A0A067ZWP4_HUMAN Loading...

Nuclear pore complex-interacting protein

AlphaFold DB , UniProt , Accession A0A067ZWP4, Species HUMAN (Homo sapiens, Human), Gene NPIP, Length 236 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
1L33.1Very low35.8Very low230 Ų230167.1 Ų167.1100%1.20488%0.876SS**  0119.20-94.6138.9000107.7
2F33.2Very low35.6Very low196 Ų196158.8 Ų158.886%0.8686%0.861SS**  trans-20.7136176.9-87-104.7000118.8
3C31.9Very low36.2Very low118 Ų118153.2 Ų153.280%0.79786%0.863SS**  -167100.5110.8-1080000111.7
4C42.7Very low36.1Very low120 Ų120149.9 Ų149.981%0.81185%0.853SS**  trans-74.6129.9145.9-580000107.1
5L38Very low36.8Very low170 Ų170153.3 Ų153.389%0.8985%0.854SS**  trans178.5127.7159.4-93.5170.9000105
6G33.3Very low37.2Very low66 Ų66149.1 Ų149.168%0.6883%0.834SS**  cis-167.9149.13.900000108E8G6-E8 PolarHBondContact O-N 3.47Å
7Y33.9Very low37.4Very low223 Ų223153.8 Ų153.888%0.87584%0.836SS**  trans-70.9117.4161.8-96-101.8000107.8
8E37.2Very low37.7Very low192 Ų192153.4 Ų153.490%0.89783%0.827SS**  trans-125106.8158.5-84.7-170.8151.200108.9G6G6-E8 PolarHBondContact O-N 3.47Å
9W41.6Very low38.2Very low230 Ų230148.8 Ų148.887%0.87181%0.808SS**  trans-76.9125.9153.3-88.574.5000107.3
10L34.8Very low38.6Very low170 Ų170144.1 Ų144.189%0.8979%0.79SS**  trans-175.2141.5142.7-102.5160.8000111.8
11S34.2Very low38.6Very low123 Ų123146 Ų14686%0.8679%0.785SS**  trans75.2118.2166.5-138.80000114.5
12G33.5Very low39.3Very low67 Ų67139.3 Ų139.369%0.69175%0.754SS**  cis129125.648.700000104.7C14G12-C14 PolarHBondContact O-N 3.08Å
13G43.1Very low40.1Very low87 Ų87135.5 Ų135.590%0.89774%0.742SS**  trans-57.7132.1-15800000115.9
14C35.2Very low40.7Very low107 Ų107135.2 Ų135.272%0.72373%0.732SS**  trans-140.5107.5142.2-160.80000107.9G12 T16G12-C14 PolarHBondContact O-N 3.08Å; C14-T16 VanDerWaalsContact C-N 3.27Å; C14-T16 PolarHBondContact O-N 3.05Å
15K47.1Very low40.8Very low200 Ų200131.9 Ų131.987%0.8771%0.708SS**  trans-67.686.4172-78.2172.7174.9169.20108.2W17K15-W17 PolarHBondContact O-N 3.22Å
16T42Very low40.9Very low86 Ų86129.2 Ų129.253%0.52869%0.694SS.*  trans-83.1108.916853.30000108.3C14 H18 S19C14-T16 VanDerWaalsContact C-N 3.27Å; C14-T16 PolarHBondContact O-N 3.05Å; T16-H18 PolarHBondContact O-N 3.46Å; T16-S19 PolarHBondContact O-N 3.42Å; T16-S19 PolarHBondContact O-OG 3.27Å
17W41.6Very low41.5Very low229 Ų229128.8 Ų128.887%0.86768%0.684SS**THydrogen-bonded Turntrans-50.9-7.1174.9-7678.2000115.3K15K15-W17 PolarHBondContact O-N 3.22Å
18H42.9Very low41.9Very low147 Ų147123.7 Ų123.768%0.68167%0.672SS**Hα-helixtrans-75.4-29.9178.5-112.5-83.5000114.7T16 V22T16-H18 PolarHBondContact O-N 3.46Å; H18-V22 PolarHBondContact O-N 2.99Å
19S46.2Very low42.2Very low67 Ų67121.1 Ų121.147%0.46966%0.66SS.*Hα-helixtrans-79.3-27.5-178.349.90000113.1T16 W21 I23T16-S19 PolarHBondContact O-N 3.42Å; T16-S19 PolarHBondContact O-OG 3.27Å; S19-W21 VanDerWaalsContact C-N 3.34Å; S19-I23 WeakPolarHBondContact O-CB 3.22Å; S19-I23 WeakPolarHBondContact O-CD1 3.43Å; S19-I23 VanDerWaalsContact O-CG1 3.22Å; S19-I23 WeakPolarHBondContact O-CG1 3.34Å; S19-I23 PolarHBondContact O-N 3.43Å
20A46.7Very low42.3Very low53 Ų53117.9 Ų117.944%0.43865%0.654SS.*Hα-helixtrans-69.1-33.817200000112N24A20-N24 VanDerWaalsContact O-CB 3.31Å; A20-N24 WeakPolarHBondContact O-CB 3.39Å; A20-N24 PolarHBondContact O-N 3.04Å
21W38.4Very low42.7Very low184 Ų184118 Ų11870%0.69765%0.65SS**Hα-helixtrans-68.4-44.1176-155.967.3000110.9S19 I23 N24 T25S19-W21 VanDerWaalsContact C-N 3.34Å; W21-I23 PolarHBondContact O-N 3.33Å; W21-N24 PolarHBondContact O-N 3.06Å; W21-T25 WeakPolarHBondContact O-CB 3.44Å; W21-T25 PolarHBondContact O-N 3.33Å; W21-T25 PolarHBondContact O-OG1 3.47Å
22V48.4Very low43.3Very low91 Ų91123.4 Ų123.455%0.55265%0.651SS**Hα-helixtrans-66.4-38.2177.8176.90000112.1H18 T25 L26H18-V22 PolarHBondContact O-N 2.99Å; V22-T25 PolarHBondContact O-N 3.39Å; V22-L26 VanDerWaalsContact O-CB 3.3Å; V22-L26 WeakPolarHBondContact O-CB 3.28Å; V22-L26 PolarHBondContact O-N 3.29Å
23I49.7Very low43.8Very low115 Ų115123.3 Ų123.359%0.5965%0.651SS**Hα-helixtrans-71-39.6176.9-64.3166.2000111.4S19 W21 L26 A27S19-I23 WeakPolarHBondContact O-CB 3.22Å; S19-I23 WeakPolarHBondContact O-CD1 3.43Å; S19-I23 VanDerWaalsContact O-CG1 3.22Å; S19-I23 WeakPolarHBondContact O-CG1 3.34Å; S19-I23 PolarHBondContact O-N 3.43Å; W21-I23 PolarHBondContact O-N 3.33Å; I23-L26 PolarHBondContact O-N 3.43Å; I23-A27 VanDerWaalsContact O-CB 3.3Å; I23-A27 WeakPolarHBondContact O-CB 3.11Å; I23-A27 PolarHBondContact O-N 2.89Å
24N44.4Very low43.9Very low113 Ų113125.6 Ų125.660%0.60465%0.647SS**Hα-helixtrans-70.6-33.8174.4-84.7-22.6000112.5A20 W21 L26 A27 D28A20-N24 VanDerWaalsContact O-CB 3.31Å; A20-N24 WeakPolarHBondContact O-CB 3.39Å; A20-N24 PolarHBondContact O-N 3.04Å; W21-N24 PolarHBondContact O-N 3.06Å; N24-L26 VanDerWaalsContact C-N 3.33Å; N24-A27 PolarHBondContact O-N 3.03Å; N24-D28 WeakPolarHBondContact O-CB 3.27Å; N24-D28 PolarHBondContact O-N 3.41Å
25T44Very low44.5Very low49 Ų49127.7 Ų127.730%0.30165%0.651SS.*Hα-helixtrans-70.2-34.1175.4-410000110.8W21 V22 H29W21-T25 WeakPolarHBondContact O-CB 3.44Å; W21-T25 PolarHBondContact O-N 3.33Å; W21-T25 PolarHBondContact O-OG1 3.47Å; V22-T25 PolarHBondContact O-N 3.39Å; T25-H29 WeakPolarHBondContact O-CB 3.34Å; T25-H29 VanDerWaalsContact O-CG 3.29Å; T25-H29 PolarHBondContact O-N 3Å; T25-H29 VanDerWaalsContact O-N 3.09Å; T25-H29 PolarHBondContact O-ND1 3.35Å
26L41.5Very low44.4Very low115 Ų115128.4 Ų128.460%0.60266%0.655SS**Hα-helixtrans-72.6-36.8173.7-167.370.1000112.4V22 I23 N24 H30V22-L26 VanDerWaalsContact O-CB 3.3Å; V22-L26 WeakPolarHBondContact O-CB 3.28Å; V22-L26 PolarHBondContact O-N 3.29Å; I23-L26 PolarHBondContact O-N 3.43Å; N24-L26 VanDerWaalsContact C-N 3.33Å; L26-H30 PolarHBondContact O-CD2 3.45Å; L26-H30 PolarHBondContact O-N 3.05Å
27A44.7Very low44.6Very low57 Ų57126.9 Ų126.947%0.47166%0.656SS.*Hα-helixtrans-70.8-35174.500000112.4I23 N24 H29 H30I23-A27 VanDerWaalsContact O-CB 3.3Å; I23-A27 WeakPolarHBondContact O-CB 3.11Å; I23-A27 PolarHBondContact O-N 2.89Å; N24-A27 PolarHBondContact O-N 3.03Å; A27-H29 VanDerWaalsContact C-N 3.34Å; A27-H30 PolarHBondContact O-N 2.95Å
28D42.5Very low44.6Very low116 Ų116118.5 Ų118.562%0.6264%0.641SS**Hα-helixtrans-75.2-25.4177.8-158.456.1000112N24 H31N24-D28 WeakPolarHBondContact O-CB 3.27Å; N24-D28 PolarHBondContact O-N 3.41Å; D28-H31 PolarHBondContact O-N 3.45Å
29H42.9Very low45.3Very low137 Ų137115.7 Ų115.763%0.63464%0.638SS**Hα-helixtrans-80.8-11.8173.3-76.927.7000114.3T25 A27 H31T25-H29 WeakPolarHBondContact O-CB 3.34Å; T25-H29 VanDerWaalsContact O-CG 3.29Å; T25-H29 PolarHBondContact O-N 3Å; T25-H29 VanDerWaalsContact O-N 3.09Å; T25-H29 PolarHBondContact O-ND1 3.35Å; A27-H29 VanDerWaalsContact C-N 3.34Å; H29-H31 VanDerWaalsContact C-N 3.25Å; H29-H31 PolarHBondContact O-N 3.48Å
30H43.8Very low45.8Very low162 Ų162117 Ų11775%0.7565%0.645SS**THydrogen-bonded Turntrans-82.3-1.1170.6-94.1-72.9000113.7L26 A27L26-H30 PolarHBondContact O-CD2 3.45Å; L26-H30 PolarHBondContact O-N 3.05Å; A27-H30 PolarHBondContact O-N 2.95Å
31H43.6Very low46Very low172 Ų172123.3 Ų123.380%0.79666%0.657SS**THydrogen-bonded Turntrans-111.37.9-176.9-113.9-56000115.9D28 H29D28-H31 PolarHBondContact O-N 3.45Å; H29-H31 VanDerWaalsContact C-N 3.25Å; H29-H31 PolarHBondContact O-N 3.48Å
32R48.1Very low47Very low237 Ų237119.5 Ų119.589%0.89465%0.65SS**SBendtrans-131.394.2176.4-96.8179.3159.9177.1-4.5111.4
33G43Very low47.6Very low66 Ų66122 Ų12268%0.6866%0.656SS**  trans147.852.7165.900000116.4
34T45Very low48.1Very low134 Ų134120.3 Ų120.382%0.82265%0.651SS**  trans-132.444.2151.846.70000111F36T34-F36 PolarHBondContact O-N 3.39Å
35D48.2Very low48.9Very low151 Ų151119.3 Ų119.381%0.80764%0.644SS**  trans-76.559.7161.8-69.2-42.9000110.3
36F44.8Very low49.8Very low215 Ų215122.5 Ų122.594%0.94366%0.658SS**SBendtrans-163.498158.3-91.5-70000108.8T34T34-F36 PolarHBondContact O-N 3.39Å
37G46.8Very low50.5Low54 Ų54119.3 Ų119.356%0.55765%0.649SS**  trans108.246.1167.700000115.5
38G41.5Very low51.1Low54 Ų54123.9 Ų123.956%0.55766%0.658SS**  trans-48.2156.3167.100000112.6P40 W41G38-P40 VanDerWaalsContact C-N 3.27Å; G38-P40 WeakPolarHBondContact O-CD 3.29Å; G38-W41 PolarHBondContact O-N 3.32Å
39S56.5Low52Low88 Ų88120.5 Ų120.562%0.61564%0.642SS**THydrogen-bonded Turntrans-40.4-20.6-171-630000120.1H43S39-H43 PolarHBondContact O-CD2 3.45Å
40P56.4Low52.8Low95 Ų95118 Ų11862%0.61764%0.637SS**Hα-helixtrans-64.8-38.2174.8-27.337000115G38 H43 V44G38-P40 VanDerWaalsContact C-N 3.27Å; G38-P40 WeakPolarHBondContact O-CD 3.29Å; P40-H43 PolarHBondContact O-N 2.88Å; P40-V44 WeakPolarHBondContact O-CG2 3.45Å; P40-V44 PolarHBondContact O-N 3.3Å
41W52.6Low53.8Low184 Ų184113.6 Ų113.670%0.69762%0.624SS**Hα-helixtrans-72.9-34.4-173.9-105.982000113G38 V44 I45G38-W41 PolarHBondContact O-N 3.32Å; W41-V44 PolarHBondContact O-N 3.47Å; W41-I45 HydrophobicContact CE3-CD1 3.96Å; W41-I45 HydrophobicContact CE3-CG1 4.18Å; W41-I45 WeakPolarHBondContact O-CB 3.49Å; W41-I45 WeakPolarHBondContact O-CD1 3.31Å; W41-I45 WeakPolarHBondContact O-CG1 3.46Å; W41-I45 PolarHBondContact O-N 2.98Å
42L58.7Low55.3Low104 Ų104110.6 Ų110.655%0.54561%0.607SS.*Hα-helixtrans-67.5-38.2173.7-73.9169.7000111.9V44 I45 I46L42-V44 VanDerWaalsContact C-N 3.32Å; L42-V44 PolarHBondContact O-N 3.05Å; L42-I45 PolarHBondContact O-N 3.13Å; L42-I46 WeakPolarHBondContact O-CB 3.44Å; L42-I46 VanDerWaalsContact O-CG1 3.3Å; L42-I46 WeakPolarHBondContact O-CG1 3.02Å; L42-I46 PolarHBondContact O-N 3.41Å
43H59.9Low56.6Low144 Ų144105.1 Ų105.167%0.66759%0.59SS**Hα-helixtrans-61.4-41170.7-90.5-81.1000111.5S39 P40 I46 A47S39-H43 PolarHBondContact O-CD2 3.45Å; P40-H43 PolarHBondContact O-N 2.88Å; H43-I46 PolarHBondContact O-N 2.78Å; H43-A47 WeakPolarHBondContact O-CA 3.37Å; H43-A47 WeakPolarHBondContact O-CB 3.45Å; H43-A47 PolarHBondContact O-N 3.47Å
44V61Low58.1Low80 Ų80105.8 Ų105.849%0.48558%0.58SS.*Hα-helixtrans-64.1-46.6173.6174.40000110.8P40 W41 L42 I46 A47 F48P40-V44 WeakPolarHBondContact O-CG2 3.45Å; P40-V44 PolarHBondContact O-N 3.3Å; W41-V44 PolarHBondContact O-N 3.47Å; L42-V44 VanDerWaalsContact C-N 3.32Å; L42-V44 PolarHBondContact O-N 3.05Å; V44-I46 VanDerWaalsContact C-N 3.28Å; V44-I46 PolarHBondContact O-N 2.87Å; V44-A47 PolarHBondContact O-N 3.13Å; V44-F48 WeakPolarHBondContact O-CB 3.12Å; V44-F48 PolarHBondContact O-N 3.03Å
45I61.9Low59.7Low92 Ų92103.9 Ų103.947%0.47257%0.568SS.*Hα-helixtrans-64.2-28.3179.8-67.3161.4000112.6W41 L42 P49W41-I45 HydrophobicContact CE3-CD1 3.96Å; W41-I45 HydrophobicContact CE3-CG1 4.18Å; W41-I45 WeakPolarHBondContact O-CB 3.49Å; W41-I45 WeakPolarHBondContact O-CD1 3.31Å; W41-I45 WeakPolarHBondContact O-CG1 3.46Å; W41-I45 PolarHBondContact O-N 2.98Å; L42-I45 PolarHBondContact O-N 3.13Å; I45-P49 WeakPolarHBondContact O-CD 3.18Å; I45-P49 WeakPolarHBondContact O-CG 3.4Å
