G4VNK1_SCHMA Loading...

Condensin complex subunit 2

AlphaFold DB , UniProt , Accession G4VNK1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 318 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M30.7Very low28.5Very low158 Ų158140.1 Ų140.178%0.77870%0.703SS**  01170-81.5177.9176.500108.1Y157M1-Y157 WeakPolarHBondContact CE-OH 3.32Å
2N25.8Very low28.2Very low145 Ų145143.8 Ų143.878%0.77572%0.716SS**  trans-132.6106.8167.4-84.3-16.5000104.9
3A27.8Very low28Very low79 Ų79145.9 Ų145.965%0.65371%0.711SS**  trans-91.6111.9166.200000106.3
4T28.5Very low27.8Very low93 Ų93146.8 Ų146.857%0.57172%0.721SS**  trans-104.8115.517721.80000108.7H6T4-H6 PolarHBondContact O-N 2.98Å
5L28.9Very low27.9Very low118 Ų118148.5 Ų148.562%0.61872%0.723SS**  trans-74.6106.5170-157.197.5000107.8Q7L5-Q7 HydrophobicContact CD2-CG 4.44Å; L5-Q7 PolarHBondContact O-N 2.93Å
6H32.1Very low27.7Very low140 Ų140142.5 Ų142.565%0.64871%0.712SS**  trans-79.894.6170-91.2-64000109.1T4 D8T4-H6 PolarHBondContact O-N 2.98Å; H6-D8 PolarHBondContact O-N 3.06Å
7Q28.6Very low27.6Very low158 Ų158144.6 Ų144.674%0.73873%0.726SS**  trans-65.1110.8162-96.9176.9-13.600108.3L5 K9L5-Q7 HydrophobicContact CD2-CG 4.44Å; L5-Q7 PolarHBondContact O-N 2.93Å; Q7-K9 PolarHBondContact O-N 2.87Å
8D29.9Very low27.5Very low120 Ų120142.2 Ų142.264%0.64272%0.72SS**  trans-60.7123.6161.6-104-19.2000108H6 W10H6-D8 PolarHBondContact O-N 3.06Å; D8-W10 VanDerWaalsContact C-N 3.33Å; D8-W10 PolarHBondContact O-N 3.21Å
9K25.5Very low27.5Very low211 Ų211138.9 Ų138.992%0.91771%0.711SS**  trans-64.894.3172.8-81.7-178.4175.3178.50108.2Q7 D11Q7-K9 PolarHBondContact O-N 2.87Å; K9-D11 PolarHBondContact O-N 3.49Å
10W30.9Very low27.4Very low201 Ų201135.4 Ų135.476%0.76169%0.694SS**  trans-73.5118.6168.4-67.686.4000108.8D8 Q12D8-W10 VanDerWaalsContact C-N 3.33Å; D8-W10 PolarHBondContact O-N 3.21Å; W10-Q12 PolarHBondContact O-N 3.08Å
11D25Very low27.3Very low118 Ų118132.7 Ų132.763%0.63169%0.686SS**  trans-47.9100.5172.4-13717.3000108.8K9 R13K9-D11 PolarHBondContact O-N 3.49Å; D11-R13 PolarHBondContact O-N 2.83Å; D11-R13 IonicContact OD2-CZ 3.37Å; D11-R13 IonicContact OD2-NE 2.83Å; D11-R13 PolarHBondContact OD2-NE 2.99Å; D11-R13 IonicContact OD2-NH2 2.85Å; D11-R13 PolarHBondContact OD2-NH2 3.46Å
12Q24.8Very low27.1Very low185 Ų185130.7 Ų130.786%0.86468%0.683SS**  trans-71.581175.6-159.8176.32700107.2W10W10-Q12 PolarHBondContact O-N 3.08Å
13R25.7Very low27.3Very low171 Ų171132.3 Ų132.365%0.64568%0.683SS**  trans-92.2109.7169.2-65.9-168.9-155-174.46.8108.3D11 F15D11-R13 PolarHBondContact O-N 2.83Å; D11-R13 IonicContact OD2-CZ 3.37Å; D11-R13 IonicContact OD2-NE 2.83Å; D11-R13 PolarHBondContact OD2-NE 2.99Å; D11-R13 IonicContact OD2-NH2 2.85Å; D11-R13 PolarHBondContact OD2-NH2 3.46Å; R13-F15 HydrophobicContact CB-CD2 4.23Å; R13-F15 HydrophobicContact CB-CE2 3.98Å; R13-F15 WeakPolarHBondContact O-CD2 3.3Å; R13-F15 PolarHBondContact O-N 2.9Å
14D25Very low27.3Very low158 Ų158138.2 Ų138.285%0.84569%0.694SS**  trans-53.298.9163.6-71.3-36.8000109G16D14-G16 PolarHBondContact O-N 3.41Å
15F28.9Very low27.2Very low172 Ų172139.5 Ų139.575%0.75471%0.707SS**  trans-84.390170-85.6-83000108.4R13R13-F15 HydrophobicContact CB-CD2 4.23Å; R13-F15 HydrophobicContact CB-CE2 3.98Å; R13-F15 WeakPolarHBondContact O-CD2 3.3Å; R13-F15 PolarHBondContact O-N 2.9Å
16G24.8Very low27.2Very low53 Ų53138.1 Ų138.155%0.54671%0.707SS.*  trans-64.6138.6166.800000112.2D14 T18D14-G16 PolarHBondContact O-N 3.41Å; G16-T18 VanDerWaalsContact C-N 3.32Å; G16-T18 PolarHBondContact O-N 3.38Å; G16-T18 PolarHBondContact O-OG1 3.41Å
17D26.3Very low27.1Very low178 Ų178134.7 Ų134.795%0.95271%0.71SS**SBendtrans45.427.7151.6-79.2-10.8000120.3
18T26.1Very low27.2Very low102 Ų102135.1 Ų135.163%0.62672%0.717SS**  trans-130.4111-178.338.40000114.6G16G16-T18 VanDerWaalsContact C-N 3.32Å; G16-T18 PolarHBondContact O-N 3.38Å; G16-T18 PolarHBondContact O-OG1 3.41Å
19S26.6Very low27.3Very low79 Ų79137.7 Ų137.755%0.55272%0.723SS**  trans38.5119.5145.452.40000119.9C21 F35S19-C21 PolarHBondContact O-N 2.93Å; S19-F35 PolarHBondContact OG-O 2.79Å
20L26.4Very low27.4Very low69 Ų69138 Ų13836%0.36172%0.718SS.*  trans-30.7125168.9-103.4112.8000115.8V22L20-V22 HydrophobicContact CD2-CG2 4.39Å
21C25.8Very low27.4Very low79 Ų79134.9 Ų134.953%0.53472%0.716SS.*  trans-104117.8166.1-102.80000109.5S19 F23S19-C21 PolarHBondContact O-N 2.93Å; C21-F23 HydrophobicContact CB-CD2 4.36Å; C21-F23 HydrophobicContact CB-CE2 3.59Å; C21-F23 HydrophobicContact CB-CZ 3.7Å
22V26.4Very low27.8Very low116 Ų116135.7 Ų135.770%0.70372%0.716SS**  trans-104.7115.7168.1-179.60000108L20L20-V22 HydrophobicContact CD2-CG2 4.39Å
23F29.7Very low28Very low179 Ų179132.8 Ų132.879%0.78571%0.705SS**  trans-96.4132.5179-60.8-81.1000110.8C21C21-F23 HydrophobicContact CB-CD2 4.36Å; C21-F23 HydrophobicContact CB-CE2 3.59Å; C21-F23 HydrophobicContact CB-CZ 3.7Å
24K27.6Very low28.1Very low203 Ų203133.7 Ų133.788%0.88371%0.71SS**  trans-121.2106.6156.8-176.1178179.8177.90106.7
25S27.2Very low28.2Very low120 Ų120132.8 Ų132.884%0.83970%0.699SS**  trans-86.2129.4174.672.20000109.8
26S27.4Very low28.1Very low88 Ų88133.4 Ų133.462%0.61570%0.704SS**  trans-140.9108.8158.770.10000107.3
27G31.4Very low28.3Very low69 Ų69134 Ų13471%0.71171%0.711SS**SBendtrans60.2120.9163.900000118.8K29G27-K29 VanDerWaalsContact C-N 3.27Å; G27-K29 PolarHBondContact O-N 3.02Å
28N30.2Very low28.3Very low166 Ų166134.2 Ų134.289%0.88871%0.706SS**SBendtrans34.815.9150-75.2-3.7000123.1
29K30.6Very low28.3Very low175 Ų175140 Ų14076%0.76172%0.716SS**  trans-136.6108.3165.4-71.7-174179.2177.30110.6G27 N31G27-K29 VanDerWaalsContact C-N 3.27Å; G27-K29 PolarHBondContact O-N 3.02Å; K29-N31 PolarHBondContact O-N 2.95Å; K29-N31 VanDerWaalsContact O-N 3.07Å
30R29.3Very low28.3Very low216 Ų216142.1 Ų142.182%0.81573%0.726SS**  trans-68.698.2166-79.2-177.1177.3171.9-0.1108.4
31N30.6Very low28.3Very low137 Ų137146 Ų14673%0.73375%0.752SS**  trans-94.7110.3164.4-71.7-25.7000107.7K29 I33K29-N31 PolarHBondContact O-N 2.95Å; K29-N31 VanDerWaalsContact O-N 3.07Å; N31-I33 PolarHBondContact O-N 3.22Å
32H32.2Very low28.3Very low134 Ų134147.5 Ų147.562%0.6276%0.762SS**  trans-72.8117.5171-64.7-90.6000108.3Y34H32-Y34 HydrophobicContact CB-CD2 4.22Å; H32-Y34 HydrophobicContact CB-CE2 3.63Å
33I29Very low28.2Very low124 Ų124151.5 Ų151.564%0.63677%0.77SS**  trans-107.6107.5167.4-56.6177.6000105.8N31 F35N31-I33 PolarHBondContact O-N 3.22Å; I33-F35 HydrophobicContact CG2-CE2 4.15Å; I33-F35 HydrophobicContact CG2-CZ 4.19Å
34Y28.6Very low28.1Very low191 Ų191152.9 Ų152.975%0.74978%0.776SS**  trans-82.5129.2172.8-65.8-88.1000108.5H32H32-Y34 HydrophobicContact CB-CD2 4.22Å; H32-Y34 HydrophobicContact CB-CE2 3.63Å
35F26.9Very low28.2Very low138 Ų138148.4 Ų148.461%0.60577%0.767SS**  trans-97.290.4163.7-67.6-82.7000107.2S19 I33S19-F35 PolarHBondContact OG-O 2.79Å; I33-F35 HydrophobicContact CG2-CE2 4.15Å; I33-F35 HydrophobicContact CG2-CZ 4.19Å
36E27.8Very low28.1Very low185 Ų185154.1 Ų154.186%0.86477%0.77SS**  trans-76.1142.7159.5-87.8-177.6156.500108.8
37G28Very low28.1Very low67 Ų67158.4 Ų158.469%0.69179%0.786SS**SBendtrans-55.8171.6-17200000115.7R39G37-R39 PolarHBondContact O-N 3.13Å; G37-R39 VanDerWaalsContact O-N 3.14Å
38E27.5Very low28Very low182 Ų182160.4 Ų160.485%0.8579%0.789SS**SBendtrans889165.6-63.5-172.4163.500116.2
39R25.4Very low27.9Very low223 Ų223157.4 Ų157.484%0.84279%0.787SS**SBendtrans154.7131.3135.6-80.1152.1-167.9-160.12.6110.9G37G37-R39 PolarHBondContact O-N 3.13Å; G37-R39 VanDerWaalsContact O-N 3.14Å
40T26.7Very low27.8Very low124 Ų124158.7 Ų158.776%0.76179%0.792SS**  trans65.298.3160.349.50000118.7C42T40-C42 PolarHBondContact O-N 2.94Å; T40-C42 VanDerWaalsContact O-N 3.11Å
41V25.9Very low27.7Very low149 Ų149152.2 Ų152.290%0.90379%0.793SS**  trans-71.296.9158.9-179.80000108.8K43V41-K43 PolarHBondContact O-N 3.39Å
42C25.7Very low27.4Very low111 Ų111154.4 Ų154.475%0.7580%0.799SS**  trans-83.5105.9173.5-74.60000110.8T40 K44T40-C42 PolarHBondContact O-N 2.94Å; T40-C42 VanDerWaalsContact O-N 3.11Å; C42-K44 PolarHBondContact O-N 3.42Å
43K25.5Very low27Very low200 Ų200156.9 Ų156.987%0.8781%0.811SS**  trans-61.2119.7158.9-92.4179.4174.9173.70108.6V41V41-K43 PolarHBondContact O-N 3.39Å
44K27.4Very low26.8Very low209 Ų209156.1 Ų156.191%0.90982%0.816SS**  trans-99.6115.8163.4-132.4179.9-174.1178.10109.5C42C42-K44 PolarHBondContact O-N 3.42Å
45P28.3Very low26.5Very low108 Ų108154.2 Ų154.270%0.70182%0.817SS**  trans-94.8149.6178.134.7-30000113.2
46R26.2Very low26.3Very low240 Ų240152 Ų15291%0.90682%0.819SS**  trans61.3115.9147.9-73.7-177171.3162.8-1.8121.4
47L28.2Very low26.1Very low179 Ų179148.7 Ų148.794%0.93781%0.811SS**  trans-147.6135.5137.2-74.7168.2000105.5
48S28.6Very low25.9Very low110 Ų110151.2 Ų151.277%0.76981%0.813SS**  cis-163.7172-0.172.90000108.7K50S48-K50 PolarHBondContact O-N 3.39Å
49A27.7Very low25.7Very low103 Ų103146.8 Ų146.885%0.85180%0.802SS**  trans-71.353.7-165.200000118.5
50K29.6Very low25.7Very low202 Ų202140.3 Ų140.388%0.87879%0.791SS**  trans-124.499160.2-79.8-171.6177-178.30109.9S48 Q52S48-K50 PolarHBondContact O-N 3.39Å; K50-Q52 PolarHBondContact O-N 3.41Å
51G25.7Very low25.5Very low81 Ų81143.1 Ų143.184%0.83580%0.795SS**  trans-63.3119.2177.300000111.1
52Q25.1Very low25.5Very low182 Ų182141.4 Ų141.485%0.8578%0.78SS**  trans-145.6116.7141.3-109.1172.2-17.800105.6K50 C54K50-Q52 PolarHBondContact O-N 3.41Å; Q52-C54 PolarHBondContact O-N 3.5Å
53E23.5Very low25.6Very low186 Ų186140.6 Ų140.687%0.86978%0.776SS**  trans-54.4103.9169.2-69.9172139.300108.4
54C24.4Very low25.7Very low109 Ų109137.3 Ų137.374%0.73677%0.768SS**  trans-99.580.6157.8-79.10000107.1Q52 S56Q52-C54 PolarHBondContact O-N 3.5Å; C54-S56 PolarHBondContact O-N 3.23Å
55I23.1Very low25.8Very low150 Ų150132.2 Ų132.277%0.76975%0.75SS**  trans-64.378.8141.4-58.1171.9000104.3T57I55-T57 PolarHBondContact O-N 3.01Å
56S23.2Very low25.7Very low93 Ų93136.5 Ų136.565%0.6576%0.761SS**  trans-77.789.5168.5520000105.5C54 V58C54-S56 PolarHBondContact O-N 3.23Å; S56-V58 PolarHBondContact O-N 3.11Å
57T22.8Very low26.1Very low114 Ų114129 Ų12970%0.69975%0.745SS**  trans-32.5114.2148.42.20000106.7I55 S59I55-T57 PolarHBondContact O-N 3.01Å; T57-S59 PolarHBondContact O-N 3.43Å
58V24Very low26.1Very low120 Ų120126.8 Ų126.873%0.72774%0.738SS**  trans-73.773.8168-1770000105.3S56 S60S56-V58 PolarHBondContact O-N 3.11Å; V58-S60 VanDerWaalsContact C-N 3.28Å; V58-S60 PolarHBondContact O-N 3.11Å; V58-S60 VanDerWaalsContact O-N 3.14Å
59S22.7Very low26.5Very low89 Ų89127.3 Ų127.362%0.62273%0.728SS**  trans-6799.7153.848.70000104.5T57 E61T57-S59 PolarHBondContact O-N 3.43Å; S59-E61 PolarHBondContact O-N 3.5Å
60S25.2Very low26.5Very low88 Ų88127.9 Ų127.962%0.61572%0.721SS**  trans-53.5107.5147.749.60000104.7V58 I62V58-S60 VanDerWaalsContact C-N 3.28Å; V58-S60 PolarHBondContact O-N 3.11Å; V58-S60 VanDerWaalsContact O-N 3.14Å; S60-I62 PolarHBondContact O-N 2.86Å
61E22.7Very low26.7Very low183 Ų183124.4 Ų124.486%0.85571%0.713SS**  trans-58.393.5155.9-78.2-179.416600104.5S59 S63S59-E61 PolarHBondContact O-N 3.5Å; E61-S63 PolarHBondContact O-N 3.16Å
62I26.2Very low27.1Very low112 Ų112121.8 Ų121.857%0.57469%0.685SS**  trans-57.2103156.8-59.6170000101.7S60 N64S60-I62 PolarHBondContact O-N 2.86Å; I62-N64 VanDerWaalsContact CG2-OD1 3.31Å; I62-N64 WeakPolarHBondContact CG2-OD1 3.31Å; I62-N64 PolarHBondContact O-N 2.78Å
63S28.6Very low27.7Very low95 Ų95117.3 Ų117.366%0.66466%0.661SS**  trans-63.692.2165.9560000105.4E61 N65E61-S63 PolarHBondContact O-N 3.16Å; S63-N65 PolarHBondContact O-N 2.84Å
64N26.6Very low28.5Very low131 Ų131112.4 Ų112.470%0.70164%0.638SS**  trans-65.177.8167.2-87.7-3.2000106.5I62 E66I62-N64 VanDerWaalsContact CG2-OD1 3.31Å; I62-N64 WeakPolarHBondContact CG2-OD1 3.31Å; I62-N64 PolarHBondContact O-N 2.78Å; N64-E66 PolarHBondContact O-N 3.02Å; N64-E66 VanDerWaalsContact O-N 3.09Å
65N29.6Very low29.3Very low101 Ų101112.3 Ų112.354%0.5463%0.625SS.*  trans-75.893.2159.7-76.6-5000105.3S63 C67S63-N65 PolarHBondContact O-N 2.84Å; N65-C67 PolarHBondContact O-N 2.93Å
66E26.4Very low30.2Very low199 Ų199109.6 Ų109.693%0.9361%0.609SS**  trans-50.1105.3163.5-77.9-178155.400107.7N64N64-E66 PolarHBondContact O-N 3.02Å; N64-E66 VanDerWaalsContact O-N 3.09Å
67C34.4Very low30.7Very low83 Ų83112.1 Ų112.156%0.56161%0.614SS**  trans-136.498.9178.3-143.50000107.8N65 H69N65-C67 PolarHBondContact O-N 2.93Å; C67-H69 PolarHBondContact O-N 3.48Å; C67-H69 VanDerWaalsContact O-N 3.12Å; C67-H69 PolarHBondContact SG-CD2 3.09Å
68T29.1Very low31Very low131 Ų131108.6 Ų108.680%0.80460%0.601SS**  trans-75.489.9175.345.30000109.2
69H35.6Very low31.3Very low121 Ų121109.5 Ų109.556%0.5660%0.602SS**  trans-129.3125166.8-67.1-62.7000112C67C67-H69 PolarHBondContact O-N 3.48Å; C67-H69 VanDerWaalsContact O-N 3.12Å; C67-H69 PolarHBondContact SG-CD2 3.09Å
70T28.7Very low31.8Very low115 Ų115115.5 Ų115.571%0.70662%0.617SS**THydrogen-bonded Turntrans-62129.6163.845.10000108.6
71N34.2Very low32Very low130 Ų130118.8 Ų118.870%0.69563%0.627SS**THydrogen-bonded Turntrans103.515169.1-47.8-13.3000118.6Y73N71-Y73 WeakPolarHBondContact O-CD2 3.45Å; N71-Y73 WeakPolarHBondContact O-CE2 3.38Å; N71-Y73 PolarHBondContact O-N 3.14Å
72G33.2Very low32.3Very low25 Ų25115.2 Ų115.226%0.25862%0.619SS.*SBendtrans77.513.7158.600000117.7
73Y36.8Very low32.7Very low88 Ų88113.5 Ų113.535%0.34561%0.611SS.*  trans-112.7132.5173.9-57.7-78.5000111.1N71 F152 L161N71-Y73 WeakPolarHBondContact O-CD2 3.45Å; N71-Y73 WeakPolarHBondContact O-CE2 3.38Å; N71-Y73 PolarHBondContact O-N 3.14Å; Y73-F152 HydrophobicContact CD2-CD2 4.25Å; Y73-F152 HydrophobicContact CD2-CE2 4.34Å; Y73-F152 HydrophobicContact CE2-CD2 4.47Å; Y73-F152 HydrophobicContact CG-CE2 4.24Å; Y73-L161 HydrophobicContact CE1-CD1 4.31Å; Y73-L161 HydrophobicContact CE1-CD2 4Å; Y73-L161 VanDerWaalsContact OH-CD1 3.29Å; Y73-L161 WeakPolarHBondContact OH-CD1 3.46Å
74Q41.2Very low33Very low83 Ų83116.3 Ų116.339%0.38861%0.611SS.*  trans-101.7122.3171-178.5173.8800109.6H76 L121Q74-H76 PolarHBondContact O-N 2.89Å; Q74-L121 HydrophobicContact CB-CD2 3.23Å; Q74-L121 HydrophobicContact CG-CD2 4.34Å
75K41.7Very low33.6Very low108 Ų108114.4 Ų114.447%0.4760%0.597SS.*BIsolated β-bridgetrans-69.1117.5169.8-163.5168.7-169.3157.80108.1L77 E103K75-L77 PolarHBondContact O-N 3.38Å; K75-L77 VanDerWaalsContact O-N 3.14Å; K75-E103 IonicContact NZ-OE1 3.84Å
76H41.2Very low33.9Very low93 Ų93114.4 Ų114.443%0.43159%0.593SS.*  trans-65.5113179.1-124.1-62000109.8Q74 Q106Q74-H76 PolarHBondContact O-N 2.89Å; H76-Q106 PolarHBondContact CD2-OE1 3.33Å; H76-Q106 PolarHBondContact NE2-OE1 3.2Å
77L34.2Very low34.6Very low145 Ų145110.3 Ų110.376%0.75957%0.57SS**  trans-116.711.6174.8-105.2147000112.1K75K75-L77 PolarHBondContact O-N 3.38Å; K75-L77 VanDerWaalsContact O-N 3.14Å
78G27.7Very low34.8Very low41 Ų41113.5 Ų113.542%0.42358%0.577SS.*  trans-138.482.1-167.800000115.5
79N30.7Very low35.5Very low138 Ų138112 Ų11274%0.73856%0.563SS**SBendtrans175.491.8135.3-92.4-24.1000110.1L81N79-L81 PolarHBondContact O-N 3.23Å
80K33.9Very low35.8Very low216 Ų216113.3 Ų113.394%0.93957%0.571SS**SBendtrans46.59.2158.8-74.3-169.2178.3-1770121
81L30Very low36.2Very low157 Ų157114.2 Ų114.282%0.82257%0.572SS**  trans-110.3120.1156.8-93.286.9000107.6N79 L83N79-L81 PolarHBondContact O-N 3.23Å; L81-L83 PolarHBondContact O-N 3.39Å
82P28.2Very low36.8Very low108 Ų108112.4 Ų112.470%0.70156%0.562SS**  trans-56.8143.1167.726.3-30.7000107.3K84P82-K84 VanDerWaalsContact C-N 3.29Å; P82-K84 PolarHBondContact O-N 3.43Å
83L34.9Very low37.2Very low76 Ų76117.7 Ų117.740%0.39859%0.592SS.*  trans-41.6104.7156.9-93.3150.7000106.5L81 K85L81-L83 PolarHBondContact O-N 3.39Å; L83-K85 HydrophobicContact CB-CG 4.44Å; L83-K85 PolarHBondContact O-N 3.13Å
84K34.5Very low37.9Very low153 Ų153117.2 Ų117.267%0.66560%0.602SS**  trans-78.677.7177.5-148.1-172.6-176.6-154.30104.8P82 E86P82-K84 VanDerWaalsContact C-N 3.29Å; P82-K84 PolarHBondContact O-N 3.43Å; K84-E86 HydrophobicContact CD-CG 4.23Å; K84-E86 WeakPolarHBondContact CD-OE1 3.37Å; K84-E86 WeakPolarHBondContact CE-OE1 3.46Å; K84-E86 HydrophobicContact CG-CG 4.07Å; K84-E86 IonicContact NZ-OE1 2.66Å; K84-E86 PolarHBondContact NZ-OE1 3.38Å; K84-E86 PolarHBondContact O-N 2.9Å
85K39.2Very low38.3Very low92 Ų92121.6 Ų121.640%0.462%0.622SS.*  trans-67.992.7166.8-68-172.5178.8-175.20105.5L83 Y87L83-K85 HydrophobicContact CB-CG 4.44Å; L83-K85 PolarHBondContact O-N 3.13Å; K85-Y87 HydrophobicContact CB-CD2 4.37Å; K85-Y87 HydrophobicContact CB-CE1 4.33Å; K85-Y87 HydrophobicContact CB-CE2 3.58Å; K85-Y87 WeakPolarHBondContact CD-OH 3.33Å; K85-Y87 WeakPolarHBondContact O-CD2 3.39Å; K85-Y87 VanDerWaalsContact O-CE2 3.25Å; K85-Y87 WeakPolarHBondContact O-CE2 3.47Å
86E36.8Very low38.8Very low101 Ų101120.3 Ų120.347%0.47262%0.621SS.*  trans-83118169.4-68.8-171.9167.200107.5K84K84-E86 HydrophobicContact CD-CG 4.23Å; K84-E86 WeakPolarHBondContact CD-OE1 3.37Å; K84-E86 WeakPolarHBondContact CE-OE1 3.46Å; K84-E86 HydrophobicContact CG-CG 4.07Å; K84-E86 IonicContact NZ-OE1 2.66Å; K84-E86 PolarHBondContact NZ-OE1 3.38Å; K84-E86 PolarHBondContact O-N 2.9Å
