204-S206 VanDerWaalsContact C-N 3.32Å
207S54Low52.6Low61 Ų61120.8 Ų120.843%0.42762%0.624SS.*THydrogen-bonded Turntrans-91-0.3-176.867.30000115.2R204 H205 L209R204-S207 WeakPolarHBondContact CA-OG 3.36Å; R204-S207 PolarHBondContact O-N 2.77Å; R204-S207 PolarHBondContact O-OG 3.27Å; H205-S207 VanDerWaalsContact C-N 3.35Å; S207-L209 PolarHBondContact O-N 3.16Å
208G50.5Low51.9Low74 Ų74117.7 Ų117.776%0.76362%0.618SS**THydrogen-bonded Turntrans60.616.7172.600000116.5
209L49.3Very low51.2Low135 Ų135114.4 Ų114.471%0.70761%0.605SS**  trans-88.7133.3-177.1-80.9165.1000111.2S207 Y211S207-L209 PolarHBondContact O-N 3.16Å; L209-Y211 PolarHBondContact O-N 3.12Å
210P43.7Very low50.8Low107 Ų107117.1 Ų117.170%0.69561%0.614SS**  trans-64.1134.8-178.823.5-30.8000111.7W212P210-W212 PolarHBondContact O-N 3.33Å
211Y43.5Very low50.6Low197 Ų197121.9 Ų121.977%0.77363%0.626SS**  trans-64.4108.9179.3175-106.7000111L209 P213L209-Y211 PolarHBondContact O-N 3.12Å; Y211-P213 HydrophobicContact CD1-CB 4.41Å; Y211-P213 HydrophobicContact CD1-CG 4.1Å; Y211-P213 HydrophobicContact CE1-CB 3.55Å; Y211-P213 HydrophobicContact CE1-CG 3.55Å; Y211-P213 HydrophobicContact CE2-CB 4.47Å; Y211-P213 WeakPolarHBondContact O-CD 3.22Å
212W43.8Very low50.5Low228 Ų228125.4 Ų125.486%0.86464%0.64SS**  trans-95.8105.4157.7-88.289.6000108.1P210 Y214P210-W212 PolarHBondContact O-N 3.33Å; W212-Y214 PolarHBondContact O-N 3.26Å; W212-Y214 VanDerWaalsContact O-N 3.16Å
213P48.7Very low50.4Low63 Ų63128 Ų12841%0.40964%0.644SS.*  trans-59.3125.7171.415.8-17.2000107.5Y211 L215Y211-P213 HydrophobicContact CD1-CB 4.41Å; Y211-P213 HydrophobicContact CD1-CG 4.1Å; Y211-P213 HydrophobicContact CE1-CB 3.55Å; Y211-P213 HydrophobicContact CE1-CG 3.55Å; Y211-P213 HydrophobicContact CE2-CB 4.47Å; Y211-P213 WeakPolarHBondContact O-CD 3.22Å; P213-L215 PolarHBondContact O-N 2.97Å
214Y44.6Very low50.5Low222 Ų222127.6 Ų127.687%0.87164%0.644SS**  trans-43.8114.6160.4-130.8-98.3000106.7W212 T216W212-Y214 PolarHBondContact O-N 3.26Å; W212-Y214 VanDerWaalsContact O-N 3.16Å; Y214-T216 PolarHBondContact O-N 3.5Å
215L47.3Very low50.5Low88 Ų88121.5 Ų121.546%0.46164%0.639SS.*  trans-52108171.6-81.9156.1000106.4P213 T219P213-L215 PolarHBondContact O-N 2.97Å; L215-T219 HydrophobicContact CD2-CG2 3.78Å
216T54.8Low50.6Low89 Ų89121.5 Ų121.555%0.54664%0.639SS.*  trans-53.8143.2173.9-21.10000107Y214 E218 T219 L220Y214-T216 PolarHBondContact O-N 3.5Å; T216-E218 PolarHBondContact O-N 3.49Å; T216-T219 PolarHBondContact O-N 3.45Å; T216-T219 PolarHBondContact O-OG1 3.05Å; T216-L220 PolarHBondContact O-N 3.32Å
217A51.1Low50.7Low82 Ų82125 Ų12568%0.67864%0.644SS**Hα-helixtrans-52.9-27.8178.900000112.2L220 K221A217-L220 PolarHBondContact O-N 3.02Å; A217-K221 WeakPolarHBondContact O-CB 3.38Å; A217-K221 PolarHBondContact O-N 3.34Å
218E51.6Low50.9Low128 Ų128127.4 Ų127.460%0.59866%0.658SS**Hα-helixtrans-52.3-47.6167.8-126.984.5-141.800113.7T216 L220 K221 N222T216-E218 PolarHBondContact O-N 3.49Å; E218-L220 PolarHBondContact O-N 3.38Å; E218-K221 PolarHBondContact O-N 3.45Å; E218-N222 PolarHBondContact O-N 3.44Å; E218-N222 PolarHBondContact O-ND2 3.15Å