46I61.3Low61.4Low115 Ų115100.6 Ų100.659%0.5955%0.55SS*.Hα-helixtrans-92.1-36.7178-63.5167.3000112.2L42 H43 V44 P49 T50L42-I46 WeakPolarHBondContact O-CB 3.44Å; L42-I46 VanDerWaalsContact O-CG1 3.3Å; L42-I46 WeakPolarHBondContact O-CG1 3.02Å; L42-I46 PolarHBondContact O-N 3.41Å; H43-I46 PolarHBondContact O-N 2.78Å; V44-I46 VanDerWaalsContact C-N 3.28Å; V44-I46 PolarHBondContact O-N 2.87Å; I46-P49 WeakPolarHBondContact O-CD 3.27Å; I46-T50 PolarHBondContact O-OG1 2.9Å
47A57.3Low63Low49 Ų4994.3 Ų94.341%0.40553%0.529SS..Hα-helixtrans-72.8-38.5178.700000111.9H43 V44 T50 S51H43-A47 WeakPolarHBondContact O-CA 3.37Å; H43-A47 WeakPolarHBondContact O-CB 3.45Å; H43-A47 PolarHBondContact O-N 3.47Å; V44-A47 PolarHBondContact O-N 3.13Å; A47-T50 PolarHBondContact O-N 3.5Å; A47-T50 VanDerWaalsContact O-N 3.16Å; A47-S51 WeakPolarHBondContact O-CB 3.29Å; A47-S51 PolarHBondContact O-N 2.91Å; A47-S51 PolarHBondContact O-OG 3.41Å
48F57Low64.7Low152 Ų15297 Ų9767%0.66753%0.53SS*.Hα-helixtrans-62-39.9-178.7-152.7-90.4000112.3V44 T50 Y52V44-F48 WeakPolarHBondContact O-CB 3.12Å; V44-F48 PolarHBondContact O-N 3.03Å; F48-T50 PolarHBondContact O-N 2.97Å; F48-Y52 WeakPolarHBondContact O-CD1 3.37Å; F48-Y52 PolarHBondContact O-N 2.92Å
49P60.7Low66.8Low45 Ų45102.4 Ų102.429%0.29253%0.534SS..Hα-helixtrans-61.7-41.1171.3-28.335.9000115.6I45 I46 Y52 K53I45-P49 WeakPolarHBondContact O-CD 3.18Å; I45-P49 WeakPolarHBondContact O-CG 3.4Å; I46-P49 WeakPolarHBondContact O-CD 3.27Å; P49-Y52 HydrophobicContact CB-CD1 4.22Å; P49-Y52 HydrophobicContact CB-CE1 3.68Å; P49-Y52 HydrophobicContact CG-CE1 4.37Å; P49-Y52 VanDerWaalsContact O-CD1 3.31Å; P49-Y52 WeakPolarHBondContact O-CD1 3.39Å; P49-Y52 WeakPolarHBondContact O-CE1 3.46Å; P49-K53 VanDerWaalsContact O-CG 3.29Å; P49-K53 WeakPolarHBondContact O-CG 3.27Å; P49-K53 PolarHBondContact O-N 3.25Å; P49-K53 VanDerWaalsContact O-N 3.14Å
50T60Low68.3Low85 Ų85102 Ų10252%0.52152%0.524SS..Hα-helixtrans-71.7-42.6-177.4-51.60000109.9I46 A47 F48 K53 V54I46-T50 PolarHBondContact O-OG1 2.9Å; A47-T50 PolarHBondContact O-N 3.5Å; A47-T50 VanDerWaalsContact O-N 3.16Å; F48-T50 PolarHBondContact O-N 2.97Å; T50-K53 PolarHBondContact O-N 2.9Å; T50-V54 VanDerWaalsContact O-CG2 3.31Å; T50-V54 WeakPolarHBondContact O-CG2 3.18Å; T50-V54 PolarHBondContact O-N 2.93Å; T50-V54 VanDerWaalsContact O-N 3.08Å
51S65.9Low69.9Low69 Ų69101.3 Ų101.348%0.48352%0.518SS..Hα-helixtrans-65.6-43.2175.8-65.20000112.4A47 K53 V54 V55A47-S51 WeakPolarHBondContact O-CB 3.29Å; A47-S51 PolarHBondContact O-N 2.91Å; A47-S51 PolarHBondContact O-OG 3.41Å; S51-K53 VanDerWaalsContact C-N 3.31Å; S51-K53 PolarHBondContact O-N 3.43Å; S51-V54 PolarHBondContact O-N 3.29Å; S51-V55 VanDerWaalsContact O-CG2 3.3Å; S51-V55 WeakPolarHBondContact O-CG2 3.2Å; S51-V55 PolarHBondContact O-N 3.09Å
52Y75.3Confident71.5Confident109 Ų109100.3 Ų100.343%0.42752%0.515SS..Hα-helixtrans-63.8-39.2176.886.1-118.2000111.2F48 P49 V54 V55 I56F48-Y52 WeakPolarHBondContact O-CD1 3.37Å; F48-Y52 PolarHBondContact O-N 2.92Å; P49-Y52 HydrophobicContact CB-CD1 4.22Å; P49-Y52 HydrophobicContact CB-CE1 3.68Å; P49-Y52 HydrophobicContact CG-CE1 4.37Å; P49-Y52 VanDerWaalsContact O-CD1 3.31Å; P49-Y52 WeakPolarHBondContact O-CD1 3.39Å; P49-Y52 WeakPolarHBondContact O-CE1 3.46Å; Y52-V54 VanDerWaalsContact C-N 3.28Å; Y52-V54 PolarHBondContact O-N 2.99Å; Y52-V55 PolarHBondContact O-N 3.36Å; Y52-I56 HydrophobicContact CD2-CD1 3.64Å; Y52-I56 HydrophobicContact CD2-CG1 4.5Å; Y52-I56 HydrophobicContact CE2-CD1 4.3Å; Y52-I56 WeakPolarHBondContact O-CB 3.3Å; Y52-I56 VanDerWaalsContact O-CG1 3.22Å; Y52-I56 WeakPolarHBondContact O-CG1 3.47Å; Y52-I56 PolarHBondContact O-N 2.79Å
53K75.3Confident72.9Confident123 Ų12399.9 Ų99.954%0.53551%0.513SS..Hα-helixtrans-62.5-40.5178.4-76.4-178.8-178.2178.10110.8P49 T50 S51 T57P49-K53 VanDerWaalsContact O-CG 3.29Å; P49-K53 WeakPolarHBondContact O-CG 3.27Å; P49-K53 PolarHBondContact O-N 3.25Å; P49-K53 VanDerWaalsContact O-N 3.14Å; T50-K53 PolarHBondContact O-N 2.9Å; S51-K53 VanDerWaalsContact C-N 3.31Å; S51-K53 PolarHBondContact O-N 3.43Å; K53-T57 VanDerWaalsContact O-CB 3.25Å; K53-T57 WeakPolarHBondContact O-CB 3.39Å; K53-T57 PolarHBondContact O-N 2.94Å; K53-T57 PolarHBondContact O-OG1 3.46Å
54V75Confident74.1Confident79 Ų79100.7 Ų100.748%0.47951%0.51SS..Hα-helixtrans-66.2-46.8176.7173.10000110.7T50 S51 Y52 T57 L58T50-V54 VanDerWaalsContact O-CG2 3.31Å; T50-V54 WeakPolarHBondContact O-CG2 3.18Å; T50-V54 PolarHBondContact O-N 2.93Å; T50-V54 VanDerWaalsContact O-N 3.08Å; S51-V54 PolarHBondContact O-N 3.29Å; Y52-V54 VanDerWaalsContact C-N 3.28Å; Y52-V54 PolarHBondContact O-N 2.99Å; V54-T57 PolarHBondContact O-N 3.3Å; V54-L58 HydrophobicContact CG1-CD1 3.83Å; V54-L58 HydrophobicContact CG1-CG 4.34Å; V54-L58 WeakPolarHBondContact O-CB 3.44Å; V54-L58 VanDerWaalsContact O-CG 3.27Å; V54-L58 WeakPolarHBondContact O-CG 3.4Å; V54-L58 PolarHBondContact O-N 2.92Å
55V78.6Confident75.2Confident95 Ų95100.9 Ų100.958%0.57651%0.511SS*.Hα-helixtrans-63.2-45.7179.4173.20000111.8S51 Y52 T57 L58 W59S51-V55 VanDerWaalsContact O-CG2 3.3Å; S51-V55 WeakPolarHBondContact O-CG2 3.2Å; S51-V55 PolarHBondContact O-N 3.09Å; Y52-V55 PolarHBondContact O-N 3.36Å; V55-T57 VanDerWaalsContact C-N 3.33Å; V55-T57 PolarHBondContact O-N 2.84Å; V55-L58 PolarHBondContact O-N 3.25Å; V55-W59 WeakPolarHBondContact O-CB 3.26Å; V55-W59 PolarHBondContact O-N 2.91Å
56I82.9Confident76.1Confident82 Ų8298.5 Ų98.542%0.42150%0.503SS..Hα-helixtrans-62-43.6176-68.3176.5000110.3Y52 L58 W59 I60Y52-I56 HydrophobicContact CD2-CD1 3.64Å; Y52-I56 HydrophobicContact CD2-CG1 4.5Å; Y52-I56 HydrophobicContact CE2-CD1 4.3Å; Y52-I56 WeakPolarHBondContact O-CB 3.3Å; Y52-I56 VanDerWaalsContact O-CG1 3.22Å; Y52-I56 WeakPolarHBondContact O-CG1 3.47Å; Y52-I56 PolarHBondContact O-N 2.79Å; I56-L58 PolarHBondContact O-N 2.94Å; I56-W59 PolarHBondContact O-N 2.91Å; I56-I60 HydrophobicContact CG2-CD1 3.71Å; I56-I60 HydrophobicContact CG2-CG1 4.36Å; I56-I60 WeakPolarHBondContact O-CB 3.25Å; I56-I60 VanDerWaalsContact O-CG1 3.24Å; I56-I60 WeakPolarHBondContact O-CG1 3.2Å; I56-I60 PolarHBondContact O-N 2.75Å
57T79.4Confident76.9Confident82 Ų8297.3 Ų97.350%0.50350%0.497SS..Hα-helixtrans-62.8-44.7178.2-56.10000111.2K53 V54 V55 W59 I60 V61K53-T57 VanDerWaalsContact O-CB 3.25Å; K53-T57 WeakPolarHBondContact O-CB 3.39Å; K53-T57 PolarHBondContact O-N 2.94Å; K53-T57 PolarHBondContact O-OG1 3.46Å; V54-T57 PolarHBondContact O-N 3.3Å; V55-T57 VanDerWaalsContact C-N 3.33Å; V55-T57 PolarHBondContact O-N 2.84Å; T57-W59 PolarHBondContact O-N 3.29Å; T57-I60 PolarHBondContact O-N 3.44Å; T57-V61 VanDerWaalsContact O-CG2 3.3Å; T57-V61 WeakPolarHBondContact O-CG2 3.48Å; T57-V61 PolarHBondContact O-N 3.37Å
58L81.9Confident78.1Confident111 Ų11199.7 Ų99.758%0.58150%0.503SS*.Hα-helixtrans-63-41176.2-73171.7000111.7V54 V55 I56 V61 Y62V54-L58 HydrophobicContact CG1-CD1 3.83Å; V54-L58 HydrophobicContact CG1-CG 4.34Å; V54-L58 WeakPolarHBondContact O-CB 3.44Å; V54-L58 VanDerWaalsContact O-CG 3.27Å; V54-L58 WeakPolarHBondContact O-CG 3.4Å; V54-L58 PolarHBondContact O-N 2.92Å; V55-L58 PolarHBondContact O-N 3.25Å; I56-L58 PolarHBondContact O-N 2.94Å; L58-V61 PolarHBondContact O-N 3.5Å; L58-Y62 VanDerWaalsContact O-CB 3.23Å; L58-Y62 WeakPolarHBondContact O-CB 3.29Å; L58-Y62 PolarHBondContact O-N 3.46Å
59W84.9Confident78.9Confident168 Ų168100 Ų10064%0.63650%0.503SS*.Hα-helixtrans-65.1-41.6176.7-172.860.4000112.1V55 I56 T57 Y62 L63V55-W59 WeakPolarHBondContact O-CB 3.26Å; V55-W59 PolarHBondContact O-N 2.91Å; I56-W59 PolarHBondContact O-N 2.91Å; T57-W59 PolarHBondContact O-N 3.29Å; W59-Y62 PolarHBondContact O-N 3Å; W59-L63 VanDerWaalsContact O-CB 3.29Å; W59-L63 WeakPolarHBondContact O-CB 3.4Å; W59-L63 PolarHBondContact O-N 3.11Å
60I88.3Confident79.3Confident78 Ų78102.1 Ų102.140%0.452%0.516SS..Hα-helixtrans-62.8-47.8174.6-69.8167.2000110.4I56 T57 Y62 L63 W64I56-I60 HydrophobicContact CG2-CD1 3.71Å; I56-I60 HydrophobicContact CG2-CG1 4.36Å; I56-I60 WeakPolarHBondContact O-CB 3.25Å; I56-I60 VanDerWaalsContact O-CG1 3.24Å; I56-I60 WeakPolarHBondContact O-CG1 3.2Å; I56-I60 PolarHBondContact O-N 2.75Å; T57-I60 PolarHBondContact O-N 3.44Å; I60-Y62 VanDerWaalsContact C-N 3.32Å; I60-Y62 PolarHBondContact O-N 3.31Å; I60-L63 PolarHBondContact O-N 3.2Å; I60-W64 WeakPolarHBondContact O-CB 3.35Å; I60-W64 VanDerWaalsContact O-CD1 3.3Å; I60-W64 PolarHBondContact O-N 3.18Å
61V89.2Confident79.9Confident81 Ų81102.4 Ų102.449%0.49151%0.513SS..Hα-helixtrans-61.5-43.6178.1171.40000110.5T57 L58 W64 V65T57-V61 VanDerWaalsContact O-CG2 3.3Å; T57-V61 WeakPolarHBondContact O-CG2 3.48Å; T57-V61 PolarHBondContact O-N 3.37Å; L58-V61 PolarHBondContact O-N 3.5Å; V61-W64 PolarHBondContact O-N 3.45Å; V61-V65 HydrophobicContact CG1-CG2 4.31Å; V61-V65 WeakPolarHBondContact O-CB 3.34Å; V61-V65 VanDerWaalsContact O-CG2 3.29Å; V61-V65 WeakPolarHBondContact O-CG2 3.33Å; V61-V65 PolarHBondContact O-N 3.1Å
62Y87.4Confident79.6Confident163 Ų163105 Ų10564%0.63952%0.516SS*.Hα-helixtrans-62.3-44.1177.1-179.5-99.1000112.4L58 W59 I60 W64 V65 S66L58-Y62 VanDerWaalsContact O-CB 3.23Å; L58-Y62 WeakPolarHBondContact O-CB 3.29Å; L58-Y62 PolarHBondContact O-N 3.46Å; W59-Y62 PolarHBondContact O-N 3Å; I60-Y62 VanDerWaalsContact C-N 3.32Å; I60-Y62 PolarHBondContact O-N 3.31Å; Y62-W64 VanDerWaalsContact C-N 3.34Å; Y62-W64 PolarHBondContact O-N 3.33Å; Y62-V65 PolarHBondContact O-N 2.92Å; Y62-S66 VanDerWaalsContact O-CB 3.27Å; Y62-S66 WeakPolarHBondContact O-CB 3.29Å; Y62-S66 PolarHBondContact O-N 3.25Å; Y62-S66 PolarHBondContact O-OG 3.26Å
63L87.4Confident78.6Confident95 Ų95110.3 Ų110.350%0.49754%0.535SS..Hα-helixtrans-63.1-42.1176.5-169.771.9000111W59 I60 S66 L67W59-L63 VanDerWaalsContact O-CB 3.29Å; W59-L63 WeakPolarHBondContact O-CB 3.4Å; W59-L63 PolarHBondContact O-N 3.11Å; I60-L63 PolarHBondContact O-N 3.2Å; L63-S66 PolarHBondContact O-N 2.91Å; L63-L67 VanDerWaalsContact O-CB 3.29Å; L63-L67 WeakPolarHBondContact O-CB 3.35Å; L63-L67 PolarHBondContact O-N 2.94Å
64W86.4Confident77.5Confident161 Ų161107.8 Ų107.861%0.6153%0.533SS*.Hα-helixtrans-64.4-47.5175.6-93.189.3000112.3I60 V61 Y62 S66 L67 L68I60-W64 WeakPolarHBondContact O-CB 3.35Å; I60-W64 VanDerWaalsContact O-CD1 3.3Å; I60-W64 PolarHBondContact O-N 3.18Å; V61-W64 PolarHBondContact O-N 3.45Å; Y62-W64 VanDerWaalsContact C-N 3.34Å; Y62-W64 PolarHBondContact O-N 3.33Å; W64-S66 VanDerWaalsContact C-N 3.29Å; W64-S66 PolarHBondContact O-N 3.47Å; W64-L67 PolarHBondContact O-N 3.41Å; W64-L68 HydrophobicContact CE3-CD1 3.93Å; W64-L68 VanDerWaalsContact O-CB 3.29Å; W64-L68 WeakPolarHBondContact O-CB 3.43Å; W64-L68 WeakPolarHBondContact O-CD1 3.23Å; W64-L68 PolarHBondContact O-N 2.79Å