87Y40.6Very low39.6Very low113 Ų113119.5 Ų119.544%0.44362%0.617SS.*  trans-102.4117.9178.1-54-92.1000107.5K85 I99 L144K85-Y87 HydrophobicContact CB-CD2 4.37Å; K85-Y87 HydrophobicContact CB-CE1 4.33Å; K85-Y87 HydrophobicContact CB-CE2 3.58Å; K85-Y87 WeakPolarHBondContact CD-OH 3.33Å; K85-Y87 WeakPolarHBondContact O-CD2 3.39Å; K85-Y87 VanDerWaalsContact O-CE2 3.25Å; K85-Y87 WeakPolarHBondContact O-CE2 3.47Å; Y87-I99 HydrophobicContact CD1-CD1 4.18Å; Y87-I99 HydrophobicContact CD1-CG2 3.51Å; Y87-I99 HydrophobicContact CE1-CG2 4.04Å; Y87-L144 HydrophobicContact CE1-CD1 4.26Å; Y87-L144 HydrophobicContact CE1-CD2 3.95Å
88E38.4Very low40.8Very low150 Ų150116.3 Ų116.370%0.70160%0.6SS**  trans-98.4111.3163.2-76.9-172.1156.800108.4M90E88-M90 PolarHBondContact O-N 2.88Å
89L43Very low42.4Very low99 Ų99115.1 Ų115.152%0.51858%0.584SS.*  trans-84.4105.2176.8-158.485.5000108.8N91L89-N91 WeakPolarHBondContact CD2-OD1 3.15Å; L89-N91 PolarHBondContact O-N 2.99Å
90M41.5Very low43.9Very low148 Ų148110.4 Ų110.473%0.72956%0.559SS**  trans-80.8101.3169-71.6-91.6-101.700108.3E88 D92E88-M90 PolarHBondContact O-N 2.88Å; M90-D92 PolarHBondContact O-N 3.46Å; M90-D92 VanDerWaalsContact O-N 3.09Å
91N38.4Very low45.3Very low135 Ų135100.9 Ų100.972%0.72252%0.519SS*.  trans-72.197.6179.8-81.5-26000111.4L89L89-N91 WeakPolarHBondContact CD2-OD1 3.15Å; L89-N91 PolarHBondContact O-N 2.99Å
92D46.1Very low46.9Very low91 Ų9197 Ų9749%0.48750%0.496SS..  trans-107119.2153-165.8-34.9000108M90 S94M90-D92 PolarHBondContact O-N 3.46Å; M90-D92 VanDerWaalsContact O-N 3.09Å; D92-S94 PolarHBondContact O-N 2.79Å; D92-S94 PolarHBondContact OD1-N 2.99Å; D92-S94 PolarHBondContact OD1-OG 3.32Å
93P42.9Very low48.4Very low137 Ų13792.7 Ų92.789%0.8947%0.467SS*.SBendtrans-69.18-17727.6-33.4000114.2
94S49.6Very low49.6Very low77 Ų7792.4 Ų92.454%0.53847%0.468SS..SBendtrans-122.993.9179.762.60000113.1D92 N96D92-S94 PolarHBondContact O-N 2.79Å; D92-S94 PolarHBondContact OD1-N 2.99Å; D92-S94 PolarHBondContact OD1-OG 3.32Å; S94-N96 PolarHBondContact O-N 2.96Å
95Q50.5Low51Low175 Ų17586.2 Ų86.282%0.81844%0.441SS*.SBendtrans80.2-9.9151.4-65.7-167.4-18.400123.2
96N53Low52.2Low82 Ų8283 Ų8344%0.43943%0.427SS..  trans-149.5135171.3-80.8-44000111.8S94S94-N96 PolarHBondContact O-N 2.96Å
97H58.2Low53.5Low75 Ų7579 Ų7935%0.34741%0.409SS..EExtended strand (participates in β ladder)trans-100.2117.5172.9-65.7-2.9000108.9I138H97-I138 PolarHBondContact N-O 3.22Å; H97-I138 PolarHBondContact O-N 3.48Å
98I59.2Low54.5Low78 Ų7874.8 Ų74.840%0.440%0.4SS..EExtended strand (participates in β ladder)trans-87.1123.1173.8-58.4175.1000107.8P135I98-P135 HydrophobicContact CG2-CB 3.79Å
99I61.4Low55.7Low17 Ų1773 Ų739%0.08739%0.39CS..EExtended strand (participates in β ladder)trans-112127.5174.6-63.8-163.9000108.9Y87 I101 P135 V136 I138 L144Y87-I99 HydrophobicContact CD1-CD1 4.18Å; Y87-I99 HydrophobicContact CD1-CG2 3.51Å; Y87-I99 HydrophobicContact CE1-CG2 4.04Å; I99-I101 HydrophobicContact CG2-CG1 4.32Å; I99-P135 CarbonylContact O-C 3.54Å; I99-P135 WeakPolarHBondContact O-CA 3.31Å; I99-V136 PolarHBondContact N-O 2.95Å; I99-V136 PolarHBondContact O-N 2.79Å; I99-I138 HydrophobicContact CB-CD1 4.34Å; I99-I138 HydrophobicContact CD1-CD1 3.35Å; I99-I138 HydrophobicContact CD1-CG1 4.26Å; I99-I138 HydrophobicContact CG1-CD1 3.9Å; I99-I138 HydrophobicContact CG1-CG1 4.33Å; I99-L144 HydrophobicContact CD1-CD2 3.68Å
100T62.4Low56.7Low38 Ų3870.7 Ų70.723%0.23338%0.378CS..EExtended strand (participates in β ladder)trans-84125.3171.3-50.20000110.1H102 T133T100-H102 VanDerWaalsContact CG2-CE1 3.44Å; T100-H102 WeakPolarHBondContact CG2-CE1 3.42Å; T100-T133 HydrophobicContact CG2-CG2 3.4Å
101I63.1Low57.8Low16 Ų1665.5 Ų65.58%0.08235%0.353CS..EExtended strand (participates in β ladder)trans-105131.4178.4-55.8-167.8000108.9I99 E103 T133 Y134 V136 L148I99-I101 HydrophobicContact CG2-CG1 4.32Å; I101-E103 HydrophobicContact CG2-CG 3.89Å; I101-T133 CarbonylContact O-C 3.55Å; I101-T133 VanDerWaalsContact O-CA 3.24Å; I101-T133 WeakPolarHBondContact O-CA 3.31Å; I101-Y134 HydrophobicContact CB-CD1 4.3Å; I101-Y134 HydrophobicContact CB-CD2 4.05Å; I101-Y134 HydrophobicContact CB-CE1 3.98Å; I101-Y134 HydrophobicContact CB-CE2 3.7Å; I101-Y134 HydrophobicContact CB-CG 4.37Å; I101-Y134 HydrophobicContact CD1-CE2 3.71Å; I101-Y134 HydrophobicContact CG1-CD2 4.48Å; I101-Y134 HydrophobicContact CG1-CE2 4.06Å; I101-Y134 HydrophobicContact CG2-CE1 3.78Å; I101-Y134 HydrophobicContact CG2-CE2 4.05Å; I101-Y134 PolarHBondContact N-O 3.19Å; I101-Y134 PolarHBondContact O-N 3.02Å; I101-V136 HydrophobicContact CD1-CB 4.04Å; I101-V136 HydrophobicContact CD1-CG2 3.4Å; I101-V136 VanDerWaalsContact CD1-CG2 3.4Å; I101-V136 HydrophobicContact CG1-CB 4.42Å; I101-V136 HydrophobicContact CG1-CG2 3.9Å; I101-L148 HydrophobicContact CD1-CD1 3.39Å; I101-L148 HydrophobicContact CD1-CD2 3.59Å; I101-L148 HydrophobicContact CD1-CG 3.99Å
102H63Low58.9Low76 Ų7664.2 Ų64.235%0.35235%0.345SS..EExtended strand (participates in β ladder)trans-116.6122.3175.2-66.469000108.6T100 V132 T133T100-H102 VanDerWaalsContact CG2-CE1 3.44Å; T100-H102 WeakPolarHBondContact CG2-CE1 3.42Å; H102-V132 WeakPolarHBondContact CA-O 3.35Å; H102-T133 PolarHBondContact CD2-OG1 2.96Å; H102-T133 VanDerWaalsContact CE1-CG2 3.43Å; H102-T133 WeakPolarHBondContact CE1-CG2 3.45Å; H102-T133 VanDerWaalsContact NE2-CG2 3.27Å; H102-T133 WeakPolarHBondContact NE2-CG2 3.23Å; H102-T133 PolarHBondContact NE2-OG1 3.46Å
103E59.8Low59.4Low17 Ų1765.2 Ų65.28%0.07935%0.348CS..EExtended strand (participates in β ladder)trans-128.9144.7-179.8-68.6-176.9141.300110.9K75 I101 Y105 E131 V132 Y134K75-E103 IonicContact NZ-OE1 3.84Å; I101-E103 HydrophobicContact CG2-CG 3.89Å; E103-Y105 HydrophobicContact CB-CD2 4.39Å; E103-Y105 HydrophobicContact CB-CE2 3.61Å; E103-Y105 PolarHBondContact OE2-OH 2.94Å; E103-E131 CarbonylContact O-C 3.55Å; E103-E131 WeakPolarHBondContact O-CA 3.42Å; E103-V132 PolarHBondContact N-O 3.38Å; E103-V132 PolarHBondContact O-N 3.48Å; E103-Y134 VanDerWaalsContact CD-OH 3.32Å; E103-Y134 HydrophobicContact CG-CE1 4.32Å; E103-Y134 WeakPolarHBondContact OE2-CE1 3.15Å; E103-Y134 PolarHBondContact OE2-OH 3.5Å
104T60.8Low60.1Low71 Ų7168.4 Ų68.444%0.43635%0.351SS..EExtended strand (participates in β ladder)trans-124127.7177.9-51.50000109S129 L130 E131T104-S129 VanDerWaalsContact CG2-CB 3.4Å; T104-L130 CarbonylContact C-O 3.6Å; T104-L130 WeakPolarHBondContact CA-O 3.5Å; T104-E131 HydrophobicContact CG2-CG 4.09Å
105Y63.3Low60.4Low22 Ų2270.8 Ų70.89%0.08636%0.358CS..EExtended strand (participates in β ladder)trans-118.3134.4-175.2-63.5-84.9000110.9E103 S129 L130 V132 F152E103-Y105 HydrophobicContact CB-CD2 4.39Å; E103-Y105 HydrophobicContact CB-CE2 3.61Å; E103-Y105 PolarHBondContact OE2-OH 2.94Å; Y105-S129 CarbonylContact O-C 3.47Å; Y105-S129 VanDerWaalsContact O-CA 3.3Å; Y105-S129 WeakPolarHBondContact O-CA 3.37Å; Y105-S129 WeakPolarHBondContact O-CB 3.34Å; Y105-L130 PolarHBondContact N-O 2.96Å; Y105-L130 PolarHBondContact O-N 3.31Å; Y105-V132 HydrophobicContact CD2-CG2 4.04Å; Y105-V132 HydrophobicContact CE2-CB 4.35Å; Y105-V132 HydrophobicContact CE2-CG2 4.04Å; Y105-F152 AromaticContact CD1-CE2 3.58Å; Y105-F152 HydrophobicContact CD1-CE2 3.58Å; Y105-F152 AromaticContact CD1-CZ 3.51Å; Y105-F152 HydrophobicContact CD1-CZ 3.51Å; Y105-F152 HydrophobicContact CD2-CE1 4.32Å; Y105-F152 HydrophobicContact CD2-CE2 4.28Å; Y105-F152 AromaticContact CD2-CZ 3.5Å; Y105-F152 HydrophobicContact CD2-CZ 3.5Å; Y105-F152 VanDerWaalsContact CD2-CZ 3.5Å; Y105-F152 HydrophobicContact CE1-CD2 4.36Å; Y105-F152 AromaticContact CE1-CE2 3.17Å; Y105-F152 HydrophobicContact CE1-CE2 3.17Å; Y105-F152 AromaticContact CE1-CZ 3.44Å; Y105-F152 HydrophobicContact CE1-CZ 3.44Å; Y105-F152 VanDerWaalsContact CE1-CZ 3.44Å; Y105-F152 HydrophobicContact CE2-CE1 4.21Å; Y105-F152 AromaticContact CE2-CE2 3.93Å; Y105-F152 HydrophobicContact CE2-CE2 3.93Å; Y105-F152 AromaticContact CE2-CZ 3.42Å; Y105-F152 HydrophobicContact CE2-CZ 3.42Å; Y105-F152 VanDerWaalsContact CE2-CZ 3.42Å; Y105-F152 HydrophobicContact CG-CE2 4.1Å; Y105-F152 AromaticContact CG-CZ 3.53Å; Y105-F152 HydrophobicContact CG-CZ 3.53Å; Y105-F152 AromaticContact CZ-CE2 3.34Å; Y105-F152 AromaticContact CZ-CZ 3.37Å
106Q64Low60.7Low25 Ų2568.7 Ų68.712%0.11735%0.353CS..  trans-101137.7171.8-167.2179.315.400110H76 F124 D125H76-Q106 PolarHBondContact CD2-OE1 3.33Å; H76-Q106 PolarHBondContact NE2-OE1 3.2Å; Q106-F124 PolarHBondContact NE2-O 2.74Å; Q106-F124 VanDerWaalsContact NE2-O 3.1Å; Q106-D125 PolarHBondContact NE2-OD1 3.39Å
107L64.4Low60.8Low18 Ų1869.7 Ų69.79%0.09437%0.366CS..  trans-74.1143.2173.1-84.4164.7000111.5F124 V127 L164 A165 A168L107-F124 HydrophobicContact CB-CD2 4.28Å; L107-F124 PolarHBondContact O-N 3.28Å; L107-V127 HydrophobicContact CB-CG1 4.45Å; L107-V127 HydrophobicContact CD1-CG1 3.62Å; L107-L164 HydrophobicContact CD1-CB 4.06Å; L107-L164 HydrophobicContact CD1-CD2 3.36Å; L107-L164 HydrophobicContact CD1-CG 3.39Å; L107-L164 HydrophobicContact CG-CD2 4.07Å; L107-A165 HydrophobicContact CD2-CB 4.24Å; L107-A168 HydrophobicContact CD1-CB 4.21Å
108G62.6Low60.6Low24 Ų2471.2 Ų71.225%0.24737%0.373CS..EExtended strand (participates in β ladder)trans-157.1170173.800000112.7Y122G108-Y122 CarbonylContact C-O 3.51Å; G108-Y122 WeakPolarHBondContact CA-O 3.33Å
109F63.1Low60.5Low112 Ų11274.4 Ų74.449%0.49138%0.38SS..EExtended strand (participates in β ladder)trans-103.8118175.3174.1-99.3000110N111 L121 Y122 F124F109-N111 HydrophobicContact CD1-CB 4.33Å; F109-N111 HydrophobicContact CE1-CB 3.85Å; F109-N111 PolarHBondContact O-N 3.34Å; F109-L121 WeakPolarHBondContact O-CA 3.36Å; F109-Y122 HydrophobicContact CD1-CD2 4.11Å; F109-Y122 PolarHBondContact N-O 3.17Å; F109-Y122 PolarHBondContact O-N 3.07Å; F109-F124 HydrophobicContact CB-CE2 4.47Å; F109-F124 HydrophobicContact CB-CZ 3.95Å
110L64.7Low60.2Low51 Ų5177.3 Ų77.327%0.26739%0.392SS..EExtended strand (participates in β ladder)trans-85.7107.6175.2-175.868.7000109.2I112 R119 L121L110-I112 HydrophobicContact CD2-CD1 3.94Å; L110-I112 HydrophobicContact CD2-CG1 3.86Å; L110-I112 HydrophobicContact CG-CD1 4.47Å; L110-I112 HydrophobicContact CG-CG1 3.9Å; L110-I112 PolarHBondContact O-N 3.1Å; L110-R119 HydrophobicContact CD1-CB 4.26Å; L110-L121 HydrophobicContact CB-CD1 4.07Å; L110-L121 HydrophobicContact CD1-CB 4.34Å; L110-L121 HydrophobicContact CD1-CD1 4.45Å
111N64Low60.1Low38 Ų3877.4 Ų77.420%0.20339%0.391CS..EExtended strand (participates in β ladder)trans-79.1110.9169.9-1727.9000109.6F109 K120 Y122F109-N111 HydrophobicContact CD1-CB 4.33Å; F109-N111 HydrophobicContact CE1-CB 3.85Å; F109-N111 PolarHBondContact O-N 3.34Å; N111-K120 HydrophobicContact CB-CB 4.5Å; N111-K120 PolarHBondContact N-O 3.15Å; N111-K120 PolarHBondContact O-N 3.22Å; N111-Y122 HydrophobicContact CB-CD2 4.27Å; N111-Y122 HydrophobicContact CB-CE2 3.78Å
112I60.6Low60.1Low108 Ų10882.4 Ų82.455%0.55441%0.41SS*.EExtended strand (participates in β ladder)trans-103.295.1172.4-50.9175.4000106.5L110L110-I112 HydrophobicContact CD2-CD1 3.94Å; L110-I112 HydrophobicContact CD2-CG1 3.86Å; L110-I112 HydrophobicContact CG-CD1 4.47Å; L110-I112 HydrophobicContact CG-CG1 3.9Å; L110-I112 PolarHBondContact O-N 3.1Å
113M57.5Low60.1Low113 Ų11381.2 Ų81.256%0.55741%0.408SS*.  trans-68.6143.7168.7-64.3-63.4-131.100109.1D115M113-D115 CarbonylContact O-C 3.19Å; M113-D115 PolarHBondContact O-N 2.79Å; M113-D115 VanDerWaalsContact O-N 3.16Å
114E56.3Low60.3Low203 Ų20382 Ų8295%0.94941%0.411SS*.SBendtrans-56-31.3-178.6-68.7-177.5159.400112.4N116E114-N116 PolarHBondContact O-N 3.22Å
115D57.8Low60.5Low128 Ų12885.3 Ų85.368%0.68443%0.426SS*.SBendtrans-83.8109.4166.5-74.3-30.3000109.1M113 S117M113-D115 CarbonylContact O-C 3.19Å; M113-D115 PolarHBondContact O-N 2.79Å; M113-D115 VanDerWaalsContact O-N 3.16Å; D115-S117 PolarHBondContact O-N 3.06Å; D115-S117 PolarHBondContact O-OG 3.36Å
116N56.2Low60.5Low131 Ų13186.9 Ų86.970%0.70143%0.433SS*.THydrogen-bonded Turntrans-52.214.6179.5-101.9-30.5000116.5E114E114-N116 PolarHBondContact O-N 3.22Å
117S54.3Low60.3Low102 Ų10286.2 Ų86.271%0.71343%0.431SS*.THydrogen-bonded Turntrans-83.7-27.3-169.950.20000114.4D115D115-S117 PolarHBondContact O-N 3.06Å; D115-S117 PolarHBondContact O-OG 3.36Å
118E53.8Low60.1Low107 Ų10788.4 Ų88.450%0.544%0.443SS..  trans-149.1104.4175.2-69.3-172.1167.800112.3K120E118-K120 PolarHBondContact O-N 2.83Å; E118-K120 WeakPolarHBondContact OE2-CE 3.44Å; E118-K120 IonicContact OE2-NZ 3.7Å; E118-K120 PolarHBondContact OE2-NZ 3.11Å
119R56.6Low60.2Low145 Ų14590 Ų9055%0.54745%0.45SS..EExtended strand (participates in β ladder)trans-79.4117.3165.6-67.1-178.4-174.6177.92.2108.5L110L110-R119 HydrophobicContact CD1-CB 4.26Å
120K56.7Low60.2Low79 Ų7986 Ų8634%0.34343%0.434SS..EExtended strand (participates in β ladder)trans-111.7119.1176.9-70.9179.9179.9161.50109.7N111 E118 Y122N111-K120 HydrophobicContact CB-CB 4.5Å; N111-K120 PolarHBondContact N-O 3.15Å; N111-K120 PolarHBondContact O-N 3.22Å; E118-K120 PolarHBondContact O-N 2.83Å; E118-K120 WeakPolarHBondContact OE2-CE 3.44Å; E118-K120 IonicContact OE2-NZ 3.7Å; E118-K120 PolarHBondContact OE2-NZ 3.11Å; K120-Y122 HydrophobicContact CB-CD2 4.39Å; K120-Y122 HydrophobicContact CB-CE2 3.71Å
121L60.2Low60.3Low40 Ų4088 Ų8821%0.20944%0.442CS..EExtended strand (participates in β ladder)trans-90.8121.7167.6-17471000109Q74 F109 L110 T123Q74-L121 HydrophobicContact CB-CD2 3.23Å; Q74-L121 HydrophobicContact CG-CD2 4.34Å; F109-L121 WeakPolarHBondContact O-CA 3.36Å; L110-L121 HydrophobicContact CB-CD1 4.07Å; L110-L121 HydrophobicContact CD1-CB 4.34Å; L110-L121 HydrophobicContact CD1-CD1 4.45Å; L121-T123 HydrophobicContact CD2-CG2 4.18Å; L121-T123 HydrophobicContact CG-CG2 4.4Å
122Y61.9Low60.2Low120 Ų12086.6 Ų86.647%0.47143%0.434SS..EExtended strand (participates in β ladder)trans-98.6104.6172.8-64.6-90.8000108.4G108 F109 N111 K120G108-Y122 CarbonylContact C-O 3.51Å; G108-Y122 WeakPolarHBondContact CA-O 3.33Å; F109-Y122 HydrophobicContact CD1-CD2 4.11Å; F109-Y122 PolarHBondContact N-O 3.17Å; F109-Y122 PolarHBondContact O-N 3.07Å; N111-Y122 HydrophobicContact CB-CD2 4.27Å; N111-Y122 HydrophobicContact CB-CE2 3.78Å; K120-Y122 HydrophobicContact CB-CD2 4.39Å; K120-Y122 HydrophobicContact CB-CE2 3.71Å
123T63.9Low60.3Low52 Ų5283.7 Ų83.732%0.31942%0.422SS..EExtended strand (participates in β ladder)trans-76.8143.4178.151.70000111.3L121L121-T123 HydrophobicContact CD2-CG2 4.18Å; L121-T123 HydrophobicContact CG-CG2 4.4Å
124F63.2Low60.7Low33 Ų3378.7 Ų78.715%0.14540%0.397CS..  trans-92.8106.8175.3-58.3-58.3000109.8Q106 L107 F109 F126 V127 L172Q106-F124 PolarHBondContact NE2-O 2.74Å; Q106-F124 VanDerWaalsContact NE2-O 3.1Å; L107-F124 HydrophobicContact CB-CD2 4.28Å; L107-F124 PolarHBondContact O-N 3.28Å; F109-F124 HydrophobicContact CB-CE2 4.47Å; F109-F124 HydrophobicContact CB-CZ 3.95Å; F124-F126 HydrophobicContact CB-CD1 4.25Å; F124-F126 HydrophobicContact CB-CE1 3.8Å; F124-F126 HydrophobicContact CB-CE2 4.28Å; F124-F126 HydrophobicContact CB-CZ 3.79Å; F124-F126 AromaticContact CD1-CE1 3.61Å; F124-F126 HydrophobicContact CD1-CE1 3.61Å; F124-F126 AromaticContact CD1-CZ 3.54Å; F124-F126 HydrophobicContact CD1-CZ 3.54Å; F124-F126 HydrophobicContact CE1-CZ 4.3Å; F124-F126 HydrophobicContact CG-CE1 4.05Å; F124-F126 AromaticContact CG-CZ 3.79Å; F124-F126 HydrophobicContact CG-CZ 3.79Å; F124-F126 PolarHBondContact O-N 3.31Å; F124-V127 HydrophobicContact CB-CB 4.29Å; F124-V127 HydrophobicContact CB-CG2 3.64Å; F124-V127 HydrophobicContact CG-CG2 4.37Å; F124-L172 HydrophobicContact CE1-CD2 3.89Å; F124-L172 HydrophobicContact CZ-CD2 4.39Å
125D66.2Low61Low141 Ų14173.3 Ų73.375%0.75438%0.379SS*.THydrogen-bonded Turntrans-70.9-8.1178.5-69.8-14.8000113.7Q106Q106-D125 PolarHBondContact NE2-OD1 3.39Å
126F61.5Low61.3Low54 Ų5468.7 Ų68.724%0.23736%0.356CS..THydrogen-bonded Turntrans-103.22.6-176.459.7-95.8000114.2F124 L172F124-F126 HydrophobicContact CB-CD1 4.25Å; F124-F126 HydrophobicContact CB-CE1 3.8Å; F124-F126 HydrophobicContact CB-CE2 4.28Å; F124-F126 HydrophobicContact CB-CZ 3.79Å; F124-F126 AromaticContact CD1-CE1 3.61Å; F124-F126 HydrophobicContact CD1-CE1 3.61Å; F124-F126 AromaticContact CD1-CZ 3.54Å; F124-F126 HydrophobicContact CD1-CZ 3.54Å; F124-F126 HydrophobicContact CE1-CZ 4.3Å; F124-F126 HydrophobicContact CG-CE1 4.05Å; F124-F126 AromaticContact CG-CZ 3.79Å; F124-F126 HydrophobicContact CG-CZ 3.79Å; F124-F126 PolarHBondContact O-N 3.31Å; F126-L172 HydrophobicContact CE1-CD1 3.94Å; F126-L172 HydrophobicContact CE2-CB 4.08Å; F126-L172 HydrophobicContact CZ-CB 3.78Å; F126-L172 HydrophobicContact CZ-CD1 3.7Å; F126-L172 HydrophobicContact CZ-CD2 4.3Å; F126-L172 HydrophobicContact CZ-CG 4.11Å