219T51.3Low51.3Low55 Ų55129.5 Ų129.534%0.33766%0.658SS.*Hα-helixtrans-72.7-31-175.1-23.30000111.9L215 T216 R223L215-T219 HydrophobicContact CD2-CG2 3.78Å; T216-T219 PolarHBondContact O-N 3.45Å; T216-T219 PolarHBondContact O-OG1 3.05Å; T219-R223 PolarHBondContact O-N 2.8Å
220L53.8Low51.7Low91 Ų91128.1 Ų128.148%0.47666%0.657SS.*Hα-helixtrans-73.6-37.2173.5-117.4155.5000111.5T216 A217 E218 R223 M224T216-L220 PolarHBondContact O-N 3.32Å; A217-L220 PolarHBondContact O-N 3.02Å; E218-L220 PolarHBondContact O-N 3.38Å; L220-R223 PolarHBondContact O-N 3.34Å; L220-M224 HydrophobicContact CB-CE 4.41Å; L220-M224 HydrophobicContact CD2-CE 3.82Å; L220-M224 WeakPolarHBondContact O-CE 3.3Å; L220-M224 PolarHBondContact O-N 3.24Å
221K54.9Low52Low146 Ų146128.8 Ų128.864%0.63566%0.661SS**Hα-helixtrans-65.4-41175.4-171.6-177.8170.4-171.70112.2A217 E218 R223 M224 G225A217-K221 WeakPolarHBondContact O-CB 3.38Å; A217-K221 PolarHBondContact O-N 3.34Å; E218-K221 PolarHBondContact O-N 3.45Å; K221-R223 VanDerWaalsContact C-N 3.29Å; K221-R223 PolarHBondContact O-N 3.36Å; K221-M224 PolarHBondContact O-N 3.27Å; K221-G225 PolarHBondContact O-N 3.39Å
222N57.1Low52.3Low110 Ų110127.6 Ų127.659%0.58867%0.667SS**Hα-helixtrans-68.4-26.1178-68.3-16.1000113.2E218E218-N222 PolarHBondContact O-N 3.44Å; E218-N222 PolarHBondContact O-ND2 3.15Å
223R55.3Low52.8Low197 Ų197128 Ų12874%0.74369%0.686SS**Hα-helixtrans-80.4-25.2173.9-75.9-172.8177.7-169.60114.1T219 L220 K221T219-R223 PolarHBondContact O-N 2.8Å; L220-R223 PolarHBondContact O-N 3.34Å; K221-R223 VanDerWaalsContact C-N 3.29Å; K221-R223 PolarHBondContact O-N 3.36Å
224M52.3Low53Low145 Ų145131.2 Ų131.271%0.71470%0.7SS**Hα-helixtrans-83.1-11.2176.1-78.2-176.8-82.800113.6L220 K221L220-M224 HydrophobicContact CB-CE 4.41Å; L220-M224 HydrophobicContact CD2-CE 3.82Å; L220-M224 WeakPolarHBondContact O-CE 3.3Å; L220-M224 PolarHBondContact O-N 3.24Å; K221-M224 PolarHBondContact O-N 3.27Å
225G49.5Very low53.5Low60 Ų60126.4 Ų126.462%0.61969%0.691SS**THydrogen-bonded Turntrans-92.92.8-177.800000115.9K221K221-G225 PolarHBondContact O-N 3.39Å
226H52.2Low53.8Low163 Ų163128.6 Ų128.676%0.75570%0.704SS**  trans-102.5108.9175.9-75.5-3.1000110.1
227Q55.8Low53.8Low184 Ų184130.9 Ų130.986%0.8671%0.713SS**PPolyproline II helixtrans-66.1138.6161.8-79.5-167.8-400108.9
228P57Low53.9Low111 Ų111133.9 Ų133.972%0.72172%0.716SS**PPolyproline II helixtrans-63.6145.2169.626.7-31.3000109.8
229P59.5Low54.1Low118 Ų118134.3 Ų134.377%0.76672%0.723SS**PPolyproline II helixtrans-61.7146.8179.125.8-32.7000110.5
230P57.3Low54.3Low107 Ų107140 Ų14070%0.69575%0.751SS**PPolyproline II helixtrans-62.8145.3179.626.1-32.7000110.5L232P230-L232 PolarHBondContact O-N 3.35Å
231P50Low54.3Low120 Ų120143.8 Ų143.878%0.77977%0.772SS**PPolyproline II helixtrans-61.5130.1178.325-31.5000109.7
232L50.7Low54.3Low172 Ų172143.6 Ų143.690%0.90178%0.784SS**PPolyproline II helixtrans-66.4132.7166.6-91.181.4000108.4P230P230-L232 PolarHBondContact O-N 3.35Å
233N54.9Low54Low236 Ų236146.6 Ų146.6100%1.26280%0.801SS**  trans-59.40173.2-69.6-27000112.3

Retrieved 233 of 233 residues in 175.1 ms (Link to these results)