65V83.5Confident76.3Confident85 Ų85112.3 Ų112.352%0.51554%0.542SS..Hα-helixtrans-62-40177.41710000110.7V61 Y62 L68 K69V61-V65 HydrophobicContact CG1-CG2 4.31Å; V61-V65 WeakPolarHBondContact O-CB 3.34Å; V61-V65 VanDerWaalsContact O-CG2 3.29Å; V61-V65 WeakPolarHBondContact O-CG2 3.33Å; V61-V65 PolarHBondContact O-N 3.1Å; Y62-V65 PolarHBondContact O-N 2.92Å; V65-L68 PolarHBondContact O-N 3.45Å; V65-K69 WeakPolarHBondContact O-CB 3.36Å; V65-K69 PolarHBondContact O-N 2.88Å
66S80.6Confident74.9Confident41 Ų41113.1 Ų113.129%0.28754%0.543SS..Hα-helixtrans-65.5-42.5176.5-60.50000111.8Y62 L63 W64 K69 T70Y62-S66 VanDerWaalsContact O-CB 3.27Å; Y62-S66 WeakPolarHBondContact O-CB 3.29Å; Y62-S66 PolarHBondContact O-N 3.25Å; Y62-S66 PolarHBondContact O-OG 3.26Å; L63-S66 PolarHBondContact O-N 2.91Å; W64-S66 VanDerWaalsContact C-N 3.29Å; W64-S66 PolarHBondContact O-N 3.47Å; S66-K69 PolarHBondContact O-N 3.4Å; S66-T70 WeakPolarHBondContact O-CG2 3.24Å; S66-T70 PolarHBondContact O-N 2.9Å; S66-T70 PolarHBondContact O-OG1 2.85Å
67L78.9Confident73.3Confident91 Ų91112 Ų11248%0.47655%0.551SS.*Hα-helixtrans-67.7-41.1175.5-168.7114.5000112.2L63 W64 K69 T70 I71L63-L67 VanDerWaalsContact O-CB 3.29Å; L63-L67 WeakPolarHBondContact O-CB 3.35Å; L63-L67 PolarHBondContact O-N 2.94Å; W64-L67 PolarHBondContact O-N 3.41Å; L67-K69 VanDerWaalsContact C-N 3.32Å; L67-K69 PolarHBondContact O-N 2.95Å; L67-T70 WeakPolarHBondContact CA-OG1 3.25Å; L67-T70 PolarHBondContact O-N 3.39Å; L67-T70 PolarHBondContact O-OG1 3.5Å; L67-I71 HydrophobicContact CD2-CD1 3.67Å; L67-I71 HydrophobicContact CG-CD1 4.02Å; L67-I71 WeakPolarHBondContact O-CB 3.29Å; L67-I71 WeakPolarHBondContact O-CD1 3.45Å; L67-I71 WeakPolarHBondContact O-CG1 3.08Å; L67-I71 PolarHBondContact O-N 2.84Å
68L81.1Confident71.9Confident99 Ų99113.4 Ų113.452%0.51855%0.552SS.*Hα-helixtrans-62.1-42173.4-91.1141.9000110.7W64 V65 I71 F72W64-L68 HydrophobicContact CE3-CD1 3.93Å; W64-L68 VanDerWaalsContact O-CB 3.29Å; W64-L68 WeakPolarHBondContact O-CB 3.43Å; W64-L68 WeakPolarHBondContact O-CD1 3.23Å; W64-L68 PolarHBondContact O-N 2.79Å; V65-L68 PolarHBondContact O-N 3.45Å; L68-I71 PolarHBondContact O-N 3.31Å; L68-F72 VanDerWaalsContact O-CB 3.24Å; L68-F72 WeakPolarHBondContact O-CB 3.31Å; L68-F72 PolarHBondContact O-N 3.44Å
69K73.8Confident70.3Confident157 Ų157114.8 Ų114.868%0.68356%0.56SS**Hα-helixtrans-65.1-43.5177.8-173.4158.7175.2152.90111.6V65 S66 L67 F72 W73V65-K69 WeakPolarHBondContact O-CB 3.36Å; V65-K69 PolarHBondContact O-N 2.88Å; S66-K69 PolarHBondContact O-N 3.4Å; L67-K69 VanDerWaalsContact C-N 3.32Å; L67-K69 PolarHBondContact O-N 2.95Å; K69-F72 PolarHBondContact O-N 3.43Å; K69-W73 VanDerWaalsContact O-CB 3.25Å; K69-W73 WeakPolarHBondContact O-CB 3.2Å; K69-W73 PolarHBondContact O-N 3.42Å
70T70Confident68.8Low90 Ų90109.3 Ų109.355%0.55256%0.556SS**Hα-helixtrans-65.8-41.1175.853.50000112.4S66 L67 S74S66-T70 WeakPolarHBondContact O-CG2 3.24Å; S66-T70 PolarHBondContact O-N 2.9Å; S66-T70 PolarHBondContact O-OG1 2.85Å; L67-T70 WeakPolarHBondContact CA-OG1 3.25Å; L67-T70 PolarHBondContact O-N 3.39Å; L67-T70 PolarHBondContact O-OG1 3.5Å; T70-S74 WeakPolarHBondContact O-CB 3.4Å; T70-S74 PolarHBondContact O-N 3.27Å
71I71.4Confident67.1Low91 Ų91109.1 Ų109.147%0.46756%0.562SS.*Hα-helixtrans-64.9-44.9176.3-68.2166.8000111L67 L68 S74 R75L67-I71 HydrophobicContact CD2-CD1 3.67Å; L67-I71 HydrophobicContact CG-CD1 4.02Å; L67-I71 WeakPolarHBondContact O-CB 3.29Å; L67-I71 WeakPolarHBondContact O-CD1 3.45Å; L67-I71 WeakPolarHBondContact O-CG1 3.08Å; L67-I71 PolarHBondContact O-N 2.84Å; L68-I71 PolarHBondContact O-N 3.31Å; I71-S74 PolarHBondContact O-N 2.82Å; I71-S74 PolarHBondContact O-OG 2.89Å; I71-R75 PolarHBondContact O-N 2.77Å; I71-R75 VanDerWaalsContact O-N 3.11Å
72F60.4Low65.4Low124 Ų124108.6 Ų108.654%0.54456%0.558SS.*Hα-helixtrans-70.8-34.8-177.8-149.1-98.9000112.1L68 K69 R75 N76L68-F72 VanDerWaalsContact O-CB 3.24Å; L68-F72 WeakPolarHBondContact O-CB 3.31Å; L68-F72 PolarHBondContact O-N 3.44Å; K69-F72 PolarHBondContact O-N 3.43Å; F72-R75 PolarHBondContact O-N 2.86Å; F72-N76 WeakPolarHBondContact CE1-ND2 3.22Å; F72-N76 PolarHBondContact O-N 3.5Å
73W53.7Low64.1Low220 Ų220104.4 Ų104.483%0.83355%0.547SS*.Hα-helixtrans-67.3-37.4172.3-145.845.9000111.7K69 R75 N76 G77K69-W73 VanDerWaalsContact O-CB 3.25Å; K69-W73 WeakPolarHBondContact O-CB 3.2Å; K69-W73 PolarHBondContact O-N 3.42Å; W73-R75 PolarHBondContact O-N 2.96Å; W73-N76 PolarHBondContact O-N 3.44Å; W73-G77 PolarHBondContact O-N 2.97Å
74S52.8Low62.6Low70 Ų70104.4 Ų104.449%0.4955%0.551SS.*Hα-helixtrans-65.2-25172.486.30000113.4T70 I71 H78T70-S74 WeakPolarHBondContact O-CB 3.4Å; T70-S74 PolarHBondContact O-N 3.27Å; I71-S74 PolarHBondContact O-N 2.82Å; I71-S74 PolarHBondContact O-OG 2.89Å; S74-H78 PolarHBondContact O-CD2 3.41Å
75R50Low61.1Low175 Ų175103.6 Ų103.666%0.6655%0.554SS**Hα-helixtrans-89.3-33.7179.4-163.7133.683.8179.67.8113.1I71 F72 W73I71-R75 PolarHBondContact O-N 2.77Å; I71-R75 VanDerWaalsContact O-N 3.11Å; F72-R75 PolarHBondContact O-N 2.86Å; W73-R75 PolarHBondContact O-N 2.96Å
76N48.2Very low59.9Low111 Ų111104.4 Ų104.459%0.59455%0.552SS**Hα-helixtrans-86.2-16-178.7-76.19.9000114.1F72 W73F72-N76 WeakPolarHBondContact CE1-ND2 3.22Å; F72-N76 PolarHBondContact O-N 3.5Å; W73-N76 PolarHBondContact O-N 3.44Å
77G49.6Very low59Low58 Ų58110.4 Ų110.460%0.59857%0.569SS**SBendtrans-92.9-6.9179.100000115.8W73W73-G77 PolarHBondContact O-N 2.97Å
78H50.1Low57.9Low112 Ų112108.6 Ų108.652%0.51957%0.566SS.*SBendtrans-104-3.4-167.9-95.5-39000116.6S74 T82S74-H78 PolarHBondContact O-CD2 3.41Å; H78-T82 PolarHBondContact O-OG1 3.31Å
79D49.1Very low56.8Low140 Ų140111.2 Ų111.275%0.74957%0.569SS**THydrogen-bonded Turntrans-84.6-10.8-172.1-76.4-13.4000114.8
80G52.8Low56Low54 Ų54111 Ų11156%0.55756%0.564SS**THydrogen-bonded Turntrans-102.6-38.1176.500000115.2
81S52.7Low55.4Low74 Ų74110.2 Ų110.252%0.51756%0.563SS.*Hα-helixtrans-83.5-31.7-169.8172.70000113.4Q85S81-Q85 WeakPolarHBondContact O-CB 3.24Å; S81-Q85 VanDerWaalsContact O-CG 3.31Å; S81-Q85 WeakPolarHBondContact O-CG 3.31Å; S81-Q85 PolarHBondContact O-N 2.84Å; S81-Q85 VanDerWaalsContact O-N 3.13Å
82T54.6Low54.8Low69 Ų69110.9 Ų110.942%0.42357%0.567SS.*Hα-helixtrans-71.8-34.2-179.750.60000112.4H78 Q86H78-T82 PolarHBondContact O-OG1 3.31Å; T82-Q86 WeakPolarHBondContact O-CB 3.43Å; T82-Q86 PolarHBondContact O-N 2.86Å
83D58.2Low54.6Low75 Ų75111.3 Ų111.340%0.40157%0.565SS.*Hα-helixtrans-66.9-41.5176.9-170.863.8000112Q86 R87D83-Q86 PolarHBondContact O-N 3.22Å; D83-R87 WeakPolarHBondContact O-CB 3.35Å; D83-R87 PolarHBondContact O-N 2.95Å; D83-R87 IonicContact OD2-CZ 3.09Å; D83-R87 IonicContact OD2-NH1 3.38Å; D83-R87 IonicContact OD2-NH2 2.84Å
84V57.3Low54.8Low95 Ų95110.6 Ų110.658%0.57656%0.562SS**Hα-helixtrans-67.7-45.5178.2-178.50000111.3Q86 R87 A88V84-Q86 VanDerWaalsContact C-N 3.33Å; V84-Q86 PolarHBondContact O-N 3.41Å; V84-R87 PolarHBondContact O-N 3.43Å; V84-A88 WeakPolarHBondContact O-CB 3.35Å; V84-A88 PolarHBondContact O-N 2.84Å
85Q55.1Low54.8Low145 Ų145116.5 Ų116.568%0.67857%0.574SS**Hα-helixtrans-63-39.8175.8-73.4-101.6-42.200111.7S81 W89S81-Q85 WeakPolarHBondContact O-CB 3.24Å; S81-Q85 VanDerWaalsContact O-CG 3.31Å; S81-Q85 WeakPolarHBondContact O-CG 3.31Å; S81-Q85 PolarHBondContact O-N 2.84Å; S81-Q85 VanDerWaalsContact O-N 3.13Å; Q85-W89 VanDerWaalsContact O-CB 3.27Å; Q85-W89 WeakPolarHBondContact O-CB 3.29Å; Q85-W89 PolarHBondContact O-N 3.37Å
86Q57.9Low54.8Low102 Ų102113.4 Ų113.448%0.47757%0.567SS.*Hα-helixtrans-75.6-31.5180-166.4153.9-37.500112.5T82 D83 V84 R90T82-Q86 WeakPolarHBondContact O-CB 3.43Å; T82-Q86 PolarHBondContact O-N 2.86Å; D83-Q86 PolarHBondContact O-N 3.22Å; V84-Q86 VanDerWaalsContact C-N 3.33Å; V84-Q86 PolarHBondContact O-N 3.41Å; Q86-R90 WeakPolarHBondContact O-CB 3.3Å; Q86-R90 WeakPolarHBondContact O-CG 3.27Å; Q86-R90 PolarHBondContact O-N 2.87Å
87R60.9Low55Low167 Ų167113.8 Ų113.863%0.6357%0.565SS**Hα-helixtrans-69.9-42.1171.2-172.8175.7-79.5161.20.3111.3D83 V84 R90 S91D83-R87 WeakPolarHBondContact O-CB 3.35Å; D83-R87 PolarHBondContact O-N 2.95Å; D83-R87 IonicContact OD2-CZ 3.09Å; D83-R87 IonicContact OD2-NH1 3.38Å; D83-R87 IonicContact OD2-NH2 2.84Å; V84-R87 PolarHBondContact O-N 3.43Å; R87-R90 PolarHBondContact O-N 3.38Å; R87-S91 WeakPolarHBondContact O-CB 3.41Å; R87-S91 PolarHBondContact O-N 2.85Å
88A57.2Low55.2Low52 Ų52113.9 Ų113.943%0.4357%0.566SS.*Hα-helixtrans-63.5-40.8172.300000112V84 S91 N92V84-A88 WeakPolarHBondContact O-CB 3.35Å; V84-A88 PolarHBondContact O-N 2.84Å; A88-S91 PolarHBondContact O-N 3.34Å; A88-N92 PolarHBondContact O-N 2.91Å
89W57.1Low55Low154 Ų154115 Ų11558%0.58358%0.575SS**Hα-helixtrans-66.9-40.8177.1-169.282.7000112.9Q85 S91 N92 R93Q85-W89 VanDerWaalsContact O-CB 3.27Å; Q85-W89 WeakPolarHBondContact O-CB 3.29Å; Q85-W89 PolarHBondContact O-N 3.37Å; W89-S91 VanDerWaalsContact C-N 3.32Å; W89-S91 PolarHBondContact O-N 3.47Å; W89-N92 PolarHBondContact O-N 2.84Å; W89-R93 WeakPolarHBondContact O-CB 3.3Å; W89-R93 PolarHBondContact O-N 3.27Å
90R57.2Low54.9Low153 Ų153117.5 Ų117.558%0.57757%0.574SS**Hα-helixtrans-64.7-35.2174-78.5-176.1-176.4145.3-1.1112.6Q86 R87 R94Q86-R90 WeakPolarHBondContact O-CB 3.3Å; Q86-R90 WeakPolarHBondContact O-CG 3.27Å; Q86-R90 PolarHBondContact O-N 2.87Å; R87-R90 PolarHBondContact O-N 3.38Å; R90-R94 PolarHBondContact O-N 3.35Å
91S57.7Low54.6Low74 Ų74119.8 Ų119.852%0.51758%0.581SS.*Hα-helixtrans-66.6-47.2175148.90000111.9R87 A88 W89 R93 R94 R95R87-S91 WeakPolarHBondContact O-CB 3.41Å; R87-S91 PolarHBondContact O-N 2.85Å; A88-S91 PolarHBondContact O-N 3.34Å; W89-S91 VanDerWaalsContact C-N 3.32Å; W89-S91 PolarHBondContact O-N 3.47Å; S91-R93 VanDerWaalsContact C-N 3.33Å; S91-R93 PolarHBondContact O-N 3.24Å; S91-R94 PolarHBondContact O-N 2.88Å; S91-R95 PolarHBondContact O-N 3.49Å
92N58.7Low54.5Low104 Ų104123.1 Ų123.156%0.55659%0.592SS**Hα-helixtrans-68.8-30.2179.5-105.7-29.1000113.3A88 W89 R95 Q96A88-N92 PolarHBondContact O-N 2.91Å; W89-N92 PolarHBondContact O-N 2.84Å; N92-R95 PolarHBondContact O-N 3.3Å; N92-Q96 PolarHBondContact O-N 3.5Å
93R55.8Low54Low134 Ų134124.6 Ų124.651%0.50660%0.604SS.*Hα-helixtrans-65.3-41.4176.3-167.7169-174.8168.63.3112.3W89 S91 Q96 E97W89-R93 WeakPolarHBondContact O-CB 3.3Å; W89-R93 PolarHBondContact O-N 3.27Å; S91-R93 VanDerWaalsContact C-N 3.33Å; S91-R93 PolarHBondContact O-N 3.24Å; R93-Q96 PolarHBondContact O-N 2.92Å; R93-E97 IonicContact NE-OE1 3.53Å; R93-E97 WeakPolarHBondContact O-CG 3.44Å; R93-E97 PolarHBondContact O-N 3.33Å