127V60.4Low61.5Low11 Ų1166.4 Ų66.47%0.06735%0.35CS..SBendtrans-109.8133.6-180-173.80000108L107 F124 A168L107-V127 HydrophobicContact CB-CG1 4.45Å; L107-V127 HydrophobicContact CD1-CG1 3.62Å; F124-V127 HydrophobicContact CB-CB 4.29Å; F124-V127 HydrophobicContact CB-CG2 3.64Å; F124-V127 HydrophobicContact CG-CG2 4.37Å; V127-A168 HydrophobicContact CB-CB 4.42Å; V127-A168 HydrophobicContact CG1-CB 3.99Å; V127-A168 HydrophobicContact CG2-CB 3.52Å
128D59.6Low61.9Low65 Ų6562.5 Ų62.535%0.34832%0.321SS..  trans-58.2144.2176.5-65.6-25.5000110.4
129S65.2Low61.9Low57 Ų5762.2 Ų62.240%0.39933%0.327SS..  trans-74.5141.8177.2-590000110.2T104 Y105 E131T104-S129 VanDerWaalsContact CG2-CB 3.4Å; Y105-S129 CarbonylContact O-C 3.47Å; Y105-S129 VanDerWaalsContact O-CA 3.3Å; Y105-S129 WeakPolarHBondContact O-CA 3.37Å; Y105-S129 WeakPolarHBondContact O-CB 3.34Å; S129-E131 PolarHBondContact O-N 3.3Å
130L64.4Low61.6Low28 Ų2859.9 Ų59.915%0.14733%0.333CS..EExtended strand (participates in β ladder)trans-82.1115175.2177.971.4000109.6T104 Y105 V132 F152 L161 L164T104-L130 CarbonylContact C-O 3.6Å; T104-L130 WeakPolarHBondContact CA-O 3.5Å; Y105-L130 PolarHBondContact N-O 2.96Å; Y105-L130 PolarHBondContact O-N 3.31Å; L130-V132 HydrophobicContact CD2-CG2 4Å; L130-V132 HydrophobicContact CG-CG2 3.91Å; L130-F152 HydrophobicContact CD2-CE1 4.28Å; L130-L161 HydrophobicContact CD2-CD2 3.55Å; L130-L161 HydrophobicContact CD2-CG 4.38Å; L130-L164 HydrophobicContact CB-CD2 4.05Å
131E65.5Low61.3Low94 Ų9459.9 Ų59.944%0.43934%0.343SS..EExtended strand (participates in β ladder)trans-93.9129.6173.1-63.9-176.4170.700110.6E103 T104 S129E103-E131 CarbonylContact O-C 3.55Å; E103-E131 WeakPolarHBondContact O-CA 3.42Å; T104-E131 HydrophobicContact CG2-CG 4.09Å; S129-E131 PolarHBondContact O-N 3.3Å
132V61.5Low60.8Low7 Ų766.7 Ų66.74%0.04238%0.379CS..EExtended strand (participates in β ladder)trans-128.9125.1-178.5-171.50000109.3H102 E103 Y105 L130 Y134 Y157H102-V132 WeakPolarHBondContact CA-O 3.35Å; E103-V132 PolarHBondContact N-O 3.38Å; E103-V132 PolarHBondContact O-N 3.48Å; Y105-V132 HydrophobicContact CD2-CG2 4.04Å; Y105-V132 HydrophobicContact CE2-CB 4.35Å; Y105-V132 HydrophobicContact CE2-CG2 4.04Å; L130-V132 HydrophobicContact CD2-CG2 4Å; L130-V132 HydrophobicContact CG-CG2 3.91Å; V132-Y134 HydrophobicContact CG1-CD1 4.09Å; V132-Y157 HydrophobicContact CG1-CE1 3.86Å
133T64Low60.3Low48 Ų4864.1 Ų64.129%0.29438%0.383SS..EExtended strand (participates in β ladder)trans-120.5125.1176.5-57.70000110.9T100 I101 H102T100-T133 HydrophobicContact CG2-CG2 3.4Å; I101-T133 CarbonylContact O-C 3.55Å; I101-T133 VanDerWaalsContact O-CA 3.24Å; I101-T133 WeakPolarHBondContact O-CA 3.31Å; H102-T133 PolarHBondContact CD2-OG1 2.96Å; H102-T133 VanDerWaalsContact CE1-CG2 3.43Å; H102-T133 WeakPolarHBondContact CE1-CG2 3.45Å; H102-T133 VanDerWaalsContact NE2-CG2 3.27Å; H102-T133 WeakPolarHBondContact NE2-CG2 3.23Å; H102-T133 PolarHBondContact NE2-OG1 3.46Å
134Y65Low59.8Low8 Ų865.5 Ų65.53%0.03139%0.388CS..EExtended strand (participates in β ladder)trans-146.3145.4-177.159.1-87.3000113I101 E103 V132 V136 L151I101-Y134 HydrophobicContact CB-CD1 4.3Å; I101-Y134 HydrophobicContact CB-CD2 4.05Å; I101-Y134 HydrophobicContact CB-CE1 3.98Å; I101-Y134 HydrophobicContact CB-CE2 3.7Å; I101-Y134 HydrophobicContact CB-CG 4.37Å; I101-Y134 HydrophobicContact CD1-CE2 3.71Å; I101-Y134 HydrophobicContact CG1-CD2 4.48Å; I101-Y134 HydrophobicContact CG1-CE2 4.06Å; I101-Y134 HydrophobicContact CG2-CE1 3.78Å; I101-Y134 HydrophobicContact CG2-CE2 4.05Å; I101-Y134 PolarHBondContact N-O 3.19Å; I101-Y134 PolarHBondContact O-N 3.02Å; E103-Y134 VanDerWaalsContact CD-OH 3.32Å; E103-Y134 HydrophobicContact CG-CE1 4.32Å; E103-Y134 WeakPolarHBondContact OE2-CE1 3.15Å; E103-Y134 PolarHBondContact OE2-OH 3.5Å; V132-Y134 HydrophobicContact CG1-CD1 4.09Å; Y134-V136 HydrophobicContact CD2-CG2 3.55Å; Y134-V136 HydrophobicContact CE2-CG2 3.46Å; Y134-V136 VanDerWaalsContact CE2-CG2 3.46Å; Y134-L151 HydrophobicContact CD1-CB 4.49Å; Y134-L151 HydrophobicContact CD1-CD1 3.59Å; Y134-L151 HydrophobicContact CD1-CD2 4.14Å; Y134-L151 HydrophobicContact CD1-CG 4.31Å; Y134-L151 HydrophobicContact CD2-CD1 3.07Å; Y134-L151 HydrophobicContact CD2-CG 4.39Å; Y134-L151 HydrophobicContact CE1-CB 4.23Å; Y134-L151 HydrophobicContact CE1-CD1 3.59Å; Y134-L151 HydrophobicContact CE1-CG 4.41Å; Y134-L151 HydrophobicContact CE2-CD1 3.06Å; Y134-L151 HydrophobicContact CE2-CG 4.47Å; Y134-L151 HydrophobicContact CG-CD1 3.3Å; Y134-L151 HydrophobicContact CG-CD2 4.02Å; Y134-L151 HydrophobicContact CG-CG 4.26Å
135P63.5Low59.3Low89 Ų8966.8 Ų66.858%0.57840%0.4SS*.EExtended strand (participates in β ladder)trans-81.6142.6174.433-32.8000111.5I98 I99I98-P135 HydrophobicContact CG2-CB 3.79Å; I99-P135 CarbonylContact O-C 3.54Å; I99-P135 WeakPolarHBondContact O-CA 3.31Å
136V63Low58.6Low32 Ų3267.8 Ų67.819%0.19440%0.403CS..EExtended strand (participates in β ladder)trans-127.5124.2172.3179.30000109.6I99 I101 Y134 I138 L148I99-V136 PolarHBondContact N-O 2.95Å; I99-V136 PolarHBondContact O-N 2.79Å; I101-V136 HydrophobicContact CD1-CB 4.04Å; I101-V136 HydrophobicContact CD1-CG2 3.4Å; I101-V136 VanDerWaalsContact CD1-CG2 3.4Å; I101-V136 HydrophobicContact CG1-CB 4.42Å; I101-V136 HydrophobicContact CG1-CG2 3.9Å; Y134-V136 HydrophobicContact CD2-CG2 3.55Å; Y134-V136 HydrophobicContact CE2-CG2 3.46Å; Y134-V136 VanDerWaalsContact CE2-CG2 3.46Å; V136-I138 HydrophobicContact CG1-CG1 4.32Å; V136-L148 HydrophobicContact CB-CD2 4.36Å; V136-L148 HydrophobicContact CG1-CD2 3.79Å; V136-L148 HydrophobicContact CG2-CD2 4.07Å
137S61.7Low58.2Low82 Ų8272 Ų7257%0.57343%0.428SS*.EExtended strand (participates in β ladder)trans-80.7121.9173.1-59.10000110.1
138I62.4Low57.9Low21 Ų2173.2 Ų73.211%0.10843%0.434CS..EExtended strand (participates in β ladder)trans-109.7123175.7-52.8-169000108.6H97 I99 V136 L144H97-I138 PolarHBondContact N-O 3.22Å; H97-I138 PolarHBondContact O-N 3.48Å; I99-I138 HydrophobicContact CB-CD1 4.34Å; I99-I138 HydrophobicContact CD1-CD1 3.35Å; I99-I138 HydrophobicContact CD1-CG1 4.26Å; I99-I138 HydrophobicContact CG1-CD1 3.9Å; I99-I138 HydrophobicContact CG1-CG1 4.33Å; V136-I138 HydrophobicContact CG1-CG1 4.32Å; I138-L144 HydrophobicContact CD1-CD2 3.81Å
139T53.6Low57.4Low100 Ų10074.8 Ų74.861%0.61345%0.448SS*.  trans-70.9136.7166.752.50000108.5S141T139-S141 PolarHBondContact O-N 2.98Å
140S49.7Very low56.9Low97 Ų9775.7 Ų75.768%0.67845%0.453SS*.SBendtrans-52.653.5-169.661.40000117.9
141S50.2Low56.3Low79 Ų7976 Ų7655%0.55245%0.454SS*.  trans-99.5129169.9179.10000107.7T139 A143T139-S141 PolarHBondContact O-N 2.98Å; S141-A143 PolarHBondContact O-N 3.45Å
142D50.2Low55.8Low182 Ų18273.4 Ų73.497%0.97344%0.441SS*.SBendtrans-60.93.6-175.4-68.1-38.2000115.1
143A51Low55.2Low66 Ų6680.7 Ų80.755%0.54548%0.477SS..SBendtrans-119.511417700000111S141S141-A143 PolarHBondContact O-N 3.45Å
144L55Low54.8Low82 Ų8282.8 Ų82.843%0.42948%0.484SS..  trans-50.5131.6160.5-85.6145000108.9Y87 I99 I138 I146Y87-L144 HydrophobicContact CE1-CD1 4.26Å; Y87-L144 HydrophobicContact CE1-CD2 3.95Å; I99-L144 HydrophobicContact CD1-CD2 3.68Å; I138-L144 HydrophobicContact CD1-CD2 3.81Å; L144-I146 PolarHBondContact O-N 3.46Å; L144-I146 VanDerWaalsContact O-N 3.08Å
145P52.5Low54.6Low60 Ų6087.4 Ų87.439%0.3951%0.514SS..  trans-57.2120.5173.7-1828.2000109D147 L148P145-D147 PolarHBondContact O-N 3.45Å; P145-L148 HydrophobicContact CB-CG 4.43Å
146I51.3Low54.6Low161 Ų16189.3 Ų89.383%0.82652%0.516SS*.SBendtrans-62.4-31.3178.4-66.8171.2000109.9L144L144-I146 PolarHBondContact O-N 3.46Å; L144-I146 VanDerWaalsContact O-N 3.08Å
147D53.3Low54.6Low143 Ų14388.6 Ų88.677%0.76551%0.51SS*.SBendtrans-119.286.8179.4-64.4-38000110.5P145P145-D147 PolarHBondContact O-N 3.45Å
148L52.9Low54.7Low36 Ų3687.7 Ų87.719%0.18850%0.503CS..PPolyproline II helixtrans-72133.9163.9-76.6138.7000108.8I101 V136 P145I101-L148 HydrophobicContact CD1-CD1 3.39Å; I101-L148 HydrophobicContact CD1-CD2 3.59Å; I101-L148 HydrophobicContact CD1-CG 3.99Å; V136-L148 HydrophobicContact CB-CD2 4.36Å; V136-L148 HydrophobicContact CG1-CD2 3.79Å; V136-L148 HydrophobicContact CG2-CD2 4.07Å; P145-L148 HydrophobicContact CB-CG 4.43Å
149P50.1Low55Low98 Ų9892.3 Ų92.364%0.63653%0.528SS*.PPolyproline II helixtrans-58.9133.5177.5-1728000109.7L151P149-L151 PolarHBondContact O-N 2.9Å
150P53.9Low55.6Low77 Ų7792 Ų9250%0.552%0.52SS..PPolyproline II helixtrans-58.9129.817323.6-30.6000108.5F152P150-F152 HydrophobicContact CB-CD2 4.15Å; P150-F152 PolarHBondContact O-N 2.98Å
151L52.7Low56.4Low34 Ų3487.9 Ų87.918%0.17849%0.49CS..SBendtrans-64.9-5.4-169.2-137.798.7000115.3Y134 P149 M153 Y157Y134-L151 HydrophobicContact CD1-CB 4.49Å; Y134-L151 HydrophobicContact CD1-CD1 3.59Å; Y134-L151 HydrophobicContact CD1-CD2 4.14Å; Y134-L151 HydrophobicContact CD1-CG 4.31Å; Y134-L151 HydrophobicContact CD2-CD1 3.07Å; Y134-L151 HydrophobicContact CD2-CG 4.39Å; Y134-L151 HydrophobicContact CE1-CB 4.23Å; Y134-L151 HydrophobicContact CE1-CD1 3.59Å; Y134-L151 HydrophobicContact CE1-CG 4.41Å; Y134-L151 HydrophobicContact CE2-CD1 3.06Å; Y134-L151 HydrophobicContact CE2-CG 4.47Å; Y134-L151 HydrophobicContact CG-CD1 3.3Å; Y134-L151 HydrophobicContact CG-CD2 4.02Å; Y134-L151 HydrophobicContact CG-CG 4.26Å; P149-L151 PolarHBondContact O-N 2.9Å; L151-M153 PolarHBondContact O-N 3.31Å; L151-Y157 HydrophobicContact CD2-CD2 4.42Å; L151-Y157 HydrophobicContact CD2-CE2 3.63Å
152F53.7Low57.3Low39 Ų3987.5 Ų87.517%0.17148%0.484CS..THydrogen-bonded Turntrans-69.721.2-175.8-56-58.8000115.3Y73 Y105 L130 P150 L161Y73-F152 HydrophobicContact CD2-CD2 4.25Å; Y73-F152 HydrophobicContact CD2-CE2 4.34Å; Y73-F152 HydrophobicContact CE2-CD2 4.47Å; Y73-F152 HydrophobicContact CG-CE2 4.24Å; Y105-F152 AromaticContact CD1-CE2 3.58Å; Y105-F152 HydrophobicContact CD1-CE2 3.58Å; Y105-F152 AromaticContact CD1-CZ 3.51Å; Y105-F152 HydrophobicContact CD1-CZ 3.51Å; Y105-F152 HydrophobicContact CD2-CE1 4.32Å; Y105-F152 HydrophobicContact CD2-CE2 4.28Å; Y105-F152 AromaticContact CD2-CZ 3.5Å; Y105-F152 HydrophobicContact CD2-CZ 3.5Å; Y105-F152 VanDerWaalsContact CD2-CZ 3.5Å; Y105-F152 HydrophobicContact CE1-CD2 4.36Å; Y105-F152 AromaticContact CE1-CE2 3.17Å; Y105-F152 HydrophobicContact CE1-CE2 3.17Å; Y105-F152 AromaticContact CE1-CZ 3.44Å; Y105-F152 HydrophobicContact CE1-CZ 3.44Å; Y105-F152 VanDerWaalsContact CE1-CZ 3.44Å; Y105-F152 HydrophobicContact CE2-CE1 4.21Å; Y105-F152 AromaticContact CE2-CE2 3.93Å; Y105-F152 HydrophobicContact CE2-CE2 3.93Å; Y105-F152 AromaticContact CE2-CZ 3.42Å; Y105-F152 HydrophobicContact CE2-CZ 3.42Å; Y105-F152 VanDerWaalsContact CE2-CZ 3.42Å; Y105-F152 HydrophobicContact CG-CE2 4.1Å; Y105-F152 AromaticContact CG-CZ 3.53Å; Y105-F152 HydrophobicContact CG-CZ 3.53Å; Y105-F152 AromaticContact CZ-CE2 3.34Å; Y105-F152 AromaticContact CZ-CZ 3.37Å; L130-F152 HydrophobicContact CD2-CE1 4.28Å; P150-F152 HydrophobicContact CB-CD2 4.15Å; P150-F152 PolarHBondContact O-N 2.98Å; F152-L161 HydrophobicContact CB-CD1 4.44Å; F152-L161 HydrophobicContact CD1-CD1 3.29Å; F152-L161 HydrophobicContact CD1-CG 4.28Å; F152-L161 HydrophobicContact CE1-CD1 3.57Å; F152-L161 HydrophobicContact CE1-CD2 3.98Å; F152-L161 HydrophobicContact CE1-CG 4.15Å; F152-L161 HydrophobicContact CG-CD1 4.01Å; F152-L161 HydrophobicContact CZ-CD1 4.44Å
153M48.7Very low58.4Low161 Ų16181.7 Ų81.779%0.79346%0.462SS*.THydrogen-bonded Turntrans-92.1-13.3175.8-64.8-68.9-74.600112.6L151L151-M153 PolarHBondContact O-N 3.31Å
154E56.4Low59.3Low92 Ų9280.1 Ų80.143%0.4344%0.444SS..SBendtrans-86.1133.2176.4-65.2-176.8166.500111.4E156 Y157E154-E156 PolarHBondContact O-N 3.46Å; E154-E156 VanDerWaalsContact O-N 3.1Å; E154-Y157 HydrophobicContact CB-CD2 3.97Å; E154-Y157 HydrophobicContact CB-CE2 4.43Å; E154-Y157 PolarHBondContact O-N 2.86Å; E154-Y157 VanDerWaalsContact O-N 3.11Å
155P60.5Low59.9Low104 Ų10477.8 Ų77.868%0.67544%0.436SS*.Hα-helixtrans-54.3-33.5-175.8-2531.9000114.2Y157 S158 D159P155-Y157 VanDerWaalsContact C-N 3.27Å; P155-Y157 PolarHBondContact O-N 3.42Å; P155-S158 WeakPolarHBondContact O-CB 3.28Å; P155-S158 PolarHBondContact O-N 3.24Å; P155-S158 VanDerWaalsContact O-N 3.1Å; P155-D159 PolarHBondContact O-N 3.15Å
156E64.2Low61Low130 Ų13079 Ų7961%0.60744%0.439SS*.Hα-helixtrans-63.5-31.7-177.4-62.4173.6-172.400112.5E154 Q160E154-E156 PolarHBondContact O-N 3.46Å; E154-E156 VanDerWaalsContact O-N 3.1Å; E156-Q160 WeakPolarHBondContact O-CG 3.47Å; E156-Q160 PolarHBondContact O-N 3.21Å
157Y62.6Low62.2Low17 Ų1775.1 Ų75.17%0.06742%0.42CS..Hα-helixtrans-79.4-27.9175.5-69.8-80.5000112.5M1 V132 L151 E154 P155 D159 Q160 L161M1-Y157 WeakPolarHBondContact CE-OH 3.32Å; V132-Y157 HydrophobicContact CG1-CE1 3.86Å; L151-Y157 HydrophobicContact CD2-CD2 4.42Å; L151-Y157 HydrophobicContact CD2-CE2 3.63Å; E154-Y157 HydrophobicContact CB-CD2 3.97Å; E154-Y157 HydrophobicContact CB-CE2 4.43Å; E154-Y157 PolarHBondContact O-N 2.86Å; E154-Y157 VanDerWaalsContact O-N 3.11Å; P155-Y157 VanDerWaalsContact C-N 3.27Å; P155-Y157 PolarHBondContact O-N 3.42Å; Y157-D159 VanDerWaalsContact C-N 3.34Å; Y157-Q160 PolarHBondContact O-N 2.91Å; Y157-L161 VanDerWaalsContact O-CB 3.31Å; Y157-L161 WeakPolarHBondContact O-CB 3.38Å; Y157-L161 WeakPolarHBondContact O-CD1 3.42Å; Y157-L161 WeakPolarHBondContact O-CG 3.4Å; Y157-L161 PolarHBondContact O-N 2.92Å
158S63.8Low62.9Low62 Ų6268.4 Ų68.443%0.43438%0.384SS..Hα-helixtrans-62.8-42.8175.8-1790000111.2P155 L161 T162P155-S158 WeakPolarHBondContact O-CB 3.28Å; P155-S158 PolarHBondContact O-N 3.24Å; P155-S158 VanDerWaalsContact O-N 3.1Å; S158-L161 PolarHBondContact O-N 2.82Å; S158-T162 VanDerWaalsContact O-CB 3.32Å; S158-T162 WeakPolarHBondContact O-CB 3.43Å; S158-T162 PolarHBondContact O-N 3.25Å; S158-T162 PolarHBondContact O-OG1 3.13Å
159D67.9Low64Low119 Ų11970.6 Ų70.664%0.63640%0.396SS*.Hα-helixtrans-66.4-42178-73-16.7000111.5P155 Y157 T162 A163P155-D159 PolarHBondContact O-N 3.15Å; Y157-D159 VanDerWaalsContact C-N 3.34Å; D159-T162 PolarHBondContact O-N 2.9Å; D159-A163 WeakPolarHBondContact O-CB 3.39Å; D159-A163 PolarHBondContact O-N 3.04Å
160Q67.7Low65.5Low94 Ų9471 Ų7144%0.43939%0.393SS..Hα-helixtrans-63.4-44.9175.8-70.1176.720.700112.3E156 Y157 T162 A163 L164E156-Q160 WeakPolarHBondContact O-CG 3.47Å; E156-Q160 PolarHBondContact O-N 3.21Å; Y157-Q160 PolarHBondContact O-N 2.91Å; Q160-T162 VanDerWaalsContact C-N 3.34Å; Q160-A163 PolarHBondContact O-N 3.36Å; Q160-L164 WeakPolarHBondContact O-CB 3.39Å; Q160-L164 PolarHBondContact O-N 3.01Å
161L66Low66.6Low10 Ų1070.2 Ų70.25%0.05238%0.383CS..Hα-helixtrans-63.7-40.9176.6-76.1167.8000111.8Y73 L130 F152 Y157 S158 L164 A165Y73-L161 HydrophobicContact CE1-CD1 4.31Å; Y73-L161 HydrophobicContact CE1-CD2 4Å; Y73-L161 VanDerWaalsContact OH-CD1 3.29Å; Y73-L161 WeakPolarHBondContact OH-CD1 3.46Å; L130-L161 HydrophobicContact CD2-CD2 3.55Å; L130-L161 HydrophobicContact CD2-CG 4.38Å; F152-L161 HydrophobicContact CB-CD1 4.44Å; F152-L161 HydrophobicContact CD1-CD1 3.29Å; F152-L161 HydrophobicContact CD1-CG 4.28Å; F152-L161 HydrophobicContact CE1-CD1 3.57Å; F152-L161 HydrophobicContact CE1-CD2 3.98Å; F152-L161 HydrophobicContact CE1-CG 4.15Å; F152-L161 HydrophobicContact CG-CD1 4.01Å; F152-L161 HydrophobicContact CZ-CD1 4.44Å; Y157-L161 VanDerWaalsContact O-CB 3.31Å; Y157-L161 WeakPolarHBondContact O-CB 3.38Å; Y157-L161 WeakPolarHBondContact O-CD1 3.42Å; Y157-L161 WeakPolarHBondContact O-CG 3.4Å; Y157-L161 PolarHBondContact O-N 2.92Å; S158-L161 PolarHBondContact O-N 2.82Å; L161-L164 PolarHBondContact O-N 2.83Å; L161-A165 VanDerWaalsContact O-CB 3.28Å; L161-A165 WeakPolarHBondContact O-CB 3.46Å; L161-A165 PolarHBondContact O-N 3.16Å
162T69.3Low67.7Low71 Ų7170.8 Ų70.844%0.43639%0.386SS..Hα-helixtrans-65.4-42177-57.60000110.9S158 D159 Q160 A165 N166S158-T162 VanDerWaalsContact O-CB 3.32Å; S158-T162 WeakPolarHBondContact O-CB 3.43Å; S158-T162 PolarHBondContact O-N 3.25Å; S158-T162 PolarHBondContact O-OG1 3.13Å; D159-T162 PolarHBondContact O-N 2.9Å; Q160-T162 VanDerWaalsContact C-N 3.34Å; T162-A165 PolarHBondContact O-N 3.21Å; T162-N166 WeakPolarHBondContact O-CB 3.47Å; T162-N166 VanDerWaalsContact O-CG 3.29Å; T162-N166 PolarHBondContact O-N 3.32Å; T162-N166 PolarHBondContact O-ND2 2.96Å
163A72.2Confident68.9Low60 Ų6072.4 Ų72.450%0.49640%0.398SS..Hα-helixtrans-61.9-45.4174.700000111.8D159 Q160 N166 D167D159-A163 WeakPolarHBondContact O-CB 3.39Å; D159-A163 PolarHBondContact O-N 3.04Å; Q160-A163 PolarHBondContact O-N 3.36Å; A163-N166 PolarHBondContact O-N 3.31Å; A163-D167 WeakPolarHBondContact O-CB 3.31Å; A163-D167 PolarHBondContact O-N 3.19Å
164L70.4Confident70.5Confident33 Ų3370.5 Ų70.517%0.17339%0.388CS..Hα-helixtrans-65.1-40.4177.9-16475.1000111.9L107 L130 Q160 L161 D167 A168L107-L164 HydrophobicContact CD1-CB 4.06Å; L107-L164 HydrophobicContact CD1-CD2 3.36Å; L107-L164 HydrophobicContact CD1-CG 3.39Å; L107-L164 HydrophobicContact CG-CD2 4.07Å; L130-L164 HydrophobicContact CB-CD2 4.05Å; Q160-L164 WeakPolarHBondContact O-CB 3.39Å; Q160-L164 PolarHBondContact O-N 3.01Å; L161-L164 PolarHBondContact O-N 2.83Å; L164-D167 PolarHBondContact O-N 2.93Å; L164-A168 VanDerWaalsContact O-CB 3.3Å; L164-A168 WeakPolarHBondContact O-CB 3.47Å; L164-A168 PolarHBondContact O-N 3.43Å
165A67.9Low71.6Confident32 Ų3272.3 Ų72.326%0.26439%0.391SS..Hα-helixtrans-64.9-43.1175.200000111.9L107 L161 T162 A168 L169L107-A165 HydrophobicContact CD2-CB 4.24Å; L161-A165 VanDerWaalsContact O-CB 3.28Å; L161-A165 WeakPolarHBondContact O-CB 3.46Å; L161-A165 PolarHBondContact O-N 3.16Å; T162-A165 PolarHBondContact O-N 3.21Å; A165-A168 PolarHBondContact O-N 2.99Å; A165-L169 WeakPolarHBondContact O-CB 3.39Å; A165-L169 VanDerWaalsContact O-CG 3.26Å; A165-L169 WeakPolarHBondContact O-CG 3.39Å; A165-L169 PolarHBondContact O-N 2.7Å
166N75.3Confident72.5Confident86 Ų8671.1 Ų71.146%0.4638%0.378SS..Hα-helixtrans-64.7-41.7176.1-77.3-30.6000111.9T162 A163 L169 N170T162-N166 WeakPolarHBondContact O-CB 3.47Å; T162-N166 VanDerWaalsContact O-CG 3.29Å; T162-N166 PolarHBondContact O-N 3.32Å; T162-N166 PolarHBondContact O-ND2 2.96Å; A163-N166 PolarHBondContact O-N 3.31Å; N166-L169 PolarHBondContact O-N 3.41Å; N166-N170 WeakPolarHBondContact O-CB 3.08Å; N166-N170 PolarHBondContact O-N 3.34Å; N166-N170 PolarHBondContact O-ND2 3.43Å
167D77.5Confident73.6Confident80 Ų8068.9 Ų68.943%0.42837%0.37SS..Hα-helixtrans-62.3-46.5175.1-172.464.5000111.2A163 L164 L169 N170 Q171A163-D167 WeakPolarHBondContact O-CB 3.31Å; A163-D167 PolarHBondContact O-N 3.19Å; L164-D167 PolarHBondContact O-N 2.93Å; D167-L169 VanDerWaalsContact C-N 3.34Å; D167-L169 PolarHBondContact O-N 2.89Å; D167-N170 PolarHBondContact O-N 2.92Å; D167-Q171 WeakPolarHBondContact O-CG 3.42Å; D167-Q171 PolarHBondContact O-N 3.34Å; D167-Q171 PolarHBondContact OD2-NE2 3.36Å
168A68Low74.6Confident1 Ų172.7 Ų72.71%0.00839%0.391CS..Hα-helixtrans-57.2-44174.200000112.9L107 V127 L164 A165 Q171 L172L107-A168 HydrophobicContact CD1-CB 4.21Å; V127-A168 HydrophobicContact CB-CB 4.42Å; V127-A168 HydrophobicContact CG1-CB 3.99Å; V127-A168 HydrophobicContact CG2-CB 3.52Å; L164-A168 VanDerWaalsContact O-CB 3.3Å; L164-A168 WeakPolarHBondContact O-CB 3.47Å; L164-A168 PolarHBondContact O-N 3.43Å; A165-A168 PolarHBondContact O-N 2.99Å; A168-Q171 PolarHBondContact O-N 3.19Å; A168-L172 WeakPolarHBondContact O-CB 3.16Å; A168-L172 PolarHBondContact O-N 3.3Å
169L75.5Confident75.5Confident82 Ų8277.1 Ų77.143%0.42940%0.399SS..Hα-helixtrans-66.6-39177-73.6172.7000111.9A165 N166 D167 L172 T173A165-L169 WeakPolarHBondContact O-CB 3.39Å; A165-L169 VanDerWaalsContact O-CG 3.26Å; A165-L169 WeakPolarHBondContact O-CG 3.39Å; A165-L169 PolarHBondContact O-N 2.7Å; N166-L169 PolarHBondContact O-N 3.41Å; D167-L169 VanDerWaalsContact C-N 3.34Å; D167-L169 PolarHBondContact O-N 2.89Å; L169-L172 PolarHBondContact O-N 3.04Å; L169-T173 VanDerWaalsContact O-CB 3.3Å; L169-T173 WeakPolarHBondContact O-CB 3.3Å; L169-T173 PolarHBondContact O-N 2.96Å; L169-T173 PolarHBondContact O-OG1 2.05Å
170N80.8Confident76.4Confident106 Ų10675.2 Ų75.257%0.56739%0.388SS*.Hα-helixtrans-64.6-45.1174.9-74.4-29.1000111.3N166 D167 L172 T173 Q174N166-N170 WeakPolarHBondContact O-CB 3.08Å; N166-N170 PolarHBondContact O-N 3.34Å; N166-N170 PolarHBondContact O-ND2 3.43Å; D167-N170 PolarHBondContact O-N 2.92Å; N170-L172 PolarHBondContact O-N 3.3Å; N170-T173 PolarHBondContact O-N 3.47Å; N170-Q174 WeakPolarHBondContact O-CB 3.49Å; N170-Q174 PolarHBondContact O-N 3.09Å
171Q77.9Confident77.4Confident62 Ų6274.1 Ų74.129%0.2939%0.387SS..Hα-helixtrans-61.6-43.9175.2-71.2-171.245.500111.8D167 A168 Q174 R175D167-Q171 WeakPolarHBondContact O-CG 3.42Å; D167-Q171 PolarHBondContact O-N 3.34Å; D167-Q171 PolarHBondContact OD2-NE2 3.36Å; A168-Q171 PolarHBondContact O-N 3.19Å; Q171-Q174 PolarHBondContact O-N 3.39Å; Q171-R175 WeakPolarHBondContact O-CG 3.36Å; Q171-R175 PolarHBondContact O-N 3.41Å
172L75.7Confident78.3Confident46 Ų4675.4 Ų75.424%0.24140%0.4CS..Hα-helixtrans-61.4-46.3175.9-179.659000111.1F124 F126 A168 L169 N170 Q174 R175 I176F124-L172 HydrophobicContact CE1-CD2 3.89Å; F124-L172 HydrophobicContact CZ-CD2 4.39Å; F126-L172 HydrophobicContact CE1-CD1 3.94Å; F126-L172 HydrophobicContact CE2-CB 4.08Å; F126-L172 HydrophobicContact CZ-CB 3.78Å; F126-L172 HydrophobicContact CZ-CD1 3.7Å; F126-L172 HydrophobicContact CZ-CD2 4.3Å; F126-L172 HydrophobicContact CZ-CG 4.11Å; A168-L172 WeakPolarHBondContact O-CB 3.16Å; A168-L172 PolarHBondContact O-N 3.3Å; L169-L172 PolarHBondContact O-N 3.04Å; N170-L172 PolarHBondContact O-N 3.3Å; L172-Q174 VanDerWaalsContact C-N 3.34Å; L172-Q174 PolarHBondContact O-N 3.21Å; L172-R175 PolarHBondContact O-N 3.09Å; L172-I176 HydrophobicContact CD1-CD1 4.03Å; L172-I176 HydrophobicContact CD1-CG1 4.27Å; L172-I176 HydrophobicContact CG-CD1 3.9Å; L172-I176 VanDerWaalsContact O-CG1 3.31Å; L172-I176 WeakPolarHBondContact O-CG1 2.93Å; L172-I176 PolarHBondContact O-N 3.48Å
173T77.8Confident78.9Confident72 Ų7274 Ų7444%0.44239%0.393SS..Hα-helixtrans-59.9-45.3177.9-59.50000110.9L169 N170 R175 I176 N177L169-T173 VanDerWaalsContact O-CB 3.3Å; L169-T173 WeakPolarHBondContact O-CB 3.3Å; L169-T173 PolarHBondContact O-N 2.96Å; L169-T173 PolarHBondContact O-OG1 2.05Å; N170-T173 PolarHBondContact O-N 3.47Å; T173-R175 PolarHBondContact O-N 3.42Å; T173-I176 PolarHBondContact O-N 3.48Å; T173-N177 WeakPolarHBondContact O-CB 3.32Å; T173-N177 VanDerWaalsContact O-CG 3.29Å; T173-N177 PolarHBondContact O-N 2.88Å; T173-N177 PolarHBondContact O-ND2 3.47Å
174Q83.9Confident79.5Confident121 Ų12176.9 Ų76.957%0.56540%0.396SS*.Hα-helixtrans-62-42.4176.4-172.1179.6400111.8N170 Q171 L172 N177 N178N170-Q174 WeakPolarHBondContact O-CB 3.49Å; N170-Q174 PolarHBondContact O-N 3.09Å; Q171-Q174 PolarHBondContact O-N 3.39Å; L172-Q174 VanDerWaalsContact C-N 3.34Å; L172-Q174 PolarHBondContact O-N 3.21Å; Q174-N177 PolarHBondContact O-N 3.19Å; Q174-N178 WeakPolarHBondContact O-CB 3.5Å; Q174-N178 PolarHBondContact O-N 3.1Å; Q174-N178 PolarHBondContact O-OD1 3.17Å
175R78.3Confident80.3Confident131 Ų13180 Ų8049%0.49441%0.409SS..Hα-helixtrans-63.9-42.3176.1-73.7179.5-175.6-155.35.9112.4Q171 L172 T173 N178 W179Q171-R175 WeakPolarHBondContact O-CG 3.36Å; Q171-R175 PolarHBondContact O-N 3.41Å; L172-R175 PolarHBondContact O-N 3.09Å; T173-R175 PolarHBondContact O-N 3.42Å; R175-N178 PolarHBondContact O-N 2.97Å; R175-W179 WeakPolarHBondContact O-CB 3.43Å; R175-W179 PolarHBondContact O-N 3.05Å
176I79.4Confident81.2Confident78 Ų7880.1 Ų80.140%0.441%0.408SS..Hα-helixtrans-62.9-45.2176-69.1169.5000110L172 T173 W179 L180L172-I176 HydrophobicContact CD1-CD1 4.03Å; L172-I176 HydrophobicContact CD1-CG1 4.27Å; L172-I176 HydrophobicContact CG-CD1 3.9Å; L172-I176 VanDerWaalsContact O-CG1 3.31Å; L172-I176 WeakPolarHBondContact O-CG1 2.93Å; L172-I176 PolarHBondContact O-N 3.48Å; T173-I176 PolarHBondContact O-N 3.48Å; I176-W179 WeakPolarHBondContact O-CB 3.19Å; I176-W179 PolarHBondContact O-N 3.26Å; I176-L180 HydrophobicContact CG2-CD1 4.03Å; I176-L180 HydrophobicContact CG2-CG 4.4Å; I176-L180 WeakPolarHBondContact O-CG 3.37Å; I176-L180 PolarHBondContact O-N 2.91Å
177N87.9Confident81.5Confident84 Ų8480.7 Ų80.745%0.44941%0.411SS..Hα-helixtrans-61.2-46.8176.8-74.3-23.5000111.9T173 Q174 W179 L180 V181T173-N177 WeakPolarHBondContact O-CB 3.32Å; T173-N177 VanDerWaalsContact O-CG 3.29Å; T173-N177 PolarHBondContact O-N 2.88Å; T173-N177 PolarHBondContact O-ND2 3.47Å; Q174-N177 PolarHBondContact O-N 3.19Å; N177-W179 VanDerWaalsContact C-N 3.28Å; N177-W179 PolarHBondContact O-N 3.25Å; N177-L180 PolarHBondContact O-N 3.45Å; N177-V181 WeakPolarHBondContact O-CG2 3.45Å; N177-V181 PolarHBondContact O-N 2.94Å
178N84.5Confident81.9Confident96 Ų9683.5 Ų83.551%0.51342%0.422SS..Hα-helixtrans-60.3-40.4176.3-69.4-9000111.6Q174 R175 A182Q174-N178 WeakPolarHBondContact O-CB 3.5Å; Q174-N178 PolarHBondContact O-N 3.1Å; Q174-N178 PolarHBondContact O-OD1 3.17Å; R175-N178 PolarHBondContact O-N 2.97Å; N178-A182 WeakPolarHBondContact O-CB 3.45Å; N178-A182 PolarHBondContact O-N 2.98Å
179W81.8Confident82.8Confident156 Ų15689.6 Ų89.659%0.59145%0.448SS*.Hα-helixtrans-64.5-44.2175.9175.867.6000112R175 I176 N177 V181 A182 C183R175-W179 WeakPolarHBondContact O-CB 3.43Å; R175-W179 PolarHBondContact O-N 3.05Å; I176-W179 WeakPolarHBondContact O-CB 3.19Å; I176-W179 PolarHBondContact O-N 3.26Å; N177-W179 VanDerWaalsContact C-N 3.28Å; N177-W179 PolarHBondContact O-N 3.25Å; W179-V181 PolarHBondContact O-N 3.18Å; W179-A182 PolarHBondContact O-N 3.37Å; W179-C183 PolarHBondContact O-N 3.32Å; W179-C183 PolarHBondContact O-SG 3.47Å; W179-C183 VanDerWaalsContact O-SG 3.4Å
180L85.7Confident83.3Confident79 Ų7990.1 Ų90.141%0.41445%0.451SS..Hα-helixtrans-61.7-43.1176.5-73171.6000112.1I176 N177 C183 Q184I176-L180 HydrophobicContact CG2-CD1 4.03Å; I176-L180 HydrophobicContact CG2-CG 4.4Å; I176-L180 WeakPolarHBondContact O-CG 3.37Å; I176-L180 PolarHBondContact O-N 2.91Å; N177-L180 PolarHBondContact O-N 3.45Å; L180-C183 WeakPolarHBondContact O-CB 3.22Å; L180-C183 PolarHBondContact O-N 2.98Å; L180-Q184 WeakPolarHBondContact O-CG 3.43Å; L180-Q184 PolarHBondContact O-N 2.74Å
181V88.8Confident83.5Confident70 Ų7088.4 Ų88.442%0.42444%0.444SS..Hα-helixtrans-62-45.7175.1172.80000110.7N177 W179 C183 Q184 E185N177-V181 WeakPolarHBondContact O-CG2 3.45Å; N177-V181 PolarHBondContact O-N 2.94Å; W179-V181 PolarHBondContact O-N 3.18Å; V181-C183 VanDerWaalsContact C-N 3.3Å; V181-C183 PolarHBondContact O-N 3.34Å; V181-Q184 WeakPolarHBondContact O-CB 3.38Å; V181-Q184 PolarHBondContact O-N 2.98Å; V181-Q184 VanDerWaalsContact O-N 3.17Å; V181-E185 WeakPolarHBondContact O-CG 3.38Å; V181-E185 PolarHBondContact O-N 3.12Å
182A85.4Confident83.9Confident37 Ų3790.9 Ų90.931%0.30646%0.459SS..Hα-helixtrans-62.4-36.117700000112.8N178 W179 S186N178-A182 WeakPolarHBondContact O-CB 3.45Å; N178-A182 PolarHBondContact O-N 2.98Å; W179-A182 PolarHBondContact O-N 3.37Å; A182-S186 WeakPolarHBondContact O-CB 3.37Å; A182-S186 PolarHBondContact O-N 2.92Å
183C82.9Confident84.5Confident43 Ų4396.7 Ų96.729%0.29148%0.478SS..Hα-helixtrans-63.7-46.3172.5-75.90000111.7W179 L180 V181 S186 D187W179-C183 PolarHBondContact O-N 3.32Å; W179-C183 PolarHBondContact O-SG 3.47Å; W179-C183 VanDerWaalsContact O-SG 3.4Å; L180-C183 WeakPolarHBondContact O-CB 3.22Å; L180-C183 PolarHBondContact O-N 2.98Å; V181-C183 VanDerWaalsContact C-N 3.3Å; V181-C183 PolarHBondContact O-N 3.34Å; C183-S186 WeakPolarHBondContact O-CB 3.32Å; C183-S186 PolarHBondContact O-N 3.36Å; C183-D187 PolarHBondContact O-N 2.99Å
184Q85.1Confident85.1Confident120 Ų12097.8 Ų97.856%0.56147%0.474SS*.Hα-helixtrans-59.6-48.7176.9-72.8173.7-19.900111.8L180 V181 S186 D187 E188L180-Q184 WeakPolarHBondContact O-CG 3.43Å; L180-Q184 PolarHBondContact O-N 2.74Å; V181-Q184 WeakPolarHBondContact O-CB 3.38Å; V181-Q184 PolarHBondContact O-N 2.98Å; V181-Q184 VanDerWaalsContact O-N 3.17Å; Q184-S186 VanDerWaalsContact C-N 3.27Å; Q184-S186 PolarHBondContact O-N 3.42Å; Q184-D187 PolarHBondContact O-N 3.4Å; Q184-E188 WeakPolarHBondContact O-CG 3.28Å; Q184-E188 PolarHBondContact O-N 3.48Å
185E86.4Confident85.3Confident97 Ų9794 Ų9445%0.45346%0.456SS..Hα-helixtrans-60.4-37177-71.5-177.4-17300112.5V181 K189V181-E185 WeakPolarHBondContact O-CG 3.38Å; V181-E185 PolarHBondContact O-N 3.12Å; E185-K189 WeakPolarHBondContact O-CB 3.01Å; E185-K189 VanDerWaalsContact O-CG 3.27Å; E185-K189 WeakPolarHBondContact O-CG 3.23Å; E185-K189 PolarHBondContact O-N 3.48Å
186S85.9Confident85.9Confident36 Ų3692.8 Ų92.825%0.25246%0.457SS..Hα-helixtrans-65.2-44.4175.4-174.60000112.1A182 C183 Q184 K189 L190A182-S186 WeakPolarHBondContact O-CB 3.37Å; A182-S186 PolarHBondContact O-N 2.92Å; C183-S186 WeakPolarHBondContact O-CB 3.32Å; C183-S186 PolarHBondContact O-N 3.36Å; Q184-S186 VanDerWaalsContact C-N 3.27Å; Q184-S186 PolarHBondContact O-N 3.42Å; S186-K189 PolarHBondContact O-N 2.89Å; S186-L190 WeakPolarHBondContact O-CB 3.47Å; S186-L190 PolarHBondContact O-N 2.87Å
187D83.2Confident86.5Confident97 Ų9791.2 Ų91.252%0.51945%0.454SS..Hα-helixtrans-66.5-39.1-180-74.9-16.5000111.6C183 Q184 L190 T191C183-D187 PolarHBondContact O-N 2.99Å; Q184-D187 PolarHBondContact O-N 3.4Å; D187-L190 PolarHBondContact O-N 3.03Å; D187-T191 VanDerWaalsContact O-CB 3.29Å; D187-T191 WeakPolarHBondContact O-CB 3.38Å; D187-T191 PolarHBondContact O-N 3.38Å; D187-T191 PolarHBondContact O-OG1 2.76Å
188E84.2Confident86.6Confident139 Ų13987.2 Ų87.265%0.6543%0.432SS*.Hα-helixtrans-62.7-47.7173.4-72.8-179.918000111.8Q184 L190 T191 L192Q184-E188 WeakPolarHBondContact O-CG 3.28Å; Q184-E188 PolarHBondContact O-N 3.48Å; E188-L190 VanDerWaalsContact C-N 3.35Å; E188-L190 PolarHBondContact O-N 2.91Å; E188-T191 PolarHBondContact O-N 3.26Å; E188-L192 WeakPolarHBondContact O-CB 3.42Å; E188-L192 PolarHBondContact O-N 3.22Å
189K86.9Confident86.9Confident129 Ų12985.1 Ų85.156%0.56142%0.419SS*.Hα-helixtrans-60.1-43.9176.4-76170.3-176.6164.10111.7E185 S186 L192 W193E185-K189 WeakPolarHBondContact O-CB 3.01Å; E185-K189 VanDerWaalsContact O-CG 3.27Å; E185-K189 WeakPolarHBondContact O-CG 3.23Å; E185-K189 PolarHBondContact O-N 3.48Å; S186-K189 PolarHBondContact O-N 2.89Å; K189-L192 PolarHBondContact O-N 2.94Å; K189-W193 WeakPolarHBondContact O-CB 3.5Å; K189-W193 PolarHBondContact O-N 3.4Å
190L87.1Confident87.3Confident93 Ų9386.1 Ų86.149%0.48742%0.423SS..Hα-helixtrans-63.7-43177.2179.761.5000111.3S186 D187 E188 W193 R194S186-L190 WeakPolarHBondContact O-CB 3.47Å; S186-L190 PolarHBondContact O-N 2.87Å; D187-L190 PolarHBondContact O-N 3.03Å; E188-L190 VanDerWaalsContact C-N 3.35Å; E188-L190 PolarHBondContact O-N 2.91Å; L190-W193 HydrophobicContact CD1-CE3 4.39Å; L190-W193 PolarHBondContact O-N 2.97Å; L190-R194 VanDerWaalsContact O-CG 3.31Å; L190-R194 WeakPolarHBondContact O-CG 3.38Å; L190-R194 PolarHBondContact O-N 3.08Å
191T83.7Confident87.7Confident70 Ų7084 Ų8443%0.42942%0.417SS..Hα-helixtrans-61.5-50.6177.7-60.80000110.6D187 E188 W193 R194 H195D187-T191 VanDerWaalsContact O-CB 3.29Å; D187-T191 WeakPolarHBondContact O-CB 3.38Å; D187-T191 PolarHBondContact O-N 3.38Å; D187-T191 PolarHBondContact O-OG1 2.76Å; E188-T191 PolarHBondContact O-N 3.26Å; T191-W193 VanDerWaalsContact C-N 3.32Å; T191-W193 PolarHBondContact O-N 3.38Å; T191-R194 PolarHBondContact O-N 3.44Å; T191-H195 PolarHBondContact O-CD2 3.06Å; T191-H195 VanDerWaalsContact O-CD2 3.25Å; T191-H195 PolarHBondContact O-N 3.05Å; T191-H195 VanDerWaalsContact O-N 3.07Å
192L86.6Confident87.8Confident115 Ų11580.7 Ų80.760%0.60240%0.397SS*.Hα-helixtrans-57.5-45176.5-179.363.5000111.8E188 K189 R194 H195 M196E188-L192 WeakPolarHBondContact O-CB 3.42Å; E188-L192 PolarHBondContact O-N 3.22Å; K189-L192 PolarHBondContact O-N 2.94Å; L192-R194 PolarHBondContact O-N 3.33Å; L192-H195 PolarHBondContact O-N 3.4Å; L192-M196 HydrophobicContact CD1-CG 4.22Å; L192-M196 HydrophobicContact CG-CG 4.43Å; L192-M196 WeakPolarHBondContact O-CG 3.29Å; L192-M196 PolarHBondContact O-N 2.96Å
193W89.8Confident88.1Confident167 Ų16779.7 Ų79.763%0.63339%0.389SS*.Hα-helixtrans-59.5-44.5177.6179.587.5000112.1K189 L190 T191 H195 M196 S197K189-W193 WeakPolarHBondContact O-CB 3.5Å; K189-W193 PolarHBondContact O-N 3.4Å; L190-W193 HydrophobicContact CD1-CE3 4.39Å; L190-W193 PolarHBondContact O-N 2.97Å; T191-W193 VanDerWaalsContact C-N 3.32Å; T191-W193 PolarHBondContact O-N 3.38Å; W193-H195 PolarHBondContact O-N 3.45Å; W193-M196 PolarHBondContact O-N 3.43Å; W193-S197 VanDerWaalsContact O-CB 3.28Å; W193-S197 WeakPolarHBondContact O-CB 3.31Å; W193-S197 PolarHBondContact O-N 2.77Å
194R89.5Confident88.6Confident95 Ų9581.5 Ų81.536%0.35839%0.393SS..Hα-helixtrans-60-46176.8-72.5174.967-165.2-2.4111.7L190 T191 L192 A198 D269 P270L190-R194 VanDerWaalsContact O-CG 3.31Å; L190-R194 WeakPolarHBondContact O-CG 3.38Å; L190-R194 PolarHBondContact O-N 3.08Å; T191-R194 PolarHBondContact O-N 3.44Å; L192-R194 PolarHBondContact O-N 3.33Å; R194-A198 WeakPolarHBondContact O-CB 3.48Å; R194-A198 PolarHBondContact O-N 2.98Å; R194-D269 IonicContact NH2-OD1 2.98Å; R194-P270 HydrophobicContact CB-CG 4.21Å
195H88.6Confident89.1Confident42 Ų4276 Ų7619%0.19437%0.367CS..Hα-helixtrans-63.1-45.7177.5-82.4-86.4000112.7T191 L192 W193 A198 H199 V264 C267T191-H195 PolarHBondContact O-CD2 3.06Å; T191-H195 VanDerWaalsContact O-CD2 3.25Å; T191-H195 PolarHBondContact O-N 3.05Å; T191-H195 VanDerWaalsContact O-N 3.07Å; L192-H195 PolarHBondContact O-N 3.4Å; W193-H195 PolarHBondContact O-N 3.45Å; H195-A198 PolarHBondContact O-N 3.08Å; H195-H199 VanDerWaalsContact O-CB 3.29Å; H195-H199 WeakPolarHBondContact O-CB 3.37Å; H195-H199 PolarHBondContact O-N 3.2Å; H195-V264 PolarHBondContact ND1-O 2.69Å; H195-C267 PolarHBondContact CE1-O 3.19Å
196M90.5Very high89.4Confident105 Ų10571.5 Ų71.552%0.51735%0.346SS..Hα-helixtrans-64.7-41.7179.7-71.7-61.9-68.600112L192 W193 R200L192-M196 HydrophobicContact CD1-CG 4.22Å; L192-M196 HydrophobicContact CG-CG 4.43Å; L192-M196 WeakPolarHBondContact O-CG 3.29Å; L192-M196 PolarHBondContact O-N 2.96Å; W193-M196 PolarHBondContact O-N 3.43Å; M196-R200 WeakPolarHBondContact O-CB 3.29Å; M196-R200 PolarHBondContact O-N 2.99Å