94R57.2Low53.6Low204 Ų204129.8 Ų129.877%0.7763%0.628SS**Hα-helixtrans-66.6-36.5174.9-72-170.3-176-172.51.3112.8R90 S91R90-R94 PolarHBondContact O-N 3.35Å; S91-R94 PolarHBondContact O-N 2.88Å
95R52.7Low52.8Low194 Ų194133.1 Ų133.173%0.73264%0.637SS**Hα-helixtrans-67.9-34.9173.3-98.3-169.8-177.1-170.71.8113.2S91 N92S91-R95 PolarHBondContact O-N 3.49Å; N92-R95 PolarHBondContact O-N 3.3Å
96Q50.3Low52.6Low110 Ų110132.5 Ų132.551%0.51464%0.643SS.*Hα-helixtrans-74.7-28.2176.5-79.6-129.4-15.900113.6N92 R93 G98 L99 R100N92-Q96 PolarHBondContact O-N 3.5Å; R93-Q96 PolarHBondContact O-N 2.92Å; Q96-G98 PolarHBondContact O-N 3.4Å; Q96-L99 PolarHBondContact O-N 3.46Å; Q96-R100 WeakPolarHBondContact O-CB 3.48Å; Q96-R100 WeakPolarHBondContact O-CG 3.29Å; Q96-R100 PolarHBondContact O-N 2.9Å
97E52.9Low51.6Low120 Ų120137 Ų13756%0.56166%0.661SS**Hα-helixtrans-66-27.6174.7-77.6161.9-174.500112.1R93R93-E97 IonicContact NE-OE1 3.53Å; R93-E97 WeakPolarHBondContact O-CG 3.44Å; R93-E97 PolarHBondContact O-N 3.33Å
98G53.1Low50.9Low60 Ų60138.8 Ų138.862%0.61967%0.674SS**Hα-helixtrans-80.5-22.3171.900000115.6Q96Q96-G98 PolarHBondContact O-N 3.4Å
99L45.9Very low50.2Low134 Ų134147.4 Ų147.470%0.70270%0.695SS**Hα-helixtrans-98-10.1179.3-79.3166.3000113.6Q96 S101 I102Q96-L99 PolarHBondContact O-N 3.46Å; L99-S101 VanDerWaalsContact C-N 3.27Å; L99-S101 PolarHBondContact O-N 2.83Å; L99-I102 PolarHBondContact O-N 3.25Å
100R47.1Very low49.3Very low194 Ų194146.3 Ų146.373%0.73271%0.705SS**THydrogen-bonded Turntrans-76.4-4.1-176.2-91.8176.1-179.9-148.7-0.9115.2Q96Q96-R100 WeakPolarHBondContact O-CB 3.48Å; Q96-R100 WeakPolarHBondContact O-CG 3.29Å; Q96-R100 PolarHBondContact O-N 2.9Å
101S47.8Very low49.1Very low101 Ų101144.5 Ų144.571%0.70672%0.716SS**THydrogen-bonded Turntrans-84.7-9.5173.256.50000113.7L99L99-S101 VanDerWaalsContact C-N 3.27Å; L99-S101 PolarHBondContact O-N 2.83Å
102I49.9Very low48.8Very low144 Ų144145.2 Ų145.274%0.73872%0.721SS**SBendtrans-135.4101-179.8-49.3175.8000109.1L99L99-I102 PolarHBondContact O-N 3.25Å
103C44.7Very low48.2Very low101 Ų101149.4 Ų149.468%0.68274%0.735SS**  trans134.385.7157.8-169.70000111.6H105C103-H105 PolarHBondContact O-N 3.03Å
104M49.5Very low47.8Very low184 Ų184155.4 Ų155.491%0.90676%0.757SS**  trans-76.2109.5149.2-76.4-133.192.200107.7
105H39.8Very low47.4Very low164 Ų164148.1 Ų148.176%0.75975%0.745SS**  trans-133.7124.6153.6-90.4-71000110.8C103 K107C103-H105 PolarHBondContact O-N 3.03Å; H105-K107 PolarHBondContact O-N 3.49Å
106T50.8Low47.6Very low132 Ų132145.3 Ų145.381%0.8175%0.745SS**  trans-59.4104.6-178.439.60000111.6
107K37.8Very low47.9Very low196 Ų196147 Ų14785%0.85275%0.751SS**  trans-106.796.3157.4-85.3-175.3176.2178.60109.5H105 R109H105-K107 PolarHBondContact O-N 3.49Å; K107-R109 PolarHBondContact O-N 2.81Å
108K45Very low48.2Very low206 Ų206147.3 Ų147.390%0.89676%0.755SS**  trans-51.4109.2161.4-83.3-176.8175.7177.20107.9
109R42.9Very low48.4Very low232 Ų232149 Ų14988%0.87575%0.753SS**  trans-87.9106.9162.4-73-169.1178.8-166.6-0.4107.4K107 S111K107-R109 PolarHBondContact O-N 2.81Å; R109-S111 PolarHBondContact O-N 3.33Å; R109-S111 VanDerWaalsContact O-N 3.08Å
110V39.3Very low49.5Very low132 Ų132147.8 Ų147.880%0.875%0.747SS**  trans-58110.3166.91760000107.3
111S51.1Low50.6Low115 Ų115145.1 Ų145.180%0.80474%0.741SS**  trans-86.3107.2175.859.70000109.1R109R109-S111 PolarHBondContact O-N 3.33Å; R109-S111 VanDerWaalsContact O-N 3.08Å
112S52.5Low51.8Low88 Ų88144.8 Ų144.862%0.61573%0.731SS**  trans-138.587.9167.756.70000109.5
113F45.2Very low52.9Low193 Ų193142.1 Ų142.185%0.84672%0.721SS**  trans-160.889.8141.1-95.8-69.9000107.8
114R48.8Very low54.5Low259 Ų259140.7 Ų140.798%0.97771%0.706SS**  trans-10256.4179.2-167-176.7-170.4-132.34.4108.8
115G48.8Very low56.1Low51 Ų51135.7 Ų135.753%0.52669%0.686SS.*SBendtrans-120.2-54.5-177.300000114
116N55.6Low58Low136 Ų136133.1 Ų133.173%0.72768%0.677SS**SBendtrans-107.48-166.8-78.57.6000116I118 L120N116-I118 PolarHBondContact O-N 3.38Å; N116-L120 PolarHBondContact O-N 3.29Å
117K56.7Low59.7Low145 Ų145134.9 Ų134.963%0.6367%0.669SS**Hα-helixtrans-75.3-22.2-175.1-67-175-175.8178.80113.8K121K117-K121 WeakPolarHBondContact O-CB 3.48Å; K117-K121 VanDerWaalsContact O-CD 3.28Å; K117-K121 WeakPolarHBondContact O-CD 3.19Å; K117-K121 WeakPolarHBondContact O-CG 3.46Å; K117-K121 PolarHBondContact O-N 2.93Å
118I58.9Low61.9Low126 Ų126133.6 Ų133.665%0.64666%0.659SS**Hα-helixtrans-77.6-55.1-177.8-62.1168.3000109.2N116 L120 K121 D122N116-I118 PolarHBondContact O-N 3.38Å; I118-L120 PolarHBondContact O-N 3.45Å; I118-K121 WeakPolarHBondContact O-CB 3.01Å; I118-K121 PolarHBondContact O-N 2.84Å; I118-K121 VanDerWaalsContact O-N 3.13Å; I118-D122 PolarHBondContact O-N 3.16Å
119V57.7Low63.8Low96 Ų96128.1 Ų128.158%0.58264%0.636SS**Hα-helixtrans-58.9-43.4180-176.40000112.6K121 D122 V123V119-K121 PolarHBondContact O-N 3.47Å; V119-D122 PolarHBondContact O-N 3.3Å; V119-V123 HydrophobicContact CG1-CG2 4.46Å; V119-V123 VanDerWaalsContact O-CG2 3.29Å; V119-V123 WeakPolarHBondContact O-CG2 3.47Å; V119-V123 PolarHBondContact O-N 2.89Å
120L70.6Confident65.9Low109 Ų109120.8 Ų120.857%0.57162%0.617SS**Hα-helixtrans-66.4-37.7179.2-177.762.9000112.2N116 I118 D122 V123 I124N116-L120 PolarHBondContact O-N 3.29Å; I118-L120 PolarHBondContact O-N 3.45Å; L120-D122 VanDerWaalsContact C-N 3.32Å; L120-V123 PolarHBondContact O-N 2.62Å; L120-I124 HydrophobicContact CD1-CD1 4.03Å; L120-I124 HydrophobicContact CD1-CG1 4.34Å; L120-I124 HydrophobicContact CG-CD1 3.83Å; L120-I124 WeakPolarHBondContact O-CB 3.34Å; L120-I124 WeakPolarHBondContact O-CD1 3.02Å; L120-I124 WeakPolarHBondContact O-CG1 2.8Å; L120-I124 PolarHBondContact O-N 2.81Å
121K69.2Low68Low138 Ų138117.7 Ų117.760%0.659%0.594SS**Hα-helixtrans-63.5-42.2175.9-79.1175.2-176.9-1750110.7K117 I118 V119 I124 T125K117-K121 WeakPolarHBondContact O-CB 3.48Å; K117-K121 VanDerWaalsContact O-CD 3.28Å; K117-K121 WeakPolarHBondContact O-CD 3.19Å; K117-K121 WeakPolarHBondContact O-CG 3.46Å; K117-K121 PolarHBondContact O-N 2.93Å; I118-K121 WeakPolarHBondContact O-CB 3.01Å; I118-K121 PolarHBondContact O-N 2.84Å; I118-K121 VanDerWaalsContact O-N 3.13Å; V119-K121 PolarHBondContact O-N 3.47Å; K121-I124 PolarHBondContact O-N 3.49Å; K121-T125 PolarHBondContact O-N 3.14Å; K121-T125 PolarHBondContact O-OG1 3.08Å
122D72.8Confident69.8Low94 Ų94116.2 Ų116.250%0.50358%0.58SS.*Hα-helixtrans-68.2-37.5-179.6-65.3-25.2000112.5I118 V119 L120 T125 L126I118-D122 PolarHBondContact O-N 3.16Å; V119-D122 PolarHBondContact O-N 3.3Å; L120-D122 VanDerWaalsContact C-N 3.32Å; D122-T125 VanDerWaalsContact CA-OG1 3.27Å; D122-T125 WeakPolarHBondContact CA-OG1 3.5Å; D122-T125 PolarHBondContact O-OG1 3.44Å; D122-L126 WeakPolarHBondContact O-CB 3.41Å; D122-L126 PolarHBondContact O-N 3.16Å
123V72.9Confident71.6Confident87 Ų87117.8 Ų117.853%0.52758%0.575SS.*Hα-helixtrans-66.7-40173.5172.90000111.2V119 L120 R127V119-V123 HydrophobicContact CG1-CG2 4.46Å; V119-V123 VanDerWaalsContact O-CG2 3.29Å; V119-V123 WeakPolarHBondContact O-CG2 3.47Å; V119-V123 PolarHBondContact O-N 2.89Å; L120-V123 PolarHBondContact O-N 2.62Å; V123-R127 VanDerWaalsContact O-CB 3.29Å; V123-R127 WeakPolarHBondContact O-CB 3.38Å; V123-R127 PolarHBondContact O-N 2.95Å
124I78.6Confident73.7Confident72 Ų72112.1 Ų112.137%0.36956%0.557SS.*Hα-helixtrans-69.3-41.7178.6-68.3166.6000111.2L120 K121 R128L120-I124 HydrophobicContact CD1-CD1 4.03Å; L120-I124 HydrophobicContact CD1-CG1 4.34Å; L120-I124 HydrophobicContact CG-CD1 3.83Å; L120-I124 WeakPolarHBondContact O-CB 3.34Å; L120-I124 WeakPolarHBondContact O-CD1 3.02Å; L120-I124 WeakPolarHBondContact O-CG1 2.8Å; L120-I124 PolarHBondContact O-N 2.81Å; K121-I124 PolarHBondContact O-N 3.49Å; I124-R128 WeakPolarHBondContact O-CB 3.46Å; I124-R128 VanDerWaalsContact O-CG 3.3Å; I124-R128 WeakPolarHBondContact O-CG 3.36Å; I124-R128 PolarHBondContact O-N 3.37Å
125T82.3Confident75.4Confident79 Ų79107 Ų10749%0.48554%0.537SS..Hα-helixtrans-66.7-42.3176.244.10000111.2K121 D122 R128 H129K121-T125 PolarHBondContact O-N 3.14Å; K121-T125 PolarHBondContact O-OG1 3.08Å; D122-T125 VanDerWaalsContact CA-OG1 3.27Å; D122-T125 WeakPolarHBondContact CA-OG1 3.5Å; D122-T125 PolarHBondContact O-OG1 3.44Å; T125-R128 PolarHBondContact O-N 3.4Å; T125-H129 WeakPolarHBondContact O-CB 3.31Å; T125-H129 PolarHBondContact O-N 3.27Å
126L80.6Confident77.2Confident109 Ų109107 Ų10757%0.57153%0.532SS*.Hα-helixtrans-61.5-45.7175.5-17464.9000111.5D122 R128 H129 V130D122-L126 WeakPolarHBondContact O-CB 3.41Å; D122-L126 PolarHBondContact O-N 3.16Å; L126-R128 PolarHBondContact O-N 2.85Å; L126-H129 PolarHBondContact O-N 3.39Å; L126-V130 WeakPolarHBondContact O-CG2 3.41Å; L126-V130 PolarHBondContact O-N 3.46Å
127R86.3Confident78.6Confident170 Ų170108.1 Ų108.164%0.64253%0.53SS*.Hα-helixtrans-58.1-47.8175.2-179.1-177.9167.6-167.6-1111.5V123 H129 V130 E131V123-R127 VanDerWaalsContact O-CB 3.29Å; V123-R127 WeakPolarHBondContact O-CB 3.38Å; V123-R127 PolarHBondContact O-N 2.95Å; R127-H129 VanDerWaalsContact C-N 3.32Å; R127-H129 PolarHBondContact O-N 2.86Å; R127-V130 PolarHBondContact O-N 3.35Å; R127-E131 IonicContact CZ-OE1 3.95Å; R127-E131 IonicContact NE-OE1 3.06Å; R127-E131 PolarHBondContact NE-OE1 3.28Å; R127-E131 IonicContact NH2-OE1 3.95Å; R127-E131 PolarHBondContact NH2-OE1 3.45Å; R127-E131 VanDerWaalsContact NH2-OE1 3.09Å; R127-E131 WeakPolarHBondContact O-CB 3.29Å; R127-E131 WeakPolarHBondContact O-CG 3.25Å; R127-E131 PolarHBondContact O-N 2.87Å
128R84.3Confident79.9Confident169 Ų169106.1 Ų106.164%0.63853%0.525SS*.Hα-helixtrans-60.9-41.7177.9-75.5175.9178-175.80.3111.8I124 T125 L126 E131 T132I124-R128 WeakPolarHBondContact O-CB 3.46Å; I124-R128 VanDerWaalsContact O-CG 3.3Å; I124-R128 WeakPolarHBondContact O-CG 3.36Å; I124-R128 PolarHBondContact O-N 3.37Å; T125-R128 PolarHBondContact O-N 3.4Å; L126-R128 PolarHBondContact O-N 2.85Å; R128-E131 PolarHBondContact O-N 2.85Å; R128-T132 WeakPolarHBondContact O-CG2 3.29Å; R128-T132 PolarHBondContact O-N 2.98Å; R128-T132 PolarHBondContact O-OG1 3.49Å
129H84.9Confident81Confident91 Ų91108.9 Ų108.942%0.42153%0.528SS..Hα-helixtrans-66.3-39.3178.4173-103.2000112.8T125 L126 R127 T132 K133T125-H129 WeakPolarHBondContact O-CB 3.31Å; T125-H129 PolarHBondContact O-N 3.27Å; L126-H129 PolarHBondContact O-N 3.39Å; R127-H129 VanDerWaalsContact C-N 3.32Å; R127-H129 PolarHBondContact O-N 2.86Å; H129-T132 PolarHBondContact O-OG1 2.84Å; H129-K133 VanDerWaalsContact CE1-CE 3.4Å; H129-K133 WeakPolarHBondContact CE1-CE 3.31Å; H129-K133 PolarHBondContact CE1-NZ 3.44Å; H129-K133 VanDerWaalsContact NE2-CE 3.26Å; H129-K133 WeakPolarHBondContact NE2-CE 2.95Å; H129-K133 PolarHBondContact O-N 3Å; H129-K133 VanDerWaalsContact O-N 3.1Å
130V87.4Confident82Confident77 Ų77111.8 Ų111.847%0.46753%0.532SS..Hα-helixtrans-67.6-44.1174.3173.80000110.6L126 R127 T132 K133 V134L126-V130 WeakPolarHBondContact O-CG2 3.41Å; L126-V130 PolarHBondContact O-N 3.46Å; R127-V130 PolarHBondContact O-N 3.35Å; V130-T132 VanDerWaalsContact C-N 3.34Å; V130-T132 PolarHBondContact O-N 2.97Å; V130-K133 PolarHBondContact O-N 3.11Å; V130-V134 HydrophobicContact CG1-CG2 4.32Å; V130-V134 WeakPolarHBondContact O-CG2 3.42Å; V130-V134 PolarHBondContact O-N 2.84Å
131E82.9Confident82.2Confident68 Ų68115.7 Ų115.732%0.31854%0.54SS..Hα-helixtrans-60.6-41177.5-76.4-176.7-16900112.2R127 R128 V134 R135R127-E131 IonicContact CZ-OE1 3.95Å; R127-E131 IonicContact NE-OE1 3.06Å; R127-E131 PolarHBondContact NE-OE1 3.28Å; R127-E131 IonicContact NH2-OE1 3.95Å; R127-E131 PolarHBondContact NH2-OE1 3.45Å; R127-E131 VanDerWaalsContact NH2-OE1 3.09Å; R127-E131 WeakPolarHBondContact O-CB 3.29Å; R127-E131 WeakPolarHBondContact O-CG 3.25Å; R127-E131 PolarHBondContact O-N 2.87Å; R128-E131 PolarHBondContact O-N 2.85Å; E131-V134 PolarHBondContact O-N 3.45Å; E131-R135 WeakPolarHBondContact O-CB 3.26Å; E131-R135 WeakPolarHBondContact O-CG 3.43Å; E131-R135 PolarHBondContact O-N 3.39Å
132T89.3Confident82.4Confident83 Ų83116.8 Ų116.851%0.50954%0.544SS..Hα-helixtrans-67.3-41176.3560000112R128 H129 V130 R135 A136R128-T132 WeakPolarHBondContact O-CG2 3.29Å; R128-T132 PolarHBondContact O-N 2.98Å; R128-T132 PolarHBondContact O-OG1 3.49Å; H129-T132 PolarHBondContact O-OG1 2.84Å; V130-T132 VanDerWaalsContact C-N 3.34Å; V130-T132 PolarHBondContact O-N 2.97Å; T132-R135 PolarHBondContact O-N 2.86Å; T132-A136 VanDerWaalsContact O-CB 3.31Å; T132-A136 WeakPolarHBondContact O-CB 3.36Å; T132-A136 PolarHBondContact O-N 3.33Å
133K89.1Confident82.3Confident122 Ų122116.2 Ų116.253%0.5354%0.544SS..Hα-helixtrans-62-43174.5-81-169.1172.8179.60112.4H129 V130 A136 K137H129-K133 VanDerWaalsContact CE1-CE 3.4Å; H129-K133 WeakPolarHBondContact CE1-CE 3.31Å; H129-K133 PolarHBondContact CE1-NZ 3.44Å; H129-K133 VanDerWaalsContact NE2-CE 3.26Å; H129-K133 WeakPolarHBondContact NE2-CE 2.95Å; H129-K133 PolarHBondContact O-N 3Å; H129-K133 VanDerWaalsContact O-N 3.1Å; V130-K133 PolarHBondContact O-N 3.11Å; K133-A136 PolarHBondContact O-N 2.9Å; K133-K137 WeakPolarHBondContact O-CG 3.39Å; K133-K137 PolarHBondContact O-N 2.88Å
134V90.3Very high81.8Confident74 Ų74115.5 Ų115.545%0.44854%0.54SS..Hα-helixtrans-65.1-46176.6171.50000110.4V130 E131 A136 K137 I138V130-V134 HydrophobicContact CG1-CG2 4.32Å; V130-V134 WeakPolarHBondContact O-CG2 3.42Å; V130-V134 PolarHBondContact O-N 2.84Å; E131-V134 PolarHBondContact O-N 3.45Å; V134-A136 VanDerWaalsContact C-N 3.33Å; V134-A136 PolarHBondContact O-N 2.95Å; V134-K137 PolarHBondContact O-N 3.48Å; V134-I138 HydrophobicContact CG1-CD1 3.75Å; V134-I138 HydrophobicContact CG1-CG1 4.37Å; V134-I138 VanDerWaalsContact O-CG1 3.29Å; V134-I138 WeakPolarHBondContact O-CG1 3.3Å; V134-I138 PolarHBondContact O-N 3.42Å
135R84.7Confident81.1Confident152 Ų152116.3 Ų116.357%0.57455%0.548SS*.Hα-helixtrans-60.8-40.9176.1-73.6174.1-174.4-161.14.4112.1E131 T132 I138 R139E131-R135 WeakPolarHBondContact O-CB 3.26Å; E131-R135 WeakPolarHBondContact O-CG 3.43Å; E131-R135 PolarHBondContact O-N 3.39Å; T132-R135 PolarHBondContact O-N 2.86Å; R135-I138 PolarHBondContact O-N 3.12Å; R135-R139 WeakPolarHBondContact O-CB 3.47Å; R135-R139 WeakPolarHBondContact O-CG 3.32Å; R135-R139 PolarHBondContact O-N 3.42Å
136A86.3Confident80Confident49 Ų49119.9 Ų119.941%0.40556%0.557SS.*Hα-helixtrans-64.5-42.4175.900000111.7T132 K133 V134 R139 K140T132-A136 VanDerWaalsContact O-CB 3.31Å; T132-A136 WeakPolarHBondContact O-CB 3.36Å; T132-A136 PolarHBondContact O-N 3.33Å; K133-A136 PolarHBondContact O-N 2.9Å; V134-A136 VanDerWaalsContact C-N 3.33Å; V134-A136 PolarHBondContact O-N 2.95Å; A136-R139 PolarHBondContact O-N 3.09Å; A136-K140 WeakPolarHBondContact O-CB 3.4Å; A136-K140 WeakPolarHBondContact O-CG 3.44Å; A136-K140 PolarHBondContact O-N 3.39Å
137K85Confident79Confident161 Ų161119.8 Ų119.870%0.756%0.556SS**Hα-helixtrans-62.7-43.1173.6-78.2-177.6177.1-176.10112.2K133 V134 K140 R141K133-K137 WeakPolarHBondContact O-CG 3.39Å; K133-K137 PolarHBondContact O-N 2.88Å; V134-K137 PolarHBondContact O-N 3.48Å; K137-K140 PolarHBondContact O-N 3.49Å; K137-R141 VanDerWaalsContact O-CB 3.29Å; K137-R141 WeakPolarHBondContact O-CB 3.41Å; K137-R141 PolarHBondContact O-N 3.17Å
138I84.3Confident77.5Confident102 Ų102117 Ų11752%0.52355%0.554SS.*Hα-helixtrans-63.1-45.2176.2-68.2167.5000110.6V134 R135 R141 K142V134-I138 HydrophobicContact CG1-CD1 3.75Å; V134-I138 HydrophobicContact CG1-CG1 4.37Å; V134-I138 VanDerWaalsContact O-CG1 3.29Å; V134-I138 WeakPolarHBondContact O-CG1 3.3Å; V134-I138 PolarHBondContact O-N 3.42Å; R135-I138 PolarHBondContact O-N 3.12Å; I138-R141 PolarHBondContact O-N 2.94Å; I138-K142 VanDerWaalsContact O-CB 3.31Å; I138-K142 WeakPolarHBondContact O-CB 3.4Å; I138-K142 PolarHBondContact O-N 3.18Å
139R81.9Confident76.2Confident185 Ų185116.6 Ų116.670%0.69856%0.559SS**Hα-helixtrans-61.9-47.7176.2-75.6178.6-179.7179.8-1.1111.5R135 A136 R141 K142 V143R135-R139 WeakPolarHBondContact O-CB 3.47Å; R135-R139 WeakPolarHBondContact O-CG 3.32Å; R135-R139 PolarHBondContact O-N 3.42Å; A136-R139 PolarHBondContact O-N 3.09Å; R139-R141 PolarHBondContact O-N 3.49Å; R139-K142 PolarHBondContact O-N 3.46Å; R139-V143 WeakPolarHBondContact O-CB 3.29Å; R139-V143 VanDerWaalsContact O-CG2 3.26Å; R139-V143 WeakPolarHBondContact O-CG2 3.15Å; R139-V143 PolarHBondContact O-N 3.42Å
140K78.4Confident74.8Confident156 Ų156119.6 Ų119.668%0.67857%0.573SS**Hα-helixtrans-57.5-48.2175.2-76-174178.5-1690111.2A136 K137 K142 V143 T144A136-K140 WeakPolarHBondContact O-CB 3.4Å; A136-K140 WeakPolarHBondContact O-CG 3.44Å; A136-K140 PolarHBondContact O-N 3.39Å; K137-K140 PolarHBondContact O-N 3.49Å; K140-K142 PolarHBondContact O-N 3.12Å; K140-V143 PolarHBondContact O-N 3.07Å; K140-T144 WeakPolarHBondContact O-CG2 3.3Å; K140-T144 PolarHBondContact O-N 3.42Å; K140-T144 PolarHBondContact O-OG1 3.43Å; K140-T144 VanDerWaalsContact O-OG1 3.11Å
141R75.3Confident73.2Confident192 Ų192121.4 Ų121.473%0.72558%0.58SS**Hα-helixtrans-61.3-42.7177.5-167.4177.6-176.1-160.31.5112.3K137 I138 R139 T144 T145K137-R141 VanDerWaalsContact O-CB 3.29Å; K137-R141 WeakPolarHBondContact O-CB 3.41Å; K137-R141 PolarHBondContact O-N 3.17Å; I138-R141 PolarHBondContact O-N 2.94Å; R139-R141 PolarHBondContact O-N 3.49Å; R141-T144 VanDerWaalsContact CA-OG1 3.32Å; R141-T144 WeakPolarHBondContact CA-OG1 3.35Å; R141-T144 PolarHBondContact O-N 2.87Å; R141-T144 PolarHBondContact O-OG1 3.37Å; R141-T145 WeakPolarHBondContact O-CB 3.36Å; R141-T145 PolarHBondContact O-N 2.57Å; R141-T145 PolarHBondContact O-OG1 2.8Å
142K73.7Confident71.8Confident161 Ų161127.8 Ų127.870%0.761%0.607SS**Hα-helixtrans-65.8-40.3177.6-169.4176.2-176.9179.20111.7I138 R139 K140 T145 K146I138-K142 VanDerWaalsContact O-CB 3.31Å; I138-K142 WeakPolarHBondContact O-CB 3.4Å; I138-K142 PolarHBondContact O-N 3.18Å; R139-K142 PolarHBondContact O-N 3.46Å; K140-K142 PolarHBondContact O-N 3.12Å; K142-T145 PolarHBondContact O-N 3.47Å; K142-K146 WeakPolarHBondContact O-CB 3.3Å; K142-K146 PolarHBondContact O-N 3.39Å
143V70.8Confident70.4Confident82 Ų82128.2 Ų128.250%0.49761%0.605SS.*Hα-helixtrans-65.2-47174.9170.10000110.5R139 K140 T145 K146 I147R139-V143 WeakPolarHBondContact O-CB 3.29Å; R139-V143 VanDerWaalsContact O-CG2 3.26Å; R139-V143 WeakPolarHBondContact O-CG2 3.15Å; R139-V143 PolarHBondContact O-N 3.42Å; K140-V143 PolarHBondContact O-N 3.07Å; V143-T145 VanDerWaalsContact C-N 3.34Å; V143-T145 PolarHBondContact O-N 2.96Å; V143-K146 PolarHBondContact O-N 3.49Å; V143-K146 VanDerWaalsContact O-N 3.12Å; V143-I147 HydrophobicContact CG1-CD1 3.69Å; V143-I147 HydrophobicContact CG1-CG1 4.36Å; V143-I147 VanDerWaalsContact O-CG1 3.29Å; V143-I147 WeakPolarHBondContact O-CG1 3.33Å; V143-I147 PolarHBondContact O-N 2.84Å
144T61.3Low68.9Low71 Ų71128.9 Ų128.944%0.43661%0.614SS.*Hα-helixtrans-64.1-37.3176.754.50000112.4K140 R141 K146 I147 N148K140-T144 WeakPolarHBondContact O-CG2 3.3Å; K140-T144 PolarHBondContact O-N 3.42Å; K140-T144 PolarHBondContact O-OG1 3.43Å; K140-T144 VanDerWaalsContact O-OG1 3.11Å; R141-T144 VanDerWaalsContact CA-OG1 3.32Å; R141-T144 WeakPolarHBondContact CA-OG1 3.35Å; R141-T144 PolarHBondContact O-N 2.87Å; R141-T144 PolarHBondContact O-OG1 3.37Å; T144-K146 VanDerWaalsContact C-N 3.31Å; T144-K146 PolarHBondContact O-N 3.43Å; T144-I147 PolarHBondContact O-N 2.69Å; T144-N148 WeakPolarHBondContact O-CB 3.31Å; T144-N148 VanDerWaalsContact O-CG 3.28Å; T144-N148 PolarHBondContact O-N 2.98Å; T144-N148 PolarHBondContact O-ND2 2.93Å
145T64.6Low67.1Low89 Ų89128 Ų12855%0.54662%0.62SS.*Hα-helixtrans-65.5-35.8173.9-60.20000111.7R141 K142 V143 H149R141-T145 WeakPolarHBondContact O-CB 3.36Å; R141-T145 PolarHBondContact O-N 2.57Å; R141-T145 PolarHBondContact O-OG1 2.8Å; K142-T145 PolarHBondContact O-N 3.47Å; V143-T145 VanDerWaalsContact C-N 3.34Å; V143-T145 PolarHBondContact O-N 2.96Å; T145-H149 PolarHBondContact O-N 3.22Å
146K58.5Low65.7Low154 Ų154129.5 Ų129.567%0.6763%0.631SS**Hα-helixtrans-72.3-38.6176.8-162.1-179.2-179.5-171.70111.9K142 V143 T144 H149K142-K146 WeakPolarHBondContact O-CB 3.3Å; K142-K146 PolarHBondContact O-N 3.39Å; V143-K146 PolarHBondContact O-N 3.49Å; V143-K146 VanDerWaalsContact O-N 3.12Å; T144-K146 VanDerWaalsContact C-N 3.31Å; T144-K146 PolarHBondContact O-N 3.43Å; K146-H149 PolarHBondContact O-N 3.21Å; K146-H149 VanDerWaalsContact O-N 3.17Å
147I58.8Low64.2Low108 Ų108137.4 Ų137.455%0.55465%0.65SS**Hα-helixtrans-63-43.4173.9-67.2166.6000110V143 T144 H149 H150V143-I147 HydrophobicContact CG1-CD1 3.69Å; V143-I147 HydrophobicContact CG1-CG1 4.36Å; V143-I147 VanDerWaalsContact O-CG1 3.29Å; V143-I147 WeakPolarHBondContact O-CG1 3.33Å; V143-I147 PolarHBondContact O-N 2.84Å; T144-I147 PolarHBondContact O-N 2.69Å; I147-H149 PolarHBondContact O-N 3.27Å; I147-H149 VanDerWaalsContact O-N 3.12Å; I147-H150 PolarHBondContact O-N 2.76Å; I147-H150 VanDerWaalsContact O-N 3.07Å
148N56.2Low62.8Low111 Ų111135.2 Ų135.259%0.59464%0.641SS**THydrogen-bonded Turntrans-68.8-6.3175.5-72.1-15.8000114.7T144T144-N148 WeakPolarHBondContact O-CB 3.31Å; T144-N148 VanDerWaalsContact O-CG 3.28Å; T144-N148 PolarHBondContact O-N 2.98Å; T144-N148 PolarHBondContact O-ND2 2.93Å