197S91.2Very high89.8Confident46 Ų4675.1 Ų75.132%0.32236%0.355SS..Hα-helixtrans-62.7-48.9176.7-1720000111.4W193 H199 R200 A201W193-S197 VanDerWaalsContact O-CB 3.28Å; W193-S197 WeakPolarHBondContact O-CB 3.31Å; W193-S197 PolarHBondContact O-N 2.77Å; S197-H199 PolarHBondContact O-N 3.23Å; S197-R200 PolarHBondContact O-N 2.99Å; S197-A201 PolarHBondContact O-N 3.33Å
198A90.6Very high90.2Very high0 Ų071.2 Ų71.20%033%0.334CS..Hα-helixtrans-65.9-38.3178.900000112.8R194 H195 A201 S202 V264 P270 L274R194-A198 WeakPolarHBondContact O-CB 3.48Å; R194-A198 PolarHBondContact O-N 2.98Å; H195-A198 PolarHBondContact O-N 3.08Å; A198-A201 PolarHBondContact O-N 2.95Å; A198-S202 VanDerWaalsContact O-CB 3.29Å; A198-S202 WeakPolarHBondContact O-CB 3.38Å; A198-S202 PolarHBondContact O-N 3.41Å; A198-V264 HydrophobicContact CB-CG1 3.82Å; A198-P270 HydrophobicContact CB-CB 3.66Å; A198-L274 HydrophobicContact CB-CD2 4.34Å
199H90.5Very high90.7Very high51 Ų5164.7 Ų64.724%0.23630%0.303CS..Hα-helixtrans-62.6-45.5175.3-179.867.6000111.5H195 S197 A201 S202 A203H195-H199 VanDerWaalsContact O-CB 3.29Å; H195-H199 WeakPolarHBondContact O-CB 3.37Å; H195-H199 PolarHBondContact O-N 3.2Å; S197-H199 PolarHBondContact O-N 3.23Å; H199-A201 PolarHBondContact O-N 3.21Å; H199-S202 PolarHBondContact O-N 2.85Å; H199-A203 WeakPolarHBondContact O-CB 3.4Å; H199-A203 PolarHBondContact O-N 3.47Å
200R91.5Very high91Very high177 Ų17758.7 Ų58.767%0.66828%0.278SS*.Hα-helixtrans-59.4-47.3175.5-177.7-179-77125.8-6.1111.3M196 S197 S202 A203 E204M196-R200 WeakPolarHBondContact O-CB 3.29Å; M196-R200 PolarHBondContact O-N 2.99Å; S197-R200 PolarHBondContact O-N 2.99Å; R200-S202 VanDerWaalsContact C-N 3.32Å; R200-S202 PolarHBondContact O-N 2.77Å; R200-A203 PolarHBondContact O-N 2.89Å; R200-E204 WeakPolarHBondContact O-CB 3.39Å; R200-E204 PolarHBondContact O-N 3.25Å
201A92.2Very high91.2Very high35 Ų3558 Ų5829%0.28927%0.268SS..Hα-helixtrans-63.4-37.2178.100000112.6S197 A198 H199 L205 L274S197-A201 PolarHBondContact O-N 3.33Å; A198-A201 PolarHBondContact O-N 2.95Å; H199-A201 PolarHBondContact O-N 3.21Å; A201-L205 WeakPolarHBondContact O-CB 3.24Å; A201-L205 PolarHBondContact O-N 2.93Å; A201-L274 HydrophobicContact CB-CD1 4.14Å; A201-L274 HydrophobicContact CB-CD2 3.71Å
202S91.9Very high91.5Very high0 Ų054.7 Ų54.70%025%0.248CC..Hα-helixtrans-66.7-44.9176173.40000112.4A198 H199 R200 L205 R206 L277A198-S202 VanDerWaalsContact O-CB 3.29Å; A198-S202 WeakPolarHBondContact O-CB 3.38Å; A198-S202 PolarHBondContact O-N 3.41Å; H199-S202 PolarHBondContact O-N 2.85Å; R200-S202 VanDerWaalsContact C-N 3.32Å; R200-S202 PolarHBondContact O-N 2.77Å; S202-L205 PolarHBondContact O-N 3.25Å; S202-R206 WeakPolarHBondContact O-CB 3.43Å; S202-R206 VanDerWaalsContact O-CG 3.32Å; S202-R206 WeakPolarHBondContact O-CG 3.36Å; S202-R206 PolarHBondContact O-N 3.39Å; S202-R206 PolarHBondContact OG-NE 3.04Å; S202-R206 PolarHBondContact OG-NH1 3.34Å; S202-R206 PolarHBondContact OG-NH2 3.02Å; S202-L277 WeakPolarHBondContact OG-CD2 3.5Å
203A92Very high91.8Very high17 Ų1749.8 Ų49.814%0.1422%0.222CC..Hα-helixtrans-63.2-42.5178.100000111.6H199 R200 R206 Y207 Q228H199-A203 WeakPolarHBondContact O-CB 3.4Å; H199-A203 PolarHBondContact O-N 3.47Å; R200-A203 PolarHBondContact O-N 2.89Å; A203-R206 PolarHBondContact O-N 2.95Å; A203-Y207 WeakPolarHBondContact O-CB 3.39Å; A203-Y207 PolarHBondContact O-N 3Å; A203-Q228 HydrophobicContact CB-CG 4.45Å
204E93.8Very high91.8Very high81 Ų8144.2 Ų44.238%0.37921%0.205SC..Hα-helixtrans-60.6-49.4175-178.757.3-151.900111.3R200 R206 Y207 Q208R200-E204 WeakPolarHBondContact O-CB 3.39Å; R200-E204 PolarHBondContact O-N 3.25Å; E204-R206 VanDerWaalsContact C-N 3.32Å; E204-R206 PolarHBondContact O-N 3.45Å; E204-Y207 PolarHBondContact O-N 2.92Å; E204-Q208 WeakPolarHBondContact O-CG 3.48Å; E204-Q208 PolarHBondContact O-N 3Å; E204-Q208 VanDerWaalsContact OE1-CG 3.24Å; E204-Q208 WeakPolarHBondContact OE1-CG 3.38Å; E204-Q208 PolarHBondContact OE1-NE2 3.37Å
205L94.2Very high91.8Very high5 Ų541.2 Ų41.23%0.02620%0.196CC..Hα-helixtrans-61.2-40.9-179.7-178.359000112.2A201 S202 T209 L277 R278 V281 L304 V305 I308A201-L205 WeakPolarHBondContact O-CB 3.24Å; A201-L205 PolarHBondContact O-N 2.93Å; S202-L205 PolarHBondContact O-N 3.25Å; L205-T209 WeakPolarHBondContact O-CB 3.23Å; L205-T209 PolarHBondContact O-N 3.19Å; L205-T209 PolarHBondContact O-OG1 3.07Å; L205-L277 HydrophobicContact CD2-CD2 4.23Å; L205-L277 HydrophobicContact CD2-CG 3.95Å; L205-R278 HydrophobicContact CD2-CB 4.48Å; L205-R278 HydrophobicContact CD2-CG 3.83Å; L205-V281 HydrophobicContact CD1-CG1 4.05Å; L205-V281 HydrophobicContact CD1-CG2 4.5Å; L205-V281 HydrophobicContact CD2-CG2 4.21Å; L205-V281 HydrophobicContact CG-CG2 4.11Å; L205-L304 HydrophobicContact CD1-CD2 3.67Å; L205-L304 HydrophobicContact CD1-CG 3.91Å; L205-L304 HydrophobicContact CD2-CD2 3.91Å; L205-L304 HydrophobicContact CG-CD2 4.45Å; L205-V305 HydrophobicContact CD1-CG2 4.18Å; L205-I308 HydrophobicContact CD1-CD1 3.61Å
206R93.6Very high91.8Very high2 Ų241.7 Ų41.71%0.00820%0.2CC..Hα-helixtrans-63-46.8174.5-75.2165.5-175.6156.92.7111.8S202 A203 E204 T209 L210 P227 Q228 V232 D233 F236 L277S202-R206 WeakPolarHBondContact O-CB 3.43Å; S202-R206 VanDerWaalsContact O-CG 3.32Å; S202-R206 WeakPolarHBondContact O-CG 3.36Å; S202-R206 PolarHBondContact O-N 3.39Å; S202-R206 PolarHBondContact OG-NE 3.04Å; S202-R206 PolarHBondContact OG-NH1 3.34Å; S202-R206 PolarHBondContact OG-NH2 3.02Å; A203-R206 PolarHBondContact O-N 2.95Å; E204-R206 VanDerWaalsContact C-N 3.32Å; E204-R206 PolarHBondContact O-N 3.45Å; R206-T209 PolarHBondContact O-N 3.49Å; R206-L210 WeakPolarHBondContact O-CB 3.18Å; R206-L210 VanDerWaalsContact O-CG 3.31Å; R206-L210 WeakPolarHBondContact O-CG 3.43Å; R206-L210 PolarHBondContact O-N 3.3Å; R206-P227 HydrophobicContact CB-CB 4.27Å; R206-P227 WeakPolarHBondContact CD-O 3.28Å; R206-P227 PolarHBondContact NH1-O 3.37Å; R206-Q228 PolarHBondContact NH1-O 2.88Å; R206-V232 HydrophobicContact CB-CG1 4Å; R206-V232 HydrophobicContact CG-CB 4.19Å; R206-V232 HydrophobicContact CG-CG1 3.91Å; R206-D233 IonicContact CZ-OD1 2.94Å; R206-D233 IonicContact CZ-OD2 3.72Å; R206-D233 IonicContact NE-OD1 3.39Å; R206-D233 PolarHBondContact NE-OD1 3.4Å; R206-D233 IonicContact NE-OD2 3.47Å; R206-D233 IonicContact NH2-OD1 3.62Å; R206-D233 PolarHBondContact NH2-OD1 2.91Å; R206-D233 IonicContact NH2-OD2 2.74Å; R206-D233 PolarHBondContact NH2-OD2 2.9Å; R206-F236 HydrophobicContact CB-CE2 4.48Å; R206-F236 HydrophobicContact CG-CE2 4.06Å; R206-L277 HydrophobicContact CG-CD2 4.16Å
207Y93.5Very high91.6Very high111 Ų11141.5 Ų41.544%0.43520%0.197SC..Hα-helixtrans-58.4-49.7179.3173.6-102.6000111.3A203 E204 T209 L210 R211 P227A203-Y207 WeakPolarHBondContact O-CB 3.39Å; A203-Y207 PolarHBondContact O-N 3Å; E204-Y207 PolarHBondContact O-N 2.92Å; Y207-T209 VanDerWaalsContact C-N 3.34Å; Y207-T209 PolarHBondContact O-N 3.09Å; Y207-L210 PolarHBondContact O-N 2.89Å; Y207-R211 WeakPolarHBondContact O-CB 3.34Å; Y207-R211 PolarHBondContact O-N 3.06Å; Y207-P227 HydrophobicContact CD2-CG 4.01Å
208Q93.1Very high91Very high15 Ų1544.2 Ų44.27%0.0721%0.214CC..Hα-helixtrans-64.6-39.4180-64.3-66.4100112.1E204 R211 L212 V305 I308 D309E204-Q208 WeakPolarHBondContact O-CG 3.48Å; E204-Q208 PolarHBondContact O-N 3Å; E204-Q208 VanDerWaalsContact OE1-CG 3.24Å; E204-Q208 WeakPolarHBondContact OE1-CG 3.38Å; E204-Q208 PolarHBondContact OE1-NE2 3.37Å; Q208-R211 WeakPolarHBondContact O-CB 3.47Å; Q208-R211 PolarHBondContact O-N 3.26Å; Q208-L212 PolarHBondContact O-N 3.45Å; Q208-V305 HydrophobicContact CG-CG1 4.28Å; Q208-I308 HydrophobicContact CB-CB 4.47Å; Q208-I308 HydrophobicContact CB-CG2 3.82Å; Q208-I308 WeakPolarHBondContact O-CG2 3.42Å; Q208-D309 PolarHBondContact OE1-OD1 2.84Å
209T93Very high90.5Very high2 Ų251.9 Ų51.91%0.01225%0.249CC..Hα-helixtrans-65.9-42.8176.9-53.30000111.5L205 R206 Y207 R211 L212 L213 F236 V281 L284L205-T209 WeakPolarHBondContact O-CB 3.23Å; L205-T209 PolarHBondContact O-N 3.19Å; L205-T209 PolarHBondContact O-OG1 3.07Å; R206-T209 PolarHBondContact O-N 3.49Å; Y207-T209 VanDerWaalsContact C-N 3.34Å; Y207-T209 PolarHBondContact O-N 3.09Å; T209-R211 VanDerWaalsContact C-N 3.33Å; T209-R211 PolarHBondContact O-N 2.89Å; T209-L212 PolarHBondContact O-N 3.5Å; T209-L213 WeakPolarHBondContact O-CG 3.35Å; T209-L213 PolarHBondContact O-N 3.37Å; T209-F236 HydrophobicContact CG2-CD1 4.25Å; T209-F236 HydrophobicContact CG2-CE1 3.67Å; T209-F236 HydrophobicContact CG2-CE2 4Å; T209-F236 HydrophobicContact CG2-CZ 3.52Å; T209-V281 HydrophobicContact CG2-CG1 4.17Å; T209-V281 HydrophobicContact CG2-CG2 4.39Å; T209-V281 VanDerWaalsContact OG1-CG1 3.32Å; T209-V281 WeakPolarHBondContact OG1-CG1 3.29Å; T209-L284 HydrophobicContact CG2-CD2 4.09Å
210L93.4Very high90.2Very high4 Ų451.1 Ų51.12%0.02125%0.245CC..Hα-helixtrans-62-40.3174.9-77.3172.2000112.1R206 Y207 L213 N214 F220 H222 F225 P227 V232 L235 F236R206-L210 WeakPolarHBondContact O-CB 3.18Å; R206-L210 VanDerWaalsContact O-CG 3.31Å; R206-L210 WeakPolarHBondContact O-CG 3.43Å; R206-L210 PolarHBondContact O-N 3.3Å; Y207-L210 PolarHBondContact O-N 2.89Å; L210-L213 PolarHBondContact O-N 2.94Å; L210-N214 PolarHBondContact O-N 3.4Å; L210-F220 HydrophobicContact CD2-CE1 3.76Å; L210-F220 HydrophobicContact CD2-CZ 3.63Å; L210-H222 HydrophobicContact CB-CB 4.22Å; L210-F225 HydrophobicContact CD1-CB 3.89Å; L210-F225 HydrophobicContact CD2-CB 4.21Å; L210-F225 HydrophobicContact CD2-CD2 4.19Å; L210-F225 HydrophobicContact CD2-CG 4.37Å; L210-P227 HydrophobicContact CD1-CG 4.39Å; L210-V232 HydrophobicContact CD1-CG1 3.94Å; L210-V232 HydrophobicContact CD1-CG2 4.22Å; L210-V232 HydrophobicContact CD2-CG1 4.22Å; L210-V232 HydrophobicContact CG-CG1 4.04Å; L210-L235 HydrophobicContact CD2-CD2 4.01Å; L210-F236 HydrophobicContact CD2-CE1 4.07Å; L210-F236 HydrophobicContact CG-CE1 4.2Å; L210-F236 HydrophobicContact CG-CZ 4.22Å
211R91.1Very high89.6Confident77 Ų7747.8 Ų47.829%0.29124%0.237SC..Hα-helixtrans-61.7-44.9174.6177.3178.3165.4-130.2-2.2111.5Y207 Q208 T209 N214 I215 D309Y207-R211 WeakPolarHBondContact O-CB 3.34Å; Y207-R211 PolarHBondContact O-N 3.06Å; Q208-R211 WeakPolarHBondContact O-CB 3.47Å; Q208-R211 PolarHBondContact O-N 3.26Å; T209-R211 VanDerWaalsContact C-N 3.33Å; T209-R211 PolarHBondContact O-N 2.89Å; R211-N214 PolarHBondContact O-N 3.45Å; R211-I215 HydrophobicContact CG-CD1 4.43Å; R211-I215 WeakPolarHBondContact O-CG1 3.47Å; R211-I215 PolarHBondContact O-N 2.74Å; R211-D309 IonicContact NH1-OD1 2.69Å; R211-D309 PolarHBondContact NH1-OD1 3.4Å
212L91.9Very high89Confident2 Ų248.6 Ų48.61%0.0124%0.235CC..Hα-helixtrans-62.1-44.7175179.665000111.8Q208 T209 N214 I215 L216 L285 I308 A311Q208-L212 PolarHBondContact O-N 3.45Å; T209-L212 PolarHBondContact O-N 3.5Å; L212-N214 VanDerWaalsContact C-N 3.25Å; L212-N214 PolarHBondContact O-N 2.97Å; L212-I215 WeakPolarHBondContact O-CB 3.45Å; L212-I215 PolarHBondContact O-N 2.88Å; L212-L216 HydrophobicContact CD1-CD1 4.2Å; L212-L216 HydrophobicContact CD1-CG 4.15Å; L212-L216 HydrophobicContact CD2-CD1 4.41Å; L212-L216 HydrophobicContact CG-CD1 3.94Å; L212-L216 HydrophobicContact CG-CG 4.29Å; L212-L216 WeakPolarHBondContact O-CG 3.36Å; L212-L216 PolarHBondContact O-N 2.91Å; L212-L285 HydrophobicContact CD2-CD2 3.19Å; L212-I308 HydrophobicContact CB-CG2 4.06Å; L212-I308 HydrophobicContact CD2-CG2 4.29Å; L212-A311 HydrophobicContact CD1-CB 4.03Å; L212-A311 HydrophobicContact CD2-CB 4.35Å
213L92.3Very high88.3Confident11 Ų1154.1 Ų54.16%0.05827%0.269CS..Hα-helixtrans-57.1-39.6176.7-74.3171.5000112.2T209 L210 I215 L216 E217 F220 F236 I239 L288T209-L213 WeakPolarHBondContact O-CG 3.35Å; T209-L213 PolarHBondContact O-N 3.37Å; L210-L213 PolarHBondContact O-N 2.94Å; L213-I215 VanDerWaalsContact C-N 3.31Å; L213-I215 PolarHBondContact O-N 3.46Å; L213-L216 PolarHBondContact O-N 2.98Å; L213-E217 PolarHBondContact O-N 3.36Å; L213-F220 HydrophobicContact CB-CD1 3.64Å; L213-F220 HydrophobicContact CB-CE1 3.61Å; L213-F220 HydrophobicContact CB-CG 4.29Å; L213-F220 HydrophobicContact CB-CZ 4.25Å; L213-F220 HydrophobicContact CD1-CE1 4.1Å; L213-F220 HydrophobicContact CD1-CZ 3.99Å; L213-F236 HydrophobicContact CD1-CD1 4.16Å; L213-F236 HydrophobicContact CD1-CE1 3.89Å; L213-I239 HydrophobicContact CD1-CD1 3.8Å; L213-I239 HydrophobicContact CD2-CD1 4.3Å; L213-L288 HydrophobicContact CD2-CD1 3.53Å
214N90Very high87.9Confident51 Ų5160.6 Ų60.627%0.27329%0.294SS..Hα-helixtrans-67.3-29.7175.9-176.390.4000113.5L210 R211 L212 E217 F220 H222L210-N214 PolarHBondContact O-N 3.4Å; R211-N214 PolarHBondContact O-N 3.45Å; L212-N214 VanDerWaalsContact C-N 3.25Å; L212-N214 PolarHBondContact O-N 2.97Å; N214-E217 CarbonylContact O-C 3.36Å; N214-F220 HydrophobicContact CB-CD1 4.26Å; N214-F220 PolarHBondContact OD1-O 3.32Å; N214-H222 HydrophobicContact CB-CB 4.03Å; N214-H222 WeakPolarHBondContact CB-ND1 3.33Å; N214-H222 PolarHBondContact OD1-ND1 2.95Å
215I89.1Confident87.6Confident32 Ų3260.1 Ų60.116%0.16429%0.291CS..Hα-helixtrans-74.1-42.1175.1-66.9165.1000110.1R211 L212 L213 C312 N315 L316R211-I215 HydrophobicContact CG-CD1 4.43Å; R211-I215 WeakPolarHBondContact O-CG1 3.47Å; R211-I215 PolarHBondContact O-N 2.74Å; L212-I215 WeakPolarHBondContact O-CB 3.45Å; L212-I215 PolarHBondContact O-N 2.88Å; L213-I215 VanDerWaalsContact C-N 3.31Å; L213-I215 PolarHBondContact O-N 3.46Å; I215-C312 HydrophobicContact CD1-CB 3.57Å; I215-N315 HydrophobicContact CG2-CB 3.61Å; I215-L316 HydrophobicContact CD1-CD1 3.82Å; I215-L316 HydrophobicContact CD1-CD2 4.26Å; I215-L316 HydrophobicContact CD1-CG 3.92Å; I215-L316 HydrophobicContact CG1-CD2 4.1Å; I215-L316 HydrophobicContact CG1-CG 4.27Å; I215-L316 HydrophobicContact CG2-CD2 4.22Å; I215-L316 HydrophobicContact CG2-CG 4.18Å
216L88.6Confident87.3Confident52 Ų5264 Ų6427%0.27231%0.312SS..Hα-helixtrans-73.2-35.8-178.7-65176.5000112.8L212 L213 L288 L289 N315L212-L216 HydrophobicContact CD1-CD1 4.2Å; L212-L216 HydrophobicContact CD1-CG 4.15Å; L212-L216 HydrophobicContact CD2-CD1 4.41Å; L212-L216 HydrophobicContact CG-CD1 3.94Å; L212-L216 HydrophobicContact CG-CG 4.29Å; L212-L216 WeakPolarHBondContact O-CG 3.36Å; L212-L216 PolarHBondContact O-N 2.91Å; L213-L216 PolarHBondContact O-N 2.98Å; L216-L288 HydrophobicContact CD1-CB 4.12Å; L216-L288 HydrophobicContact CD1-CD1 4.22Å; L216-L289 HydrophobicContact CD1-CD2 4.4Å; L216-L289 HydrophobicContact CD2-CD2 4.13Å; L216-N315 HydrophobicContact CD2-CB 4.44Å
217E87.1Confident87Confident101 Ų10165.4 Ų65.447%0.47232%0.321SS..  trans-126.896.4178.5-179.157.6-146.100109.2L213 N214 H219 F220L213-E217 PolarHBondContact O-N 3.36Å; N214-E217 CarbonylContact O-C 3.36Å; E217-H219 PolarHBondContact O-N 3.17Å; E217-H219 IonicContact OE1-CD2 3.41Å; E217-H219 PolarHBondContact OE1-CD2 2.94Å; E217-H219 IonicContact OE1-CG 3.87Å; E217-F220 HydrophobicContact CB-CB 4.06Å; E217-F220 HydrophobicContact CG-CB 4.1Å; E217-F220 WeakPolarHBondContact O-CB 3.25Å; E217-F220 PolarHBondContact O-N 3.04Å
218P78.5Confident86.8Confident102 Ų10265.9 Ų65.966%0.66233%0.327SS*.THydrogen-bonded Turntrans-60.1-19.4-175.6-2735.6000114.8F220P218-F220 VanDerWaalsContact C-N 3.32Å
219H80.2Confident86.4Confident161 Ų16166.4 Ų66.475%0.74533%0.332SS*.THydrogen-bonded Turntrans-83.2-8.2174.6-59.9-55.8000113.4E217 Q221E217-H219 PolarHBondContact O-N 3.17Å; E217-H219 IonicContact OE1-CD2 3.41Å; E217-H219 PolarHBondContact OE1-CD2 2.94Å; E217-H219 IonicContact OE1-CG 3.87Å; H219-Q221 PolarHBondContact O-N 2.98Å; H219-Q221 VanDerWaalsContact O-N 3.16Å
220F83.5Confident85.9Confident35 Ų3567.7 Ų67.715%0.15434%0.34CS..  trans-75.4101.6177.5-178.4-103000110.9L210 L213 N214 E217 P218 H222 F225 L235L210-F220 HydrophobicContact CD2-CE1 3.76Å; L210-F220 HydrophobicContact CD2-CZ 3.63Å; L213-F220 HydrophobicContact CB-CD1 3.64Å; L213-F220 HydrophobicContact CB-CE1 3.61Å; L213-F220 HydrophobicContact CB-CG 4.29Å; L213-F220 HydrophobicContact CB-CZ 4.25Å; L213-F220 HydrophobicContact CD1-CE1 4.1Å; L213-F220 HydrophobicContact CD1-CZ 3.99Å; N214-F220 HydrophobicContact CB-CD1 4.26Å; N214-F220 PolarHBondContact OD1-O 3.32Å; E217-F220 HydrophobicContact CB-CB 4.06Å; E217-F220 HydrophobicContact CG-CB 4.1Å; E217-F220 WeakPolarHBondContact O-CB 3.25Å; E217-F220 PolarHBondContact O-N 3.04Å; P218-F220 VanDerWaalsContact C-N 3.32Å; F220-H222 VanDerWaalsContact C-N 3.29Å; F220-H222 HydrophobicContact CD1-CB 3.93Å; F220-H222 HydrophobicContact CE1-CB 3.67Å; F220-H222 PolarHBondContact O-N 3.23Å; F220-F225 AromaticContact CE2-CE2 3.91Å; F220-F225 HydrophobicContact CE2-CE2 3.91Å; F220-F225 HydrophobicContact CZ-CD2 4.05Å; F220-F225 AromaticContact CZ-CE2 3.84Å; F220-F225 HydrophobicContact CZ-CE2 3.84Å; F220-L235 HydrophobicContact CE2-CD2 4.01Å; F220-L235 HydrophobicContact CZ-CD2 3.76Å