149H56.8Low61.7Low160 Ų160133 Ų13374%0.74163%0.634SS**THydrogen-bonded Turntrans-93-13.4173.1-161.2-54.2000112T145 K146 I147T145-H149 PolarHBondContact O-N 3.22Å; K146-H149 PolarHBondContact O-N 3.21Å; K146-H149 VanDerWaalsContact O-N 3.17Å; I147-H149 PolarHBondContact O-N 3.27Å; I147-H149 VanDerWaalsContact O-N 3.12Å
150H54.5Low61.1Low154 Ų154126.2 Ų126.271%0.71362%0.618SS**SBendtrans-90.2-7.3179.3-95.9-75.8000114.7I147 K152I147-H150 PolarHBondContact O-N 2.76Å; I147-H150 VanDerWaalsContact O-N 3.07Å; H150-K152 PolarHBondContact O-N 3.12Å
151D54.8Low60.8Low115 Ų115127.5 Ų127.562%0.61562%0.618SS**SBendtrans-67.1104.5162.5-74.8-18.2000107.8I153D151-I153 PolarHBondContact O-N 3.13Å
152K54.4Low60.8Low203 Ų203125.4 Ų125.488%0.88361%0.614SS**  trans-55.788.9167.4-83.9175.6172.21760107.7H150 N154H150-K152 PolarHBondContact O-N 3.12Å; K152-N154 PolarHBondContact O-N 3.34Å
153I58.9Low60.9Low91 Ų91123.8 Ų123.847%0.46761%0.609SS.*  trans-68.393.7171.5-62.5164000105.6D151 G155 K158D151-I153 PolarHBondContact O-N 3.13Å; I153-G155 PolarHBondContact O-N 3.13Å; I153-K158 HydrophobicContact CB-CD 4.44Å; I153-K158 HydrophobicContact CG2-CD 3.68Å; I153-K158 VanDerWaalsContact CG2-CE 3.49Å; I153-K158 HydrophobicContact CG2-CG 3.75Å
154N57.3Low61.6Low137 Ų137126.7 Ų126.773%0.73362%0.615SS**  trans-39.1112.5173.3-103.4-23.2000109K152 K156 R157K152-N154 PolarHBondContact O-N 3.34Å; N154-K156 PolarHBondContact O-N 3.06Å; N154-R157 PolarHBondContact O-N 2.93Å; N154-R157 VanDerWaalsContact O-N 3.13Å
155G53.5Low62.9Low56 Ų56128.1 Ų128.158%0.57762%0.618SS**Hα-helixtrans-55.5-18.2-16800000114.6I153 S159I153-G155 PolarHBondContact O-N 3.13Å; G155-S159 PolarHBondContact O-N 3.03Å; G155-S159 PolarHBondContact O-OG 2.98Å
156K55.1Low63.8Low182 Ų182130.2 Ų130.279%0.79162%0.62SS**Hα-helixtrans-67.1-32.6178.6-64.6-173.3178.5-177.10114.6N154 S159 A160N154-K156 PolarHBondContact O-N 3.06Å; K156-S159 PolarHBondContact O-OG 3.41Å; K156-A160 PolarHBondContact O-N 3.22Å
157R54.6Low65.2Low215 Ų215128.8 Ų128.881%0.81162%0.616SS**Hα-helixtrans-81.5-30.8-177.3-154.7174.9-171166.62.6112.7N154 R161N154-R157 PolarHBondContact O-N 2.93Å; N154-R157 VanDerWaalsContact O-N 3.13Å; R157-R161 PolarHBondContact O-N 2.86Å
158K55.5Low66.7Low116 Ų116132.7 Ų132.750%0.50462%0.624SS.*Hα-helixtrans-72.6-38.1175.5-79.9-178.4171.8171.40111.9I153 K162I153-K158 HydrophobicContact CB-CD 4.44Å; I153-K158 HydrophobicContact CG2-CD 3.68Å; I153-K158 VanDerWaalsContact CG2-CE 3.49Å; I153-K158 HydrophobicContact CG2-CG 3.75Å; K158-K162 WeakPolarHBondContact O-CB 3.44Å; K158-K162 WeakPolarHBondContact O-CG 3.5Å; K158-K162 PolarHBondContact O-N 2.8Å
159S61.1Low68.3Low56 Ų56130.1 Ų130.139%0.39262%0.618SS.*Hα-helixtrans-66.3-45.5175.757.10000111.8G155 K156 R161 K162 Q163G155-S159 PolarHBondContact O-N 3.03Å; G155-S159 PolarHBondContact O-OG 2.98Å; K156-S159 PolarHBondContact O-OG 3.41Å; S159-R161 PolarHBondContact O-N 2.8Å; S159-K162 PolarHBondContact O-N 2.95Å; S159-Q163 WeakPolarHBondContact O-CB 3.39Å; S159-Q163 WeakPolarHBondContact O-CG 3.5Å; S159-Q163 PolarHBondContact O-N 2.75Å
160A68.6Low69.8Low42 Ų42126.9 Ų126.935%0.34760%0.603SS.*Hα-helixtrans-62.2-41.4177.900000112.8K156 K164K156-A160 PolarHBondContact O-N 3.22Å; A160-K164 WeakPolarHBondContact O-CG 3.34Å; A160-K164 PolarHBondContact O-N 2.96Å
161R73.4Confident71.6Confident182 Ų182123.3 Ų123.369%0.68759%0.586SS**Hα-helixtrans-68-39.8176.3-168178.1177.3176.3-0.1111.9R157 S159 K164 M165R157-R161 PolarHBondContact O-N 2.86Å; S159-R161 PolarHBondContact O-N 2.8Å; R161-K164 PolarHBondContact O-N 2.92Å; R161-M165 HydrophobicContact CG-CE 4.23Å; R161-M165 WeakPolarHBondContact O-CG 3.21Å; R161-M165 PolarHBondContact O-N 3.34Å
162K75.2Confident73.3Confident148 Ų148123.3 Ų123.364%0.64359%0.586SS**Hα-helixtrans-64.8-43.7175-80.1-176.5174.2-171.20112K158 S159 M165 F166K158-K162 WeakPolarHBondContact O-CB 3.44Å; K158-K162 WeakPolarHBondContact O-CG 3.5Å; K158-K162 PolarHBondContact O-N 2.8Å; S159-K162 PolarHBondContact O-N 2.95Å; K162-M165 HydrophobicContact CG-CE 4.3Å; K162-M165 PolarHBondContact O-N 3.29Å; K162-F166 WeakPolarHBondContact O-CB 3.22Å; K162-F166 PolarHBondContact O-N 3.13Å
163Q75.5Confident74.7Confident127 Ų127122 Ų12259%0.59358%0.575SS**Hα-helixtrans-61-44175.1-78.2175.8-19.400111.7S159 M165 F166 Q167S159-Q163 WeakPolarHBondContact O-CB 3.39Å; S159-Q163 WeakPolarHBondContact O-CG 3.5Å; S159-Q163 PolarHBondContact O-N 2.75Å; Q163-M165 VanDerWaalsContact C-N 3.34Å; Q163-M165 PolarHBondContact O-N 3.1Å; Q163-F166 PolarHBondContact O-N 2.89Å; Q163-Q167 WeakPolarHBondContact O-CB 3.33Å; Q163-Q167 WeakPolarHBondContact O-CG 3.36Å; Q163-Q167 PolarHBondContact O-N 3.19Å
164K85.9Confident76Confident143 Ų143125 Ų12562%0.62258%0.581SS**Hα-helixtrans-62.1-38.5174.7-75.2-177.1-179.9-172.10113A160 R161 R168A160-K164 WeakPolarHBondContact O-CG 3.34Å; A160-K164 PolarHBondContact O-N 2.96Å; R161-K164 PolarHBondContact O-N 2.92Å; K164-R168 WeakPolarHBondContact O-CB 3.4Å; K164-R168 WeakPolarHBondContact O-CG 3.36Å; K164-R168 PolarHBondContact O-N 3.23Å
165M87.3Confident77.3Confident102 Ų102125.7 Ų125.750%0.50257%0.573SS.*Hα-helixtrans-68.6-39.1175.2-73.3-174.6-63.700111.9R161 K162 Q163 R168 A169R161-M165 HydrophobicContact CG-CE 4.23Å; R161-M165 WeakPolarHBondContact O-CG 3.21Å; R161-M165 PolarHBondContact O-N 3.34Å; K162-M165 HydrophobicContact CG-CE 4.3Å; K162-M165 PolarHBondContact O-N 3.29Å; Q163-M165 VanDerWaalsContact C-N 3.34Å; Q163-M165 PolarHBondContact O-N 3.1Å; M165-R168 PolarHBondContact O-N 3.29Å; M165-A169 WeakPolarHBondContact O-CB 3.29Å; M165-A169 PolarHBondContact O-N 2.77Å
166F84.5Confident78.6Confident132 Ų132125.9 Ų125.958%0.57957%0.569SS**Hα-helixtrans-65.5-44.1176.4-171-103.2000112K162 Q163 R168 A169 Q170K162-F166 WeakPolarHBondContact O-CB 3.22Å; K162-F166 PolarHBondContact O-N 3.13Å; Q163-F166 PolarHBondContact O-N 2.89Å; F166-R168 PolarHBondContact O-N 2.83Å; F166-A169 PolarHBondContact O-N 3.41Å; F166-Q170 HydrophobicContact CD1-CG 4.46Å; F166-Q170 HydrophobicContact CE1-CG 4.23Å; F166-Q170 WeakPolarHBondContact O-CG 3.42Å; F166-Q170 PolarHBondContact O-N 2.97Å
167Q87.4Confident79.7Confident124 Ų124121.1 Ų121.158%0.57955%0.55SS*.Hα-helixtrans-60.1-44.2173.2-74.7175.4-14.100111.8Q163 A169 Q170 E171Q163-Q167 WeakPolarHBondContact O-CB 3.33Å; Q163-Q167 WeakPolarHBondContact O-CG 3.36Å; Q163-Q167 PolarHBondContact O-N 3.19Å; Q167-A169 VanDerWaalsContact C-N 3.35Å; Q167-A169 PolarHBondContact O-N 2.96Å; Q167-Q170 PolarHBondContact O-N 3.43Å; Q167-E171 WeakPolarHBondContact O-CB 3.47Å; Q167-E171 PolarHBondContact O-N 3.46Å
168R90.3Very high81Confident191 Ų191114.6 Ų114.672%0.72153%0.531SS*.Hα-helixtrans-63.1-38.5175.3-79.1-177.4179.7-169.5-1.1113K164 M165 F166 E171 L172K164-R168 WeakPolarHBondContact O-CB 3.4Å; K164-R168 WeakPolarHBondContact O-CG 3.36Å; K164-R168 PolarHBondContact O-N 3.23Å; M165-R168 PolarHBondContact O-N 3.29Å; F166-R168 PolarHBondContact O-N 2.83Å; R168-E171 PolarHBondContact O-N 3.21Å; R168-L172 WeakPolarHBondContact O-CG 3.26Å; R168-L172 PolarHBondContact O-N 3.42Å
169A88.9Confident81.8Confident57 Ų57115.8 Ų115.847%0.47153%0.533SS..Hα-helixtrans-66.4-39.8176.200000111.7M165 F166 Q167 R173M165-A169 WeakPolarHBondContact O-CB 3.29Å; M165-A169 PolarHBondContact O-N 2.77Å; F166-A169 PolarHBondContact O-N 3.41Å; Q167-A169 VanDerWaalsContact C-N 3.35Å; Q167-A169 PolarHBondContact O-N 2.96Å; A169-R173 WeakPolarHBondContact O-CB 3.39Å; A169-R173 PolarHBondContact O-N 3.48Å
170Q89.9Confident82.2Confident91 Ų91118.4 Ų118.443%0.42554%0.539SS..Hα-helixtrans-65.2-40.9173.9-74.3-174.8-27.700112.3F166 Q167 R173 R174F166-Q170 HydrophobicContact CD1-CG 4.46Å; F166-Q170 HydrophobicContact CE1-CG 4.23Å; F166-Q170 WeakPolarHBondContact O-CG 3.42Å; F166-Q170 PolarHBondContact O-N 2.97Å; Q167-Q170 PolarHBondContact O-N 3.43Å; Q170-R173 WeakPolarHBondContact O-CB 3.04Å; Q170-R173 PolarHBondContact O-N 2.87Å; Q170-R174 WeakPolarHBondContact O-CG 3.46Å; Q170-R174 PolarHBondContact O-N 2.89Å
171E90.7Very high82.1Confident79 Ų79121 Ų12137%0.36954%0.543SS..Hα-helixtrans-62.8-44.9176-179.264.1-166.100111.8Q167 R168 R173 R174 R175Q167-E171 WeakPolarHBondContact O-CB 3.47Å; Q167-E171 PolarHBondContact O-N 3.46Å; R168-E171 PolarHBondContact O-N 3.21Å; E171-R173 VanDerWaalsContact C-N 3.3Å; E171-R173 PolarHBondContact O-N 3.24Å; E171-R174 PolarHBondContact O-N 2.92Å; E171-R175 WeakPolarHBondContact O-CG 3.44Å; E171-R175 PolarHBondContact O-N 3.43Å; E171-R175 IonicContact OE1-CZ 3.77Å; E171-R175 IonicContact OE1-NE 3.59Å; E171-R175 PolarHBondContact OE1-NE 3Å; E171-R175 IonicContact OE1-NH2 3.82Å; E171-R175 PolarHBondContact OE1-NH2 2.84Å
172L90.3Very high81.9Confident116 Ų116117.8 Ų117.861%0.60755%0.547SS*.Hα-helixtrans-61.7-39.2174.9-74.9171.5000112R168 R175 A176R168-L172 WeakPolarHBondContact O-CG 3.26Å; R168-L172 PolarHBondContact O-N 3.42Å; L172-R175 PolarHBondContact O-N 3.38Å; L172-A176 WeakPolarHBondContact O-CB 3.15Å; L172-A176 PolarHBondContact O-N 3.02Å
173R85.3Confident81.7Confident174 Ų174117.3 Ų117.366%0.65755%0.545SS*.Hα-helixtrans-63.1-45.7175.5-176.8178.3173.3164.73.3111.7A169 Q170 E171 R175 A176 E177A169-R173 WeakPolarHBondContact O-CB 3.39Å; A169-R173 PolarHBondContact O-N 3.48Å; Q170-R173 WeakPolarHBondContact O-CB 3.04Å; Q170-R173 PolarHBondContact O-N 2.87Å; E171-R173 VanDerWaalsContact C-N 3.3Å; E171-R173 PolarHBondContact O-N 3.24Å; R173-R175 VanDerWaalsContact C-N 3.35Å; R173-R175 PolarHBondContact O-N 3.24Å; R173-A176 PolarHBondContact O-N 3.25Å; R173-E177 WeakPolarHBondContact CG-OE1 3.46Å; R173-E177 IonicContact CZ-OE1 3.37Å; R173-E177 IonicContact NE-OE1 3.04Å; R173-E177 PolarHBondContact NE-OE1 3.36Å; R173-E177 IonicContact NH2-OE1 2.87Å; R173-E177 WeakPolarHBondContact O-CG 3.34Å; R173-E177 PolarHBondContact O-N 3.24Å
174R85.7Confident81.2Confident156 Ų156112.9 Ų112.959%0.58952%0.524SS*.Hα-helixtrans-60-44.3175.8-73.7179.3178.6177.9-1.7111.6Q170 E171 A176 E177 D178Q170-R174 WeakPolarHBondContact O-CG 3.46Å; Q170-R174 PolarHBondContact O-N 2.89Å; E171-R174 PolarHBondContact O-N 2.92Å; R174-A176 VanDerWaalsContact C-N 3.34Å; R174-A176 PolarHBondContact O-N 3.43Å; R174-E177 PolarHBondContact O-N 3.33Å; R174-D178 WeakPolarHBondContact O-CB 3.49Å; R174-D178 VanDerWaalsContact O-CG 3.3Å; R174-D178 PolarHBondContact O-N 3.46Å
175R84.9Confident80.5Confident151 Ų151109.4 Ų109.457%0.5752%0.517SS*.Hα-helixtrans-62.9-38.3176-71179.9-166.9178.30.7113.3E171 L172 R173 D178 Y179E171-R175 WeakPolarHBondContact O-CG 3.44Å; E171-R175 PolarHBondContact O-N 3.43Å; E171-R175 IonicContact OE1-CZ 3.77Å; E171-R175 IonicContact OE1-NE 3.59Å; E171-R175 PolarHBondContact OE1-NE 3Å; E171-R175 IonicContact OE1-NH2 3.82Å; E171-R175 PolarHBondContact OE1-NH2 2.84Å; L172-R175 PolarHBondContact O-N 3.38Å; R173-R175 VanDerWaalsContact C-N 3.35Å; R173-R175 PolarHBondContact O-N 3.24Å; R175-D178 PolarHBondContact O-N 3.02Å; R175-Y179 VanDerWaalsContact O-CB 3.25Å; R175-Y179 WeakPolarHBondContact O-CB 3.44Å; R175-Y179 PolarHBondContact O-N 3.47Å