221Q79.7Confident85.5Confident108 Ų10871.8 Ų71.851%0.50536%0.362SS..  trans-77.375-179.8-66.5176.8-11.600111.8H219 T223 K224H219-Q221 PolarHBondContact O-N 2.98Å; H219-Q221 VanDerWaalsContact O-N 3.16Å; Q221-T223 PolarHBondContact O-N 3.3Å; Q221-T223 VanDerWaalsContact O-N 3.11Å; Q221-K224 HydrophobicContact CB-CD 4.03Å; Q221-K224 HydrophobicContact CB-CG 4.24Å; Q221-K224 WeakPolarHBondContact O-CB 3.44Å; Q221-K224 PolarHBondContact O-N 3.18Å; Q221-K224 VanDerWaalsContact O-N 3.11Å
222H79.1Confident85.4Confident51 Ų5168.1 Ų68.124%0.23635%0.349CS..G310 helixtrans-55.4-29.3-178.270.5-75.4000114.1L210 N214 F220 K224 F225L210-H222 HydrophobicContact CB-CB 4.22Å; N214-H222 HydrophobicContact CB-CB 4.03Å; N214-H222 WeakPolarHBondContact CB-ND1 3.33Å; N214-H222 PolarHBondContact OD1-ND1 2.95Å; F220-H222 VanDerWaalsContact C-N 3.29Å; F220-H222 HydrophobicContact CD1-CB 3.93Å; F220-H222 HydrophobicContact CE1-CB 3.67Å; F220-H222 PolarHBondContact O-N 3.23Å; H222-K224 PolarHBondContact O-N 3.28Å; H222-K224 VanDerWaalsContact O-N 3.1Å; H222-F225 PolarHBondContact O-N 2.98Å; H222-F225 VanDerWaalsContact O-N 3.07Å
223T77.5Confident85.3Confident116 Ų11668.6 Ų68.671%0.71235%0.351SS*.G310 helixtrans-63.4-13.5179.354.80000114.2Q221 F225Q221-T223 PolarHBondContact O-N 3.3Å; Q221-T223 VanDerWaalsContact O-N 3.11Å; T223-F225 VanDerWaalsContact C-N 3.3Å
224K82.6Confident85Confident153 Ų15371.5 Ų71.567%0.66536%0.363SS*.G310 helixtrans-78.1-14174.6-71.8-178.6164.1172.60113.7Q221 H222Q221-K224 HydrophobicContact CB-CD 4.03Å; Q221-K224 HydrophobicContact CB-CG 4.24Å; Q221-K224 WeakPolarHBondContact O-CB 3.44Å; Q221-K224 PolarHBondContact O-N 3.18Å; Q221-K224 VanDerWaalsContact O-N 3.11Å; H222-K224 PolarHBondContact O-N 3.28Å; H222-K224 VanDerWaalsContact O-N 3.1Å
225F86.9Confident85Confident72 Ų7270.5 Ų70.532%0.31636%0.358SS..SBendtrans-107128.6-175.9-61.2-78.1000110.2L210 F220 H222 T223 P227 V232 L235L210-F225 HydrophobicContact CD1-CB 3.89Å; L210-F225 HydrophobicContact CD2-CB 4.21Å; L210-F225 HydrophobicContact CD2-CD2 4.19Å; L210-F225 HydrophobicContact CD2-CG 4.37Å; F220-F225 AromaticContact CE2-CE2 3.91Å; F220-F225 HydrophobicContact CE2-CE2 3.91Å; F220-F225 HydrophobicContact CZ-CD2 4.05Å; F220-F225 AromaticContact CZ-CE2 3.84Å; F220-F225 HydrophobicContact CZ-CE2 3.84Å; H222-F225 PolarHBondContact O-N 2.98Å; H222-F225 VanDerWaalsContact O-N 3.07Å; T223-F225 VanDerWaalsContact C-N 3.3Å; F225-P227 VanDerWaalsContact O-CD 3.31Å; F225-P227 WeakPolarHBondContact O-CD 3.45Å; F225-V232 HydrophobicContact CB-CG2 4.21Å; F225-L235 HydrophobicContact CD1-CD2 3.89Å; F225-L235 HydrophobicContact CD2-CD2 3.93Å; F225-L235 HydrophobicContact CE1-CD1 4.34Å; F225-L235 HydrophobicContact CE1-CD2 3.66Å; F225-L235 HydrophobicContact CE1-CG 4.43Å; F225-L235 HydrophobicContact CE2-CD2 3.69Å; F225-L235 HydrophobicContact CG-CD2 4.03Å; F225-L235 HydrophobicContact CZ-CD1 4.06Å; F225-L235 HydrophobicContact CZ-CD2 3.55Å; F225-L235 HydrophobicContact CZ-CG 4.39Å
226D88.5Confident85.2Confident87 Ų8769 Ų6947%0.46535%0.35SS..  trans-79.5114.7171.7173.214.1000109.7Q228 S229 V232D226-Q228 PolarHBondContact O-N 3.44Å; D226-Q228 VanDerWaalsContact O-N 3.13Å; D226-Q228 WeakPolarHBondContact OD1-CB 3.33Å; D226-Q228 PolarHBondContact OD1-N 3.14Å; D226-S229 VanDerWaalsContact O-CB 3.23Å; D226-S229 WeakPolarHBondContact O-CB 3.29Å; D226-S229 PolarHBondContact O-N 2.96Å; D226-V232 WeakPolarHBondContact O-CG2 3.49Å
227P88.5Confident85.2Confident30 Ų3067.3 Ų67.320%0.19534%0.343CS..THydrogen-bonded Turntrans-60.7-20.3178.1-20.633.2000113.7R206 Y207 L210 F225 S229R206-P227 HydrophobicContact CB-CB 4.27Å; R206-P227 WeakPolarHBondContact CD-O 3.28Å; R206-P227 PolarHBondContact NH1-O 3.37Å; Y207-P227 HydrophobicContact CD2-CG 4.01Å; L210-P227 HydrophobicContact CD1-CG 4.39Å; F225-P227 VanDerWaalsContact O-CD 3.31Å; F225-P227 WeakPolarHBondContact O-CD 3.45Å; P227-S229 VanDerWaalsContact C-N 3.27Å
228Q87.7Confident85.2Confident122 Ų12268.5 Ų68.557%0.5734%0.344SS*.THydrogen-bonded Turntrans-76.7-19.4175.5-56.4-175.44.300111.8A203 R206 D226A203-Q228 HydrophobicContact CB-CG 4.45Å; R206-Q228 PolarHBondContact NH1-O 2.88Å; D226-Q228 PolarHBondContact O-N 3.44Å; D226-Q228 VanDerWaalsContact O-N 3.13Å; D226-Q228 WeakPolarHBondContact OD1-CB 3.33Å; D226-Q228 PolarHBondContact OD1-N 3.14Å
229S85.8Confident85.8Confident26 Ų2665 Ų6518%0.18232%0.319CS..SBendtrans-79.8134.1-175.7-170.40000112.7D226 P227 N231 V232D226-S229 VanDerWaalsContact O-CB 3.23Å; D226-S229 WeakPolarHBondContact O-CB 3.29Å; D226-S229 PolarHBondContact O-N 2.96Å; P227-S229 VanDerWaalsContact C-N 3.27Å; S229-N231 PolarHBondContact O-N 2.88Å; S229-N231 VanDerWaalsContact O-N 3.15Å; S229-N231 PolarHBondContact OG-N 2.87Å; S229-N231 PolarHBondContact OG-ND2 2.9Å; S229-V232 WeakPolarHBondContact O-CG2 3.36Å; S229-V232 PolarHBondContact O-N 3.23Å
230P81.5Confident86.2Confident28 Ų2858.3 Ų58.318%0.18229%0.289CS..THydrogen-bonded Turntrans-65.9-12.2171.531.1-38.2000113V232 D233 V263P230-V232 PolarHBondContact O-N 3.38Å; P230-D233 WeakPolarHBondContact O-CB 3.49Å; P230-D233 PolarHBondContact O-N 3.37Å; P230-D233 VanDerWaalsContact O-N 3.11Å; P230-V263 HydrophobicContact CB-CG1 4.26Å; P230-V263 HydrophobicContact CB-CG2 4.1Å; P230-V263 HydrophobicContact CG-CB 4.42Å; P230-V263 HydrophobicContact CG-CG1 4.02Å; P230-V263 HydrophobicContact CG-CG2 3.76Å
231N85.2Confident86.4Confident90 Ų9061.2 Ų61.248%0.48130%0.299SS..Hα-helixtrans-64.5-22.8174.6-71-30.6000112.4S229 D233 K234 L235S229-N231 PolarHBondContact O-N 2.88Å; S229-N231 VanDerWaalsContact O-N 3.15Å; S229-N231 PolarHBondContact OG-N 2.87Å; S229-N231 PolarHBondContact OG-ND2 2.9Å; N231-D233 VanDerWaalsContact C-N 3.26Å; N231-D233 PolarHBondContact O-N 3.25Å; N231-K234 WeakPolarHBondContact O-CB 3.44Å; N231-K234 PolarHBondContact O-N 3.38Å; N231-K234 PolarHBondContact OD1-NZ 3.49Å; N231-L235 PolarHBondContact O-N 3.44Å; N231-L235 VanDerWaalsContact O-N 3.09Å
232V89.9Confident86.7Confident1 Ų159.1 Ų59.11%0.00629%0.294CS..Hα-helixtrans-63-35.7172.9-177.70000111.2R206 L210 F225 D226 S229 P230 K234 L235 F236R206-V232 HydrophobicContact CB-CG1 4Å; R206-V232 HydrophobicContact CG-CB 4.19Å; R206-V232 HydrophobicContact CG-CG1 3.91Å; L210-V232 HydrophobicContact CD1-CG1 3.94Å; L210-V232 HydrophobicContact CD1-CG2 4.22Å; L210-V232 HydrophobicContact CD2-CG1 4.22Å; L210-V232 HydrophobicContact CG-CG1 4.04Å; F225-V232 HydrophobicContact CB-CG2 4.21Å; D226-V232 WeakPolarHBondContact O-CG2 3.49Å; S229-V232 WeakPolarHBondContact O-CG2 3.36Å; S229-V232 PolarHBondContact O-N 3.23Å; P230-V232 PolarHBondContact O-N 3.38Å; V232-K234 VanDerWaalsContact C-N 3.29Å; V232-K234 PolarHBondContact O-N 3.49Å; V232-L235 WeakPolarHBondContact O-CB 3.4Å; V232-L235 PolarHBondContact O-N 2.86Å; V232-L235 VanDerWaalsContact O-N 3.14Å; V232-F236 HydrophobicContact CG1-CD1 4.31Å; V232-F236 HydrophobicContact CG1-CD2 4.3Å; V232-F236 HydrophobicContact CG1-CE1 3.64Å; V232-F236 HydrophobicContact CG1-CE2 3.64Å; V232-F236 HydrophobicContact CG1-CZ 3.25Å; V232-F236 WeakPolarHBondContact O-CG 3.31Å; V232-F236 PolarHBondContact O-N 3.32Å
233D89.6Confident87Confident11 Ų1159.9 Ų59.96%0.05930%0.299CS..Hα-helixtrans-67.6-34.3178.5-53.7-10.6000110.9R206 P230 N231 F236 S237 L277 L280R206-D233 IonicContact CZ-OD1 2.94Å; R206-D233 IonicContact CZ-OD2 3.72Å; R206-D233 IonicContact NE-OD1 3.39Å; R206-D233 PolarHBondContact NE-OD1 3.4Å; R206-D233 IonicContact NE-OD2 3.47Å; R206-D233 IonicContact NH2-OD1 3.62Å; R206-D233 PolarHBondContact NH2-OD1 2.91Å; R206-D233 IonicContact NH2-OD2 2.74Å; R206-D233 PolarHBondContact NH2-OD2 2.9Å; P230-D233 WeakPolarHBondContact O-CB 3.49Å; P230-D233 PolarHBondContact O-N 3.37Å; P230-D233 VanDerWaalsContact O-N 3.11Å; N231-D233 VanDerWaalsContact C-N 3.26Å; N231-D233 PolarHBondContact O-N 3.25Å; D233-F236 PolarHBondContact O-N 3.47Å; D233-S237 WeakPolarHBondContact O-CB 3.4Å; D233-S237 PolarHBondContact O-N 3.31Å; D233-S237 PolarHBondContact O-OG 3.21Å; D233-L277 VanDerWaalsContact OD1-CD1 3.28Å; D233-L277 WeakPolarHBondContact OD1-CD1 3.27Å; D233-L280 HydrophobicContact CB-CD2 4.39Å
234K86.4Confident87.3Confident72 Ų7258.8 Ų58.831%0.31329%0.286SS..Hα-helixtrans-65.9-40.7172.8-63.8177.6-179.3168.20111.2N231 V232 S237 Y238 P257N231-K234 WeakPolarHBondContact O-CB 3.44Å; N231-K234 PolarHBondContact O-N 3.38Å; N231-K234 PolarHBondContact OD1-NZ 3.49Å; V232-K234 VanDerWaalsContact C-N 3.29Å; V232-K234 PolarHBondContact O-N 3.49Å; K234-S237 PolarHBondContact O-N 3.5Å; K234-Y238 WeakPolarHBondContact O-CB 3.37Å; K234-Y238 PolarHBondContact O-N 2.72Å; K234-P257 HydrophobicContact CD-CB 4.25Å; K234-P257 HydrophobicContact CG-CB 4.47Å
235L89.8Confident86.5Confident30 Ų3054.9 Ų54.916%0.15727%0.272CS..Hα-helixtrans-60.6-49174.3176.368.9000111.2L210 F220 F225 N231 V232 S237 Y238 I239L210-L235 HydrophobicContact CD2-CD2 4.01Å; F220-L235 HydrophobicContact CE2-CD2 4.01Å; F220-L235 HydrophobicContact CZ-CD2 3.76Å; F225-L235 HydrophobicContact CD1-CD2 3.89Å; F225-L235 HydrophobicContact CD2-CD2 3.93Å; F225-L235 HydrophobicContact CE1-CD1 4.34Å; F225-L235 HydrophobicContact CE1-CD2 3.66Å; F225-L235 HydrophobicContact CE1-CG 4.43Å; F225-L235 HydrophobicContact CE2-CD2 3.69Å; F225-L235 HydrophobicContact CG-CD2 4.03Å; F225-L235 HydrophobicContact CZ-CD1 4.06Å; F225-L235 HydrophobicContact CZ-CD2 3.55Å; F225-L235 HydrophobicContact CZ-CG 4.39Å; N231-L235 PolarHBondContact O-N 3.44Å; N231-L235 VanDerWaalsContact O-N 3.09Å; V232-L235 WeakPolarHBondContact O-CB 3.4Å; V232-L235 PolarHBondContact O-N 2.86Å; V232-L235 VanDerWaalsContact O-N 3.14Å; L235-S237 VanDerWaalsContact C-N 3.3Å; L235-S237 PolarHBondContact O-N 3.46Å; L235-Y238 WeakPolarHBondContact O-CB 3.34Å; L235-Y238 PolarHBondContact O-N 2.87Å; L235-Y238 VanDerWaalsContact O-N 3.13Å; L235-I239 HydrophobicContact CD1-CD1 4.12Å; L235-I239 HydrophobicContact CD1-CG1 4.32Å; L235-I239 HydrophobicContact CG-CD1 3.95Å; L235-I239 WeakPolarHBondContact O-CG1 3.5Å; L235-I239 PolarHBondContact O-N 3.39Å
236F92Very high85.1Confident0 Ų054.5 Ų54.50%029%0.289CS..Hα-helixtrans-58.4-43.5177-63.4-19000111.9R206 T209 L210 L213 V232 D233 Y238 I239 L240 L277 L280 V281 L284R206-F236 HydrophobicContact CB-CE2 4.48Å; R206-F236 HydrophobicContact CG-CE2 4.06Å; T209-F236 HydrophobicContact CG2-CD1 4.25Å; T209-F236 HydrophobicContact CG2-CE1 3.67Å; T209-F236 HydrophobicContact CG2-CE2 4Å; T209-F236 HydrophobicContact CG2-CZ 3.52Å; L210-F236 HydrophobicContact CD2-CE1 4.07Å; L210-F236 HydrophobicContact CG-CE1 4.2Å; L210-F236 HydrophobicContact CG-CZ 4.22Å; L213-F236 HydrophobicContact CD1-CD1 4.16Å; L213-F236 HydrophobicContact CD1-CE1 3.89Å; V232-F236 HydrophobicContact CG1-CD1 4.31Å; V232-F236 HydrophobicContact CG1-CD2 4.3Å; V232-F236 HydrophobicContact CG1-CE1 3.64Å; V232-F236 HydrophobicContact CG1-CE2 3.64Å; V232-F236 HydrophobicContact CG1-CZ 3.25Å; V232-F236 WeakPolarHBondContact O-CG 3.31Å; V232-F236 PolarHBondContact O-N 3.32Å; D233-F236 PolarHBondContact O-N 3.47Å; F236-Y238 VanDerWaalsContact C-N 3.33Å; F236-Y238 PolarHBondContact O-N 3.5Å; F236-I239 PolarHBondContact O-N 3.11Å; F236-L240 WeakPolarHBondContact O-CB 3.46Å; F236-L240 PolarHBondContact O-N 3.35Å; F236-L277 HydrophobicContact CD2-CD1 4.27Å; F236-L277 HydrophobicContact CE2-CD1 4.44Å; F236-L280 HydrophobicContact CB-CD2 3.91Å; F236-L280 HydrophobicContact CB-CG 4.13Å; F236-V281 HydrophobicContact CD2-CG2 4.03Å; F236-V281 HydrophobicContact CE2-CG2 4.01Å; F236-L284 HydrophobicContact CB-CD2 4.06Å; F236-L284 HydrophobicContact CD1-CD2 3.94Å; F236-L284 HydrophobicContact CG-CD2 4.08Å
237S89.2Confident83.3Confident18 Ų1858.9 Ų58.913%0.12631%0.306CS..Hα-helixtrans-62.5-39.7176-56.10000112.2D233 K234 L235 R241D233-S237 WeakPolarHBondContact O-CB 3.4Å; D233-S237 PolarHBondContact O-N 3.31Å; D233-S237 PolarHBondContact O-OG 3.21Å; K234-S237 PolarHBondContact O-N 3.5Å; L235-S237 VanDerWaalsContact C-N 3.3Å; L235-S237 PolarHBondContact O-N 3.46Å; S237-R241 WeakPolarHBondContact O-CG 3.35Å; S237-R241 PolarHBondContact O-N 2.88Å
238Y88Confident81.1Confident125 Ų12561 Ų6149%0.4932%0.322SS..Hα-helixtrans-66.6-45.5177.6178.3-91000112.1K234 L235 F236 L240 R241 T242 L255K234-Y238 WeakPolarHBondContact O-CB 3.37Å; K234-Y238 PolarHBondContact O-N 2.72Å; L235-Y238 WeakPolarHBondContact O-CB 3.34Å; L235-Y238 PolarHBondContact O-N 2.87Å; L235-Y238 VanDerWaalsContact O-N 3.13Å; F236-Y238 VanDerWaalsContact C-N 3.33Å; F236-Y238 PolarHBondContact O-N 3.5Å; Y238-L240 VanDerWaalsContact C-N 3.34Å; Y238-L240 PolarHBondContact O-N 2.94Å; Y238-R241 PolarHBondContact O-N 3.42Å; Y238-T242 WeakPolarHBondContact O-CB 3.41Å; Y238-T242 PolarHBondContact O-N 3.46Å; Y238-T242 PolarHBondContact O-OG1 3.23Å; Y238-L255 HydrophobicContact CE2-CB 4.48Å; Y238-L255 HydrophobicContact CE2-CD1 3.91Å
239I89.5Confident78.6Confident29 Ų2960.6 Ų60.615%0.14933%0.332CS..Hα-helixtrans-60.2-48176.2-64.4167.4000109.4L213 L235 F236 R241 T242 L243 L284L213-I239 HydrophobicContact CD1-CD1 3.8Å; L213-I239 HydrophobicContact CD2-CD1 4.3Å; L235-I239 HydrophobicContact CD1-CD1 4.12Å; L235-I239 HydrophobicContact CD1-CG1 4.32Å; L235-I239 HydrophobicContact CG-CD1 3.95Å; L235-I239 WeakPolarHBondContact O-CG1 3.5Å; L235-I239 PolarHBondContact O-N 3.39Å; F236-I239 PolarHBondContact O-N 3.11Å; I239-R241 PolarHBondContact O-N 3.16Å; I239-T242 PolarHBondContact O-N 2.68Å; I239-T242 VanDerWaalsContact O-N 3.13Å; I239-L243 HydrophobicContact CG2-CD1 3.93Å; I239-L243 HydrophobicContact CG2-CG 4.35Å; I239-L243 WeakPolarHBondContact O-CG 3.43Å; I239-L243 PolarHBondContact O-N 3.19Å; I239-L284 HydrophobicContact CB-CD1 4.15Å; I239-L284 HydrophobicContact CG2-CD1 3.67Å
240L89.1Confident76.4Confident21 Ų2168 Ų6811%0.1136%0.364CS..Hα-helixtrans-56.8-49.3178.9-173.468.7000111.8F236 Y238 T242 L243 E244 L280 L284 K287F236-L240 WeakPolarHBondContact O-CB 3.46Å; F236-L240 PolarHBondContact O-N 3.35Å; Y238-L240 VanDerWaalsContact C-N 3.34Å; Y238-L240 PolarHBondContact O-N 2.94Å; L240-T242 VanDerWaalsContact C-N 3.32Å; L240-T242 PolarHBondContact O-N 3.37Å; L240-L243 PolarHBondContact O-N 3.17Å; L240-E244 WeakPolarHBondContact O-CG 3.42Å; L240-E244 PolarHBondContact O-N 2.88Å; L240-L280 HydrophobicContact CD2-CD1 4.04Å; L240-L284 HydrophobicContact CB-CD1 4.43Å; L240-K287 HydrophobicContact CD1-CB 4.28Å; L240-K287 HydrophobicContact CD1-CG 3.71Å
241R87.5Confident74.4Confident95 Ų9570.8 Ų70.836%0.35838%0.384SS..Hα-helixtrans-60.4-39.5176.2-76.8-179.8-180176.5-0.3112.7S237 Y238 I239 L243 E244 L245S237-R241 WeakPolarHBondContact O-CG 3.35Å; S237-R241 PolarHBondContact O-N 2.88Å; Y238-R241 PolarHBondContact O-N 3.42Å; I239-R241 PolarHBondContact O-N 3.16Å; R241-L243 VanDerWaalsContact C-N 3.33Å; R241-E244 PolarHBondContact O-N 3.38Å; R241-L245 WeakPolarHBondContact O-CB 3.42Å; R241-L245 VanDerWaalsContact O-CG 3.31Å; R241-L245 WeakPolarHBondContact O-CG 3.3Å; R241-L245 PolarHBondContact O-N 2.9Å
242T86.8Confident72.1Confident64 Ų6475 Ų7539%0.39341%0.407SS..Hα-helixtrans-65.1-39.9178.7-54.70000111Y238 I239 L240 E244 L245 G246Y238-T242 WeakPolarHBondContact O-CB 3.41Å; Y238-T242 PolarHBondContact O-N 3.46Å; Y238-T242 PolarHBondContact O-OG1 3.23Å; I239-T242 PolarHBondContact O-N 2.68Å; I239-T242 VanDerWaalsContact O-N 3.13Å; L240-T242 VanDerWaalsContact C-N 3.32Å; L240-T242 PolarHBondContact O-N 3.37Å; T242-E244 VanDerWaalsContact C-N 3.31Å; T242-E244 PolarHBondContact O-N 2.93Å; T242-L245 PolarHBondContact O-N 2.92Å; T242-G246 PolarHBondContact O-N 3.21Å; T242-G246 VanDerWaalsContact O-N 3.08Å
243L85.9Confident70Confident67 Ų6783.8 Ų83.835%0.35145%0.445SS..Hα-helixtrans-67.7-30.3174.8-65.7171.1000112.4I239 L240 R241 L284 K287 L288I239-L243 HydrophobicContact CG2-CD1 3.93Å; I239-L243 HydrophobicContact CG2-CG 4.35Å; I239-L243 WeakPolarHBondContact O-CG 3.43Å; I239-L243 PolarHBondContact O-N 3.19Å; L240-L243 PolarHBondContact O-N 3.17Å; R241-L243 VanDerWaalsContact C-N 3.33Å; L243-L284 HydrophobicContact CD1-CD1 4.22Å; L243-K287 HydrophobicContact CD1-CB 4.05Å; L243-L288 HydrophobicContact CD1-CD2 3.69Å; L243-L288 HydrophobicContact CD1-CG 4.11Å
244E82.5Confident67.6Low93 Ų9392.6 Ų92.644%0.43549%0.485SS..Hα-helixtrans-73.6-43.6174.1-70.8170.9167.600112.4L240 R241 T242 G246 H247L240-E244 WeakPolarHBondContact O-CG 3.42Å; L240-E244 PolarHBondContact O-N 2.88Å; R241-E244 PolarHBondContact O-N 3.38Å; T242-E244 VanDerWaalsContact C-N 3.31Å; T242-E244 PolarHBondContact O-N 2.93Å; E244-G246 VanDerWaalsContact C-N 3.25Å; E244-G246 PolarHBondContact O-N 2.84Å; E244-H247 PolarHBondContact O-N 3.46Å
245L65.8Low65.4Low71 Ų7192.9 Ų92.937%0.37249%0.49SS..Hα-helixtrans-70.5-20179.3-70.7166.9000112.9R241 T242 H247 S248R241-L245 WeakPolarHBondContact O-CB 3.42Å; R241-L245 VanDerWaalsContact O-CG 3.31Å; R241-L245 WeakPolarHBondContact O-CG 3.3Å; R241-L245 PolarHBondContact O-N 2.9Å; T242-L245 PolarHBondContact O-N 2.92Å; L245-H247 PolarHBondContact O-N 3.36Å; L245-S248 CarbonylContact O-C 3.42Å; L245-S248 PolarHBondContact O-N 2.88Å
246G57.1Low63Low65 Ų6596.3 Ų96.367%0.6751%0.508SS*.THydrogen-bonded Turntrans-57.9-12.617300000114.9T242 E244T242-G246 PolarHBondContact O-N 3.21Å; T242-G246 VanDerWaalsContact O-N 3.08Å; E244-G246 VanDerWaalsContact C-N 3.25Å; E244-G246 PolarHBondContact O-N 2.84Å
247H51.5Low60.6Low178 Ų17899.2 Ų99.282%0.82453%0.527SS*.THydrogen-bonded Turntrans-101.4-3.1171.1-71.2-50.3000114.8E244 L245E244-H247 PolarHBondContact O-N 3.46Å; L245-H247 PolarHBondContact O-N 3.36Å
248S42.5Very low58.5Low75 Ų75100.1 Ų100.152%0.52453%0.533SS..  trans-147.176.8178.845.60000110.2L245 E250L245-S248 CarbonylContact O-C 3.42Å; L245-S248 PolarHBondContact O-N 2.88Å; S248-E250 PolarHBondContact O-N 3.44Å
249S34.5Very low56.7Low113 Ų113101.9 Ų101.979%0.7954%0.543SS*.  trans-61.698.5166160.70000109
250E39.8Very low54.8Low183 Ų183107.5 Ų107.586%0.85557%0.573SS**  trans171.278.4147-95.8169-157.600110.4S248S248-E250 PolarHBondContact O-N 3.44Å
251S40.3Very low53Low85 Ų85108.7 Ų108.759%0.59458%0.58SS**  trans-177.382.8146.743.40000111.8K253S251-K253 PolarHBondContact O-N 2.9Å
252N36.2Very low51.3Low180 Ų180107.4 Ų107.496%0.96358%0.584SS**  trans-7369.2160-77.2-25.7000110.1
253K46Very low50Low185 Ų185106.4 Ų106.480%0.80458%0.578SS**  trans-106.9117.7161.5-76.9-172.1176.9-178.70107.9S251 L255S251-K253 PolarHBondContact O-N 2.9Å; K253-L255 PolarHBondContact O-N 2.9Å
254E39Very low48.8Very low196 Ų196103.4 Ų103.492%0.91656%0.562SS**  trans-5101.3171.3-74.8167.9137.400114.3D256E254-D256 VanDerWaalsContact C-N 3.27Å; E254-D256 PolarHBondContact O-N 3.39Å
255L40.6Very low47.6Very low78 Ų78102 Ų10241%0.40856%0.562SS.*  trans-70.584.2174.2-87.3147.2000109.3Y238 K253 P257Y238-L255 HydrophobicContact CE2-CB 4.48Å; Y238-L255 HydrophobicContact CE2-CD1 3.91Å; K253-L255 PolarHBondContact O-N 2.9Å; L255-P257 VanDerWaalsContact O-CD 3.3Å; L255-P257 WeakPolarHBondContact O-CD 3.31Å
256D39.7Very low47.4Very low102 Ų102105.4 Ų105.455%0.54558%0.58SS.*  trans-64114.9164.1-128.10000106.6E254 K259E254-D256 VanDerWaalsContact C-N 3.27Å; E254-D256 PolarHBondContact O-N 3.39Å; D256-K259 WeakPolarHBondContact OD2-CE 3.33Å; D256-K259 IonicContact OD2-NZ 3.06Å; D256-K259 PolarHBondContact OD2-NZ 3.44Å
257P41.1Very low48.1Very low60 Ų60102.7 Ų102.739%0.3955%0.551SS.*  trans-59148.517624.5-31.7000108.8K234 L255 K259K234-P257 HydrophobicContact CD-CB 4.25Å; K234-P257 HydrophobicContact CG-CB 4.47Å; L255-P257 VanDerWaalsContact O-CD 3.3Å; L255-P257 WeakPolarHBondContact O-CD 3.31Å; P257-K259 PolarHBondContact O-N 2.76Å
258P45.8Very low49.2Very low38 Ų38100.5 Ų100.525%0.24755%0.552CS.*  trans-50.4116.717820.3-30.5000108.9N260P258-N260 PolarHBondContact O-N 2.8Å
259K49.2Very low51.2Low162 Ų162100 Ų10070%0.70454%0.544SS*.SBendtrans-61.2-17.4-166.1-92176.4178.4158.10113.8D256 P257D256-K259 WeakPolarHBondContact OD2-CE 3.33Å; D256-K259 IonicContact OD2-NZ 3.06Å; D256-K259 PolarHBondContact OD2-NZ 3.44Å; P257-K259 PolarHBondContact O-N 2.76Å
260N50.3Low53.7Low147 Ų14794.8 Ų94.879%0.78651%0.507SS*.  trans-13884-179.1-73.5-22.7000110.8P258 P262P258-N260 PolarHBondContact O-N 2.8Å; N260-P262 VanDerWaalsContact O-CD 3.31Å; N260-P262 WeakPolarHBondContact O-CD 3.39Å
261N51.4Low55.9Low45 Ų4589 Ų8924%0.24148%0.48CS..  trans-85108.5152.7-80.72.6000106.4V263N261-V263 PolarHBondContact O-N 3.35Å
262P52.4Low58Low68 Ų6889.8 Ų89.844%0.44247%0.474SS..  trans-59.5126.1-179.423.5-32.4000109.1N260 V264 C267 C273N260-P262 VanDerWaalsContact O-CD 3.31Å; N260-P262 WeakPolarHBondContact O-CD 3.39Å; P262-V264 PolarHBondContact O-N 3.14Å; P262-C267 HydrophobicContact CB-CB 4.46Å; P262-C273 WeakPolarHBondContact CG-SG 3.36Å
263V59Low60.4Low44 Ų4481.6 Ų81.627%0.26743%0.431SS..  trans-63.6126.6172.5-165.80000106.9P230 N261 S265 L266 C267P230-V263 HydrophobicContact CB-CG1 4.26Å; P230-V263 HydrophobicContact CB-CG2 4.1Å; P230-V263 HydrophobicContact CG-CB 4.42Å; P230-V263 HydrophobicContact CG-CG1 4.02Å; P230-V263 HydrophobicContact CG-CG2 3.76Å; N261-V263 PolarHBondContact O-N 3.35Å; V263-S265 WeakPolarHBondContact CG1-OG 3.35Å; V263-S265 PolarHBondContact O-N 2.83Å; V263-L266 HydrophobicContact CB-CB 4.47Å; V263-L266 HydrophobicContact CB-CD1 4.39Å; V263-L266 HydrophobicContact CB-CG 4.44Å; V263-L266 HydrophobicContact CG2-CD1 4.42Å; V263-L266 PolarHBondContact O-N 3.31Å; V263-C267 PolarHBondContact O-N 3.5Å; V263-C267 VanDerWaalsContact O-N 3.16Å
264V59.4Low62.5Low3 Ų373 Ų732%0.01839%0.394CS..G310 helixtrans-52-31.1-179.3178.70000111.8H195 A198 P262 L266 P270 C273H195-V264 PolarHBondContact ND1-O 2.69Å; A198-V264 HydrophobicContact CB-CG1 3.82Å; P262-V264 PolarHBondContact O-N 3.14Å; V264-L266 VanDerWaalsContact C-N 3.31Å; V264-L266 PolarHBondContact O-N 2.78Å; V264-P270 HydrophobicContact CG1-CB 4.2Å; V264-C273 HydrophobicContact CG2-CB 4.11Å
265S57.7Low65Low63 Ų6365.4 Ų65.444%0.44136%0.363SS..G310 helixtrans-71.2-18.6176.855.40000114.9V263V263-S265 WeakPolarHBondContact CG1-OG 3.35Å; V263-S265 PolarHBondContact O-N 2.83Å
266L62.2Low67.2Low143 Ų14365.4 Ų65.475%0.74936%0.363SS*.G310 helixtrans-115.63.7-178.2-60.6175.5000112.7V263 V264V263-L266 HydrophobicContact CB-CB 4.47Å; V263-L266 HydrophobicContact CB-CD1 4.39Å; V263-L266 HydrophobicContact CB-CG 4.44Å; V263-L266 HydrophobicContact CG2-CD1 4.42Å; V263-L266 PolarHBondContact O-N 3.31Å; V264-L266 VanDerWaalsContact C-N 3.31Å; V264-L266 PolarHBondContact O-N 2.78Å
267C71.7Confident69.7Low9 Ų960.8 Ų60.86%0.06134%0.338CS..  trans-85.5127-174.9-175.50000110.3H195 P262 V263 D269 C273H195-C267 PolarHBondContact CE1-O 3.19Å; P262-C267 HydrophobicContact CB-CB 4.46Å; V263-C267 PolarHBondContact O-N 3.5Å; V263-C267 VanDerWaalsContact O-N 3.16Å; C267-D269 PolarHBondContact O-N 3.05Å; C267-D269 VanDerWaalsContact O-N 3.08Å; C267-D269 PolarHBondContact SG-O 3Å; C267-C273 HydrophobicContact CB-CB 3.87Å; C267-C273 WeakPolarHBondContact CB-SG 3.35Å; C267-C273 WeakPolarHBondContact SG-CB 3.43Å; C267-C273 CovalentContact SG-SG 2.05Å; C267-C273 PolarHBondContact SG-SG 3.4Å
268P74.5Confident72.2Confident132 Ų13259.3 Ų59.386%0.85733%0.325SS*.SBendtrans-60.7-22.5179.724.8-34.1000113.1
269D84.3Confident74.4Confident65 Ų6562.4 Ų62.435%0.34834%0.336SS..  trans-125.792170.5-172.8-0.6000111.1R194 C267 E271 H272 C273R194-D269 IonicContact NH2-OD1 2.98Å; C267-D269 PolarHBondContact O-N 3.05Å; C267-D269 VanDerWaalsContact O-N 3.08Å; C267-D269 PolarHBondContact SG-O 3Å; D269-E271 PolarHBondContact O-N 2.91Å; D269-E271 PolarHBondContact OD1-N 2.99Å; D269-H272 HydrophobicContact CB-CB 3.9Å; D269-H272 PolarHBondContact O-N 2.85Å; D269-H272 PolarHBondContact OD1-N 3.39Å; D269-H272 WeakPolarHBondContact OD2-CB 3.33Å; D269-C273 PolarHBondContact O-N 3.35Å
270P86.5Confident76.4Confident2 Ų256.1 Ų56.11%0.01331%0.31CS..Hα-helixtrans-63-26.5-17724.8-34000113.2R194 A198 V264 L274R194-P270 HydrophobicContact CB-CG 4.21Å; A198-P270 HydrophobicContact CB-CB 3.66Å; V264-P270 HydrophobicContact CG1-CB 4.2Å; P270-L274 WeakPolarHBondContact O-CB 3.46Å; P270-L274 PolarHBondContact O-N 2.74Å
271E85.7Confident78.4Confident62 Ų6249.1 Ų49.129%0.2927%0.272SS..Hα-helixtrans-74-38.3177.7-69.5-64156.500111.7D269 L274 S275D269-E271 PolarHBondContact O-N 2.91Å; D269-E271 PolarHBondContact OD1-N 2.99Å; E271-L274 PolarHBondContact O-N 2.72Å; E271-S275 WeakPolarHBondContact O-CB 2.98Å; E271-S275 PolarHBondContact O-N 3.48Å
272H85.8Confident80.4Confident101 Ų10148.2 Ų48.247%0.46827%0.267SS..Hα-helixtrans-61.4-46.6172.4178.571.4000111.1D269 L274 S275 N276D269-H272 HydrophobicContact CB-CB 3.9Å; D269-H272 PolarHBondContact O-N 2.85Å; D269-H272 PolarHBondContact OD1-N 3.39Å; D269-H272 WeakPolarHBondContact OD2-CB 3.33Å; H272-L274 PolarHBondContact O-N 2.92Å; H272-S275 WeakPolarHBondContact O-CB 3.26Å; H272-S275 PolarHBondContact O-N 2.9Å; H272-N276 PolarHBondContact CD2-ND2 2.92Å; H272-N276 PolarHBondContact NE2-ND2 3.39Å; H272-N276 PolarHBondContact O-N 2.85Å
273C86.6Confident82.2Confident8 Ų847.3 Ų47.35%0.05426%0.263CS..Hα-helixtrans-61.3-42.1177.3-81.60000112.3P262 V264 C267 D269 N276 L277P262-C273 WeakPolarHBondContact CG-SG 3.36Å; V264-C273 HydrophobicContact CG2-CB 4.11Å; C267-C273 HydrophobicContact CB-CB 3.87Å; C267-C273 WeakPolarHBondContact CB-SG 3.35Å; C267-C273 WeakPolarHBondContact SG-CB 3.43Å; C267-C273 CovalentContact SG-SG 2.05Å; C267-C273 PolarHBondContact SG-SG 3.4Å; D269-C273 PolarHBondContact O-N 3.35Å; C273-N276 PolarHBondContact O-N 3.35Å; C273-L277 PolarHBondContact O-N 2.91Å
274L90.5Very high83.8Confident4 Ų445.2 Ų45.22%0.02125%0.25CS..Hα-helixtrans-65.6-37.9173.8-178.861.3000112.6A198 A201 P270 E271 H272 L277 R278A198-L274 HydrophobicContact CB-CD2 4.34Å; A201-L274 HydrophobicContact CB-CD1 4.14Å; A201-L274 HydrophobicContact CB-CD2 3.71Å; P270-L274 WeakPolarHBondContact O-CB 3.46Å; P270-L274 PolarHBondContact O-N 2.74Å; E271-L274 PolarHBondContact O-N 2.72Å; H272-L274 PolarHBondContact O-N 2.92Å; L274-L277 PolarHBondContact O-N 3.2Å; L274-R278 VanDerWaalsContact CD2-NH2 3.33Å; L274-R278 WeakPolarHBondContact O-CG 3.44Å; L274-R278 PolarHBondContact O-N 3.33Å
275S89.8Confident85.3Confident38 Ų3845.2 Ų45.227%0.26625%0.25SC..Hα-helixtrans-60.7-45.3174.7-171.40000111.3E271 H272 L277 R278 H279E271-S275 WeakPolarHBondContact O-CB 2.98Å; E271-S275 PolarHBondContact O-N 3.48Å; H272-S275 WeakPolarHBondContact O-CB 3.26Å; H272-S275 PolarHBondContact O-N 2.9Å; S275-L277 VanDerWaalsContact C-N 3.3Å; S275-L277 PolarHBondContact O-N 3.1Å; S275-R278 WeakPolarHBondContact O-CB 3.39Å; S275-R278 PolarHBondContact O-N 2.95Å; S275-R278 VanDerWaalsContact O-N 3.12Å; S275-H279 PolarHBondContact O-N 2.76Å; S275-H279 PolarHBondContact O-ND1 3.44Å; S275-H279 PolarHBondContact OG-CE1 2.93Å
276N88.6Confident86.8Confident77 Ų7746.5 Ų46.541%0.41225%0.249SC..Hα-helixtrans-60.3-40.5177.3-67.6-20.4000112H272 C273 H279 L280H272-N276 PolarHBondContact CD2-ND2 2.92Å; H272-N276 PolarHBondContact NE2-ND2 3.39Å; H272-N276 PolarHBondContact O-N 2.85Å; C273-N276 PolarHBondContact O-N 3.35Å; N276-H279 PolarHBondContact O-N 2.96Å; N276-L280 WeakPolarHBondContact O-CB 3.28Å; N276-L280 PolarHBondContact O-N 2.98Å
277L91.6Very high88.1Confident5 Ų544.8 Ų44.83%0.02624%0.235CC..Hα-helixtrans-62.9-43.4173.8179.360.1000112.1S202 L205 R206 D233 F236 C273 L274 S275 H279 L280 V281S202-L277 WeakPolarHBondContact OG-CD2 3.5Å; L205-L277 HydrophobicContact CD2-CD2 4.23Å; L205-L277 HydrophobicContact CD2-CG 3.95Å; R206-L277 HydrophobicContact CG-CD2 4.16Å; D233-L277 VanDerWaalsContact OD1-CD1 3.28Å; D233-L277 WeakPolarHBondContact OD1-CD1 3.27Å; F236-L277 HydrophobicContact CD2-CD1 4.27Å; F236-L277 HydrophobicContact CE2-CD1 4.44Å; C273-L277 PolarHBondContact O-N 2.91Å; L274-L277 PolarHBondContact O-N 3.2Å; S275-L277 VanDerWaalsContact C-N 3.3Å; S275-L277 PolarHBondContact O-N 3.1Å; L277-H279 VanDerWaalsContact C-N 3.31Å; L277-H279 PolarHBondContact O-N 2.91Å; L277-L280 PolarHBondContact O-N 3.4Å; L277-V281 HydrophobicContact CD1-CG2 4.06Å; L277-V281 HydrophobicContact CG-CG2 4.45Å; L277-V281 WeakPolarHBondContact O-CG2 3.36Å; L277-V281 PolarHBondContact O-N 3.07Å
278R93.5Very high89Confident29 Ų2946.6 Ų46.611%0.10924%0.244CC..Hα-helixtrans-58.2-43.1175.3-72.3172.8175.7129.80.6111.9L205 L274 S275 L282 S300 L304L205-R278 HydrophobicContact CD2-CB 4.48Å; L205-R278 HydrophobicContact CD2-CG 3.83Å; L274-R278 VanDerWaalsContact CD2-NH2 3.33Å; L274-R278 WeakPolarHBondContact O-CG 3.44Å; L274-R278 PolarHBondContact O-N 3.33Å; S275-R278 WeakPolarHBondContact O-CB 3.39Å; S275-R278 PolarHBondContact O-N 2.95Å; S275-R278 VanDerWaalsContact O-N 3.12Å; R278-L282 VanDerWaalsContact O-CB 3.31Å; R278-L282 WeakPolarHBondContact O-CB 2.98Å; R278-L282 PolarHBondContact O-N 2.85Å; R278-S300 WeakPolarHBondContact CD-O 3.32Å; R278-S300 PolarHBondContact NE-O 2.76Å; R278-L304 HydrophobicContact CB-CD2 3.91Å; R278-L304 HydrophobicContact CG-CD2 3.98Å
279H91.1Very high89.6Confident103 Ų10341.8 Ų41.848%0.47721%0.211SC..Hα-helixtrans-64.2-46.6176.4-71.886.4000111.5S275 N276 L277 V281 L282 S283S275-H279 PolarHBondContact O-N 2.76Å; S275-H279 PolarHBondContact O-ND1 3.44Å; S275-H279 PolarHBondContact OG-CE1 2.93Å; N276-H279 PolarHBondContact O-N 2.96Å; L277-H279 VanDerWaalsContact C-N 3.31Å; L277-H279 PolarHBondContact O-N 2.91Å; H279-V281 VanDerWaalsContact C-N 3.35Å; H279-V281 PolarHBondContact O-N 2.88Å; H279-L282 PolarHBondContact O-N 3.33Å; H279-S283 PolarHBondContact O-N 3.1Å; H279-S283 PolarHBondContact O-OG 2.97Å
280L91.4Very high89.6Confident30 Ų3044.1 Ų44.116%0.15723%0.23CC..Hα-helixtrans-57.2-47.4177.3177.663000111.8D233 F236 L240 N276 L277 S283 L284D233-L280 HydrophobicContact CB-CD2 4.39Å; F236-L280 HydrophobicContact CB-CD2 3.91Å; F236-L280 HydrophobicContact CB-CG 4.13Å; L240-L280 HydrophobicContact CD2-CD1 4.04Å; N276-L280 WeakPolarHBondContact O-CB 3.28Å; N276-L280 PolarHBondContact O-N 2.98Å; L277-L280 PolarHBondContact O-N 3.4Å; L280-S283 PolarHBondContact O-N 3.37Å; L280-L284 WeakPolarHBondContact O-CB 3.31Å; L280-L284 PolarHBondContact O-N 3.11Å
281V93.2Very high89.4Confident0 Ų052.6 Ų52.60%027%0.269CS..Hα-helixtrans-65.1-43178.1171.60000110.9L205 T209 F236 L277 H279 S283 L284 L285 L304 I308L205-V281 HydrophobicContact CD1-CG1 4.05Å; L205-V281 HydrophobicContact CD1-CG2 4.5Å; L205-V281 HydrophobicContact CD2-CG2 4.21Å; L205-V281 HydrophobicContact CG-CG2 4.11Å; T209-V281 HydrophobicContact CG2-CG1 4.17Å; T209-V281 HydrophobicContact CG2-CG2 4.39Å; T209-V281 VanDerWaalsContact OG1-CG1 3.32Å; T209-V281 WeakPolarHBondContact OG1-CG1 3.29Å; F236-V281 HydrophobicContact CD2-CG2 4.03Å; F236-V281 HydrophobicContact CE2-CG2 4.01Å; L277-V281 HydrophobicContact CD1-CG2 4.06Å; L277-V281 HydrophobicContact CG-CG2 4.45Å; L277-V281 WeakPolarHBondContact O-CG2 3.36Å; L277-V281 PolarHBondContact O-N 3.07Å; H279-V281 VanDerWaalsContact C-N 3.35Å; H279-V281 PolarHBondContact O-N 2.88Å; V281-S283 PolarHBondContact O-N 3.1Å; V281-L284 WeakPolarHBondContact O-CB 3.39Å; V281-L284 PolarHBondContact O-N 2.88Å; V281-L285 HydrophobicContact CG1-CD1 4.08Å; V281-L285 HydrophobicContact CG1-CG 4.29Å; V281-L285 VanDerWaalsContact O-CG 3.3Å; V281-L285 WeakPolarHBondContact O-CG 3.3Å; V281-L285 PolarHBondContact O-N 3.33Å; V281-L304 HydrophobicContact CB-CD2 4.33Å; V281-L304 HydrophobicContact CG1-CD1 4.43Å; V281-L304 HydrophobicContact CG1-CD2 4.22Å; V281-I308 HydrophobicContact CG1-CD1 3.87Å
282L92.6Very high89.5Confident26 Ų2651.9 Ų51.914%0.13627%0.267CS..Hα-helixtrans-61.5-44177.7-171.665.9000112R278 H279 L284 L285 Q286 L294 F298 L304R278-L282 VanDerWaalsContact O-CB 3.31Å; R278-L282 WeakPolarHBondContact O-CB 2.98Å; R278-L282 PolarHBondContact O-N 2.85Å; H279-L282 PolarHBondContact O-N 3.33Å; L282-L284 VanDerWaalsContact C-N 3.33Å; L282-L284 PolarHBondContact O-N 3.33Å; L282-L285 PolarHBondContact O-N 3.41Å; L282-Q286 WeakPolarHBondContact O-CG 3.06Å; L282-Q286 PolarHBondContact O-N 3.49Å; L282-L294 HydrophobicContact CD1-CD1 3.88Å; L282-L294 HydrophobicContact CD1-CD2 4.26Å; L282-L294 HydrophobicContact CD2-CD1 4.18Å; L282-L294 HydrophobicContact CG-CD1 4.36Å; L282-F298 HydrophobicContact CD1-CE1 3.74Å; L282-F298 HydrophobicContact CD1-CZ 4.02Å; L282-F298 HydrophobicContact CD2-CE1 4.07Å; L282-L304 HydrophobicContact CB-CD1 4.46Å; L282-L304 HydrophobicContact CD1-CD1 3.98Å
283S90.4Very high89.5Confident50 Ų5053.2 Ų53.235%0.3528%0.282SS..Hα-helixtrans-61.6-41.6175-63.60000111.8H279 L280 V281 Q286 K287H279-S283 PolarHBondContact O-N 3.1Å; H279-S283 PolarHBondContact O-OG 2.97Å; L280-S283 PolarHBondContact O-N 3.37Å; V281-S283 PolarHBondContact O-N 3.1Å; S283-Q286 PolarHBondContact O-N 3.32Å; S283-K287 WeakPolarHBondContact O-CG 3.36Å; S283-K287 PolarHBondContact O-N 3.32Å; S283-K287 VanDerWaalsContact O-N 3.17Å
284L92.1Very high89.6Confident0 Ų055 Ų550%029%0.291CS..Hα-helixtrans-61.8-46.6175.2-178.462.8000111.6T209 F236 I239 L240 L243 L280 V281 L282 Q286 K287 L288T209-L284 HydrophobicContact CG2-CD2 4.09Å; F236-L284 HydrophobicContact CB-CD2 4.06Å; F236-L284 HydrophobicContact CD1-CD2 3.94Å; F236-L284 HydrophobicContact CG-CD2 4.08Å; I239-L284 HydrophobicContact CB-CD1 4.15Å; I239-L284 HydrophobicContact CG2-CD1 3.67Å; L240-L284 HydrophobicContact CB-CD1 4.43Å; L243-L284 HydrophobicContact CD1-CD1 4.22Å; L280-L284 WeakPolarHBondContact O-CB 3.31Å; L280-L284 PolarHBondContact O-N 3.11Å; V281-L284 WeakPolarHBondContact O-CB 3.39Å; V281-L284 PolarHBondContact O-N 2.88Å; L282-L284 VanDerWaalsContact C-N 3.33Å; L282-L284 PolarHBondContact O-N 3.33Å; L284-Q286 PolarHBondContact O-N 2.71Å; L284-K287 PolarHBondContact O-N 3.41Å; L284-L288 HydrophobicContact CD1-CD1 3.88Å; L284-L288 HydrophobicContact CD1-CG 4.14Å; L284-L288 HydrophobicContact CD2-CD1 4.43Å; L284-L288 HydrophobicContact CG-CD1 3.76Å; L284-L288 HydrophobicContact CG-CG 4.4Å; L284-L288 WeakPolarHBondContact O-CB 3.48Å; L284-L288 WeakPolarHBondContact O-CG 3.21Å; L284-L288 PolarHBondContact O-N 2.93Å