176A80.9Confident79.6Confident59 Ų59109.4 Ų109.449%0.48852%0.524SS..Hα-helixtrans-66.9-41.6175.700000111.6L172 R173 R174 Y179 H180L172-A176 WeakPolarHBondContact O-CB 3.15Å; L172-A176 PolarHBondContact O-N 3.02Å; R173-A176 PolarHBondContact O-N 3.25Å; R174-A176 VanDerWaalsContact C-N 3.34Å; R174-A176 PolarHBondContact O-N 3.43Å; A176-Y179 PolarHBondContact O-N 3.36Å; A176-H180 WeakPolarHBondContact O-CB 3.45Å; A176-H180 PolarHBondContact O-N 2.99Å
177E78.8Confident78.7Confident83 Ų83107.6 Ų107.639%0.38853%0.528SS..Hα-helixtrans-63.5-41.8174.9-72.5172.8-165.600111.3R173 R174 H180 K181R173-E177 WeakPolarHBondContact CG-OE1 3.46Å; R173-E177 IonicContact CZ-OE1 3.37Å; R173-E177 IonicContact NE-OE1 3.04Å; R173-E177 PolarHBondContact NE-OE1 3.36Å; R173-E177 IonicContact NH2-OE1 2.87Å; R173-E177 WeakPolarHBondContact O-CG 3.34Å; R173-E177 PolarHBondContact O-N 3.24Å; R174-E177 PolarHBondContact O-N 3.33Å; E177-H180 PolarHBondContact O-N 3.42Å; E177-K181 VanDerWaalsContact O-CG 3.29Å; E177-K181 WeakPolarHBondContact O-CG 3.39Å; E177-K181 PolarHBondContact O-N 2.94Å
178D81.3Confident77.7Confident78 Ų78103.5 Ų103.542%0.41752%0.515SS..Hα-helixtrans-70.9-37.8177.9-68.3-22.2000112.2R174 R175 H180 K181 C182R174-D178 WeakPolarHBondContact O-CB 3.49Å; R174-D178 VanDerWaalsContact O-CG 3.3Å; R174-D178 PolarHBondContact O-N 3.46Å; R175-D178 PolarHBondContact O-N 3.02Å; D178-H180 VanDerWaalsContact C-N 3.33Å; D178-H180 PolarHBondContact O-N 3.24Å; D178-K181 WeakPolarHBondContact O-CB 3.42Å; D178-K181 PolarHBondContact O-N 3.28Å; D178-K181 IonicContact OD1-NZ 3.19Å; D178-K181 PolarHBondContact OD1-NZ 2.98Å; D178-C182 WeakPolarHBondContact O-CB 3.44Å; D178-C182 PolarHBondContact O-N 2.95Å; D178-C182 PolarHBondContact O-SG 2.89Å
179Y71.7Confident76.5Confident141 Ų14198.7 Ų98.755%0.55350%0.497SS*.Hα-helixtrans-60.1-42.3170.9-177.2-99.1000112.1R175 A176 K181 C182 K183R175-Y179 VanDerWaalsContact O-CB 3.25Å; R175-Y179 WeakPolarHBondContact O-CB 3.44Å; R175-Y179 PolarHBondContact O-N 3.47Å; A176-Y179 PolarHBondContact O-N 3.36Å; Y179-K181 VanDerWaalsContact C-N 3.35Å; Y179-C182 PolarHBondContact O-N 3.06Å; Y179-K183 HydrophobicContact CD1-CD 4.31Å; Y179-K183 HydrophobicContact CE1-CD 3.6Å; Y179-K183 HydrophobicContact CE1-CG 4.34Å; Y179-K183 HydrophobicContact CE2-CD 4.44Å; Y179-K183 WeakPolarHBondContact O-CB 3.44Å; Y179-K183 PolarHBondContact O-N 3.38Å; Y179-K183 WeakPolarHBondContact OH-CE 3.39Å; Y179-K183 PolarHBondContact OH-NZ 3.3Å
180H69.4Low75.6Confident110 Ų110103.1 Ų103.151%0.50951%0.506SS..Hα-helixtrans-65.7-38.1175.4-171.672.5000111.9A176 E177 D178 I184A176-H180 WeakPolarHBondContact O-CB 3.45Å; A176-H180 PolarHBondContact O-N 2.99Å; E177-H180 PolarHBondContact O-N 3.42Å; D178-H180 VanDerWaalsContact C-N 3.33Å; D178-H180 PolarHBondContact O-N 3.24Å; H180-I184 WeakPolarHBondContact CE1-CD1 3.48Å; H180-I184 WeakPolarHBondContact NE2-CD1 3.46Å; H180-I184 PolarHBondContact O-N 2.98Å
181K66.8Low74.5Confident98 Ų98101.7 Ų101.743%0.42651%0.509SS..Hα-helixtrans-63.5-46.2172.3-71.9171.5-166.3161.70111.3E177 D178 Y179 K183 I184 R189E177-K181 VanDerWaalsContact O-CG 3.29Å; E177-K181 WeakPolarHBondContact O-CG 3.39Å; E177-K181 PolarHBondContact O-N 2.94Å; D178-K181 WeakPolarHBondContact O-CB 3.42Å; D178-K181 PolarHBondContact O-N 3.28Å; D178-K181 IonicContact OD1-NZ 3.19Å; D178-K181 PolarHBondContact OD1-NZ 2.98Å; Y179-K181 VanDerWaalsContact C-N 3.35Å; K181-K183 VanDerWaalsContact C-N 3.31Å; K181-K183 PolarHBondContact O-N 2.93Å; K181-I184 PolarHBondContact O-N 2.88Å; K181-I184 VanDerWaalsContact O-O 3.09Å; K181-R189 VanDerWaalsContact CB-NH2 3.32Å; K181-R189 PolarHBondContact O-NH2 3.03Å
182C68.5Low73.4Confident114 Ų114102.4 Ų102.477%0.7752%0.515SS*.Hα-helixtrans-68.3-29.1-178.7-67.70000113.2D178 Y179D178-C182 WeakPolarHBondContact O-CB 3.44Å; D178-C182 PolarHBondContact O-N 2.95Å; D178-C182 PolarHBondContact O-SG 2.89Å; Y179-C182 PolarHBondContact O-N 3.06Å
183K70.6Confident72.3Confident138 Ų138100.6 Ų100.660%0.651%0.512SS*.Hα-helixtrans-82.4-25178.4-84.7-162.3163.4-175.30115Y179 K181Y179-K183 HydrophobicContact CD1-CD 4.31Å; Y179-K183 HydrophobicContact CE1-CD 3.6Å; Y179-K183 HydrophobicContact CE1-CG 4.34Å; Y179-K183 HydrophobicContact CE2-CD 4.44Å; Y179-K183 WeakPolarHBondContact O-CB 3.44Å; Y179-K183 PolarHBondContact O-N 3.38Å; Y179-K183 WeakPolarHBondContact OH-CE 3.39Å; Y179-K183 PolarHBondContact OH-NZ 3.3Å; K181-K183 VanDerWaalsContact C-N 3.31Å; K181-K183 PolarHBondContact O-N 2.93Å
184I66.6Low71.7Confident33 Ų3396.4 Ų96.417%0.16950%0.502CS..SBendtrans-107.8113.3-178.1-53.7-174000109.7H180 K181 A188 R189H180-I184 WeakPolarHBondContact CE1-CD1 3.48Å; H180-I184 WeakPolarHBondContact NE2-CD1 3.46Å; H180-I184 PolarHBondContact O-N 2.98Å; K181-I184 PolarHBondContact O-N 2.88Å; K181-I184 VanDerWaalsContact O-O 3.09Å; I184-A188 HydrophobicContact CG2-CB 3.74Å; I184-R189 HydrophobicContact CB-CG 4.01Å; I184-R189 HydrophobicContact CG2-CB 4.48Å; I184-R189 HydrophobicContact CG2-CG 3.49Å; I184-R189 VanDerWaalsContact CG2-CG 3.49Å; I184-R189 PolarHBondContact O-NE 3.36Å; I184-R189 VanDerWaalsContact O-NE 3.08Å; I184-R189 PolarHBondContact O-NH2 2.86Å
185P71.5Confident71Confident71 Ų7197.4 Ų97.446%0.46151%0.506SS..  trans-59.5146.3177.321.2-28.7000110.4S187 A188 R189P185-S187 PolarHBondContact O-N 2.84Å; P185-A188 HydrophobicContact CG-CB 3.88Å; P185-A188 PolarHBondContact O-N 2.84Å; P185-R189 PolarHBondContact O-N 3.34Å
186P67.1Low70.4Confident102 Ų10294 Ų9466%0.66250%0.502SS*.Hα-helixtrans-52.6-34.2-175-27.834.4000114.1R189 K190P186-R189 PolarHBondContact O-N 3.19Å; P186-K190 PolarHBondContact O-N 3.41Å
187S65.9Low69.8Low94 Ų94100.4 Ų100.466%0.65751%0.513SS*.Hα-helixtrans-63.9-43.4175.853.10000113.1P185 R189 K190 A191P185-S187 PolarHBondContact O-N 2.84Å; S187-R189 VanDerWaalsContact C-N 3.33Å; S187-R189 PolarHBondContact O-N 2.96Å; S187-K190 PolarHBondContact O-N 3.42Å; S187-A191 PolarHBondContact O-N 3.15Å
188A65.7Low69.2Low38 Ų38102.4 Ų102.431%0.31452%0.524SS..Hα-helixtrans-70.3-28.117900000112.5I184 P185 A191 L192I184-A188 HydrophobicContact CG2-CB 3.74Å; P185-A188 HydrophobicContact CG-CB 3.88Å; P185-A188 PolarHBondContact O-N 2.84Å; A188-A191 PolarHBondContact O-N 2.92Å; A188-L192 WeakPolarHBondContact O-CB 3.46Å; A188-L192 PolarHBondContact O-N 2.87Å
189R66.9Low68.3Low89 Ų89100.4 Ų100.434%0.33652%0.519SS..Hα-helixtrans-65-39.1173.5-60.6-170.7-157.6158.512112.1K181 I184 P185 P186 S187 L192 C193K181-R189 VanDerWaalsContact CB-NH2 3.32Å; K181-R189 PolarHBondContact O-NH2 3.03Å; I184-R189 HydrophobicContact CB-CG 4.01Å; I184-R189 HydrophobicContact CG2-CB 4.48Å; I184-R189 HydrophobicContact CG2-CG 3.49Å; I184-R189 VanDerWaalsContact CG2-CG 3.49Å; I184-R189 PolarHBondContact O-NE 3.36Å; I184-R189 VanDerWaalsContact O-NE 3.08Å; I184-R189 PolarHBondContact O-NH2 2.86Å; P185-R189 PolarHBondContact O-N 3.34Å; P186-R189 PolarHBondContact O-N 3.19Å; S187-R189 VanDerWaalsContact C-N 3.33Å; S187-R189 PolarHBondContact O-N 2.96Å; R189-L192 PolarHBondContact O-N 2.85Å; R189-C193 WeakPolarHBondContact O-CB 3.47Å; R189-C193 PolarHBondContact O-N 3.48Å; R189-C193 PolarHBondContact O-SG 3.18Å; R189-C193 VanDerWaalsContact O-SG 3.36Å
190K68.1Low67.8Low151 Ų15195.8 Ų95.866%0.65751%0.509SS*.Hα-helixtrans-66.4-42178.2-162.9175.7-176.5-178.20111P186 S187 N194P186-K190 PolarHBondContact O-N 3.41Å; S187-K190 PolarHBondContact O-N 3.42Å; K190-N194 WeakPolarHBondContact O-CB 3.5Å; K190-N194 PolarHBondContact O-N 3.04Å; K190-N194 PolarHBondContact O-ND2 3.28Å
191A68.7Low67.3Low60 Ų6092 Ų9250%0.49650%0.498SS..Hα-helixtrans-62.9-43.8173.700000112.1S187 A188 N194 W195S187-A191 PolarHBondContact O-N 3.15Å; A188-A191 PolarHBondContact O-N 2.92Å; A191-N194 PolarHBondContact O-N 2.97Å; A191-W195 WeakPolarHBondContact O-CB 3.33Å; A191-W195 PolarHBondContact O-N 3.42Å
192L67.8Low66.8Low94 Ų9494 Ų9449%0.49251%0.509SS..Hα-helixtrans-66.9-42.1179.1-148.2118.3000112.2A188 R189 W195 V196A188-L192 WeakPolarHBondContact O-CB 3.46Å; A188-L192 PolarHBondContact O-N 2.87Å; R189-L192 PolarHBondContact O-N 2.85Å; L192-W195 PolarHBondContact O-N 2.91Å; L192-V196 WeakPolarHBondContact O-CB 3.17Å; L192-V196 VanDerWaalsContact O-CG2 3.29Å; L192-V196 WeakPolarHBondContact O-CG2 3.47Å; L192-V196 PolarHBondContact O-N 3.4Å
193C66.9Low66.1Low79 Ų7995.6 Ų95.653%0.53450%0.504SS..Hα-helixtrans-64.2-39.1174.1-75.90000112.3R189 R197R189-C193 WeakPolarHBondContact O-CB 3.47Å; R189-C193 PolarHBondContact O-N 3.48Å; R189-C193 PolarHBondContact O-SG 3.18Å; R189-C193 VanDerWaalsContact O-SG 3.36Å; C193-R197 WeakPolarHBondContact O-CB 3.37Å; C193-R197 WeakPolarHBondContact O-CG 3.36Å; C193-R197 PolarHBondContact O-N 3.34Å
194N72.1Confident65.1Low86 Ų8697.7 Ų97.746%0.4651%0.508SS..Hα-helixtrans-67.3-41.1175.4-74.5-9000111.3K190 A191 R197 M198K190-N194 WeakPolarHBondContact O-CB 3.5Å; K190-N194 PolarHBondContact O-N 3.04Å; K190-N194 PolarHBondContact O-ND2 3.28Å; A191-N194 PolarHBondContact O-N 2.97Å; N194-R197 PolarHBondContact O-N 2.82Å; N194-M198 WeakPolarHBondContact O-CB 3.22Å; N194-M198 WeakPolarHBondContact O-CG 3.43Å; N194-M198 PolarHBondContact O-N 3.47Å
195W71.2Confident64.4Low177 Ų177104.1 Ų104.167%0.6754%0.537SS*.Hα-helixtrans-64.4-44.4175.7-177.174.2000112.2A191 L192 R197 M198 A199A191-W195 WeakPolarHBondContact O-CB 3.33Å; A191-W195 PolarHBondContact O-N 3.42Å; L192-W195 PolarHBondContact O-N 2.91Å; W195-R197 VanDerWaalsContact C-N 3.31Å; W195-R197 PolarHBondContact O-N 3.29Å; W195-M198 PolarHBondContact O-N 3.48Å; W195-A199 WeakPolarHBondContact O-CB 3.43Å; W195-A199 PolarHBondContact O-N 3.2Å
196V71.9Confident63.6Low80 Ų80106 Ų10649%0.48555%0.552SS.*Hα-helixtrans-62.5-38174.3171.40000111.4L192 A200L192-V196 WeakPolarHBondContact O-CB 3.17Å; L192-V196 VanDerWaalsContact O-CG2 3.29Å; L192-V196 WeakPolarHBondContact O-CG2 3.47Å; L192-V196 PolarHBondContact O-N 3.4Å; V196-A200 WeakPolarHBondContact O-CB 3.49Å; V196-A200 PolarHBondContact O-N 3Å
197R68.2Low63Low192 Ų192103.9 Ų103.973%0.72554%0.54SS*.Hα-helixtrans-67.4-40174.3-77.7179.5108.7162.94.4112.4C193 N194 W195 A201C193-R197 WeakPolarHBondContact O-CB 3.37Å; C193-R197 WeakPolarHBondContact O-CG 3.36Å; C193-R197 PolarHBondContact O-N 3.34Å; N194-R197 PolarHBondContact O-N 2.82Å; W195-R197 VanDerWaalsContact C-N 3.31Å; W195-R197 PolarHBondContact O-N 3.29Å; R197-A201 WeakPolarHBondContact O-CB 3.37Å; R197-A201 PolarHBondContact O-N 3.44Å
198M66.2Low62.5Low126 Ų126103 Ų10362%0.62155%0.545SS*.Hα-helixtrans-67.2-47.7176-69.5-123.3-51.400111.3N194 W195 A200 A201 E202N194-M198 WeakPolarHBondContact O-CB 3.22Å; N194-M198 WeakPolarHBondContact O-CG 3.43Å; N194-M198 PolarHBondContact O-N 3.47Å; W195-M198 PolarHBondContact O-N 3.48Å; M198-A200 VanDerWaalsContact C-N 3.28Å; M198-A200 PolarHBondContact O-N 3.19Å; M198-A201 CarbonylContact O-C 3.49Å; M198-A201 WeakPolarHBondContact O-CA 3.5Å; M198-A201 WeakPolarHBondContact O-CB 3.25Å; M198-A201 PolarHBondContact O-N 3.36Å; M198-E202 WeakPolarHBondContact O-CB 3.29Å; M198-E202 PolarHBondContact O-N 2.84Å
199A62.9Low61.8Low36 Ų36107.9 Ų107.930%0.29857%0.565SS.*Hα-helixtrans-60.1-40176.600000111.2W195 A201 E202 H203W195-A199 WeakPolarHBondContact O-CB 3.43Å; W195-A199 PolarHBondContact O-N 3.2Å; A199-A201 VanDerWaalsContact C-N 3.34Å; A199-E202 PolarHBondContact O-N 2.63Å; A199-H203 WeakPolarHBondContact O-CB 3.42Å; A199-H203 PolarHBondContact O-N 2.96Å
200A60.1Low60.7Low43 Ų43108.7 Ų108.736%0.35558%0.582SS.*Hα-helixtrans-67.3-32.3172.900000112.8V196 M198 R204V196-A200 WeakPolarHBondContact O-CB 3.49Å; V196-A200 PolarHBondContact O-N 3Å; M198-A200 VanDerWaalsContact C-N 3.28Å; M198-A200 PolarHBondContact O-N 3.19Å; A200-R204 WeakPolarHBondContact O-CD 3.45Å; A200-R204 WeakPolarHBondContact O-CG 3.49Å; A200-R204 PolarHBondContact O-N 2.92Å
201A60.6Low59.5Low32 Ų32110.9 Ų110.926%0.26459%0.588SS.*Hα-helixtrans-73.6-37173.800000112.6R197 M198 A199 R204 H205R197-A201 WeakPolarHBondContact O-CB 3.37Å; R197-A201 PolarHBondContact O-N 3.44Å; M198-A201 CarbonylContact O-C 3.49Å; M198-A201 WeakPolarHBondContact O-CA 3.5Å; M198-A201 WeakPolarHBondContact O-CB 3.25Å; M198-A201 PolarHBondContact O-N 3.36Å; A199-A201 VanDerWaalsContact C-N 3.34Å; A201-R204 WeakPolarHBondContact O-CA 3.49Å; A201-R204 VanDerWaalsContact O-CB 3.26Å; A201-R204 WeakPolarHBondContact O-CB 3.45Å; A201-R204 PolarHBondContact O-N 2.96Å; A201-R204 VanDerWaalsContact O-N 3.12Å; A201-H205 PolarHBondContact O-CD2 3.37Å; A201-H205 PolarHBondContact O-N 3.24Å
202E56.5Low58.4Low140 Ų140119 Ų11965%0.65461%0.606SS**Hα-helixtrans-69.5-40.8177.7-162.3167.3-168.200110.8M198 A199 R204 H205 S206M198-E202 WeakPolarHBondContact O-CB 3.29Å; M198-E202 PolarHBondContact O-N 2.84Å; A199-E202 PolarHBondContact O-N 2.63Å; E202-R204 PolarHBondContact O-N 3.24Å; E202-H205 PolarHBondContact O-N 3.06Å; E202-S206 PolarHBondContact O-N 3.08Å
203H53.1Low57.4Low147 Ų147117.7 Ų117.768%0.68160%0.603SS**Hα-helixtrans-64.7-22.3170.3-137.6-65.6000113A199 S207A199-H203 WeakPolarHBondContact O-CB 3.42Å; A199-H203 PolarHBondContact O-N 2.96Å; H203-S207 WeakPolarHBondContact O-CB 3.36Å; H203-S207 PolarHBondContact O-OG 3.32Å
204R50.1Low56.4Low181 Ų181124.4 Ų124.468%0.68362%0.619SS**Hα-helixtrans-77-32.4173.8-74.8166.9-168175.8-4113.2A200 A201 E202A200-R204 WeakPolarHBondContact O-CD 3.45Å; A200-R204 WeakPolarHBondContact O-CG 3.49Å; A200-R204 PolarHBondContact O-N 2.92Å; A201-R204 WeakPolarHBondContact O-CA 3.49Å; A201-R204 VanDerWaalsContact O-CB 3.26Å; A201-R204 WeakPolarHBondContact O-CB 3.45Å; A201-R204 PolarHBondContact O-N 2.96Å; A201-R204 VanDerWaalsContact O-N 3.12Å; E202-R204 PolarHBondContact O-N 3.24Å
205H51.7Low55.2Low169 Ų169124.4 Ų124.478%0.78262%0.618SS**Hα-helixtrans-78.5-26.8178.8-70.2-64.4000112.9A201 E202A201-H205 PolarHBondContact O-CD2 3.37Å; A201-H205 PolarHBondContact O-N 3.24Å; E202-H205 PolarHBondContact O-N 3.06Å
206S53.6Low54.5Low110 Ų110120.2 Ų120.277%0.76961%0.612SS**Hα-helixtrans-85.9-18.7179.5-172.10000114.2E202E202-S206 PolarHBondContact O-N 3.08Å
207S56Low53.5Low58 Ų58120.3 Ų120.341%0.40662%0.621SS.*SBendtrans-95.4-11.2-17251.20000115.9H203 L209H203-S207 WeakPolarHBondContact O-CB 3.36Å; H203-S207 PolarHBondContact O-OG 3.32Å; S207-L209 PolarHBondContact O-N 3.34Å
208G54.1Low52.7Low75 Ų75117.3 Ų117.377%0.77362%0.615SS**  trans58.912.7172.600000116.4
209L50.4Low52.1Low140 Ų140113.9 Ų113.973%0.73360%0.602SS**  trans-88.1134.1-174.2-80.1164.5000111.7S207S207-L209 PolarHBondContact O-N 3.34Å
210P44.9Very low51.7Low106 Ų106116.1 Ų116.169%0.68861%0.608SS**  trans-65.8137.4178.625.2-31.1000111.3W212P210-W212 PolarHBondContact O-N 3.47Å; P210-W212 VanDerWaalsContact O-N 3.13Å
211Y43.5Very low51.5Low197 Ų197121.3 Ų121.377%0.77362%0.623SS**  trans-55.6110.2-179.5173.3-107.5000111.9P213Y211-P213 HydrophobicContact CD1-CG 4.16Å; Y211-P213 HydrophobicContact CE1-CB 3.81Å; Y211-P213 HydrophobicContact CE1-CG 3.52Å; Y211-P213 HydrophobicContact CE2-CB 4.41Å; Y211-P213 WeakPolarHBondContact OH-CB 3.33Å
212W45Very low51.3Low231 Ų231124.8 Ų124.888%0.87564%0.637SS**  trans-96.9112.7155.2-85.987.9000107.7P210 Y214P210-W212 PolarHBondContact O-N 3.47Å; P210-W212 VanDerWaalsContact O-N 3.13Å; W212-Y214 PolarHBondContact O-N 3.48Å; W212-Y214 VanDerWaalsContact O-N 3.13Å
213P46.5Very low51.3Low66 Ų66127 Ų12743%0.42964%0.639SS.*  trans-57.5125.3173.80.74.5000107.7Y211 L215Y211-P213 HydrophobicContact CD1-CG 4.16Å; Y211-P213 HydrophobicContact CE1-CB 3.81Å; Y211-P213 HydrophobicContact CE1-CG 3.52Å; Y211-P213 HydrophobicContact CE2-CB 4.41Å; Y211-P213 WeakPolarHBondContact OH-CB 3.33Å; P213-L215 PolarHBondContact O-N 3.44Å
214Y45.9Very low51.3Low221 Ų221127.2 Ų127.287%0.86764%0.642SS**  trans-49.9109.5163.5-141.4-95000106W212 T216W212-Y214 PolarHBondContact O-N 3.48Å; W212-Y214 VanDerWaalsContact O-N 3.13Å; Y214-T216 PolarHBondContact O-N 3.36Å
215L47.6Very low51.5Low85 Ų85121.7 Ų121.745%0.44564%0.642SS.*  trans-54.2107.4173.4-84.5157.8000106.1P213 T219P213-L215 PolarHBondContact O-N 3.44Å; L215-T219 HydrophobicContact CD2-CG2 3.42Å; L215-T219 VanDerWaalsContact CD2-CG2 3.42Å
216T55.4Low51.6Low90 Ų90121 Ų12155%0.55264%0.639SS**  trans-53.9145.3177.6-28.40000107.2Y214 E218 T219 L220Y214-T216 PolarHBondContact O-N 3.36Å; T216-E218 CarbonylContact O-C 3.59Å; T216-E218 PolarHBondContact O-N 3.35Å; T216-T219 WeakPolarHBondContact O-CB 3.31Å; T216-T219 PolarHBondContact O-N 3.44Å; T216-T219 PolarHBondContact O-OG1 3.48Å; T216-L220 PolarHBondContact O-N 2.95Å
217A51.3Low51.8Low82 Ų82124.4 Ų124.468%0.67864%0.643SS**Hα-helixtrans-52.2-28.1179.400000112.3L220 K221A217-L220 PolarHBondContact O-N 3.46Å; A217-K221 VanDerWaalsContact O-CB 3.31Å; A217-K221 WeakPolarHBondContact O-CB 3.5Å; A217-K221 PolarHBondContact O-N 2.96Å
218E52.5Low51.8Low128 Ų128126.9 Ų126.960%0.59866%0.658SS**Hα-helixtrans-52.9-49.1167.5-131.284.3-141.100113.5T216 K221 N222T216-E218 CarbonylContact O-C 3.59Å; T216-E218 PolarHBondContact O-N 3.35Å; E218-K221 PolarHBondContact O-N 3.3Å; E218-N222 VanDerWaalsContact O-CG 3.3Å; E218-N222 PolarHBondContact O-N 3.03Å; E218-N222 PolarHBondContact O-ND2 2.76Å
219T51.7Low52.1Low55 Ų55128.8 Ų128.834%0.33766%0.656SS.*Hα-helixtrans-72.1-32.9-176.5-29.50000111.7L215 T216 R223L215-T219 HydrophobicContact CD2-CG2 3.42Å; L215-T219 VanDerWaalsContact CD2-CG2 3.42Å; T216-T219 WeakPolarHBondContact O-CB 3.31Å; T216-T219 PolarHBondContact O-N 3.44Å; T216-T219 PolarHBondContact O-OG1 3.48Å; T219-R223 PolarHBondContact O-N 3.05Å
220L54.8Low52.5Low83 Ų83127.5 Ų127.544%0.43566%0.656SS.*Hα-helixtrans-71.9-35.9174.8-126.9151.8000111.4T216 A217 R223 M224T216-L220 PolarHBondContact O-N 2.95Å; A217-L220 PolarHBondContact O-N 3.46Å; L220-R223 PolarHBondContact O-N 3.29Å; L220-M224 HydrophobicContact CD2-CE 3.29Å; L220-M224 PolarHBondContact O-N 3.34Å; L220-M224 VanDerWaalsContact O-N 3.15Å
221K55.5Low52.6Low151 Ų151128.1 Ų128.166%0.65766%0.66SS**Hα-helixtrans-67.6-40174.6-171.1-178.9166.7-168.10112.2A217 E218 R223 M224 G225A217-K221 VanDerWaalsContact O-CB 3.31Å; A217-K221 WeakPolarHBondContact O-CB 3.5Å; A217-K221 PolarHBondContact O-N 2.96Å; E218-K221 PolarHBondContact O-N 3.3Å; K221-R223 VanDerWaalsContact C-N 3.29Å; K221-R223 PolarHBondContact O-N 3.35Å; K221-M224 PolarHBondContact O-N 3.41Å; K221-G225 PolarHBondContact O-N 3.3Å
222N57.5Low53Low105 Ų105125.3 Ų125.356%0.56166%0.664SS**Hα-helixtrans-68-27.6176.4-68-15.7000113.1E218 H226E218-N222 VanDerWaalsContact O-CG 3.3Å; E218-N222 PolarHBondContact O-N 3.03Å; E218-N222 PolarHBondContact O-ND2 2.76Å; N222-H226 PolarHBondContact O-ND1 3.46Å
223R56.3Low53.1Low187 Ų187122.6 Ų122.671%0.70666%0.661SS**Hα-helixtrans-79.1-31.3173.8-78.5-170.9176.6-171.9-0114.1T219 L220 K221 G225T219-R223 PolarHBondContact O-N 3.05Å; L220-R223 PolarHBondContact O-N 3.29Å; K221-R223 VanDerWaalsContact C-N 3.29Å; K221-R223 PolarHBondContact O-N 3.35Å; R223-G225 VanDerWaalsContact C-N 3.31Å
224M54.1Low53.3Low151 Ų151128.6 Ų128.674%0.74468%0.683SS**Hα-helixtrans-76.6-16.8175.3-73.6-170.4-14700113.7L220 K221L220-M224 HydrophobicContact CD2-CE 3.29Å; L220-M224 PolarHBondContact O-N 3.34Å; L220-M224 VanDerWaalsContact O-N 3.15Å; K221-M224 PolarHBondContact O-N 3.41Å
225G52.6Low53.1Low66 Ų66126.7 Ų126.768%0.6868%0.682SS**THydrogen-bonded Turntrans-83.2-11.2-179.900000115.4K221 R223K221-G225 PolarHBondContact O-N 3.3Å; R223-G225 VanDerWaalsContact C-N 3.31Å
226H54.9Low53.2Low155 Ų155131.6 Ų131.672%0.71872%0.723SS**  trans-95.6113.8177.9-74.977.3000109.6N222N222-H226 PolarHBondContact O-ND1 3.46Å
227Q56.3Low53Low181 Ų181133.7 Ų133.785%0.84673%0.732SS**PPolyproline II helixtrans-62141163.9-82.1-160.60.200109.2
228P57.1Low53.1Low110 Ų110136.4 Ų136.471%0.71474%0.735SS**PPolyproline II helixtrans-60.6141.5169.526-31.5000109.2
229P60.3Low53.2Low115 Ų115136.9 Ų136.975%0.74774%0.742SS**PPolyproline II helixtrans-59.2145177.225-32.5000110
230P58.8Low53.3Low112 Ų112141.7 Ų141.773%0.72777%0.766SS**PPolyproline II helixtrans-61.2147.1-179.125.3-32.8000110.5T232P230-T232 PolarHBondContact O-N 3.48Å
231P46.3Very low53.2Low120 Ų120145.4 Ų145.478%0.77979%0.787SS**PPolyproline II helixtrans-62.7121.4-178.125.3-32.4000109.8Q233P231-Q233 PolarHBondContact O-N 3.44Å
232T53.5Low53Low137 Ų137145 Ų14584%0.8480%0.796SS**PPolyproline II helixtrans-60.1118.5171.9-24.40000108.1P230 Q234P230-T232 PolarHBondContact O-N 3.48Å; T232-Q234 PolarHBondContact O-N 3.28Å
233Q47.3Very low52.7Low175 Ų175147.9 Ų147.982%0.81881%0.812SS**PPolyproline II helixtrans-64.5117.6170-69.1-152.121.300108.3P231 H235P231-Q233 PolarHBondContact O-N 3.44Å; Q233-H235 PolarHBondContact O-N 3.19Å
234Q49.1Very low52.4Low192 Ų192144.8 Ų144.890%0.89782%0.82SS**  trans-74.1115.8161.1-73-164.3-3100107.2T232T232-Q234 PolarHBondContact O-N 3.28Å
235H41.5Very low52.3Low180 Ų180144.3 Ų144.383%0.83383%0.827SS**  trans-77.8133.2167.8-129.8-103.1000108.1Q233Q233-H235 PolarHBondContact O-N 3.19Å
236S49.6Very low52.2Low189 Ų189151.5 Ų151.5100%1.32284%0.84SS**  trans-56.70176.5-60.10000113.9

Retrieved 236 of 236 residues in 184.3 ms (Link to these results)