285L91.9Very high89.5Confident3 Ų359 Ų592%0.01632%0.317CS..Hα-helixtrans-59.8-44.9177.3-70.7173.4000112.2L212 V281 L282 K287 L288 L289 L292 L304 I308L212-L285 HydrophobicContact CD2-CD2 3.19Å; V281-L285 HydrophobicContact CG1-CD1 4.08Å; V281-L285 HydrophobicContact CG1-CG 4.29Å; V281-L285 VanDerWaalsContact O-CG 3.3Å; V281-L285 WeakPolarHBondContact O-CG 3.3Å; V281-L285 PolarHBondContact O-N 3.33Å; L282-L285 PolarHBondContact O-N 3.41Å; L285-K287 PolarHBondContact O-N 3.12Å; L285-L288 PolarHBondContact O-N 3.09Å; L285-L289 WeakPolarHBondContact O-CB 3.43Å; L285-L289 PolarHBondContact O-N 2.68Å; L285-L292 HydrophobicContact CB-CD2 4.28Å; L285-L304 HydrophobicContact CD1-CD1 3.75Å; L285-I308 HydrophobicContact CD1-CD1 4.24Å; L285-I308 HydrophobicContact CD1-CG1 3.66Å; L285-I308 HydrophobicContact CD2-CG1 4.25Å
286Q89.9Confident89.1Confident89 Ų8968.2 Ų68.242%0.41635%0.352SS..Hα-helixtrans-63.1-30.9178.5-74.3177.2-25.200112.9L282 S283 L284L282-Q286 WeakPolarHBondContact O-CG 3.06Å; L282-Q286 PolarHBondContact O-N 3.49Å; S283-Q286 PolarHBondContact O-N 3.32Å; L284-Q286 PolarHBondContact O-N 2.71Å
287K89.6Confident89.1Confident108 Ų10867.7 Ų67.747%0.4737%0.365SS..Hα-helixtrans-77.9-40.9175.5-71-66.5-171.9175.70112.7L240 L243 S283 L284 L285L240-K287 HydrophobicContact CD1-CB 4.28Å; L240-K287 HydrophobicContact CD1-CG 3.71Å; L243-K287 HydrophobicContact CD1-CB 4.05Å; S283-K287 WeakPolarHBondContact O-CG 3.36Å; S283-K287 PolarHBondContact O-N 3.32Å; S283-K287 VanDerWaalsContact O-N 3.17Å; L284-K287 PolarHBondContact O-N 3.41Å; L285-K287 PolarHBondContact O-N 3.12Å
288L88.7Confident89Confident47 Ų4769.5 Ų69.525%0.24637%0.373CS..Hα-helixtrans-73.1-33.4179.2-69.7172.2000112.6L213 L216 L243 L284 L285 P290L213-L288 HydrophobicContact CD2-CD1 3.53Å; L216-L288 HydrophobicContact CD1-CB 4.12Å; L216-L288 HydrophobicContact CD1-CD1 4.22Å; L243-L288 HydrophobicContact CD1-CD2 3.69Å; L243-L288 HydrophobicContact CD1-CG 4.11Å; L284-L288 HydrophobicContact CD1-CD1 3.88Å; L284-L288 HydrophobicContact CD1-CG 4.14Å; L284-L288 HydrophobicContact CD2-CD1 4.43Å; L284-L288 HydrophobicContact CG-CD1 3.76Å; L284-L288 HydrophobicContact CG-CG 4.4Å; L284-L288 WeakPolarHBondContact O-CB 3.48Å; L284-L288 WeakPolarHBondContact O-CG 3.21Å; L284-L288 PolarHBondContact O-N 2.93Å; L285-L288 PolarHBondContact O-N 3.09Å; L288-P290 VanDerWaalsContact C-CD 3.49Å; L288-P290 WeakPolarHBondContact O-CD 3.2Å
289L88Confident88.9Confident31 Ų3171.4 Ų71.416%0.16239%0.385CS..  trans-121.574.6-177.8-59.1174.4000109.2L216 L285 Q291 L292 A311L216-L289 HydrophobicContact CD1-CD2 4.4Å; L216-L289 HydrophobicContact CD2-CD2 4.13Å; L285-L289 WeakPolarHBondContact O-CB 3.43Å; L285-L289 PolarHBondContact O-N 2.68Å; L289-Q291 PolarHBondContact O-N 2.8Å; L289-L292 HydrophobicContact CB-CB 3.98Å; L289-L292 WeakPolarHBondContact O-CB 3.31Å; L289-L292 PolarHBondContact O-N 3.17Å; L289-A311 HydrophobicContact CD1-CB 3.92Å
290P83.2Confident88.8Confident113 Ų11367.8 Ų67.873%0.73437%0.372SS*.THydrogen-bonded Turntrans-63.2-16.9-174.824-34.1000114L288 L292L288-P290 VanDerWaalsContact C-CD 3.49Å; L288-P290 WeakPolarHBondContact O-CD 3.2Å; P290-L292 VanDerWaalsContact C-N 3.3Å
291Q84.2Confident88.7Confident180 Ų18072.2 Ų72.284%0.84139%0.39SS*.THydrogen-bonded Turntrans-83.9-3.9175-59.1-177.410.400113.1L289 V293L289-Q291 PolarHBondContact O-N 2.8Å; Q291-V293 PolarHBondContact O-N 3.22Å
292L86.6Confident88.5Confident47 Ų4777 Ų7725%0.24642%0.415CS..  trans-73110-177-178.668000111.2L285 L289 P290 L294 L307L285-L292 HydrophobicContact CB-CD2 4.28Å; L289-L292 HydrophobicContact CB-CB 3.98Å; L289-L292 WeakPolarHBondContact O-CB 3.31Å; L289-L292 PolarHBondContact O-N 3.17Å; P290-L292 VanDerWaalsContact C-N 3.3Å; L292-L294 HydrophobicContact CD2-CD2 4.31Å; L292-L294 HydrophobicContact CG-CD2 4.35Å; L292-L307 HydrophobicContact CD1-CD1 3.89Å; L292-L307 HydrophobicContact CD2-CD2 4.26Å
293V86.2Confident88.5Confident129 Ų12978.6 Ų78.678%0.78242%0.424SS*.PPolyproline II helixtrans-101.5119.3174.1-177.40000109.5Q291Q291-V293 PolarHBondContact O-N 3.22Å
294L88.7Confident88.6Confident45 Ų4576.3 Ų76.324%0.23641%0.408CS..PPolyproline II helixtrans-80.2138.1178.1-58.5175.5000111L282 L292 F298 L307L282-L294 HydrophobicContact CD1-CD1 3.88Å; L282-L294 HydrophobicContact CD1-CD2 4.26Å; L282-L294 HydrophobicContact CD2-CD1 4.18Å; L282-L294 HydrophobicContact CG-CD1 4.36Å; L292-L294 HydrophobicContact CD2-CD2 4.31Å; L292-L294 HydrophobicContact CG-CD2 4.35Å; L294-F298 HydrophobicContact CB-CB 4.29Å; L294-F298 HydrophobicContact CB-CG 4.42Å; L294-F298 HydrophobicContact CD1-CD1 4.15Å; L294-F298 HydrophobicContact CD1-CE1 4.43Å; L294-F298 HydrophobicContact CD2-CD1 4.44Å; L294-F298 HydrophobicContact CD2-CD2 4.24Å; L294-F298 HydrophobicContact CD2-CE1 4.47Å; L294-F298 HydrophobicContact CD2-CE2 4.28Å; L294-F298 HydrophobicContact CD2-CG 4.32Å; L294-F298 HydrophobicContact CD2-CZ 4.39Å; L294-L307 HydrophobicContact CD2-CD2 3.73Å
295P88.1Confident88.7Confident88 Ų8878.4 Ų78.457%0.57142%0.42SS*.PPolyproline II helixtrans-67.3154.517727.6-33.6000111.7G297 F298P295-G297 PolarHBondContact O-N 3.18Å; P295-F298 HydrophobicContact CG-CB 4.1Å; P295-F298 WeakPolarHBondContact O-CB 3.4Å; P295-F298 PolarHBondContact O-N 3.27Å
296K82.1Confident88.7Confident233 Ų23381.4 Ų81.4100%1.01344%0.44SS*.THydrogen-bonded Turntrans-62.7-1-177.6-71.2-174177.3-179.30115.7
297G88.2Confident88.8Confident66 Ų6678.9 Ų78.968%0.6843%0.429SS*.THydrogen-bonded Turntrans-127.517.6176.700000113.6P295 N299P295-G297 PolarHBondContact O-N 3.18Å; G297-N299 PolarHBondContact O-N 3.48Å
298F89.6Confident88.9Confident43 Ų4373.8 Ų73.819%0.18941%0.407CS..  trans-59.5121.4-177.9-177.9-99.9000111.6L282 L294 P295 D303 L304 L307L282-F298 HydrophobicContact CD1-CE1 3.74Å; L282-F298 HydrophobicContact CD1-CZ 4.02Å; L282-F298 HydrophobicContact CD2-CE1 4.07Å; L294-F298 HydrophobicContact CB-CB 4.29Å; L294-F298 HydrophobicContact CB-CG 4.42Å; L294-F298 HydrophobicContact CD1-CD1 4.15Å; L294-F298 HydrophobicContact CD1-CE1 4.43Å; L294-F298 HydrophobicContact CD2-CD1 4.44Å; L294-F298 HydrophobicContact CD2-CD2 4.24Å; L294-F298 HydrophobicContact CD2-CE1 4.47Å; L294-F298 HydrophobicContact CD2-CE2 4.28Å; L294-F298 HydrophobicContact CD2-CG 4.32Å; L294-F298 HydrophobicContact CD2-CZ 4.39Å; P295-F298 HydrophobicContact CG-CB 4.1Å; P295-F298 WeakPolarHBondContact O-CB 3.4Å; P295-F298 PolarHBondContact O-N 3.27Å; F298-D303 HydrophobicContact CD2-CB 3.57Å; F298-D303 HydrophobicContact CE2-CB 3.39Å; F298-D303 HydrophobicContact CZ-CB 4.2Å; F298-L304 HydrophobicContact CZ-CB 4.25Å; F298-L304 HydrophobicContact CZ-CD1 4.11Å; F298-L307 HydrophobicContact CE2-CB 4.32Å; F298-L307 HydrophobicContact CE2-CD2 3.67Å; F298-L307 HydrophobicContact CZ-CD2 3.83Å
299N91Very high89.1Confident68 Ų6874 Ų7436%0.36441%0.409SS..  trans-109.7111.2174.5-179-3.6000109.7G297 K301 D302 D303G297-N299 PolarHBondContact O-N 3.48Å; N299-K301 PolarHBondContact O-N 2.78Å; N299-K301 VanDerWaalsContact OD1-CB 3.25Å; N299-K301 WeakPolarHBondContact OD1-CB 3.32Å; N299-K301 PolarHBondContact OD1-N 2.82Å; N299-D302 PolarHBondContact ND2-OD2 3.27Å; N299-D302 PolarHBondContact O-N 2.9Å; N299-D302 VanDerWaalsContact O-N 3.09Å; N299-D303 PolarHBondContact N-OD2 2.78Å; N299-D303 WeakPolarHBondContact O-CB 3.48Å; N299-D303 PolarHBondContact O-N 2.62Å
300S89.5Confident89.1Confident28 Ų2876.2 Ų76.220%0.19643%0.426CS..THydrogen-bonded Turntrans-60-18.8-179.266.80000114.1R278 L304R278-S300 WeakPolarHBondContact CD-O 3.32Å; R278-S300 PolarHBondContact NE-O 2.76Å; S300-L304 VanDerWaalsContact O-CB 3.23Å; S300-L304 WeakPolarHBondContact O-CB 3.3Å
301K89.6Confident89.4Confident123 Ų12371.4 Ų71.454%0.53540%0.396SS..THydrogen-bonded Turntrans-70.2-43.5176.1-171.6177.5179.3174.60112.6N299N299-K301 PolarHBondContact O-N 2.78Å; N299-K301 VanDerWaalsContact OD1-CB 3.25Å; N299-K301 WeakPolarHBondContact OD1-CB 3.32Å; N299-K301 PolarHBondContact OD1-N 2.82Å
302D89.4Confident89.6Confident99 Ų9962.8 Ų62.853%0.52936%0.356SS..THydrogen-bonded Turntrans-108.5-32-168.3-55.8-40000111.8N299 P306N299-D302 PolarHBondContact ND2-OD2 3.27Å; N299-D302 PolarHBondContact O-N 2.9Å; N299-D302 VanDerWaalsContact O-N 3.09Å; D302-P306 WeakPolarHBondContact O-CD 3.47Å; D302-P306 WeakPolarHBondContact O-CG 3.24Å
303D92.2Very high89.7Confident61 Ų6165 Ų6533%0.32637%0.371SS..THydrogen-bonded Turntrans-98.9-17.8-169.6-58.9-35.6000113.9F298 N299 P306 L307F298-D303 HydrophobicContact CD2-CB 3.57Å; F298-D303 HydrophobicContact CE2-CB 3.39Å; F298-D303 HydrophobicContact CZ-CB 4.2Å; N299-D303 PolarHBondContact N-OD2 2.78Å; N299-D303 WeakPolarHBondContact O-CB 3.48Å; N299-D303 PolarHBondContact O-N 2.62Å; D303-P306 WeakPolarHBondContact O-CD 3.36Å; D303-L307 WeakPolarHBondContact O-CB 3.27Å; D303-L307 PolarHBondContact O-N 2.95Å
304L92.4Very high89.7Confident2 Ų267.8 Ų67.81%0.0137%0.369CS..Hα-helixtrans-66.7-42.8-171.9-175.161.8000113.1L205 R278 V281 L282 L285 F298 S300 L307 I308L205-L304 HydrophobicContact CD1-CD2 3.67Å; L205-L304 HydrophobicContact CD1-CG 3.91Å; L205-L304 HydrophobicContact CD2-CD2 3.91Å; L205-L304 HydrophobicContact CG-CD2 4.45Å; R278-L304 HydrophobicContact CB-CD2 3.91Å; R278-L304 HydrophobicContact CG-CD2 3.98Å; V281-L304 HydrophobicContact CB-CD2 4.33Å; V281-L304 HydrophobicContact CG1-CD1 4.43Å; V281-L304 HydrophobicContact CG1-CD2 4.22Å; L282-L304 HydrophobicContact CB-CD1 4.46Å; L282-L304 HydrophobicContact CD1-CD1 3.98Å; L285-L304 HydrophobicContact CD1-CD1 3.75Å; F298-L304 HydrophobicContact CZ-CB 4.25Å; F298-L304 HydrophobicContact CZ-CD1 4.11Å; S300-L304 VanDerWaalsContact O-CB 3.23Å; S300-L304 WeakPolarHBondContact O-CB 3.3Å; L304-L307 WeakPolarHBondContact O-CB 3.36Å; L304-L307 PolarHBondContact O-N 3.14Å; L304-I308 HydrophobicContact CG-CD1 4.23Å; L304-I308 VanDerWaalsContact O-CG1 3.28Å; L304-I308 WeakPolarHBondContact O-CG1 3.43Å; L304-I308 PolarHBondContact O-N 3.48Å
305V92.7Very high89.4Confident43 Ų4368.8 Ų68.826%0.26138%0.375SS..Hα-helixtrans-67.4-50.5177171.40000111.2L205 Q208 L307 I308 D309L205-V305 HydrophobicContact CD1-CG2 4.18Å; Q208-V305 HydrophobicContact CG-CG1 4.28Å; V305-L307 PolarHBondContact O-N 2.84Å; V305-I308 PolarHBondContact O-N 2.71Å; V305-I308 VanDerWaalsContact O-N 3.08Å; V305-D309 PolarHBondContact O-N 2.78Å
306P92.5Very high88.8Confident67 Ų6769.9 Ų69.944%0.43538%0.375SS..Hα-helixtrans-54.2-35.6172.7-28.334.3000114.2D302 D303 S310D302-P306 WeakPolarHBondContact O-CD 3.47Å; D302-P306 WeakPolarHBondContact O-CG 3.24Å; D303-P306 WeakPolarHBondContact O-CD 3.36Å; P306-S310 WeakPolarHBondContact O-CB 3.44Å; P306-S310 PolarHBondContact O-N 3.01Å; P306-S310 PolarHBondContact O-OG 2.78Å
307L92.4Very high87.6Confident36 Ų3661.6 Ų61.619%0.18836%0.356CS..Hα-helixtrans-65.8-46.1176.4177.964.3000112L292 L294 F298 D303 L304 V305 D309 S310 A311L292-L307 HydrophobicContact CD1-CD1 3.89Å; L292-L307 HydrophobicContact CD2-CD2 4.26Å; L294-L307 HydrophobicContact CD2-CD2 3.73Å; F298-L307 HydrophobicContact CE2-CB 4.32Å; F298-L307 HydrophobicContact CE2-CD2 3.67Å; F298-L307 HydrophobicContact CZ-CD2 3.83Å; D303-L307 WeakPolarHBondContact O-CB 3.27Å; D303-L307 PolarHBondContact O-N 2.95Å; L304-L307 WeakPolarHBondContact O-CB 3.36Å; L304-L307 PolarHBondContact O-N 3.14Å; V305-L307 PolarHBondContact O-N 2.84Å; L307-D309 VanDerWaalsContact C-N 3.35Å; L307-S310 PolarHBondContact O-N 2.74Å; L307-A311 WeakPolarHBondContact O-CB 3.49Å; L307-A311 PolarHBondContact O-N 2.81Å
308I92.5Very high85.5Confident1 Ų168.1 Ų68.11%0.00538%0.382CS..Hα-helixtrans-62.3-43.9176.5-66.3163000110.5L205 Q208 L212 V281 L285 L304 V305 S310 A311 C312L205-I308 HydrophobicContact CD1-CD1 3.61Å; Q208-I308 HydrophobicContact CB-CB 4.47Å; Q208-I308 HydrophobicContact CB-CG2 3.82Å; Q208-I308 WeakPolarHBondContact O-CG2 3.42Å; L212-I308 HydrophobicContact CB-CG2 4.06Å; L212-I308 HydrophobicContact CD2-CG2 4.29Å; V281-I308 HydrophobicContact CG1-CD1 3.87Å; L285-I308 HydrophobicContact CD1-CD1 4.24Å; L285-I308 HydrophobicContact CD1-CG1 3.66Å; L285-I308 HydrophobicContact CD2-CG1 4.25Å; L304-I308 HydrophobicContact CG-CD1 4.23Å; L304-I308 VanDerWaalsContact O-CG1 3.28Å; L304-I308 WeakPolarHBondContact O-CG1 3.43Å; L304-I308 PolarHBondContact O-N 3.48Å; V305-I308 PolarHBondContact O-N 2.71Å; V305-I308 VanDerWaalsContact O-N 3.08Å; I308-S310 VanDerWaalsContact C-N 3.35Å; I308-S310 PolarHBondContact O-N 2.91Å; I308-A311 PolarHBondContact O-N 2.93Å; I308-C312 PolarHBondContact O-N 3.32Å; I308-C312 PolarHBondContact O-SG 2.83Å
309D91Very high85.3Confident52 Ų5269.4 Ų69.428%0.27839%0.391SS..Hα-helixtrans-60.5-44.3176.4-82.9-41.3000111.9Q208 R211 V305 L307 A311 C312 V313Q208-D309 PolarHBondContact OE1-OD1 2.84Å; R211-D309 IonicContact NH1-OD1 2.69Å; R211-D309 PolarHBondContact NH1-OD1 3.4Å; V305-D309 PolarHBondContact O-N 2.78Å; L307-D309 VanDerWaalsContact C-N 3.35Å; D309-A311 VanDerWaalsContact C-N 3.33Å; D309-A311 PolarHBondContact O-N 2.75Å; D309-C312 WeakPolarHBondContact O-CB 3.1Å; D309-C312 PolarHBondContact O-N 3.08Å; D309-V313 WeakPolarHBondContact O-CG2 3.09Å; D309-V313 PolarHBondContact O-N 2.78Å
310S89.5Confident85Confident76 Ų7669.4 Ų69.453%0.53139%0.393SS..Hα-helixtrans-62.3-41.1176.7-59.10000111.7P306 L307 I308 V313 Y314P306-S310 WeakPolarHBondContact O-CB 3.44Å; P306-S310 PolarHBondContact O-N 3.01Å; P306-S310 PolarHBondContact O-OG 2.78Å; L307-S310 PolarHBondContact O-N 2.74Å; I308-S310 VanDerWaalsContact C-N 3.35Å; I308-S310 PolarHBondContact O-N 2.91Å; S310-V313 PolarHBondContact O-N 3.41Å; S310-Y314 WeakPolarHBondContact O-CB 3.32Å; S310-Y314 PolarHBondContact O-N 2.62Å
311A89.3Confident84.8Confident12 Ų1271.7 Ų71.710%0.09940%0.404CS..Hα-helixtrans-64.9-38.317500000112L212 L289 L307 I308 D309 N315L212-A311 HydrophobicContact CD1-CB 4.03Å; L212-A311 HydrophobicContact CD2-CB 4.35Å; L289-A311 HydrophobicContact CD1-CB 3.92Å; L307-A311 WeakPolarHBondContact O-CB 3.49Å; L307-A311 PolarHBondContact O-N 2.81Å; I308-A311 PolarHBondContact O-N 2.93Å; D309-A311 VanDerWaalsContact C-N 3.33Å; D309-A311 PolarHBondContact O-N 2.75Å; A311-N315 PolarHBondContact O-N 2.82Å; A311-N315 VanDerWaalsContact O-N 3.1Å; A311-N315 PolarHBondContact O-ND2 3.39Å
312C88.6Confident84.5Confident0 Ų068.7 Ų68.70%040%0.396CS..Hα-helixtrans-60.8-47.9173.6-680000111I215 I308 D309 N315 L316I215-C312 HydrophobicContact CD1-CB 3.57Å; I308-C312 PolarHBondContact O-N 3.32Å; I308-C312 PolarHBondContact O-SG 2.83Å; D309-C312 WeakPolarHBondContact O-CB 3.1Å; D309-C312 PolarHBondContact O-N 3.08Å; C312-N315 PolarHBondContact O-N 2.66Å; C312-L316 WeakPolarHBondContact O-CB 3.25Å; C312-L316 WeakPolarHBondContact O-CD1 3.21Å; C312-L316 WeakPolarHBondContact O-CG 3.21Å; C312-L316 PolarHBondContact O-N 3.21Å; C312-L316 VanDerWaalsContact O-N 3.09Å
313V88.5Confident84.2Confident93 Ų9366.8 Ų66.856%0.56439%0.388SS*.Hα-helixtrans-62.2-44.6179.9173.40000111.3D309 S310 N315 L316D309-V313 WeakPolarHBondContact O-CG2 3.09Å; D309-V313 PolarHBondContact O-N 2.78Å; S310-V313 PolarHBondContact O-N 3.41Å; V313-N315 PolarHBondContact O-N 2.95Å; V313-L316 PolarHBondContact O-N 2.97Å
314Y86.3Confident83.7Confident187 Ų18767.2 Ų67.273%0.73339%0.392SS*.Hα-helixtrans-62-42.6179.5-175.2-98.2000112.6S310 L316 G317S310-Y314 WeakPolarHBondContact O-CB 3.32Å; S310-Y314 PolarHBondContact O-N 2.62Å; Y314-L316 VanDerWaalsContact C-N 3.32Å; Y314-L316 PolarHBondContact O-N 3.09Å; Y314-G317 PolarHBondContact O-N 3.31Å
315N81.6Confident83.1Confident67 Ų6771.9 Ų71.936%0.35842%0.419SS..Hα-helixtrans-78.5-14.4-179.4-72.6-77.2000113.7I215 L216 A311 C312 V313 G317I215-N315 HydrophobicContact CG2-CB 3.61Å; L216-N315 HydrophobicContact CD2-CB 4.44Å; A311-N315 PolarHBondContact O-N 2.82Å; A311-N315 VanDerWaalsContact O-N 3.1Å; A311-N315 PolarHBondContact O-ND2 3.39Å; C312-N315 PolarHBondContact O-N 2.66Å; V313-N315 PolarHBondContact O-N 2.95Å; N315-G317 VanDerWaalsContact C-N 3.26Å; N315-G317 PolarHBondContact O-N 2.85Å
316L76.1Confident82.3Confident111 Ų11174.1 Ų74.158%0.58143%0.431SS*.THydrogen-bonded Turntrans-81.7-1.3174.7-76.2169000113.7I215 C312 V313 Y314I215-L316 HydrophobicContact CD1-CD1 3.82Å; I215-L316 HydrophobicContact CD1-CD2 4.26Å; I215-L316 HydrophobicContact CD1-CG 3.92Å; I215-L316 HydrophobicContact CG1-CD2 4.1Å; I215-L316 HydrophobicContact CG1-CG 4.27Å; I215-L316 HydrophobicContact CG2-CD2 4.22Å; I215-L316 HydrophobicContact CG2-CG 4.18Å; C312-L316 WeakPolarHBondContact O-CB 3.25Å; C312-L316 WeakPolarHBondContact O-CD1 3.21Å; C312-L316 WeakPolarHBondContact O-CG 3.21Å; C312-L316 PolarHBondContact O-N 3.21Å; C312-L316 VanDerWaalsContact O-N 3.09Å; V313-L316 PolarHBondContact O-N 2.97Å; Y314-L316 VanDerWaalsContact C-N 3.32Å; Y314-L316 PolarHBondContact O-N 3.09Å
317G57.4Low81.5Confident59 Ų5974.7 Ų74.761%0.60843%0.431SS*.  trans74.771.7163.900000114.8Y314 N315Y314-G317 PolarHBondContact O-N 3.31Å; N315-G317 VanDerWaalsContact C-N 3.26Å; N315-G317 PolarHBondContact O-N 2.85Å
318V44.4Very low80.5Confident202 Ų20278.2 Ų78.2100%1.22445%0.453SS*.  trans-77.90131-176.90000107.5

Retrieved 318 of 318 residues in 99.9 ms (Link to these results)